data_c30168_5t6v_nmr-data-str

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

   loop_
      _nef_related_entries.database_name
      _nef_related_entries.database_accession_code

     BMRB   30167    
     PDB    5T6V     

   stop_

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    SER   start    .   .        
     2    A   2    THR   middle   .   .        
     3    A   3    CYS   middle   .   .        
     4    A   4    CYS   middle   .   .        
     5    A   5    GLY   middle   .   false    
     6    A   6    TYR   middle   .   .        
     7    A   7    ARG   middle   .   .        
     8    A   8    MET   middle   .   .        
     9    A   9    CYS   middle   .   .        
     10   A   10   VAL   middle   .   .        
     11   A   11   PRO   middle   .   true     
     12   A   12   CYS   middle   .   .        
     13   A   13   NH2   end      .   .        

   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   3   CYS   SG   A   9    CYS   SG    
     A   4   CYS   SG   A   12   CYS   SG    

   stop_

save_

save_assigned_chemical_shifts_1
   _nef_chemical_shift_list.sf_category   nef_chemical_shift_list
   _nef_chemical_shift_list.sf_framecode  assigned_chemical_shifts_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    SER   HA     H   1   4.589   0.013    
     A   1    SER   HBx    H   1   3.854   0.001    
     A   1    SER   HBy    H   1   3.854   0.001    
     A   2    THR   HA     H   1   4.149   0.029    
     A   2    THR   HB     H   1   3.913   0.039    
     A   2    THR   HG21   H   1   1.292   0.024    
     A   2    THR   HG22   H   1   1.292   0.024    
     A   2    THR   HG23   H   1   1.292   0.024    
     A   3    CYS   H      H   1   8.578   0.004    
     A   3    CYS   HA     H   1   4.821   0.011    
     A   3    CYS   HB2    H   1   3.211   0.005    
     A   3    CYS   HB3    H   1   2.999   0.017    
     A   4    CYS   H      H   1   9.185   0.002    
     A   4    CYS   HA     H   1   4.879   0.008    
     A   4    CYS   HB2    H   1   3.197   0.008    
     A   4    CYS   HB3    H   1   2.872   0.003    
     A   5    GLY   H      H   1   8.229   0.003    
     A   5    GLY   HA2    H   1   4.441   0.010    
     A   5    GLY   HA3    H   1   3.641   0.009    
     A   6    TYR   H      H   1   8.392   0.025    
     A   6    TYR   HA     H   1   4.651   0.001    
     A   6    TYR   HBx    H   1   2.966   0.003    
     A   6    TYR   HBy    H   1   2.966   0.003    
     A   6    TYR   HDx    H   1   7.133   0.006    
     A   6    TYR   HDy    H   1   7.133   0.006    
     A   6    TYR   HEx    H   1   6.807   0.023    
     A   6    TYR   HEy    H   1   6.807   0.023    
     A   7    ARG   H      H   1   8.604   0.009    
     A   7    ARG   HA     H   1   4.663   0.003    
     A   7    ARG   HBx    H   1   1.792   0.005    
     A   7    ARG   HBy    H   1   1.792   0.005    
     A   7    ARG   HDx    H   1   3.833   0.000    
     A   7    ARG   HDy    H   1   3.833   0.000    
     A   7    ARG   HGx    H   1   1.662   0.002    
     A   7    ARG   HGy    H   1   1.662   0.002    
     A   7    ARG   HH1x   H   1   7.767   0.060    
     A   7    ARG   HH1y   H   1   7.767   0.060    
     A   7    ARG   HH2x   H   1   7.248   0.001    
     A   7    ARG   HH2y   H   1   7.248   0.001    
     A   8    MET   H      H   1   7.628   0.002    
     A   8    MET   HA     H   1   4.432   0.004    
     A   8    MET   HBx    H   1   1.904   0.013    
     A   8    MET   HBy    H   1   1.904   0.013    
     A   8    MET   HE1    H   1   2.074   0.009    
     A   8    MET   HE2    H   1   2.074   0.009    
     A   8    MET   HE3    H   1   2.074   0.009    
     A   8    MET   HGx    H   1   2.389   0.005    
     A   8    MET   HGy    H   1   2.389   0.005    
     A   9    CYS   H      H   1   8.671   0.012    
     A   9    CYS   HA     H   1   4.738   0.007    
     A   9    CYS   HB2    H   1   3.367   0.003    
     A   9    CYS   HB3    H   1   2.833   0.018    
     A   10   VAL   H      H   1   8.604   0.006    
     A   10   VAL   HA     H   1   4.668   0.010    
     A   10   VAL   HB     H   1   2.099   0.011    
     A   10   VAL   HGx%   H   1   0.929   0.006    
     A   10   VAL   HGy%   H   1   0.789   0.006    
     A   11   PRO   HA     H   1   4.503   0.000    
     A   11   PRO   HB2    H   1   2.326   0.006    
     A   11   PRO   HB3    H   1   1.833   0.012    
     A   11   PRO   HD2    H   1   3.858   0.007    
     A   11   PRO   HD3    H   1   3.622   0.005    
     A   11   PRO   HG2    H   1   2.109   0.008    
     A   11   PRO   HG3    H   1   1.957   0.010    
     A   12   CYS   H      H   1   8.753   0.082    
     A   12   CYS   HA     H   1   4.499   0.009    
     A   12   CYS   HB2    H   1   3.170   0.010    
     A   12   CYS   HB3    H   1   2.881   0.004    

