data_nef_2m2g

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    CYS   middle   -HG   .        
     8    A   8    ARG   middle   .     .        
     9    A   9    ARG   middle   .     .        
     10   A   10   GLY   middle   .     false    
     11   A   11   VAL   middle   .     .        
     12   A   12   CYS   middle   -HG   .        
     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   7    CYS   SG   A   12   CYS   SG    
     A   2    VAL   C    A   3    ABA   N     
     A   3    ABA   C    A   4    ARG   N     
     A   15   VAL   C    A   16   ABA   N     
     A   16   ABA   C    A   17   ARG   N     
     A   1    GLY   N    A   18   ARG   C     

   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   H1     H   1    8.472    0.001    
     A   1    GLY   CA     C   13   45.236   0.009    
     A   1    GLY   HAy    H   1    4.141    0.001    
     A   1    GLY   HAx    H   1    3.542    0.001    
     A   2    VAL   H      H   1    7.712    0.002    
     A   2    VAL   CA     C   13   61.551   0.000    
     A   2    VAL   HA     H   1    4.242    0.001    
     A   2    VAL   CB     C   13   33.964   0.000    
     A   2    VAL   HB     H   1    2.067    0.002    
     A   2    VAL   CGx    C   13   20.404   0.000    
     A   2    VAL   CGy    C   13   20.404   0.000    
     A   2    VAL   HGx%   H   1    0.916    0.011    
     A   2    VAL   HGy%   H   1    0.916    0.011    
     A   3    ABA   H      H   1    8.882    0.001    
     A   3    ABA   CA     C   13   57.586   0.000    
     A   3    ABA   HA     H   1    4.626    0.001    
     A   3    ABA   CB     C   13   27.598   0.007    
     A   3    ABA   HBy    H   1    1.733    0.002    
     A   3    ABA   HBx    H   1    1.652    0.001    
     A   3    ABA   HG%    H   1    0.812    0.002    
     A   4    ARG   H      H   1    8.683    0.001    
     A   4    ARG   CA     C   13   54.793   0.000    
     A   4    ARG   HA     H   1    4.718    0.001    
     A   4    ARG   CB     C   13   32.435   0.000    
     A   4    ARG   HBx    H   1    1.806    0.005    
     A   4    ARG   HBy    H   1    1.806    0.005    
     A   4    ARG   CG     C   13   27.236   0.000    
     A   4    ARG   HGy    H   1    1.652    0.001    
     A   4    ARG   HGx    H   1    1.542    0.001    
     A   4    ARG   CD     C   13   43.220   0.000    
     A   4    ARG   HDx    H   1    3.214    0.002    
     A   4    ARG   HDy    H   1    3.214    0.002    
     A   4    ARG   HE     H   1    7.191    0.000    
     A   5    CYS   H      H   1    9.120    0.001    
     A   5    CYS   CA     C   13   55.481   0.000    
     A   5    CYS   HA     H   1    5.532    0.001    
     A   5    CYS   CB     C   13   48.134   0.007    
     A   5    CYS   HBx    H   1    2.607    0.006    
     A   5    CYS   HBy    H   1    3.098    0.003    
     A   6    VAL   H      H   1    8.677    0.004    
     A   6    VAL   CA     C   13   61.727   0.000    
     A   6    VAL   HA     H   1    4.325    0.006    
     A   6    VAL   CB     C   13   35.451   0.000    
     A   6    VAL   HB     H   1    2.020    0.002    
     A   6    VAL   CGx    C   13   20.956   0.000    
     A   6    VAL   CGy    C   13   20.956   0.000    
     A   6    VAL   HGx%   H   1    0.922    0.001    
     A   6    VAL   HGy%   H   1    0.922    0.001    
     A   7    CYS   H      H   1    9.146    0.001    
     A   7    CYS   CA     C   13   55.361   0.000    
     A   7    CYS   HA     H   1    5.592    0.002    
     A   7    CYS   CB     C   13   48.167   0.000    
     A   7    CYS   HBx    H   1    2.644    0.004    
     A   7    CYS   HBy    H   1    3.118    0.002    
     A   8    ARG   H      H   1    8.689    0.003    
