data_wwPDB_remediated_restraints_file_for_PDB_entry_2jzo

# This wwPDB archive file contains, for PDB entry 2jzo:
#
# - Sequence information from the PDB mmCIF file
# - NMR restraints from the PDB MR file
#
# In this file, the NMR restraints share the same atom names as in the coordinate 
# file, and in this way can differ from the data deposited at the wwPDB. To achieve
# this aim, the NMR restraints were parsed from their original format files, and
# the coordinates and NMR restraints information were subsequently harmonized.
#
# Due to the complexity of this harmonization process, minor modifications could
# have occurred to the NMR restraints information, or data could have been lost
# because of parsing or conversion errors. The PDB file remains the
# authoritative reference for the atomic coordinates and the originally deposited
# restraints files remain the primary reference for these data.
#
# This file is generated as part of the wwPDB at the BioMagResBank (BMRB) in
# collaboration with the PDBe (formerly MSD) group at the European
# Bioinformatics Institute (EBI) and the CMBI/IMM group at the Radboud
# University of Nijmegen.
#
# Several software packages were used to produce this file:
#
# - Wattos (BMRB and CMBI/IMM).
# - FormatConverter and NMRStarExport (PDBe).
# - CCPN framework (http://www.ccpn.ac.uk/).
#
# More information about this process can be found in the references below.
# Please cite the original reference for this PDB entry.
#
# JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL
# Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED
# containing converted and filtered sets of experimental NMR restraints and
# coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12.
#
# WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL
# Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy:
# development of a software pipeline. Proteins 59, 687-696.
#
# JF Doreleijers, WF Vranken, C Schulte, J Lin, JR Wedell, CJ Penkett, GW Vuister, 
# G Vriend, JL Markley, and EL Ulrich (2009). The NMR Restraints Grid at BMRB for 
# 5,266 Protein and Nucleic Acid PDB Entries. J Biomol. NMR 45, 389-396.

#######################
#  Entry information  #
#######################

save_entry_information
   _Entry.Sf_category                  entry_information
   _Entry.Sf_framecode                 entry_information
   _Entry.ID                           rr_2jzo
   _Entry.Title                        'wwPDB remediated NMR restraints for PDB entry 2jzo'
   _Entry.Version_type                 original
   _Entry.NMR_STAR_version             3.1.0.8
   _Entry.Experimental_method          NMR
   _Entry.Experimental_method_subtype  solution
   _Entry.Details                      'Contains the remediated restraint lists and coordinates for PDB entry 2jzo'
   _Entry.PDB_coordinate_file_version  3.20

   loop_
      _Related_entries.Database_name
      _Related_entries.Database_accession_code
      _Related_entries.Relationship
      _Related_entries.Entry_ID

     PDB   2jzo   'Master copy'   rr_2jzo    

   stop_

save_

#############################################
#  Molecular system (assembly) description  #
#############################################

save_assembly
   _Assembly.Sf_category           assembly
   _Assembly.Sf_framecode          assembly
   _Assembly.Entry_ID              rr_2jzo
   _Assembly.ID                    1
   _Assembly.Name                  2jzo
   _Assembly.Number_of_components  3
   _Assembly.Organic_ligands       0
   _Assembly.Metal_ions            0
   _Assembly.Non_standard_bonds    no
   _Assembly.Paramagnetic          no
   _Assembly.Thiol_state           'not present'
   _Assembly.Molecular_mass        47166.0946

   loop_
      _Entity_assembly.ID
      _Entity_assembly.Entity_assembly_name
      _Entity_assembly.Entity_ID
      _Entity_assembly.Entity_label
      _Entity_assembly.Asym_ID
      _Entity_assembly.PDB_chain_ID
      _Entity_assembly.Experimental_data_reported
      _Entity_assembly.Physical_state
      _Entity_assembly.Conformational_isomer
      _Entity_assembly.Chemical_exchange_state
      _Entity_assembly.Magnetic_equivalence_group_code
      _Entity_assembly.Role
      _Entity_assembly.Details
      _Entity_assembly.Entry_ID
      _Entity_assembly.Assembly_ID

     1   'PTS system mannose specific EIIAB component'     1   $PTS_system_mannose_specific_EIIAB_component     A   .   no   .   .   .   .   .   .   rr_2jzo   1    
     2   'PTS system mannose specific EIIAB component'     1   $PTS_system_mannose_specific_EIIAB_component     B   .   no   .   .   .   .   .   .   rr_2jzo   1    
     3   'PTS system mannose specific EIIAB component 2'   2   $PTS_system_mannose_specific_EIIAB_component_2   C   .   no   .   .   .   .   .   .   rr_2jzo   1    

   stop_

save_

    ####################################
    #  Biological polymers and ligands #
    ####################################

save_PTS_system_mannose_specific_EIIAB_component
   _Entity.Sf_category                      entity
   _Entity.Sf_framecode                     PTS_system_mannose_specific_EIIAB_component
   _Entity.Entry_ID                         rr_2jzo
   _Entity.ID                               1
   _Entity.Name                             PTS_system_mannose_specific_EIIAB_component
   _Entity.Type                             polymer
   _Entity.Polymer_type                     polypeptide(L)
   _Entity.Polymer_strand_ID                A,B
   _Entity.Polymer_seq_one_letter_code    
;
TIAIVIGTHGWAAEQLLKTA
EMLLGEQENVGWIDFVPGEN
AETLIEKYNAQLAKLDTTKG
VLFLVDTWGGSPFNAASRIV
VDKEHYEVIAGVNIPMLVET
LMARDDDPSFDELVALAVET
GREGVKALKAKPV
;
   _Entity.Ambiguous_conformational_states  no
   _Entity.Ambiguous_chem_comp_sites        no
   _Entity.Nstd_monomer                     no
   _Entity.Nstd_chirality                   no
   _Entity.Nstd_linkage                     no
   _Entity.Number_of_monomers               133
   _Entity.Paramagnetic                     no
   _Entity.Thiol_state                      'not present'
   _Entity.Parent_entity_ID                 1
   _Entity.Formula_weight                   14427.4252

   loop_
      _Entity_comp_index.ID
      _Entity_comp_index.Auth_seq_ID
      _Entity_comp_index.Comp_ID
      _Entity_comp_index.Comp_label
      _Entity_comp_index.Entry_ID
      _Entity_comp_index.Entity_ID

     1     .   THR   .   rr_2jzo   1    
     2     .   ILE   .   rr_2jzo   1    
     3     .   ALA   .   rr_2jzo   1    
     4     .   ILE   .   rr_2jzo   1    
     5     .   VAL   .   rr_2jzo   1    
     6     .   ILE   .   rr_2jzo   1    
     7     .   GLY   .   rr_2jzo   1    
     8     .   THR   .   rr_2jzo   1    
     9     .   HIS   .   rr_2jzo   1    
     10    .   GLY   .   rr_2jzo   1    
     11    .   TRP   .   rr_2jzo   1    
     12    .   ALA   .   rr_2jzo   1    
     13    .   ALA   .   rr_2jzo   1    
     14    .   GLU   .   rr_2jzo   1    
     15    .   GLN   .   rr_2jzo   1    
     16    .   LEU   .   rr_2jzo   1    
     17    .   LEU   .   rr_2jzo   1    
     18    .   LYS   .   rr_2jzo   1    
     19    .   THR   .   rr_2jzo   1    
     20    .   ALA   .   rr_2jzo   1    
     21    .   GLU   .   rr_2jzo   1    
     22    .   MET   .   rr_2jzo   1    
     23    .   LEU   .   rr_2jzo   1    
     24    .   LEU   .   rr_2jzo   1    
     25    .   GLY   .   rr_2jzo   1    
     26    .   GLU   .   rr_2jzo   1    
     27    .   GLN   .   rr_2jzo   1    
     28    .   GLU   .   rr_2jzo   1    
     29    .   ASN   .   rr_2jzo   1    
     30    .   VAL   .   rr_2jzo   1    
     31    .   GLY   .   rr_2jzo   1    
     32    .   TRP   .   rr_2jzo   1    
     33    .   ILE   .   rr_2jzo   1    
     34    .   ASP   .   rr_2jzo   1    
     35    .   PHE   .   rr_2jzo   1    
     36    .   VAL   .   rr_2jzo   1    
     37    .   PRO   .   rr_2jzo   1    
     38    .   GLY   .   rr_2jzo   1    
     39    .   GLU   .   rr_2jzo   1    
     40    .   ASN   .   rr_2jzo   1    
     41    .   ALA   .   rr_2jzo   1    
     42    .   GLU   .   rr_2jzo   1    
     43    .   THR   .   rr_2jzo   1    
     44    .   LEU   .   rr_2jzo   1    
     45    .   ILE   .   rr_2jzo   1    
     46    .   GLU   .   rr_2jzo   1    
     47    .   LYS   .   rr_2jzo   1    
     48    .   TYR   .   rr_2jzo   1    
     49    .   ASN   .   rr_2jzo   1    
     50    .   ALA   .   rr_2jzo   1    
     51    .   GLN   .   rr_2jzo   1    
     52    .   LEU   .   rr_2jzo   1    
     53    .   ALA   .   rr_2jzo   1    
     54    .   LYS   .   rr_2jzo   1    
     55    .   LEU   .   rr_2jzo   1    
     56    .   ASP   .   rr_2jzo   1    
     57    .   THR   .   rr_2jzo   1    
     58    .   THR   .   rr_2jzo   1    
     59    .   LYS   .   rr_2jzo   1    
     60    .   GLY   .   rr_2jzo   1    
     61    .   VAL   .   rr_2jzo   1    
     62    .   LEU   .   rr_2jzo   1    
     63    .   PHE   .   rr_2jzo   1    
     64    .   LEU   .   rr_2jzo   1    
     65    .   VAL   .   rr_2jzo   1    
     66    .   ASP   .   rr_2jzo   1    
     67    .   THR   .   rr_2jzo   1    
     68    .   TRP   .   rr_2jzo   1    
     69    .   GLY   .   rr_2jzo   1    
     70    .   GLY   .   rr_2jzo   1    
     71    .   SER   .   rr_2jzo   1    
     72    .   PRO   .   rr_2jzo   1    
     73    .   PHE   .   rr_2jzo   1    
     74    .   ASN   .   rr_2jzo   1    
     75    .   ALA   .   rr_2jzo   1    
     76    .   ALA   .   rr_2jzo   1    
     77    .   SER   .   rr_2jzo   1    
     78    .   ARG   .   rr_2jzo   1    
     79    .   ILE   .   rr_2jzo   1    
     80    .   VAL   .   rr_2jzo   1    
     81    .   VAL   .   rr_2jzo   1    
     82    .   ASP   .   rr_2jzo   1    
     83    .   LYS   .   rr_2jzo   1    
     84    .   GLU   .   rr_2jzo   1    
     85    .   HIS   .   rr_2jzo   1    
     86    .   TYR   .   rr_2jzo   1    
     87    .   GLU   .   rr_2jzo   1    
     88    .   VAL   .   rr_2jzo   1    
     89    .   ILE   .   rr_2jzo   1    
     90    .   ALA   .   rr_2jzo   1    
     91    .   GLY   .   rr_2jzo   1    
     92    .   VAL   .   rr_2jzo   1    
     93    .   ASN   .   rr_2jzo   1    
     94    .   ILE   .   rr_2jzo   1    
     95    .   PRO   .   rr_2jzo   1    
     96    .   MET   .   rr_2jzo   1    
     97    .   LEU   .   rr_2jzo   1    
     98    .   VAL   .   rr_2jzo   1    
     99    .   GLU   .   rr_2jzo   1    
     100   .   THR   .   rr_2jzo   1    
     101   .   LEU   .   rr_2jzo   1    
     102   .   MET   .   rr_2jzo   1    
     103   .   ALA   .   rr_2jzo   1    
     104   .   ARG   .   rr_2jzo   1    
     105   .   ASP   .   rr_2jzo   1    
     106   .   ASP   .   rr_2jzo   1    
     107   .   ASP   .   rr_2jzo   1    
     108   .   PRO   .   rr_2jzo   1    
     109   .   SER   .   rr_2jzo   1    
     110   .   PHE   .   rr_2jzo   1    
     111   .   ASP   .   rr_2jzo   1    
     112   .   GLU   .   rr_2jzo   1    
     113   .   LEU   .   rr_2jzo   1    
     114   .   VAL   .   rr_2jzo   1    
     115   .   ALA   .   rr_2jzo   1    
     116   .   LEU   .   rr_2jzo   1    
     117   .   ALA   .   rr_2jzo   1    
     118   .   VAL   .   rr_2jzo   1    
     119   .   GLU   .   rr_2jzo   1    
     120   .   THR   .   rr_2jzo   1    
     121   .   GLY   .   rr_2jzo   1    
     122   .   ARG   .   rr_2jzo   1    
     123   .   GLU   .   rr_2jzo   1    
     124   .   GLY   .   rr_2jzo   1    
     125   .   VAL   .   rr_2jzo   1    
     126   .   LYS   .   rr_2jzo   1    
     127   .   ALA   .   rr_2jzo   1    
     128   .   LEU   .   rr_2jzo   1    
     129   .   LYS   .   rr_2jzo   1    
     130   .   ALA   .   rr_2jzo   1    
     131   .   LYS   .   rr_2jzo   1    
     132   .   PRO   .   rr_2jzo   1    
     133   .   VAL   .   rr_2jzo   1    