   stop_

save_

save_CNS/XPLOR_distance_constraints_2
   _nef_distance_restraint_list.sf_category       nef_distance_restraint_list
   _nef_distance_restraint_list.sf_framecode      CNS/XPLOR_distance_constraints_2
   _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.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.lower_limit
      _nef_distance_restraint.upper_limit

     1    1    A   2    THR   HB     A   2    THR   HA     1.0   0.0   4.5    
     2    2    A   3    CYS   HA     A   10   VAL   HGx%   1.0   0.0   6.5    
     3    3    A   3    CYS   HA     A   10   VAL   HGy%   1.0   0.0   7.5    
     4    4    A   3    CYS   HA     A   2    THR   HG1    1.0   0.0   5.5    
     5    5    A   3    CYS   HB3    A   3    CYS   H      1.0   0.0   4.5    
     6    6    A   3    CYS   HB2    A   4    CYS   H      1.0   0.0   4.5    
     7    7    A   3    CYS   HB2    A   4    CYS   HA     1.0   0.0   4.5    
     8    8    A   6    TYR   H      A   2    THR   HG1    1.0   0.0   4.5    
     9    8    A   2    THR   HG1    A   6    TYR   H      1.0   0.0   4.5    
     10   9    A   6    TYR   HDx    A   6    TYR   HBx    1.0   0.0   6.9    
     11   9    A   6    TYR   HBy    A   6    TYR   HDx    1.0   0.0   6.9    
     12   10   A   6    TYR   H      A   6    TYR   HBx    1.0   0.0   4.5    
     13   10   A   6    TYR   H      A   6    TYR   HBy    1.0   0.0   4.5    
     14   11   A   6    TYR   HDx    A   6    TYR   HEx    1.0   0.0   8.3    
     15   12   A   7    ARG   HBy    A   7    ARG   HDx    1.0   0.0   5.5    
     16   12   A   7    ARG   HDy    A   7    ARG   HBx    1.0   0.0   5.5    
     17   12   A   7    ARG   HDy    A   7    ARG   HBy    1.0   0.0   5.5    
     18   12   A   7    ARG   HBx    A   7    ARG   HDx    1.0   0.0   5.5    
     19   13   A   8    MET   H      A   8    MET   HE1    1.0   0.0   3.7    
     20   14   A   8    MET   HBy    A   8    MET   HGx    1.0   0.0   5.5    
     21   14   A   8    MET   HBx    A   8    MET   HGx    1.0   0.0   5.5    
     22   14   A   8    MET   HGy    A   8    MET   HBx    1.0   0.0   5.5    
     23   14   A   8    MET   HBy    A   8    MET   HGy    1.0   0.0   5.5    
     24   15   A   9    CYS   H      A   8    MET   HBx    1.0   0.0   5.5    
     25   15   A   8    MET   HBy    A   9    CYS   H      1.0   0.0   5.5    
     26   16   A   9    CYS   H      A   9    CYS   HA     1.0   0.0   4.5    
     27   17   A   9    CYS   HA     A   9    CYS   HB2    1.0   0.0   3.5    
     28   18   A   9    CYS   HA     A   10   VAL   H      1.0   0.0   2.7    
     29   19   A   9    CYS   H      A   9    CYS   HB3    1.0   0.0   3.5    
     30   20   A   9    CYS   HA     A   9    CYS   HB3    1.0   0.0   3.5    