     A   8    ARG   CA     C   13   55.523   0.000    
     A   8    ARG   HA     H   1    4.516    0.001    
     A   8    ARG   CB     C   13   32.786   0.000    
     A   8    ARG   HBx    H   1    1.791    0.002    
     A   8    ARG   HBy    H   1    1.791    0.002    
     A   8    ARG   CG     C   13   27.351   0.011    
     A   8    ARG   HGy    H   1    1.637    0.001    
     A   8    ARG   HGx    H   1    1.535    0.001    
     A   8    ARG   CD     C   13   43.191   0.000    
     A   8    ARG   HDx    H   1    3.209    0.007    
     A   8    ARG   HDy    H   1    3.209    0.007    
     A   8    ARG   HE     H   1    7.226    0.000    
     A   9    ARG   H      H   1    9.577    0.002    
     A   9    ARG   CA     C   13   56.921   0.000    
     A   9    ARG   HA     H   1    3.915    0.001    
     A   9    ARG   CB     C   13   28.128   0.000    
     A   9    ARG   HBx    H   1    1.823    0.004    
     A   9    ARG   HBy    H   1    2.063    0.002    
     A   9    ARG   CG     C   13   27.775   0.000    
     A   9    ARG   HGx    H   1    1.631    0.002    
     A   9    ARG   HGy    H   1    1.631    0.002    
     A   9    ARG   CD     C   13   43.321   0.000    
     A   9    ARG   HDx    H   1    3.228    0.003    
     A   9    ARG   HDy    H   1    3.228    0.003    
     A   9    ARG   HE     H   1    7.228    0.000    
     A   10   GLY   H      H   1    8.683    0.002    
     A   10   GLY   CA     C   13   45.228   0.017    
     A   10   GLY   HAy    H   1    4.176    0.004    
     A   10   GLY   HAx    H   1    3.605    0.001    
     A   11   VAL   H      H   1    7.809    0.001    
     A   11   VAL   CA     C   13   61.819   0.000    
     A   11   VAL   HA     H   1    4.277    0.002    
     A   11   VAL   CB     C   13   33.352   0.000    
     A   11   VAL   HB     H   1    2.140    0.002    
     A   11   VAL   CGx    C   13   20.680   0.000    
     A   11   VAL   CGy    C   13   20.680   0.000    
     A   11   VAL   HGx%   H   1    0.940    0.002    
     A   11   VAL   HGy%   H   1    0.940    0.002    
     A   12   CYS   H      H   1    9.112    0.001    
     A   12   CYS   CA     C   13   55.373   0.000    
     A   12   CYS   HA     H   1    5.429    0.005    
     A   12   CYS   CB     C   13   46.895   0.000    
     A   12   CYS   HBx    H   1    2.626    0.003    
     A   12   CYS   HBy    H   1    3.026    0.001    
     A   13   ARG   H      H   1    8.718    0.002    
     A   13   ARG   CA     C   13   55.079   0.000    
     A   13   ARG   HA     H   1    4.670    0.002    
     A   13   ARG   CB     C   13   32.285   0.000    
     A   13   ARG   HBx    H   1    1.833    0.007    
     A   13   ARG   HBy    H   1    1.833    0.007    
     A   13   ARG   CG     C   13   27.259   0.007    
     A   13   ARG   HGy    H   1    1.665    0.003    
     A   13   ARG   HGx    H   1    1.572    0.002    
     A   13   ARG   CD     C   13   43.307   0.000    
     A   13   ARG   HDx    H   1    3.213    0.004    
     A   13   ARG   HDy    H   1    3.213    0.004    
     A   13   ARG   HE     H   1    7.194    0.000    
     A   14   CYS   H      H   1    9.138    0.001    
     A   14   CYS   CA     C   13   55.526   0.000    
     A   14   CYS   HA     H   1    5.559    0.001    
     A   14   CYS   CB     C   13   47.597   0.007    
     A   14   CYS   HBx    H   1    2.613    0.002    
     A   14   CYS   HBy    H   1    3.056    0.001    
     A   15   VAL   H      H   1    8.673    0.003    
     A   15   VAL   CA     C   13   60.791   0.000    
     A   15   VAL   HA     H   1    4.365    0.004    
     A   15   VAL   CB     C   13   34.371   0.000    
     A   15   VAL   HB     H   1    2.026    0.008    