   stop_

   loop_
      _Entity_poly_seq.Hetero
      _Entity_poly_seq.Mon_ID
      _Entity_poly_seq.Num
      _Entity_poly_seq.Comp_index_ID
      _Entity_poly_seq.Entry_ID
      _Entity_poly_seq.Entity_ID

     .   THR   1     1     rr_2jzo   1    
     .   ILE   2     2     rr_2jzo   1    
     .   ALA   3     3     rr_2jzo   1    
     .   ILE   4     4     rr_2jzo   1    
     .   VAL   5     5     rr_2jzo   1    
     .   ILE   6     6     rr_2jzo   1    
     .   GLY   7     7     rr_2jzo   1    
     .   THR   8     8     rr_2jzo   1    
     .   HIS   9     9     rr_2jzo   1    
     .   GLY   10    10    rr_2jzo   1    
     .   TRP   11    11    rr_2jzo   1    
     .   ALA   12    12    rr_2jzo   1    
     .   ALA   13    13    rr_2jzo   1    
     .   GLU   14    14    rr_2jzo   1    
     .   GLN   15    15    rr_2jzo   1    
     .   LEU   16    16    rr_2jzo   1    
     .   LEU   17    17    rr_2jzo   1    
     .   LYS   18    18    rr_2jzo   1    
     .   THR   19    19    rr_2jzo   1    
     .   ALA   20    20    rr_2jzo   1    
     .   GLU   21    21    rr_2jzo   1    
     .   MET   22    22    rr_2jzo   1    
     .   LEU   23    23    rr_2jzo   1    
     .   LEU   24    24    rr_2jzo   1    
     .   GLY   25    25    rr_2jzo   1    
     .   GLU   26    26    rr_2jzo   1    
     .   GLN   27    27    rr_2jzo   1    
     .   GLU   28    28    rr_2jzo   1    
     .   ASN   29    29    rr_2jzo   1    
     .   VAL   30    30    rr_2jzo   1    
     .   GLY   31    31    rr_2jzo   1    
     .   TRP   32    32    rr_2jzo   1    
     .   ILE   33    33    rr_2jzo   1    
     .   ASP   34    34    rr_2jzo   1    
     .   PHE   35    35    rr_2jzo   1    
     .   VAL   36    36    rr_2jzo   1    
     .   PRO   37    37    rr_2jzo   1    
     .   GLY   38    38    rr_2jzo   1    
     .   GLU   39    39    rr_2jzo   1    
     .   ASN   40    40    rr_2jzo   1    
     .   ALA   41    41    rr_2jzo   1    
     .   GLU   42    42    rr_2jzo   1    
     .   THR   43    43    rr_2jzo   1    
     .   LEU   44    44    rr_2jzo   1    
     .   ILE   45    45    rr_2jzo   1    
     .   GLU   46    46    rr_2jzo   1    
     .   LYS   47    47    rr_2jzo   1    
     .   TYR   48    48    rr_2jzo   1    
     .   ASN   49    49    rr_2jzo   1    
     .   ALA   50    50    rr_2jzo   1    
     .   GLN   51    51    rr_2jzo   1    
     .   LEU   52    52    rr_2jzo   1    
     .   ALA   53    53    rr_2jzo   1    
     .   LYS   54    54    rr_2jzo   1    
     .   LEU   55    55    rr_2jzo   1    
     .   ASP   56    56    rr_2jzo   1    
     .   THR   57    57    rr_2jzo   1    
     .   THR   58    58    rr_2jzo   1    
     .   LYS   59    59    rr_2jzo   1    
     .   GLY   60    60    rr_2jzo   1    
     .   VAL   61    61    rr_2jzo   1    
     .   LEU   62    62    rr_2jzo   1    
     .   PHE   63    63    rr_2jzo   1    
     .   LEU   64    64    rr_2jzo   1    
     .   VAL   65    65    rr_2jzo   1    
     .   ASP   66    66    rr_2jzo   1    
     .   THR   67    67    rr_2jzo   1    
     .   TRP   68    68    rr_2jzo   1    
     .   GLY   69    69    rr_2jzo   1    
     .   GLY   70    70    rr_2jzo   1    
     .   SER   71    71    rr_2jzo   1    
     .   PRO   72    72    rr_2jzo   1    
     .   PHE   73    73    rr_2jzo   1    
     .   ASN   74    74    rr_2jzo   1    
     .   ALA   75    75    rr_2jzo   1    
     .   ALA   76    76    rr_2jzo   1    
     .   SER   77    77    rr_2jzo   1    
     .   ARG   78    78    rr_2jzo   1    
     .   ILE   79    79    rr_2jzo   1    
     .   VAL   80    80    rr_2jzo   1    
     .   VAL   81    81    rr_2jzo   1    
     .   ASP   82    82    rr_2jzo   1    
     .   LYS   83    83    rr_2jzo   1    
     .   GLU   84    84    rr_2jzo   1    
     .   HIS   85    85    rr_2jzo   1    
     .   TYR   86    86    rr_2jzo   1    
     .   GLU   87    87    rr_2jzo   1    
     .   VAL   88    88    rr_2jzo   1    
     .   ILE   89    89    rr_2jzo   1    
     .   ALA   90    90    rr_2jzo   1    
     .   GLY   91    91    rr_2jzo   1    
     .   VAL   92    92    rr_2jzo   1    
     .   ASN   93    93    rr_2jzo   1    
     .   ILE   94    94    rr_2jzo   1    
     .   PRO   95    95    rr_2jzo   1    
     .   MET   96    96    rr_2jzo   1    
     .   LEU   97    97    rr_2jzo   1    
     .   VAL   98    98    rr_2jzo   1    
     .   GLU   99    99    rr_2jzo   1    
     .   THR   100   100   rr_2jzo   1    
     .   LEU   101   101   rr_2jzo   1    
     .   MET   102   102   rr_2jzo   1    
     .   ALA   103   103   rr_2jzo   1    
     .   ARG   104   104   rr_2jzo   1    
     .   ASP   105   105   rr_2jzo   1    
     .   ASP   106   106   rr_2jzo   1    
     .   ASP   107   107   rr_2jzo   1    
     .   PRO   108   108   rr_2jzo   1    
     .   SER   109   109   rr_2jzo   1    
     .   PHE   110   110   rr_2jzo   1    
     .   ASP   111   111   rr_2jzo   1    
     .   GLU   112   112   rr_2jzo   1    
     .   LEU   113   113   rr_2jzo   1    
     .   VAL   114   114   rr_2jzo   1    
     .   ALA   115   115   rr_2jzo   1    
     .   LEU   116   116   rr_2jzo   1    
     .   ALA   117   117   rr_2jzo   1    
     .   VAL   118   118   rr_2jzo   1    
     .   GLU   119   119   rr_2jzo   1    
     .   THR   120   120   rr_2jzo   1    
     .   GLY   121   121   rr_2jzo   1    
     .   ARG   122   122   rr_2jzo   1    
     .   GLU   123   123   rr_2jzo   1    
     .   GLY   124   124   rr_2jzo   1    
     .   VAL   125   125   rr_2jzo   1    
     .   LYS   126   126   rr_2jzo   1    
     .   ALA   127   127   rr_2jzo   1    
     .   LEU   128   128   rr_2jzo   1    
     .   LYS   129   129   rr_2jzo   1    
     .   ALA   130   130   rr_2jzo   1    
     .   LYS   131   131   rr_2jzo   1    
     .   PRO   132   132   rr_2jzo   1    
     .   VAL   133   133   rr_2jzo   1    

   stop_

save_

save_PTS_system_mannose_specific_EIIAB_component_2
   _Entity.Sf_category                      entity
   _Entity.Sf_framecode                     PTS_system_mannose_specific_EIIAB_component_2
   _Entity.Entry_ID                         rr_2jzo
   _Entity.ID                               2
   _Entity.Name                             PTS_system_mannose_specific_EIIAB_component_2
   _Entity.Type                             polymer
   _Entity.Polymer_type                     polypeptide(L)
   _Entity.Polymer_strand_ID                C
   _Entity.Polymer_seq_one_letter_code    
;
NDYMVIGLARIDDRLIHGQV
ATRWTKETNVSRIIVVSDEV
AADTVRKTLLTQVAPPGVTA
HVVDVAKMIRVYNNPKYAGE
RVMLLFTNPTDVERLVEGGV
KITSVNVGGMAFRQGKTQVN
NAVSVDEKDIEAFKKLNARG
IELEVRKVSTDPKLKMMDLI
SKIDK
;
   _Entity.Ambiguous_conformational_states  no
   _Entity.Ambiguous_chem_comp_sites        no
   _Entity.Nstd_monomer                     no
   _Entity.Nstd_chirality                   no
   _Entity.Nstd_linkage                     no
   _Entity.Number_of_monomers               165
   _Entity.Paramagnetic                     no
   _Entity.Thiol_state                      'not present'
   _Entity.Parent_entity_ID                 2
   _Entity.Formula_weight                   18311.2442

   loop_
      _Entity_comp_index.ID
      _Entity_comp_index.Auth_seq_ID
      _Entity_comp_index.Comp_ID
      _Entity_comp_index.Comp_label
      _Entity_comp_index.Entry_ID
      _Entity_comp_index.Entity_ID