     31   21   A   9    CYS   HB2    A   9    CYS   HB3    1.0   0.0   3.5    
     32   22   A   9    CYS   H      A   9    CYS   HB2    1.0   0.0   2.7    
     33   23   A   11   PRO   HB3    A   11   PRO   HG3    1.0   0.0   3.5    
     34   24   A   11   PRO   HB3    A   11   PRO   HG2    1.0   0.0   3.5    
     35   25   A   11   PRO   HB3    A   11   PRO   HB2    1.0   0.0   2.7    
     36   26   A   10   VAL   HGx%   A   11   PRO   HD2    1.0   0.0   6.5    
     37   27   A   11   PRO   HG2    A   11   PRO   HD3    1.0   0.0   3.5    
     38   28   A   11   PRO   HG2    A   11   PRO   HD2    1.0   0.0   3.5    
     39   29   A   11   PRO   HB3    A   12   CYS   HA     1.0   0.0   4.5    
     40   30   A   11   PRO   HB2    A   12   CYS   HA     1.0   0.0   4.5    
     41   31   A   3    CYS   H      A   3    CYS   HB2    1.0   0.0   4.5    
     42   32   A   3    CYS   HA     A   3    CYS   HB3    1.0   0.0   3.5    
     43   33   A   3    CYS   HB3    A   4    CYS   H      1.0   0.0   4.5    
     44   34   A   4    CYS   HA     A   4    CYS   HB3    1.0   0.0   3.5    
     45   35   A   4    CYS   HA     A   4    CYS   HB2    1.0   0.0   4.5    
     46   36   A   5    GLY   H      A   5    GLY   HA3    1.0   0.0   4.5    
     47   37   A   5    GLY   H      A   5    GLY   HA2    1.0   0.0   3.5    
     48   38   A   4    CYS   HB3    A   5    GLY   H      1.0   0.0   3.5    
     49   39   A   5    GLY   HA3    A   5    GLY   HA2    1.0   0.0   2.7    
     50   40   A   6    TYR   H      A   5    GLY   HA3    1.0   0.0   3.5    
     51   41   A   6    TYR   HA     A   6    TYR   HBx    1.0   0.0   4.5    
     52   41   A   6    TYR   HBy    A   6    TYR   HA     1.0   0.0   4.5    
     53   42   A   8    MET   H      A   8    MET   HA     1.0   0.0   4.5    
     54   43   A   9    CYS   H      A   9    CYS   HB2    1.0   0.0   3.5    
     55   44   A   10   VAL   HGy%   A   10   VAL   H      1.0   0.0   6.5    
     56   45   A   10   VAL   HGx%   A   10   VAL   HB     1.0   0.0   5.5    
     57   46   A   10   VAL   HGy%   A   10   VAL   HB     1.0   0.0   5.5    
     58   47   A   11   PRO   HG3    A   11   PRO   HD2    1.0   0.0   3.5    
     59   48   A   12   CYS   HA     A   12   CYS   HB3    1.0   0.0   3.5    
     60   49   A   12   CYS   HA     A   4    CYS   HB2    1.0   0.0   3.5    
     61   50   A   12   CYS   HB3    A   12   CYS   HB2    1.0   0.0   2.7    
     62   51   A   12   CYS   HA     A   12   CYS   HB2    1.0   0.0   3.5    
     63   52   A   10   VAL   H      A   10   VAL   HA     1.0   0.0   3.5    
     64   53   A   6    TYR   H      A   7    ARG   HA     1.0   0.0   3.5    
     65   54   A   6    TYR   HDx    A   6    TYR   HA     1.0   0.0   5.5    

   stop_

save_