     A   15   VAL   CGx    C   13   20.696   0.000    
     A   15   VAL   CGy    C   13   20.696   0.000    
     A   15   VAL   HGx%   H   1    0.954    0.006    
     A   15   VAL   HGy%   H   1    0.954    0.006    
     A   16   ABA   H      H   1    8.799    0.001    
     A   16   ABA   CA     C   13   56.866   0.000    
     A   16   ABA   HA     H   1    4.839    0.003    
     A   16   ABA   CB     C   13   27.742   0.018    
     A   16   ABA   HBy    H   1    1.675    0.003    
     A   16   ABA   HBx    H   1    1.563    0.002    
     A   16   ABA   HG%    H   1    0.694    0.002    
     A   17   ARG   H      H   1    8.490    0.002    
     A   17   ARG   CA     C   13   55.068   0.000    
     A   17   ARG   HA     H   1    4.597    0.000    
     A   17   ARG   CB     C   13   32.535   0.000    
     A   17   ARG   HBx    H   1    1.763    0.002    
     A   17   ARG   HBy    H   1    1.763    0.002    
     A   17   ARG   CG     C   13   27.332   0.007    
     A   17   ARG   HGy    H   1    1.648    0.002    
     A   17   ARG   HGx    H   1    1.521    0.001    
     A   17   ARG   CD     C   13   43.191   0.000    
     A   17   ARG   HDx    H   1    3.217    0.007    
     A   17   ARG   HDy    H   1    3.217    0.007    
     A   17   ARG   HE     H   1    7.248    0.000    
     A   18   ARG   H      H   1    9.576    0.002    
     A   18   ARG   CA     C   13   56.907   0.000    
     A   18   ARG   HA     H   1    3.918    0.004    
     A   18   ARG   CB     C   13   28.128   0.000    
     A   18   ARG   HBx    H   1    1.831    0.003    
     A   18   ARG   HBy    H   1    2.074    0.004    
     A   18   ARG   CG     C   13   27.731   0.000    
     A   18   ARG   HGx    H   1    1.629    0.004    
     A   18   ARG   HGy    H   1    1.629    0.004    
     A   18   ARG   CD     C   13   43.307   0.000    
     A   18   ARG   HDx    H   1    3.234    0.006    
     A   18   ARG   HDy    H   1    3.234    0.006    
     A   18   ARG   HE     H   1    7.229    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   2    VAL   H      A   2    VAL   HB     1.0   2.66    .   .   1.80   3.52   .    
     2     2     .   A   1    GLY   H      A   1    GLY   HAx    1.0   2.315   .   .   1.80   2.83   .    
     3     3     .   A   1    GLY   H      A   1    GLY   HAy    1.0   2.315   .   .   1.80   2.83   .    
     4     4     .   A   3    ABA   H      A   3    ABA   HBy    1.0   2.845   .   .   1.80   3.89   .    
     5     5     .   A   3    ABA   H      A   3    ABA   HBx    1.0   2.845   .   .   1.80   3.89   .    
     6     6     .   A   18   ARG   H      A   18   ARG   HA     1.0   2.145   .   .   1.80   2.49   .    
     7     7     .   A   9    ARG   H      A   9    ARG   HA     1.0   2.13    .   .   1.80   2.46   .    
     8     8     .   A   9    ARG   H      A   9    ARG   HBy    1.0   2.985   .   .   1.80   4.17   .    
     9     9     .   A   10   GLY   H      A   10   GLY   HAx    1.0   2.3     .   .   1.8    2.8    .    
     10    10    .   A   10   GLY   H      A   10   GLY   HAy    1.0   2.3     .   .   1.8    2.8    .    
     11    11    .   A   11   VAL   H      A   11   VAL   HB     1.0   2.905   .   .   1.80   4.01   .    
     12    12    .   A   12   CYS   H      A   12   CYS   HBx    1.0   2.635   .   .   1.80   3.47   .    
     13    13    .   A   12   CYS   H      A   12   CYS   HBy    1.0   2.765   .   .   1.80   3.73   .    
     14    14    .   A   14   CYS   H      A   14   CYS   HBy    1.0   2.765   .   .   1.80   3.73   .    
     15    15    .   A   14   CYS   H      A   14   CYS   HBx    1.0   2.635   .   .   1.80   3.47   .    
     16    16    .   A   5    CYS   H      A   5    CYS   HBx    1.0   2.635   .   .   1.80   3.47   .    