     1     .   ASN   .   rr_2jzo   2    
     2     .   ASP   .   rr_2jzo   2    
     3     .   TYR   .   rr_2jzo   2    
     4     .   MET   .   rr_2jzo   2    
     5     .   VAL   .   rr_2jzo   2    
     6     .   ILE   .   rr_2jzo   2    
     7     .   GLY   .   rr_2jzo   2    
     8     .   LEU   .   rr_2jzo   2    
     9     .   ALA   .   rr_2jzo   2    
     10    .   ARG   .   rr_2jzo   2    
     11    .   ILE   .   rr_2jzo   2    
     12    .   ASP   .   rr_2jzo   2    
     13    .   ASP   .   rr_2jzo   2    
     14    .   ARG   .   rr_2jzo   2    
     15    .   LEU   .   rr_2jzo   2    
     16    .   ILE   .   rr_2jzo   2    
     17    .   HIS   .   rr_2jzo   2    
     18    .   GLY   .   rr_2jzo   2    
     19    .   GLN   .   rr_2jzo   2    
     20    .   VAL   .   rr_2jzo   2    
     21    .   ALA   .   rr_2jzo   2    
     22    .   THR   .   rr_2jzo   2    
     23    .   ARG   .   rr_2jzo   2    
     24    .   TRP   .   rr_2jzo   2    
     25    .   THR   .   rr_2jzo   2    
     26    .   LYS   .   rr_2jzo   2    
     27    .   GLU   .   rr_2jzo   2    
     28    .   THR   .   rr_2jzo   2    
     29    .   ASN   .   rr_2jzo   2    
     30    .   VAL   .   rr_2jzo   2    
     31    .   SER   .   rr_2jzo   2    
     32    .   ARG   .   rr_2jzo   2    
     33    .   ILE   .   rr_2jzo   2    
     34    .   ILE   .   rr_2jzo   2    
     35    .   VAL   .   rr_2jzo   2    
     36    .   VAL   .   rr_2jzo   2    
     37    .   SER   .   rr_2jzo   2    
     38    .   ASP   .   rr_2jzo   2    
     39    .   GLU   .   rr_2jzo   2    
     40    .   VAL   .   rr_2jzo   2    
     41    .   ALA   .   rr_2jzo   2    
     42    .   ALA   .   rr_2jzo   2    
     43    .   ASP   .   rr_2jzo   2    
     44    .   THR   .   rr_2jzo   2    
     45    .   VAL   .   rr_2jzo   2    
     46    .   ARG   .   rr_2jzo   2    
     47    .   LYS   .   rr_2jzo   2    
     48    .   THR   .   rr_2jzo   2    
     49    .   LEU   .   rr_2jzo   2    
     50    .   LEU   .   rr_2jzo   2    
     51    .   THR   .   rr_2jzo   2    
     52    .   GLN   .   rr_2jzo   2    
     53    .   VAL   .   rr_2jzo   2    
     54    .   ALA   .   rr_2jzo   2    
     55    .   PRO   .   rr_2jzo   2    
     56    .   PRO   .   rr_2jzo   2    
     57    .   GLY   .   rr_2jzo   2    
     58    .   VAL   .   rr_2jzo   2    
     59    .   THR   .   rr_2jzo   2    
     60    .   ALA   .   rr_2jzo   2    
     61    .   HIS   .   rr_2jzo   2    
     62    .   VAL   .   rr_2jzo   2    
     63    .   VAL   .   rr_2jzo   2    
     64    .   ASP   .   rr_2jzo   2    
     65    .   VAL   .   rr_2jzo   2    
     66    .   ALA   .   rr_2jzo   2    
     67    .   LYS   .   rr_2jzo   2    
     68    .   MET   .   rr_2jzo   2    
     69    .   ILE   .   rr_2jzo   2    
     70    .   ARG   .   rr_2jzo   2    
     71    .   VAL   .   rr_2jzo   2    
     72    .   TYR   .   rr_2jzo   2    
     73    .   ASN   .   rr_2jzo   2    
     74    .   ASN   .   rr_2jzo   2    
     75    .   PRO   .   rr_2jzo   2    
     76    .   LYS   .   rr_2jzo   2    
     77    .   TYR   .   rr_2jzo   2    
     78    .   ALA   .   rr_2jzo   2    
     79    .   GLY   .   rr_2jzo   2    
     80    .   GLU   .   rr_2jzo   2    
     81    .   ARG   .   rr_2jzo   2    
     82    .   VAL   .   rr_2jzo   2    
     83    .   MET   .   rr_2jzo   2    
     84    .   LEU   .   rr_2jzo   2    
     85    .   LEU   .   rr_2jzo   2    
     86    .   PHE   .   rr_2jzo   2    
     87    .   THR   .   rr_2jzo   2    
     88    .   ASN   .   rr_2jzo   2    
     89    .   PRO   .   rr_2jzo   2    
     90    .   THR   .   rr_2jzo   2    
     91    .   ASP   .   rr_2jzo   2    
     92    .   VAL   .   rr_2jzo   2    
     93    .   GLU   .   rr_2jzo   2    
     94    .   ARG   .   rr_2jzo   2    
     95    .   LEU   .   rr_2jzo   2    
     96    .   VAL   .   rr_2jzo   2    
     97    .   GLU   .   rr_2jzo   2    
     98    .   GLY   .   rr_2jzo   2    
     99    .   GLY   .   rr_2jzo   2    
     100   .   VAL   .   rr_2jzo   2    
     101   .   LYS   .   rr_2jzo   2    
     102   .   ILE   .   rr_2jzo   2    
     103   .   THR   .   rr_2jzo   2    
     104   .   SER   .   rr_2jzo   2    
     105   .   VAL   .   rr_2jzo   2    
     106   .   ASN   .   rr_2jzo   2    
     107   .   VAL   .   rr_2jzo   2    
     108   .   GLY   .   rr_2jzo   2    
     109   .   GLY   .   rr_2jzo   2    
     110   .   MET   .   rr_2jzo   2    
     111   .   ALA   .   rr_2jzo   2    
     112   .   PHE   .   rr_2jzo   2    
     113   .   ARG   .   rr_2jzo   2    
     114   .   GLN   .   rr_2jzo   2    
     115   .   GLY   .   rr_2jzo   2    
     116   .   LYS   .   rr_2jzo   2    
     117   .   THR   .   rr_2jzo   2    
     118   .   GLN   .   rr_2jzo   2    
     119   .   VAL   .   rr_2jzo   2    
     120   .   ASN   .   rr_2jzo   2    
     121   .   ASN   .   rr_2jzo   2    
     122   .   ALA   .   rr_2jzo   2    
     123   .   VAL   .   rr_2jzo   2    
     124   .   SER   .   rr_2jzo   2    
     125   .   VAL   .   rr_2jzo   2    
     126   .   ASP   .   rr_2jzo   2    
     127   .   GLU   .   rr_2jzo   2    
     128   .   LYS   .   rr_2jzo   2    
     129   .   ASP   .   rr_2jzo   2    
     130   .   ILE   .   rr_2jzo   2    
     131   .   GLU   .   rr_2jzo   2    
     132   .   ALA   .   rr_2jzo   2    
     133   .   PHE   .   rr_2jzo   2    
     134   .   LYS   .   rr_2jzo   2    
     135   .   LYS   .   rr_2jzo   2    
     136   .   LEU   .   rr_2jzo   2    
     137   .   ASN   .   rr_2jzo   2    
     138   .   ALA   .   rr_2jzo   2    
     139   .   ARG   .   rr_2jzo   2    
     140   .   GLY   .   rr_2jzo   2    
     141   .   ILE   .   rr_2jzo   2    
     142   .   GLU   .   rr_2jzo   2    
     143   .   LEU   .   rr_2jzo   2    
     144   .   GLU   .   rr_2jzo   2    
     145   .   VAL   .   rr_2jzo   2    
     146   .   ARG   .   rr_2jzo   2    
     147   .   LYS   .   rr_2jzo   2    
     148   .   VAL   .   rr_2jzo   2    
     149   .   SER   .   rr_2jzo   2    
     150   .   THR   .   rr_2jzo   2    
     151   .   ASP   .   rr_2jzo   2    
     152   .   PRO   .   rr_2jzo   2    
     153   .   LYS   .   rr_2jzo   2    
     154   .   LEU   .   rr_2jzo   2    
     155   .   LYS   .   rr_2jzo   2    
     156   .   MET   .   rr_2jzo   2    
     157   .   MET   .   rr_2jzo   2    
     158   .   ASP   .   rr_2jzo   2    
     159   .   LEU   .   rr_2jzo   2    
     160   .   ILE   .   rr_2jzo   2    
     161   .   SER   .   rr_2jzo   2    
     162   .   LYS   .   rr_2jzo   2    
     163   .   ILE   .   rr_2jzo   2    
     164   .   ASP   .   rr_2jzo   2    
     165   .   LYS   .   rr_2jzo   2    

   stop_

   loop_
      _Entity_poly_seq.Hetero
      _Entity_poly_seq.Mon_ID
      _Entity_poly_seq.Num
      _Entity_poly_seq.Comp_index_ID
      _Entity_poly_seq.Entry_ID
      _Entity_poly_seq.Entity_ID