     17    17    .   A   5    CYS   H      A   5    CYS   HBy    1.0   2.765   .   .   1.80   3.73   .    
     18    18    .   A   7    CYS   H      A   7    CYS   HBx    1.0   2.765   .   .   1.80   3.73   .    
     19    19    .   A   7    CYS   H      A   7    CYS   HBy    1.0   2.92    .   .   1.80   4.04   .    
     20    20    .   A   15   VAL   H      A   15   VAL   HB     1.0   2.52    .   .   1.80   3.24   .    
     21    21    .   A   6    VAL   H      A   6    VAL   HB     1.0   2.505   .   .   1.80   3.21   .    
     22    22    .   A   8    ARG   H      A   8    ARG   HBx    1.0   2.99    .   .   1.80   4.18   .    
     23    22    .   A   8    ARG   H      A   8    ARG   HBy    1.0   2.99    .   .   1.80   4.18   .    
     24    23    .   A   1    GLY   H      A   2    VAL   H      1.0   2.395   .   .   1.80   2.99   .    
     25    24    .   A   1    GLY   H      A   18   ARG   HA     1.0   2.3     .   .   1.8    2.8    .    
     26    25    .   A   2    VAL   HA     A   3    ABA   H      1.0   2.115   .   .   1.80   2.43   .    
     27    26    .   A   3    ABA   HA     A   4    ARG   H      1.0   2.255   .   .   1.80   2.71   .    
     28    27    .   A   4    ARG   H      A   16   ABA   HA     1.0   2.815   .   .   1.80   3.83   .    
     29    28    .   A   4    ARG   HA     A   5    CYS   H      1.0   2.41    .   .   1.80   3.02   .    
     30    29    .   A   4    ARG   HBx    A   5    CYS   H      1.0   3.965   .   .   1.80   6.13   .    
     31    29    .   A   4    ARG   HBy    A   5    CYS   H      1.0   3.965   .   .   1.80   6.13   .    
     32    30    .   A   5    CYS   HA     A   6    VAL   H      1.0   2.18    .   .   1.80   2.56   .    
     33    31    .   A   5    CYS   HA     A   15   VAL   H      1.0   2.18    .   .   1.80   2.56   .    
     34    32    .   A   5    CYS   HBy    A   6    VAL   H      1.0   2.44    .   .   1.80   3.08   .    
     35    33    .   A   5    CYS   HBx    A   6    VAL   H      1.0   2.765   .   .   1.80   3.73   .    
     36    34    .   A   5    CYS   HA     A   5    CYS   HBy    1.0   2.285   .   .   1.80   2.77   .    
     37    35    .   A   6    VAL   HA     A   7    CYS   H      1.0   2.58    .   .   1.80   3.36   .    
     38    36    .   A   6    VAL   H      A   14   CYS   HA     1.0   2.455   .   .   1.80   3.11   .    
     39    37    .   A   7    CYS   HA     A   13   ARG   H      1.0   2.66    .   .   1.80   3.52   .    
     40    38    .   A   7    CYS   HA     A   8    ARG   H      1.0   2.1     .   .   1.8    2.4    .    
     41    39    .   A   7    CYS   HA     A   12   CYS   HA     1.0   2.145   .   .   2.00   2.49   .    
     42    40    .   A   7    CYS   HBx    A   8    ARG   H      1.0   2.845   .   .   1.80   3.89   .    
     43    41    .   A   7    CYS   HBy    A   8    ARG   H      1.0   2.41    .   .   1.80   3.02   .    
     44    42    .   A   8    ARG   H      A   11   VAL   H      1.0   2.365   .   .   1.80   2.93   .    
     45    43    .   A   8    ARG   H      A   12   CYS   HA     1.0   2.455   .   .   1.80   3.11   .    
     46    44    .   A   8    ARG   HA     A   9    ARG   H      1.0   2.18    .   .   1.80   2.56   .    
     47    45    .   A   9    ARG   H      A   10   GLY   H      1.0   2.89    .   .   1.80   3.98   .    
     48    46    .   A   9    ARG   HA     A   10   GLY   H      1.0   2.41    .   .   1.80   3.02   .    
     49    47    .   A   9    ARG   HA     A   9    ARG   HBy    1.0   2.35    .   .   1.8    2.9    .    
     50    48    .   A   10   GLY   H      A   11   VAL   H      1.0   2.395   .   .   1.80   2.99   .    