     .   ASN   1     1     rr_2jzo   2    
     .   ASP   2     2     rr_2jzo   2    
     .   TYR   3     3     rr_2jzo   2    
     .   MET   4     4     rr_2jzo   2    
     .   VAL   5     5     rr_2jzo   2    
     .   ILE   6     6     rr_2jzo   2    
     .   GLY   7     7     rr_2jzo   2    
     .   LEU   8     8     rr_2jzo   2    
     .   ALA   9     9     rr_2jzo   2    
     .   ARG   10    10    rr_2jzo   2    
     .   ILE   11    11    rr_2jzo   2    
     .   ASP   12    12    rr_2jzo   2    
     .   ASP   13    13    rr_2jzo   2    
     .   ARG   14    14    rr_2jzo   2    
     .   LEU   15    15    rr_2jzo   2    
     .   ILE   16    16    rr_2jzo   2    
     .   HIS   17    17    rr_2jzo   2    
     .   GLY   18    18    rr_2jzo   2    
     .   GLN   19    19    rr_2jzo   2    
     .   VAL   20    20    rr_2jzo   2    
     .   ALA   21    21    rr_2jzo   2    
     .   THR   22    22    rr_2jzo   2    
     .   ARG   23    23    rr_2jzo   2    
     .   TRP   24    24    rr_2jzo   2    
     .   THR   25    25    rr_2jzo   2    
     .   LYS   26    26    rr_2jzo   2    
     .   GLU   27    27    rr_2jzo   2    
     .   THR   28    28    rr_2jzo   2    
     .   ASN   29    29    rr_2jzo   2    
     .   VAL   30    30    rr_2jzo   2    
     .   SER   31    31    rr_2jzo   2    
     .   ARG   32    32    rr_2jzo   2    
     .   ILE   33    33    rr_2jzo   2    
     .   ILE   34    34    rr_2jzo   2    
     .   VAL   35    35    rr_2jzo   2    
     .   VAL   36    36    rr_2jzo   2    
     .   SER   37    37    rr_2jzo   2    
     .   ASP   38    38    rr_2jzo   2    
     .   GLU   39    39    rr_2jzo   2    
     .   VAL   40    40    rr_2jzo   2    
     .   ALA   41    41    rr_2jzo   2    
     .   ALA   42    42    rr_2jzo   2    
     .   ASP   43    43    rr_2jzo   2    
     .   THR   44    44    rr_2jzo   2    
     .   VAL   45    45    rr_2jzo   2    
     .   ARG   46    46    rr_2jzo   2    
     .   LYS   47    47    rr_2jzo   2    
     .   THR   48    48    rr_2jzo   2    
     .   LEU   49    49    rr_2jzo   2    
     .   LEU   50    50    rr_2jzo   2    
     .   THR   51    51    rr_2jzo   2    
     .   GLN   52    52    rr_2jzo   2    
     .   VAL   53    53    rr_2jzo   2    
     .   ALA   54    54    rr_2jzo   2    
     .   PRO   55    55    rr_2jzo   2    
     .   PRO   56    56    rr_2jzo   2    
     .   GLY   57    57    rr_2jzo   2    
     .   VAL   58    58    rr_2jzo   2    
     .   THR   59    59    rr_2jzo   2    
     .   ALA   60    60    rr_2jzo   2    
     .   HIS   61    61    rr_2jzo   2    
     .   VAL   62    62    rr_2jzo   2    
     .   VAL   63    63    rr_2jzo   2    
     .   ASP   64    64    rr_2jzo   2    
     .   VAL   65    65    rr_2jzo   2    
     .   ALA   66    66    rr_2jzo   2    
     .   LYS   67    67    rr_2jzo   2    
     .   MET   68    68    rr_2jzo   2    
     .   ILE   69    69    rr_2jzo   2    
     .   ARG   70    70    rr_2jzo   2    
     .   VAL   71    71    rr_2jzo   2    
     .   TYR   72    72    rr_2jzo   2    
     .   ASN   73    73    rr_2jzo   2    
     .   ASN   74    74    rr_2jzo   2    
     .   PRO   75    75    rr_2jzo   2    
     .   LYS   76    76    rr_2jzo   2    
     .   TYR   77    77    rr_2jzo   2    
     .   ALA   78    78    rr_2jzo   2    
     .   GLY   79    79    rr_2jzo   2    
     .   GLU   80    80    rr_2jzo   2    
     .   ARG   81    81    rr_2jzo   2    
     .   VAL   82    82    rr_2jzo   2    
     .   MET   83    83    rr_2jzo   2    
     .   LEU   84    84    rr_2jzo   2    
     .   LEU   85    85    rr_2jzo   2    
     .   PHE   86    86    rr_2jzo   2    
     .   THR   87    87    rr_2jzo   2    
     .   ASN   88    88    rr_2jzo   2    
     .   PRO   89    89    rr_2jzo   2    
     .   THR   90    90    rr_2jzo   2    
     .   ASP   91    91    rr_2jzo   2    
     .   VAL   92    92    rr_2jzo   2    
     .   GLU   93    93    rr_2jzo   2    
     .   ARG   94    94    rr_2jzo   2    
     .   LEU   95    95    rr_2jzo   2    
     .   VAL   96    96    rr_2jzo   2    
     .   GLU   97    97    rr_2jzo   2    
     .   GLY   98    98    rr_2jzo   2    
     .   GLY   99    99    rr_2jzo   2    
     .   VAL   100   100   rr_2jzo   2    
     .   LYS   101   101   rr_2jzo   2    
     .   ILE   102   102   rr_2jzo   2    
     .   THR   103   103   rr_2jzo   2    
     .   SER   104   104   rr_2jzo   2    
     .   VAL   105   105   rr_2jzo   2    
     .   ASN   106   106   rr_2jzo   2    
     .   VAL   107   107   rr_2jzo   2    
     .   GLY   108   108   rr_2jzo   2    
     .   GLY   109   109   rr_2jzo   2    
     .   MET   110   110   rr_2jzo   2    
     .   ALA   111   111   rr_2jzo   2    
     .   PHE   112   112   rr_2jzo   2    
     .   ARG   113   113   rr_2jzo   2    
     .   GLN   114   114   rr_2jzo   2    
     .   GLY   115   115   rr_2jzo   2    
     .   LYS   116   116   rr_2jzo   2    
     .   THR   117   117   rr_2jzo   2    
     .   GLN   118   118   rr_2jzo   2    
     .   VAL   119   119   rr_2jzo   2    
     .   ASN   120   120   rr_2jzo   2    
     .   ASN   121   121   rr_2jzo   2    
     .   ALA   122   122   rr_2jzo   2    
     .   VAL   123   123   rr_2jzo   2    
     .   SER   124   124   rr_2jzo   2    
     .   VAL   125   125   rr_2jzo   2    
     .   ASP   126   126   rr_2jzo   2    
     .   GLU   127   127   rr_2jzo   2    
     .   LYS   128   128   rr_2jzo   2    
     .   ASP   129   129   rr_2jzo   2    
     .   ILE   130   130   rr_2jzo   2    
     .   GLU   131   131   rr_2jzo   2    
     .   ALA   132   132   rr_2jzo   2    
     .   PHE   133   133   rr_2jzo   2    
     .   LYS   134   134   rr_2jzo   2    
     .   LYS   135   135   rr_2jzo   2    
     .   LEU   136   136   rr_2jzo   2    
     .   ASN   137   137   rr_2jzo   2    
     .   ALA   138   138   rr_2jzo   2    
     .   ARG   139   139   rr_2jzo   2    
     .   GLY   140   140   rr_2jzo   2    
     .   ILE   141   141   rr_2jzo   2    
     .   GLU   142   142   rr_2jzo   2    
     .   LEU   143   143   rr_2jzo   2    
     .   GLU   144   144   rr_2jzo   2    
     .   VAL   145   145   rr_2jzo   2    
     .   ARG   146   146   rr_2jzo   2    
     .   LYS   147   147   rr_2jzo   2    
     .   VAL   148   148   rr_2jzo   2    
     .   SER   149   149   rr_2jzo   2    
     .   THR   150   150   rr_2jzo   2    
     .   ASP   151   151   rr_2jzo   2    
     .   PRO   152   152   rr_2jzo   2    
     .   LYS   153   153   rr_2jzo   2    
     .   LEU   154   154   rr_2jzo   2    
     .   LYS   155   155   rr_2jzo   2    
     .   MET   156   156   rr_2jzo   2    
     .   MET   157   157   rr_2jzo   2    
     .   ASP   158   158   rr_2jzo   2    
     .   LEU   159   159   rr_2jzo   2    
     .   ILE   160   160   rr_2jzo   2    
     .   SER   161   161   rr_2jzo   2    
     .   LYS   162   162   rr_2jzo   2    
     .   ILE   163   163   rr_2jzo   2    
     .   ASP   164   164   rr_2jzo   2    
     .   LYS   165   165   rr_2jzo   2    

   stop_

save_


##############################
#  Structure determinations  #
##############################

    ##########################
    #  Conformer statistics  #
    ##########################

save_conformer_statistics
   _Conformer_stat_list.Sf_category                    conformer_statistics
   _Conformer_stat_list.Sf_framecode                   conformer_statistics
   _Conformer_stat_list.Entry_ID                       rr_2jzo
   _Conformer_stat_list.ID                             1
   _Conformer_stat_list.Conf_family_coord_set_ID       1
   _Conformer_stat_list.Conf_family_coord_set_label    $Original_constraints_and_structures
   _Conformer_stat_list.Conformer_submitted_total_num  1

save_

###########################
#  Constraint Statistics  #
###########################

save_constraint_statistics
   _Constraint_stat_list.Sf_framecode  constraint_statistics
   _Constraint_stat_list.Sf_category   constraint_statistics
   _Constraint_stat_list.Entry_ID      rr_2jzo
   _Constraint_stat_list.ID            1

   loop_
      _Constraint_file.ID
      _Constraint_file.Constraint_filename
      _Constraint_file.Software_ID
      _Constraint_file.Software_label
      _Constraint_file.Software_name
      _Constraint_file.Block_ID
      _Constraint_file.Constraint_type
      _Constraint_file.Constraint_subtype
      _Constraint_file.Constraint_subsubtype
      _Constraint_file.Constraint_number
      _Constraint_file.Entry_ID
      _Constraint_file.Constraint_stat_list_ID

     1   2jzo.mr   .   .   'MR format'   1   comment                  'Not applicable'   'Not applicable'   0    rr_2jzo   1    
     1   2jzo.mr   .   .   XPLOR/CNS     2   distance                 NOE                ambi               41   rr_2jzo   1    
     1   2jzo.mr   .   .   XPLOR/CNS     3   'dihedral angle'         'Not applicable'   'Not applicable'   62   rr_2jzo   1    
     1   2jzo.mr   .   .   'MR format'   4   'nomenclature mapping'   'Not applicable'   'Not applicable'   0    rr_2jzo   1    

   stop_

save_

save_CNS/XPLOR_distance_constraints_2
   _Gen_dist_constraint_list.Sf_category         general_distance_constraints
   _Gen_dist_constraint_list.Sf_framecode        CNS/XPLOR_distance_constraints_2
   _Gen_dist_constraint_list.Entry_ID            rr_2jzo
   _Gen_dist_constraint_list.ID                  1
   _Gen_dist_constraint_list.Constraint_type     NOE
   _Gen_dist_constraint_list.Details             'Generated by Wattos'
   _Gen_dist_constraint_list.Constraint_file_ID  1
   _Gen_dist_constraint_list.Block_ID            2

   loop_
      _Gen_dist_constraint_software.Software_ID
      _Gen_dist_constraint_software.Software_label
      _Gen_dist_constraint_software.Method_ID
      _Gen_dist_constraint_software.Method_label
      _Gen_dist_constraint_software.Entry_ID
      _Gen_dist_constraint_software.Gen_dist_constraint_list_ID