     51    49    .   A   11   VAL   HA     A   12   CYS   H      1.0   2.285   .   .   1.80   2.77   .    
     52    50    .   A   12   CYS   H      A   13   ARG   HBx    1.0   3.315   .   .   1.80   4.83   .    
     53    50    .   A   12   CYS   H      A   13   ARG   HBy    1.0   3.315   .   .   1.80   4.83   .    
     54    51    .   A   12   CYS   HA     A   13   ARG   H      1.0   2.315   .   .   1.80   2.83   .    
     55    52    .   A   12   CYS   HBy    A   13   ARG   H      1.0   2.89    .   .   1.80   3.98   .    
     56    53    .   A   13   ARG   HA     A   14   CYS   H      1.0   2.335   .   .   1.80   2.87   .    
     57    54    .   A   14   CYS   HA     A   15   VAL   H      1.0   2.1     .   .   1.8    2.4    .    
     58    55    .   A   14   CYS   HBx    A   15   VAL   H      1.0   3.185   .   .   1.80   4.57   .    
     59    56    .   A   14   CYS   HBy    A   15   VAL   H      1.0   2.505   .   .   1.80   3.21   .    
     60    57    .   A   14   CYS   HA     A   14   CYS   HBy    1.0   2.315   .   .   1.80   2.83   .    
     61    58    .   A   15   VAL   HA     A   16   ABA   H      1.0   2.21    .   .   1.80   2.62   .    
     62    59    .   A   15   VAL   HB     A   16   ABA   H      1.0   3.03    .   .   1.80   4.26   .    
     63    60    .   A   16   ABA   HA     A   17   ARG   H      1.0   2.27    .   .   1.80   2.74   .    
     64    61    .   A   2    VAL   H      A   17   ARG   H      1.0   2.705   .   .   1.80   3.61   .    
     65    62    .   A   17   ARG   HA     A   18   ARG   H      1.0   2.195   .   .   1.80   2.59   .    
     66    63    .   A   1    GLY   H      A   18   ARG   H      1.0   2.845   .   .   1.80   3.89   .    
     67    64    .   A   18   ARG   HA     A   18   ARG   HBy    1.0   2.335   .   .   1.80   2.87   .    
     68    65    .   A   17   ARG   H      A   17   ARG   HDx    1.0   4.09    .   .   1.80   6.38   .    
     69    65    .   A   17   ARG   H      A   17   ARG   HDy    1.0   4.09    .   .   1.80   6.38   .    
     70    66    .   A   17   ARG   H      A   17   ARG   HGx    1.0   3.65    .   .   1.8    5.5    .    
     71    67    .   A   17   ARG   H      A   17   ARG   HGy    1.0   3.65    .   .   1.8    5.5    .    
     72    68    .   A   18   ARG   H      A   18   ARG   HDx    1.0   4.09    .   .   1.80   6.38   .    
     73    68    .   A   18   ARG   H      A   18   ARG   HDy    1.0   4.09    .   .   1.80   6.38   .    
     74    69    .   A   18   ARG   H      A   18   ARG   HGx    1.0   3.69    .   .   1.80   5.58   .    
     75    69    .   A   18   ARG   H      A   18   ARG   HGy    1.0   3.69    .   .   1.80   5.58   .    
     76    70    .   A   9    ARG   H      A   9    ARG   HDx    1.0   4.09    .   .   1.80   6.38   .    
     77    70    .   A   9    ARG   H      A   9    ARG   HDy    1.0   4.09    .   .   1.80   6.38   .    
     78    71    .   A   9    ARG   H      A   9    ARG   HGx    1.0   3.75    .   .   1.8    5.7    .    
     79    71    .   A   9    ARG   H      A   9    ARG   HGy    1.0   3.75    .   .   1.8    5.7    .    
     80    72    .   A   13   ARG   H      A   13   ARG   HDx    1.0   4.09    .   .   1.80   6.38   .    
     81    72    .   A   13   ARG   H      A   13   ARG   HDy    1.0   4.09    .   .   1.80   6.38   .    
     82    73    .   A   13   ARG   H      A   13   ARG   HGx    1.0   3.65    .   .   1.8    5.5    .    
     83    74    .   A   13   ARG   H      A   13   ARG   HGy    1.0   3.65    .   .   1.8    5.5    .    