     .   .   .   .   rr_2jzo   1    

   stop_

   loop_
      _Gen_dist_constraint_parse_err.ID
      _Gen_dist_constraint_parse_err.Content
      _Gen_dist_constraint_parse_err.Begin_line
      _Gen_dist_constraint_parse_err.Begin_column
      _Gen_dist_constraint_parse_err.End_line
      _Gen_dist_constraint_parse_err.End_column
      _Gen_dist_constraint_parse_err.Entry_ID
      _Gen_dist_constraint_parse_err.Gen_dist_constraint_list_ID

     1   Aromatic   67   1   67   8   rr_2jzo   1    

   stop_

   loop_
      _Gen_dist_constraint_comment_org.ID
      _Gen_dist_constraint_comment_org.Comment_text
      _Gen_dist_constraint_comment_org.Comment_begin_line
      _Gen_dist_constraint_comment_org.Comment_begin_column
      _Gen_dist_constraint_comment_org.Comment_end_line
      _Gen_dist_constraint_comment_org.Comment_end_column
      _Gen_dist_constraint_comment_org.Entry_ID
      _Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID

     1    
;
!! The residue numbering used for IIBMan in the restraints list adds 50 to
!! the residue numbers in intact IIABMan. The latter is used for the coordinate
!! deposition. i.e. residues 209-373 in the restraints = residues 159-323 in
!! intact IIABMan and in the deposited coordinates of the non-productive
!! IIAMan-IIBMan complex.
A
Intermolecular NOE data for the wild type IIAMan-IIBMan sample.
The sample comprises two species: a major non-productive complex
and a minor productive complex. The NOEs are represented as
(sigma(r-6)-1/6 sums involving both productive and non-productive complexes
In the calculation, IIBMan in the productive complex is held fixed at
the positions determined from the NOE data obtained on the IIAMan(H10E)-IIBMan
sample which is 100% in the productive form. The coordinates of IIBMan
in the non-productive complex are treated as a rigid body with translational and
rotational degrees of freedom. Interfacial side chains are given torsional degrees of freedom.
M23 A
;
1     1    20    8    rr_2jzo   1    
     2    'L24 A'                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                    25    1    25    8    rr_2jzo   1    
     3    'L25 or V99 A'                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                             42    1    42    15   rr_2jzo   1    
     4    1.5                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                        45    69   45    74   rr_2jzo   1    
     5    1.5                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                        47    69   47    74   rr_2jzo   1    
     6    '1H 6.77 ppm'                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                              68    1    68    14   rr_2jzo   1    
     7    '1H 7.04 ppm'                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                              78    1    78    16   rr_2jzo   1    
     8    '1H 7.32 ppm'                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                              96    1    96    14   rr_2jzo   1    
     9    '1H 7.73 ppm'                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                              104   1    104   14   rr_2jzo   1    
     10   'M103 A'                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                   115   1    115   9    rr_2jzo   1    

   stop_

   loop_
      _Gen_dist_constraint_conv_err.ID
      _Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID
      _Gen_dist_constraint_conv_err.Parse_file_constraint_ID
      _Gen_dist_constraint_conv_err.Conv_error_type
      _Gen_dist_constraint_conv_err.Conv_error_note
      _Gen_dist_constraint_conv_err.Entry_ID
      _Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID

     1     2   1    1   "Not handling restraint 1, item 1, resonance(s) 'D.257.HD2#' (nmrStar names) not linked"                               rr_2jzo   1    
     2     2   2    1   "Not handling restraint 2, item 1, resonance(s) 'D.253.HG1#' (nmrStar names) not linked"                               rr_2jzo   1    
     3     2   3    1   "Not handling restraint 3, item 1, resonance(s) 'D.253.HG2#' (nmrStar names) not linked"                               rr_2jzo   1    
     4     2   4    1   "Not handling restraint 4, item 1, resonance(s) 'D.253.HG1#' (nmrStar names) not linked"                               rr_2jzo   1    
     5     2   5    1   "Not handling restraint 5, item 1, resonance(s) 'D.253.HG2#' (nmrStar names) not linked"                               rr_2jzo   1    
     6     2   6    1   "Not handling restraint 6, item 1, resonance(s) 'D.257.HD1#' (nmrStar names) not linked"                               rr_2jzo   1    
     7     2   7    1   "Not handling restraint 7, item 1, resonance(s) 'D.257.HD2#' (nmrStar names) not linked"                               rr_2jzo   1    
     8     2   8    1   "Not handling restraint 8, item 1, resonance(s) 'C.256.HG2#' (nmrStar names) not linked"                               rr_2jzo   1    
     9     2   8    1   "Not handling restraint 8, item 1, resonance(s) 'D.256.HG2#' (nmrStar names) not linked"                               rr_2jzo   1    
     10    2   9    1   "Not handling restraint 9, item 1, resonance(s) 'D.253.HG1#' (nmrStar names) not linked"                               rr_2jzo   1    
     11    2   10   1   "Not handling restraint 10, item 1, resonance(s) 'D.253.HG2#' (nmrStar names) not linked"                              rr_2jzo   1    
     12    2   11   1   "Not handling restraint 11, item 1, resonance(s) 'D.257.HD1#' (nmrStar names) not linked"                              rr_2jzo   1    
     13    2   12   1   "Not handling restraint 12, item 1, resonance(s) 'D.257.HD2#' (nmrStar names) not linked"                              rr_2jzo   1    
     14    2   13   1   "Not handling restraint 13, item 1, resonance(s) 'C.256.HG2#' (nmrStar names) not linked"                              rr_2jzo   1    
     15    2   13   1   "Not handling restraint 13, item 1, resonance(s) 'D.256.HG2#' (nmrStar names) not linked"                              rr_2jzo   1    
     16    2   14   1   "Not handling restraint 14, item 1, resonance(s) 'D.253.HG1#' (nmrStar names) not linked"                              rr_2jzo   1    
     17    2   14   1   "Not handling restraint 14, item 1, resonance(s) 'D.253.HG1#' (nmrStar names) not linked"                              rr_2jzo   1    
     18    2   15   1   "Not handling restraint 15, item 1, resonance(s) 'D.253.HG1#' (nmrStar names) not linked"                              rr_2jzo   1    
     19    2   15   1   "Not handling restraint 15, item 1, resonance(s) 'D.253.HG1#' (nmrStar names) not linked"                              rr_2jzo   1    
     20    2   16   1   "Not handling restraint 16, item 1, resonance(s) 'D.257.HD1#' (nmrStar names) not linked"                              rr_2jzo   1    
     21    2   16   1   "Not handling restraint 16, item 1, resonance(s) 'D.257.HD1#' (nmrStar names) not linked"                              rr_2jzo   1    
     22    2   17   1   "Not handling restraint 17, item 1, resonance(s) 'D.257.HD2#' (nmrStar names) not linked"                              rr_2jzo   1    
     23    2   17   1   "Not handling restraint 17, item 1, resonance(s) 'D.257.HD2#' (nmrStar names) not linked"                              rr_2jzo   1    
     24    2   18   1   "Not handling restraint 18, item 1, resonance(s) 'D.257.HD1#' (nmrStar names) not linked"                              rr_2jzo   1    
     25    2   18   1   "Not handling restraint 18, item 1, resonance(s) 'D.257.HD1#' (nmrStar names) not linked"                              rr_2jzo   1    
     26    2   19   1   "Not handling restraint 19, item 1, resonance(s) 'D.257.HD2#' (nmrStar names) not linked"                              rr_2jzo   1    
     27    2   19   1   "Not handling restraint 19, item 1, resonance(s) 'D.257.HD2#' (nmrStar names) not linked"                              rr_2jzo   1    
     28    2   20   1   "Not handling restraint 20, item 1, resonance(s) 'C.256.HG2#' (nmrStar names) not linked"                              rr_2jzo   1    
     29    2   20   1   "Not handling restraint 20, item 1, resonance(s) 'C.256.HG2#' (nmrStar names) not linked"                              rr_2jzo   1    
     30    2   20   1   "Not handling restraint 20, item 1, resonance(s) 'D.256.HG2#' (nmrStar names) not linked"                              rr_2jzo   1    
     31    2   20   1   "Not handling restraint 20, item 1, resonance(s) 'D.256.HG2#' (nmrStar names) not linked"                              rr_2jzo   1    
     32    2   21   1   "Not handling restraint 21, item 1, resonance(s) 'C.256.HG2#' (nmrStar names) not linked"                              rr_2jzo   1    
     33    2   21   1   "Not handling restraint 21, item 1, resonance(s) 'C.256.HG2#' (nmrStar names) not linked"                              rr_2jzo   1    
     34    2   21   1   "Not handling restraint 21, item 1, resonance(s) 'D.256.HG2#' (nmrStar names) not linked"                              rr_2jzo   1    
     35    2   21   1   "Not handling restraint 21, item 1, resonance(s) 'D.256.HG2#' (nmrStar names) not linked"                              rr_2jzo   1    
     36    2   22   1   "Not handling restraint 22, item 2, resonance(s) 'B.10.HD2' (nmrStar names) not linked"                                rr_2jzo   1    
     37    2   22   1   "Not handling restraint 22, item 2, resonance(s) 'D.253.HG1#' (nmrStar names),'B.10.HD2' (nmrStar names) not linked"   rr_2jzo   1    
     38    2   22   1   "Not handling restraint 22, item 3, resonance(s) 'B.36.HE#' (nmrStar names) not linked"                                rr_2jzo   1    
     39    2   22   1   "Not handling restraint 22, item 3, resonance(s) 'D.253.HG1#' (nmrStar names),'B.36.HE#' (nmrStar names) not linked"   rr_2jzo   1    
     40    2   23   1   "Not handling restraint 23, item 2, resonance(s) 'B.10.HD2' (nmrStar names) not linked"                                rr_2jzo   1    
     41    2   23   1   "Not handling restraint 23, item 2, resonance(s) 'B.10.HD2' (nmrStar names),'C.252.HG2#' (nmrStar names) not linked"   rr_2jzo   1    
     42    2   23   1   "Not handling restraint 23, item 2, resonance(s) 'B.10.HD2' (nmrStar names),'D.252.HG2#' (nmrStar names) not linked"   rr_2jzo   1    
     43    2   23   1   "Not handling restraint 23, item 2, resonance(s) 'B.10.HD2' (nmrStar names),'D.259.HG2#' (nmrStar names) not linked"   rr_2jzo   1    
     44    2   23   1   "Not handling restraint 23, item 2, resonance(s) 'C.256.HG2#' (nmrStar names),'B.10.HD2' (nmrStar names) not linked"   rr_2jzo   1    
     45    2   23   1   "Not handling restraint 23, item 2, resonance(s) 'D.256.HG2#' (nmrStar names),'B.10.HD2' (nmrStar names) not linked"   rr_2jzo   1    
     46    2   23   1   "Not handling restraint 23, item 3, resonance(s) 'B.36.HE#' (nmrStar names) not linked"                                rr_2jzo   1    
     47    2   23   1   "Not handling restraint 23, item 3, resonance(s) 'B.36.HE#' (nmrStar names),'C.252.HG2#' (nmrStar names) not linked"   rr_2jzo   1    
     48    2   23   1   "Not handling restraint 23, item 3, resonance(s) 'B.36.HE#' (nmrStar names),'D.252.HG2#' (nmrStar names) not linked"   rr_2jzo   1    
     49    2   23   1   "Not handling restraint 23, item 3, resonance(s) 'B.36.HE#' (nmrStar names),'D.259.HG2#' (nmrStar names) not linked"   rr_2jzo   1    
     50    2   23   1   "Not handling restraint 23, item 3, resonance(s) 'C.256.HG2#' (nmrStar names),'B.36.HE#' (nmrStar names) not linked"   rr_2jzo   1    
     51    2   23   1   "Not handling restraint 23, item 3, resonance(s) 'D.256.HG2#' (nmrStar names),'B.36.HE#' (nmrStar names) not linked"   rr_2jzo   1    
     52    2   24   1   "Not handling restraint 24, item 2, resonance(s) 'B.10.HD2' (nmrStar names) not linked"                                rr_2jzo   1    
     53    2   24   1   "Not handling restraint 24, item 2, resonance(s) 'D.253.HG1#' (nmrStar names),'B.10.HD2' (nmrStar names) not linked"   rr_2jzo   1    
     54    2   24   1   "Not handling restraint 24, item 3, resonance(s) 'B.36.HD#' (nmrStar names) not linked"                                rr_2jzo   1    
     55    2   24   1   "Not handling restraint 24, item 3, resonance(s) 'B.36.HE#' (nmrStar names) not linked"                                rr_2jzo   1    
     56    2   24   1   "Not handling restraint 24, item 3, resonance(s) 'B.36.HZ' (nmrStar names) not linked"                                 rr_2jzo   1    
     57    2   24   1   "Not handling restraint 24, item 3, resonance(s) 'D.253.HG1#' (nmrStar names),'B.36.HD#' (nmrStar names) not linked"   rr_2jzo   1    
     58    2   24   1   "Not handling restraint 24, item 3, resonance(s) 'D.253.HG1#' (nmrStar names),'B.36.HE#' (nmrStar names) not linked"   rr_2jzo   1    
     59    2   24   1   "Not handling restraint 24, item 3, resonance(s) 'D.253.HG1#' (nmrStar names),'B.36.HZ' (nmrStar names) not linked"    rr_2jzo   1    
     60    2   25   1   "Not handling restraint 25, item 2, resonance(s) 'B.10.HD2' (nmrStar names) not linked"                                rr_2jzo   1    
     61    2   25   1   "Not handling restraint 25, item 2, resonance(s) 'D.253.HG2#' (nmrStar names),'B.10.HD2' (nmrStar names) not linked"   rr_2jzo   1    
     62    2   25   1   "Not handling restraint 25, item 3, resonance(s) 'B.36.HD#' (nmrStar names) not linked"                                rr_2jzo   1    
     63    2   25   1   "Not handling restraint 25, item 3, resonance(s) 'B.36.HE#' (nmrStar names) not linked"                                rr_2jzo   1    
     64    2   25   1   "Not handling restraint 25, item 3, resonance(s) 'B.36.HZ' (nmrStar names) not linked"                                 rr_2jzo   1    
     65    2   25   1   "Not handling restraint 25, item 3, resonance(s) 'D.253.HG2#' (nmrStar names),'B.36.HD#' (nmrStar names) not linked"   rr_2jzo   1    
     66    2   25   1   "Not handling restraint 25, item 3, resonance(s) 'D.253.HG2#' (nmrStar names),'B.36.HE#' (nmrStar names) not linked"   rr_2jzo   1    
     67    2   25   1   "Not handling restraint 25, item 3, resonance(s) 'D.253.HG2#' (nmrStar names),'B.36.HZ' (nmrStar names) not linked"    rr_2jzo   1    
     68    2   26   1   "Not handling restraint 26, item 2, resonance(s) 'B.10.HD2' (nmrStar names) not linked"                                rr_2jzo   1    
     69    2   26   1   "Not handling restraint 26, item 2, resonance(s) 'D.257.HD2#' (nmrStar names),'B.10.HD2' (nmrStar names) not linked"   rr_2jzo   1    
     70    2   26   1   "Not handling restraint 26, item 3, resonance(s) 'B.36.HD#' (nmrStar names) not linked"                                rr_2jzo   1    
     71    2   26   1   "Not handling restraint 26, item 3, resonance(s) 'B.36.HE#' (nmrStar names) not linked"                                rr_2jzo   1    
     72    2   26   1   "Not handling restraint 26, item 3, resonance(s) 'B.36.HZ' (nmrStar names) not linked"                                 rr_2jzo   1    
     73    2   26   1   "Not handling restraint 26, item 3, resonance(s) 'D.257.HD2#' (nmrStar names),'B.36.HD#' (nmrStar names) not linked"   rr_2jzo   1    
     74    2   26   1   "Not handling restraint 26, item 3, resonance(s) 'D.257.HD2#' (nmrStar names),'B.36.HE#' (nmrStar names) not linked"   rr_2jzo   1    
     75    2   26   1   "Not handling restraint 26, item 3, resonance(s) 'D.257.HD2#' (nmrStar names),'B.36.HZ' (nmrStar names) not linked"    rr_2jzo   1    
     76    2   27   1   "Not handling restraint 27, item 2, resonance(s) 'B.10.HD2' (nmrStar names) not linked"                                rr_2jzo   1    
     77    2   27   1   "Not handling restraint 27, item 2, resonance(s) 'B.10.HD2' (nmrStar names),'C.252.HG2#' (nmrStar names) not linked"   rr_2jzo   1    
     78    2   27   1   "Not handling restraint 27, item 2, resonance(s) 'B.10.HD2' (nmrStar names),'D.252.HG2#' (nmrStar names) not linked"   rr_2jzo   1    
     79    2   27   1   "Not handling restraint 27, item 2, resonance(s) 'B.10.HD2' (nmrStar names),'D.259.HG2#' (nmrStar names) not linked"   rr_2jzo   1    
     80    2   27   1   "Not handling restraint 27, item 2, resonance(s) 'C.256.HG2#' (nmrStar names),'B.10.HD2' (nmrStar names) not linked"   rr_2jzo   1    
     81    2   27   1   "Not handling restraint 27, item 2, resonance(s) 'D.256.HG2#' (nmrStar names),'B.10.HD2' (nmrStar names) not linked"   rr_2jzo   1    
     82    2   27   1   "Not handling restraint 27, item 3, resonance(s) 'B.36.HD#' (nmrStar names) not linked"                                rr_2jzo   1    
     83    2   27   1   "Not handling restraint 27, item 3, resonance(s) 'B.36.HE#' (nmrStar names) not linked"                                rr_2jzo   1    
     84    2   27   1   "Not handling restraint 27, item 3, resonance(s) 'B.36.HE#' (nmrStar names),'C.252.HG2#' (nmrStar names) not linked"   rr_2jzo   1    
     85    2   27   1   "Not handling restraint 27, item 3, resonance(s) 'B.36.HE#' (nmrStar names),'D.252.HG2#' (nmrStar names) not linked"   rr_2jzo   1    
     86    2   27   1   "Not handling restraint 27, item 3, resonance(s) 'B.36.HE#' (nmrStar names),'D.259.HG2#' (nmrStar names) not linked"   rr_2jzo   1    
     87    2   27   1   "Not handling restraint 27, item 3, resonance(s) 'B.36.HZ' (nmrStar names) not linked"                                 rr_2jzo   1    
     88    2   27   1   "Not handling restraint 27, item 3, resonance(s) 'C.252.HG2#' (nmrStar names),'B.36.HD#' (nmrStar names) not linked"   rr_2jzo   1    
     89    2   27   1   "Not handling restraint 27, item 3, resonance(s) 'C.252.HG2#' (nmrStar names),'B.36.HZ' (nmrStar names) not linked"    rr_2jzo   1    
     90    2   27   1   "Not handling restraint 27, item 3, resonance(s) 'C.256.HG2#' (nmrStar names),'B.36.HD#' (nmrStar names) not linked"   rr_2jzo   1    
     91    2   27   1   "Not handling restraint 27, item 3, resonance(s) 'C.256.HG2#' (nmrStar names),'B.36.HE#' (nmrStar names) not linked"   rr_2jzo   1    
     92    2   27   1   "Not handling restraint 27, item 3, resonance(s) 'C.256.HG2#' (nmrStar names),'B.36.HZ' (nmrStar names) not linked"    rr_2jzo   1    
     93    2   27   1   "Not handling restraint 27, item 3, resonance(s) 'D.252.HG2#' (nmrStar names),'B.36.HD#' (nmrStar names) not linked"   rr_2jzo   1    
     94    2   27   1   "Not handling restraint 27, item 3, resonance(s) 'D.252.HG2#' (nmrStar names),'B.36.HZ' (nmrStar names) not linked"    rr_2jzo   1    
     95    2   27   1   "Not handling restraint 27, item 3, resonance(s) 'D.256.HG2#' (nmrStar names),'B.36.HD#' (nmrStar names) not linked"   rr_2jzo   1    
     96    2   27   1   "Not handling restraint 27, item 3, resonance(s) 'D.256.HG2#' (nmrStar names),'B.36.HE#' (nmrStar names) not linked"   rr_2jzo   1    
     97    2   27   1   "Not handling restraint 27, item 3, resonance(s) 'D.256.HG2#' (nmrStar names),'B.36.HZ' (nmrStar names) not linked"    rr_2jzo   1    
     98    2   27   1   "Not handling restraint 27, item 3, resonance(s) 'D.259.HG2#' (nmrStar names),'B.36.HD#' (nmrStar names) not linked"   rr_2jzo   1    
     99    2   27   1   "Not handling restraint 27, item 3, resonance(s) 'D.259.HG2#' (nmrStar names),'B.36.HZ' (nmrStar names) not linked"    rr_2jzo   1    
     100   2   28   1   "Not handling restraint 28, item 2, resonance(s) 'B.10.HD2' (nmrStar names) not linked"                                rr_2jzo   1    
     101   2   28   1   "Not handling restraint 28, item 2, resonance(s) 'D.253.HG1#' (nmrStar names),'B.10.HD2' (nmrStar names) not linked"   rr_2jzo   1    
     102   2   28   1   "Not handling restraint 28, item 3, resonance(s) 'B.36.HE#' (nmrStar names) not linked"                                rr_2jzo   1    
     103   2   28   1   "Not handling restraint 28, item 3, resonance(s) 'B.36.HZ' (nmrStar names) not linked"                                 rr_2jzo   1    
     104   2   28   1   "Not handling restraint 28, item 3, resonance(s) 'D.253.HG1#' (nmrStar names),'B.36.HE#' (nmrStar names) not linked"   rr_2jzo   1    
     105   2   28   1   "Not handling restraint 28, item 3, resonance(s) 'D.253.HG1#' (nmrStar names),'B.36.HZ' (nmrStar names) not linked"    rr_2jzo   1    
     106   2   29   1   "Not handling restraint 29, item 2, resonance(s) 'B.10.HD2' (nmrStar names) not linked"                                rr_2jzo   1    
     107   2   29   1   "Not handling restraint 29, item 2, resonance(s) 'D.253.HG2#' (nmrStar names),'B.10.HD2' (nmrStar names) not linked"   rr_2jzo   1    
     108   2   29   1   "Not handling restraint 29, item 3, resonance(s) 'B.36.HE#' (nmrStar names) not linked"                                rr_2jzo   1    
     109   2   29   1   "Not handling restraint 29, item 3, resonance(s) 'B.36.HZ' (nmrStar names) not linked"                                 rr_2jzo   1    
     110   2   29   1   "Not handling restraint 29, item 3, resonance(s) 'D.253.HG2#' (nmrStar names),'B.36.HE#' (nmrStar names) not linked"   rr_2jzo   1    
     111   2   29   1   "Not handling restraint 29, item 3, resonance(s) 'D.253.HG2#' (nmrStar names),'B.36.HZ' (nmrStar names) not linked"    rr_2jzo   1    
     112   2   30   1   "Not handling restraint 30, item 1, resonance(s) 'B.10.HE1' (nmrStar names) not linked"                                rr_2jzo   1    
     113   2   30   1   "Not handling restraint 30, item 1, resonance(s) 'D.253.HG1#' (nmrStar names),'B.10.HE1' (nmrStar names) not linked"   rr_2jzo   1    
     114   2   31   1   "Not handling restraint 31, item 1, resonance(s) 'B.10.HE1' (nmrStar names) not linked"                                rr_2jzo   1    
     115   2   31   1   "Not handling restraint 31, item 1, resonance(s) 'D.253.HG2#' (nmrStar names),'B.10.HE1' (nmrStar names) not linked"   rr_2jzo   1    
     116   2   32   1   "Not handling restraint 32, item 1, resonance(s) 'B.10.HE1' (nmrStar names) not linked"                                rr_2jzo   1    
     117   2   32   1   "Not handling restraint 32, item 1, resonance(s) 'C.252.HG2#' (nmrStar names),'B.10.HE1' (nmrStar names) not linked"   rr_2jzo   1    
     118   2   32   1   "Not handling restraint 32, item 1, resonance(s) 'C.256.HG2#' (nmrStar names),'B.10.HE1' (nmrStar names) not linked"   rr_2jzo   1    
     119   2   32   1   "Not handling restraint 32, item 1, resonance(s) 'D.252.HG2#' (nmrStar names),'B.10.HE1' (nmrStar names) not linked"   rr_2jzo   1    
     120   2   32   1   "Not handling restraint 32, item 1, resonance(s) 'D.256.HG2#' (nmrStar names),'B.10.HE1' (nmrStar names) not linked"   rr_2jzo   1    
     121   2   32   1   "Not handling restraint 32, item 1, resonance(s) 'D.259.HG2#' (nmrStar names),'B.10.HE1' (nmrStar names) not linked"   rr_2jzo   1    
     122   2   33   1   "Not handling restraint 33, item 1, resonance(s) 'D.257.HD1#' (nmrStar names) not linked"                              rr_2jzo   1    
     123   2   34   1   "Not handling restraint 34, item 1, resonance(s) 'D.257.HD2#' (nmrStar names) not linked"                              rr_2jzo   1    
     124   2   35   1   "Not handling restraint 35, item 1, resonance(s) 'D.261.HG1#' (nmrStar names) not linked"                              rr_2jzo   1    
     125   2   36   1   "Not handling restraint 36, item 1, resonance(s) 'D.261.HG2#' (nmrStar names) not linked"                              rr_2jzo   1    
     126   2   37   1   "Not handling restraint 37, item 1, resonance(s) 'C.233.HG2#' (nmrStar names) not linked"                              rr_2jzo   1    
     127   2   37   1   "Not handling restraint 37, item 1, resonance(s) 'C.256.HG2#' (nmrStar names) not linked"                              rr_2jzo   1    
     128   2   37   1   "Not handling restraint 37, item 1, resonance(s) 'D.230.HG2#' (nmrStar names) not linked"                              rr_2jzo   1    
     129   2   37   1   "Not handling restraint 37, item 1, resonance(s) 'D.233.HG2#' (nmrStar names) not linked"                              rr_2jzo   1    
     130   2   37   1   "Not handling restraint 37, item 1, resonance(s) 'D.256.HG2#' (nmrStar names) not linked"                              rr_2jzo   1    
     131   2   38   1   "Not handling restraint 38, item 1, resonance(s) 'C.234.HE#' (nmrStar names) not linked"                               rr_2jzo   1    
     132   2   38   1   "Not handling restraint 38, item 1, resonance(s) 'D.234.HE#' (nmrStar names) not linked"                               rr_2jzo   1    
     133   2   39   1   "Not handling restraint 39, item 1, resonance(s) 'C.234.HD#' (nmrStar names) not linked"                               rr_2jzo   1    
     134   2   39   1   "Not handling restraint 39, item 1, resonance(s) 'D.234.HD#' (nmrStar names) not linked"                               rr_2jzo   1    
     135   2   40   1   "Not handling restraint 40, item 1, resonance(s) 'C.234.HG#' (nmrStar names) not linked"                               rr_2jzo   1    
     136   2   40   1   "Not handling restraint 40, item 1, resonance(s) 'D.234.HG#' (nmrStar names) not linked"                               rr_2jzo   1    
     137   2   41   1   "Not handling restraint 41, item 1, resonance(s) 'C.231.HD#' (nmrStar names) not linked"                               rr_2jzo   1    
     138   2   41   1   "Not handling restraint 41, item 1, resonance(s) 'D.231.HD#' (nmrStar names) not linked"                               rr_2jzo   1    