     84    75    .   A   4    ARG   H      A   4    ARG   HDx    1.0   4.09    .   .   1.80   6.38   .    
     85    75    .   A   4    ARG   H      A   4    ARG   HDy    1.0   4.09    .   .   1.80   6.38   .    
     86    76    .   A   4    ARG   H      A   4    ARG   HGx    1.0   3.65    .   .   1.8    5.5    .    
     87    77    .   A   4    ARG   H      A   4    ARG   HGy    1.0   3.65    .   .   1.8    5.5    .    
     88    78    .   A   8    ARG   H      A   8    ARG   HDx    1.0   4.09    .   .   1.80   6.38   .    
     89    78    .   A   8    ARG   H      A   8    ARG   HDy    1.0   4.09    .   .   1.80   6.38   .    
     90    79    .   A   8    ARG   H      A   8    ARG   HGx    1.0   3.65    .   .   1.8    5.5    .    
     91    80    .   A   8    ARG   H      A   8    ARG   HGy    1.0   3.65    .   .   1.8    5.5    .    
     92    81    .   A   7    CYS   H      A   13   ARG   HBx    1.0   4.09    .   .   1.80   6.38   .    
     93    81    .   A   7    CYS   H      A   13   ARG   HBy    1.0   4.09    .   .   1.80   6.38   .    
     94    82    .   A   9    ARG   HA     A   9    ARG   HDx    1.0   4.09    .   .   1.80   6.38   .    
     95    82    .   A   9    ARG   HA     A   9    ARG   HDy    1.0   4.09    .   .   1.80   6.38   .    
     96    83    .   A   18   ARG   HA     A   18   ARG   HDx    1.0   4.09    .   .   1.80   6.38   .    
     97    83    .   A   18   ARG   HA     A   18   ARG   HDy    1.0   4.09    .   .   1.80   6.38   .    
     98    84    .   A   2    VAL   H      A   2    VAL   HGx%   1.0   4.7     .   .   1.8    7.6    .    
     99    84    .   A   2    VAL   H      A   2    VAL   HGy%   1.0   4.7     .   .   1.8    7.6    .    
     100   85    .   A   3    ABA   H      A   3    ABA   HG%    1.0   4.16    .   .   1.80   6.52   .    
     101   86    .   A   16   ABA   H      A   16   ABA   HG%    1.0   4.16    .   .   1.80   6.52   .    
     102   87    .   A   11   VAL   H      A   11   VAL   HGx%   1.0   4.7     .   .   1.8    7.6    .    
     103   87    .   A   11   VAL   H      A   11   VAL   HGy%   1.0   4.7     .   .   1.8    7.6    .    
     104   88    .   A   15   VAL   H      A   15   VAL   HGx%   1.0   4.7     .   .   1.8    7.6    .    
     105   88    .   A   15   VAL   H      A   15   VAL   HGy%   1.0   4.7     .   .   1.8    7.6    .    
     106   89    .   A   6    VAL   H      A   6    VAL   HGx%   1.0   4.685   .   .   1.80   7.57   .    
     107   89    .   A   6    VAL   H      A   6    VAL   HGy%   1.0   4.685   .   .   1.80   7.57   .    
     108   90    .   A   3    ABA   HG%    A   4    ARG   H      1.0   3.725   .   .   1.80   5.65   .    
     109   91    .   A   3    ABA   HG%    A   5    CYS   HBy    1.0   4.16    .   .   1.80   6.52   .    
     110   92    .   A   5    CYS   H      A   6    VAL   HGx%   1.0   4.7     .   .   1.8    7.6    .    
     111   92    .   A   5    CYS   H      A   6    VAL   HGy%   1.0   4.7     .   .   1.8    7.6    .    
     112   93    .   A   11   VAL   HGx%   A   12   CYS   H      1.0   4.7     .   .   1.8    7.6    .    
     113   93    .   A   11   VAL   HGy%   A   12   CYS   H      1.0   4.7     .   .   1.8    7.6    .    
     114   94    .   A   16   ABA   HG%    A   17   ARG   H      1.0   3.29    .   .   1.80   4.78   .    
     115   95    .   A   2    VAL   HGx%   A   3    ABA   H      1.0   4.7     .   .   1.8    7.6    .    
     116   95    .   A   2    VAL   HGy%   A   3    ABA   H      1.0   4.7     .   .   1.8    7.6    .    