   stop_

save_

save_CNS/XPLOR_dihedral_3
   _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints
   _Torsion_angle_constraint_list.Sf_framecode        CNS/XPLOR_dihedral_3
   _Torsion_angle_constraint_list.Entry_ID            rr_2jzo
   _Torsion_angle_constraint_list.ID                  1
   _Torsion_angle_constraint_list.Details             'Generated by Wattos'
   _Torsion_angle_constraint_list.Constraint_file_ID  1
   _Torsion_angle_constraint_list.Block_ID            3

   loop_
      _Torsion_angle_constraint_software.Software_ID
      _Torsion_angle_constraint_software.Software_label
      _Torsion_angle_constraint_software.Method_ID
      _Torsion_angle_constraint_software.Method_label
      _Torsion_angle_constraint_software.Entry_ID
      _Torsion_angle_constraint_software.Torsion_angle_constraint_list_ID

     .   .   .   .   rr_2jzo   1    

   stop_

   loop_
      _Torsion_angle_constraint.ID
      _Torsion_angle_constraint.Torsion_angle_name
      _Torsion_angle_constraint.Assembly_atom_ID_1
      _Torsion_angle_constraint.Entity_assembly_ID_1
      _Torsion_angle_constraint.Entity_ID_1
      _Torsion_angle_constraint.Comp_index_ID_1
      _Torsion_angle_constraint.Seq_ID_1
      _Torsion_angle_constraint.Comp_ID_1
      _Torsion_angle_constraint.Atom_ID_1
      _Torsion_angle_constraint.Atom_type_1
      _Torsion_angle_constraint.Resonance_ID_1
      _Torsion_angle_constraint.Assembly_atom_ID_2
      _Torsion_angle_constraint.Entity_assembly_ID_2
      _Torsion_angle_constraint.Entity_ID_2
      _Torsion_angle_constraint.Comp_index_ID_2
      _Torsion_angle_constraint.Seq_ID_2
      _Torsion_angle_constraint.Comp_ID_2
      _Torsion_angle_constraint.Atom_ID_2
      _Torsion_angle_constraint.Atom_type_2
      _Torsion_angle_constraint.Resonance_ID_2
      _Torsion_angle_constraint.Assembly_atom_ID_3
      _Torsion_angle_constraint.Entity_assembly_ID_3
      _Torsion_angle_constraint.Entity_ID_3
      _Torsion_angle_constraint.Comp_index_ID_3
      _Torsion_angle_constraint.Seq_ID_3
      _Torsion_angle_constraint.Comp_ID_3
      _Torsion_angle_constraint.Atom_ID_3
      _Torsion_angle_constraint.Atom_type_3
      _Torsion_angle_constraint.Resonance_ID_3
      _Torsion_angle_constraint.Assembly_atom_ID_4
      _Torsion_angle_constraint.Entity_assembly_ID_4
      _Torsion_angle_constraint.Entity_ID_4
      _Torsion_angle_constraint.Comp_index_ID_4
      _Torsion_angle_constraint.Seq_ID_4
      _Torsion_angle_constraint.Comp_ID_4
      _Torsion_angle_constraint.Atom_ID_4
      _Torsion_angle_constraint.Atom_type_4
      _Torsion_angle_constraint.Resonance_ID_4
      _Torsion_angle_constraint.Angle_lower_bound_val
      _Torsion_angle_constraint.Angle_upper_bound_val
      _Torsion_angle_constraint.Source_experiment_ID
      _Torsion_angle_constraint.PDB_record_ID_1
      _Torsion_angle_constraint.PDB_model_num_1
      _Torsion_angle_constraint.PDB_strand_ID_1
      _Torsion_angle_constraint.PDB_ins_code_1
      _Torsion_angle_constraint.PDB_residue_no_1
      _Torsion_angle_constraint.PDB_residue_name_1
      _Torsion_angle_constraint.PDB_atom_name_1
      _Torsion_angle_constraint.PDB_record_ID_2
      _Torsion_angle_constraint.PDB_model_num_2
      _Torsion_angle_constraint.PDB_strand_ID_2
      _Torsion_angle_constraint.PDB_ins_code_2
      _Torsion_angle_constraint.PDB_residue_no_2
      _Torsion_angle_constraint.PDB_residue_name_2
      _Torsion_angle_constraint.PDB_atom_name_2
      _Torsion_angle_constraint.PDB_record_ID_3
      _Torsion_angle_constraint.PDB_model_num_3
      _Torsion_angle_constraint.PDB_strand_ID_3
      _Torsion_angle_constraint.PDB_ins_code_3
      _Torsion_angle_constraint.PDB_residue_no_3
      _Torsion_angle_constraint.PDB_residue_name_3
      _Torsion_angle_constraint.PDB_atom_name_3
      _Torsion_angle_constraint.PDB_record_ID_4
      _Torsion_angle_constraint.PDB_model_num_4
      _Torsion_angle_constraint.PDB_strand_ID_4
      _Torsion_angle_constraint.PDB_ins_code_4
      _Torsion_angle_constraint.PDB_residue_no_4
      _Torsion_angle_constraint.PDB_residue_name_4
      _Torsion_angle_constraint.PDB_atom_name_4
      _Torsion_angle_constraint.Auth_entity_assembly_ID_1
      _Torsion_angle_constraint.Auth_asym_ID_1
      _Torsion_angle_constraint.Auth_chain_ID_1
      _Torsion_angle_constraint.Auth_seq_ID_1
      _Torsion_angle_constraint.Auth_comp_ID_1
      _Torsion_angle_constraint.Auth_atom_ID_1
      _Torsion_angle_constraint.Auth_alt_ID_1
      _Torsion_angle_constraint.Auth_atom_name_1
      _Torsion_angle_constraint.Auth_entity_assembly_ID_2
      _Torsion_angle_constraint.Auth_asym_ID_2
      _Torsion_angle_constraint.Auth_chain_ID_2
      _Torsion_angle_constraint.Auth_seq_ID_2
      _Torsion_angle_constraint.Auth_comp_ID_2
      _Torsion_angle_constraint.Auth_atom_ID_2
      _Torsion_angle_constraint.Auth_alt_ID_2
      _Torsion_angle_constraint.Auth_atom_name_2
      _Torsion_angle_constraint.Auth_entity_assembly_ID_3
      _Torsion_angle_constraint.Auth_asym_ID_3
      _Torsion_angle_constraint.Auth_chain_ID_3
      _Torsion_angle_constraint.Auth_seq_ID_3
      _Torsion_angle_constraint.Auth_comp_ID_3
      _Torsion_angle_constraint.Auth_atom_ID_3
      _Torsion_angle_constraint.Auth_alt_ID_3
      _Torsion_angle_constraint.Auth_atom_name_3
      _Torsion_angle_constraint.Auth_entity_assembly_ID_4
      _Torsion_angle_constraint.Auth_asym_ID_4
      _Torsion_angle_constraint.Auth_chain_ID_4
      _Torsion_angle_constraint.Auth_seq_ID_4
      _Torsion_angle_constraint.Auth_comp_ID_4
      _Torsion_angle_constraint.Auth_atom_ID_4
      _Torsion_angle_constraint.Auth_alt_ID_4
      _Torsion_angle_constraint.Auth_atom_name_4
      _Torsion_angle_constraint.Entry_ID
      _Torsion_angle_constraint.Torsion_angle_constraint_list_ID