     117   96    .   A   1    GLY   H      A   1    GLY   HAy    1.0   2.125   .   .   1.80   2.45   .    
     118   96    .   A   1    GLY   H      A   1    GLY   HAx    1.0   2.125   .   .   1.80   2.45   .    
     119   97    .   A   3    ABA   H      A   3    ABA   HBx    1.0   2.475   .   .   1.80   3.15   .    
     120   97    .   A   3    ABA   H      A   3    ABA   HBy    1.0   2.475   .   .   1.80   3.15   .    
     121   98    .   A   8    ARG   H      A   8    ARG   HGy    1.0   3.275   .   .   1.80   4.75   .    
     122   98    .   A   8    ARG   H      A   8    ARG   HGx    1.0   3.275   .   .   1.80   4.75   .    
     123   99    .   A   13   ARG   HGy    A   17   ARG   HDx    1.0   3.98    .   .   1.80   6.16   .    
     124   99    .   A   13   ARG   HGy    A   17   ARG   HDy    1.0   3.98    .   .   1.80   6.16   .    
     125   99    .   A   13   ARG   HGx    A   17   ARG   HDx    1.0   3.98    .   .   1.80   6.16   .    
     126   99    .   A   13   ARG   HGx    A   17   ARG   HDy    1.0   3.98    .   .   1.80   6.16   .    
     127   100   .   A   16   ABA   H      A   16   ABA   HBx    1.0   2.695   .   .   1.80   3.59   .    
     128   100   .   A   16   ABA   H      A   16   ABA   HBy    1.0   2.695   .   .   1.80   3.59   .    

   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   5   CYS   HA   A   14   CYS   HA   1.0   2.145   .   .   2.0   102.145   .    

   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   6   VAL   H   A   13   ARG   O   1.0   1.9   .   .   1.8   2.0   .    
     6    6    .   A   6   VAL   N   A   13   ARG   O   1.0   2.4   .   .   1.8   3.0   .    
     7    7    .   A   6   VAL   O   A   13   ARG   H   1.0   1.9   .   .   1.8   2.0   .    
     8    8    .   A   6   VAL   O   A   13   ARG   N   1.0   2.4   .   .   1.8   3.0   .    
     9    9    .   A   8   ARG   H   A   11   VAL   O   1.0   1.9   .   .   1.8   2.0   .    
     10   10   .   A   8   ARG   N   A   11   VAL   O   1.0   2.4   .   .   1.8   3.0   .    
     11   11   .   A   8   ARG   O   A   11   VAL   H   1.0   1.9   .   .   1.8   2.0   .    
     12   12   .   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   -88.8    .   .   -141.6   -36.0    .   PHI     
     2    2    .   A   2    VAL   N   A   2    VAL   CA   A   2    VAL   C    A   3    ABA   N    1.0   128.8    .   .   89.6     168.0    .   PSI     
     3    3    .   A   2    VAL   C   A   3    ABA   N    A   3    ABA   CA   A   3    ABA   C    1.0   -104.7   .   .   -151.0   -58.4    .   PHI     
     4    4    .   A   3    ABA   N   A   3    ABA   CA   A   3    ABA   C    A   4    ARG   N    1.0   121.6    .   .   79.3     163.9    .   PSI     
     5    5    .   A   3    ABA   C   A   4    ARG   N    A   4    ARG   CA   A   4    ARG   C    1.0   -108.5   .   .   -154.5   -62.5    .   PHI     
     6    6    .   A   4    ARG   N   A   4    ARG   CA   A   4    ARG   C    A   5    CYS   N    1.0   142.4    .   .   106.2    178.6    .   PSI     
     7    7    .   A   4    ARG   C   A   5    CYS   N    A   5    CYS   CA   A   5    CYS   C    1.0   -135.1   .   .   -173.6   -96.6    .   PHI     
     8    8    .   A   5    CYS   N   A   5    CYS   CA   A   5    CYS   C    A   6    VAL   N    1.0   149.8    .   .   123.2    176.4    .   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   -131.4   .   .   -155.9   -106.9   .   PHI     
     11   11   .   A   6    VAL   N   A   6    VAL   CA   A   6    VAL   C    A   7    CYS   N    1.0   133.8    .   .   106.7    160.9    .   PSI     
     12   12   .   A   6    VAL   C   A   7    CYS   N    A   7    CYS   CA   A   7    CYS   C    1.0   -138.5   .   .   -172.2   -104.8   .   PHI     
     13   13   .   A   7    CYS   N   A   7    CYS   CA   A   7    CYS   C    A   8    ARG   N    1.0   141.9    .   .   122.0    161.8    .   PSI     
     14   14   .   A   7    CYS   N   A   7    CYS   CA   A   7    CYS   CB   A   7    CYS   SG   1.0   -60.0    .   .   -90.0    -30.0    .   CHI1    
     15   15   .   A   7    CYS   C   A   8    ARG   N    A   8    ARG   CA   A   8    ARG   C    1.0   -123.8   .   .   -191.2   -56.4    .   PHI     
     16   16   .   A   8    ARG   N   A   8    ARG   CA   A   8    ARG   C    A   9    ARG   N    1.0   139.7    .   .   106.6    172.8    .   PSI     
     17   17   .   A   8    ARG   C   A   9    ARG   N    A   9    ARG   CA   A   9    ARG   C    1.0   50.0     .   .   10.0     90.0     .   PHI     
     18   18   .   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    
     19   19   .   A   9    ARG   C   A   10   GLY   N    A   10   GLY   CA   A   10   GLY   C    1.0   84.9     .   .   63.8     106.0    .   PHI     
     20   20   .   A   10   GLY   N   A   10   GLY   CA   A   10   GLY   C    A   11   VAL   N    1.0   -6.7     .   .   -31.4    18.0     .   PSI     
     21   21   .   A   10   GLY   C   A   11   VAL   N    A   11   VAL   CA   A   11   VAL   C    1.0   -95.9    .   .   -141.6   -50.2    .   PHI     
     22   22   .   A   11   VAL   N   A   11   VAL   CA   A   11   VAL   C    A   12   CYS   N    1.0   149.5    .   .   122.7    176.3    .   PSI     
     23   23   .   A   11   VAL   C   A   12   CYS   N    A   12   CYS   CA   A   12   CYS   C    1.0   -121.8   .   .   -164.9   -78.7    .   PHI     
     24   24   .   A   12   CYS   N   A   12   CYS   CA   A   12   CYS   C    A   13   ARG   N    1.0   142.2    .   .   120.5    163.9    .   PSI     
     25   25   .   A   12   CYS   N   A   12   CYS   CA   A   12   CYS   CB   A   12   CYS   SG   1.0   -60.0    .   .   -90.0    -30.0    .   CHI1    
     26   26   .   A   12   CYS   C   A   13   ARG   N    A   13   ARG   CA   A   13   ARG   C    1.0   -125.9   .   .   -162.5   -89.3    .   PHI     
     27   27   .   A   13   ARG   N   A   13   ARG   CA   A   13   ARG   C    A   14   CYS   N    1.0   137.7    .   .   104.3    171.1    .   PSI     
     28   28   .   A   13   ARG   C   A   14   CYS   N    A   14   CYS   CA   A   14   CYS   C    1.0   -138.9   .   .   -191.8   -86.0    .   PHI     
     29   29   .   A   14   CYS   N   A   14   CYS   CA   A   14   CYS   C    A   15   VAL   N    1.0   144.2    .   .   109.0    179.4    .   PSI     
     30   30   .   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    
     31   31   .   A   14   CYS   C   A   15   VAL   N    A   15   VAL   CA   A   15   VAL   C    1.0   -106.7   .   .   -141.0   -72.4    .   PHI     
     32   32   .   A   15   VAL   N   A   15   VAL   CA   A   15   VAL   C    A   16   ABA   N    1.0   138.1    .   .   110.5    165.7    .   PSI     
     33   33   .   A   15   VAL   C   A   16   ABA   N    A   16   ABA   CA   A   16   ABA   C    1.0   -113.0   .   .   -160.0   -66.0    .   PHI     
     34   34   .   A   16   ABA   N   A   16   ABA   CA   A   16   ABA   C    A   17   ARG   N    1.0   127.1    .   .   83.1     171.1    .   PSI     
     35   35   .   A   17   ARG   C   A   18   ARG   N    A   18   ARG   CA   A   18   ARG   C    1.0   50.0     .   .   10.0     90.0     .   PHI     
     36   36   .   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_