     1    .   .   1   1   22    22    MET   N    N   .   .   1   1   22    22    MET   CA   C   .   .   1   1   22    22    MET   CB    C   .   .   1   1   22    22    MET   CG    C   .   160.0    200.0   .   .   .   A   .   23    MET   N    .   .   A   .   23    MET   CA   .   .   A   .   23    MET   CB    .   .   A   .   23    MET   CG    .   A   .   23    .   N    .   .   .   A   .   23    .   CA   .   .   .   A   .   23    .   CB    .   .   .   A   .   23    .   CG    .   .   rr_2jzo   1    
     2    .   .   1   1   23    23    LEU   N    N   .   .   1   1   23    23    LEU   CA   C   .   .   1   1   23    23    LEU   CB    C   .   .   1   1   23    23    LEU   CG    C   .   -80.0    -40.0   .   .   .   A   .   24    LEU   N    .   .   A   .   24    LEU   CA   .   .   A   .   24    LEU   CB    .   .   A   .   24    LEU   CG    .   A   .   24    .   N    .   .   .   A   .   24    .   CA   .   .   .   A   .   24    .   CB    .   .   .   A   .   24    .   CG    .   .   rr_2jzo   1    
     3    .   .   1   1   23    23    LEU   CA   C   .   .   1   1   23    23    LEU   CB   C   .   .   1   1   23    23    LEU   CG    C   .   .   1   1   23    23    LEU   CD1   C   .   160.0    200.0   .   .   .   A   .   24    LEU   CA   .   .   A   .   24    LEU   CB   .   .   A   .   24    LEU   CG    .   .   A   .   24    LEU   CD1   .   A   .   24    .   CA   .   .   .   A   .   24    .   CB   .   .   .   A   .   24    .   CG    .   .   .   A   .   24    .   CD1   .   .   rr_2jzo   1    
     4    .   .   1   1   24    24    LEU   N    N   .   .   1   1   24    24    LEU   CA   C   .   .   1   1   24    24    LEU   CB    C   .   .   1   1   24    24    LEU   CG    C   .   -80.0    -40.0   .   .   .   A   .   25    LEU   N    .   .   A   .   25    LEU   CA   .   .   A   .   25    LEU   CB    .   .   A   .   25    LEU   CG    .   A   .   25    .   N    .   .   .   A   .   25    .   CA   .   .   .   A   .   25    .   CB    .   .   .   A   .   25    .   CG    .   .   rr_2jzo   1    
     5    .   .   1   1   24    24    LEU   CA   C   .   .   1   1   24    24    LEU   CB   C   .   .   1   1   24    24    LEU   CG    C   .   .   1   1   24    24    LEU   CD1   C   .   160.0    200.0   .   .   .   A   .   25    LEU   CA   .   .   A   .   25    LEU   CB   .   .   A   .   25    LEU   CG    .   .   A   .   25    LEU   CD1   .   A   .   25    .   CA   .   .   .   A   .   25    .   CB   .   .   .   A   .   25    .   CG    .   .   .   A   .   25    .   CD1   .   .   rr_2jzo   1    
     6    .   .   1   1   94    94    ILE   N    N   .   .   1   1   94    94    ILE   CA   C   .   .   1   1   94    94    ILE   CB    C   .   .   1   1   94    94    ILE   CG1   C   .   -80.0    -40.0   .   .   .   A   .   95    ILE   N    .   .   A   .   95    ILE   CA   .   .   A   .   95    ILE   CB    .   .   A   .   95    ILE   CG1   .   A   .   95    .   N    .   .   .   A   .   95    .   CA   .   .   .   A   .   95    .   CB    .   .   .   A   .   95    .   CG1   .   .   rr_2jzo   1    
     7    .   .   1   1   94    94    ILE   CA   C   .   .   1   1   94    94    ILE   CB   C   .   .   1   1   94    94    ILE   CG1   C   .   .   1   1   94    94    ILE   CD1   C   .   -80.0    -40.0   .   .   .   A   .   95    ILE   CA   .   .   A   .   95    ILE   CB   .   .   A   .   95    ILE   CG1   .   .   A   .   95    ILE   CD1   .   A   .   95    .   CA   .   .   .   A   .   95    .   CB   .   .   .   A   .   95    .   CG1   .   .   .   A   .   95    .   CD1   .   .   rr_2jzo   1    
     8    .   .   1   1   98    98    VAL   N    N   .   .   1   1   98    98    VAL   CA   C   .   .   1   1   98    98    VAL   CB    C   .   .   1   1   98    98    VAL   CG1   C   .   160.0    200.0   .   .   .   A   .   99    VAL   N    .   .   A   .   99    VAL   CA   .   .   A   .   99    VAL   CB    .   .   A   .   99    VAL   CG1   .   A   .   99    .   N    .   .   .   A   .   99    .   CA   .   .   .   A   .   99    .   CB    .   .   .   A   .   99    .   CG1   .   .   rr_2jzo   1    
     9    .   .   1   1   102   102   MET   N    N   .   .   1   1   102   102   MET   CA   C   .   .   1   1   102   102   MET   CB    C   .   .   1   1   102   102   MET   CG    C   .   -80.0    -40.0   .   .   .   A   .   103   MET   N    .   .   A   .   103   MET   CA   .   .   A   .   103   MET   CB    .   .   A   .   103   MET   CG    .   A   .   103   .   N    .   .   .   A   .   103   .   CA   .   .   .   A   .   103   .   CB    .   .   .   A   .   103   .   CG    .   .   rr_2jzo   1    
     10   .   .   1   1   116   116   LEU   N    N   .   .   1   1   116   116   LEU   CA   C   .   .   1   1   116   116   LEU   CB    C   .   .   1   1   116   116   LEU   CG    C   .   160.0    200.0   .   .   .   A   .   117   LEU   N    .   .   A   .   117   LEU   CA   .   .   A   .   117   LEU   CB    .   .   A   .   117   LEU   CG    .   A   .   117   .   N    .   .   .   A   .   117   .   CA   .   .   .   A   .   117   .   CB    .   .   .   A   .   117   .   CG    .   .   rr_2jzo   1    
     11   .   .   1   1   116   116   LEU   CA   C   .   .   1   1   116   116   LEU   CB   C   .   .   1   1   116   116   LEU   CG    C   .   .   1   1   116   116   LEU   CD1   C   .   40.0     80.0    .   .   .   A   .   117   LEU   CA   .   .   A   .   117   LEU   CB   .   .   A   .   117   LEU   CG    .   .   A   .   117   LEU   CD1   .   A   .   117   .   CA   .   .   .   A   .   117   .   CB   .   .   .   A   .   117   .   CG    .   .   .   A   .   117   .   CD1   .   .   rr_2jzo   1    
     12   .   .   1   1   120   120   THR   N    N   .   .   1   1   120   120   THR   CA   C   .   .   1   1   120   120   THR   CB    C   .   .   1   1   120   120   THR   OG1   O   .   40.0     80.0    .   .   .   A   .   121   THR   N    .   .   A   .   121   THR   CA   .   .   A   .   121   THR   CB    .   .   A   .   121   THR   OG1   .   A   .   121   .   N    .   .   .   A   .   121   .   CA   .   .   .   A   .   121   .   CB    .   .   .   A   .   121   .   OG1   .   .   rr_2jzo   1    
     13   .   .   1   1   128   128   LEU   N    N   .   .   1   1   128   128   LEU   CA   C   .   .   1   1   128   128   LEU   CB    C   .   .   1   1   128   128   LEU   CG    C   .   160.0    200.0   .   .   .   A   .   129   LEU   N    .   .   A   .   129   LEU   CA   .   .   A   .   129   LEU   CB    .   .   A   .   129   LEU   CG    .   A   .   129   .   N    .   .   .   A   .   129   .   CA   .   .   .   A   .   129   .   CB    .   .   .   A   .   129   .   CG    .   .   rr_2jzo   1    
     14   .   .   1   1   128   128   LEU   CA   C   .   .   1   1   128   128   LEU   CB   C   .   .   1   1   128   128   LEU   CG    C   .   .   1   1   128   128   LEU   CD1   C   .   40.0     80.0    .   .   .   A   .   129   LEU   CA   .   .   A   .   129   LEU   CB   .   .   A   .   129   LEU   CG    .   .   A   .   129   LEU   CD1   .   A   .   129   .   CA   .   .   .   A   .   129   .   CB   .   .   .   A   .   129   .   CG    .   .   .   A   .   129   .   CD1   .   .   rr_2jzo   1    
     15   .   .   1   1   67    67    THR   N    N   .   .   1   1   67    67    THR   CA   C   .   .   1   1   67    67    THR   CB    C   .   .   1   1   67    67    THR   OG1   O   .   40.0     80.0    .   .   .   A   .   68    THR   N    .   .   A   .   68    THR   CA   .   .   A   .   68    THR   CB    .   .   A   .   68    THR   OG1   .   A   .   68    .   N    .   .   .   A   .   68    .   CA   .   .   .   A   .   68    .   CB    .   .   .   A   .   68    .   OG1   .   .   rr_2jzo   1    
     16   .   .   1   1   81    81    VAL   N    N   .   .   1   1   81    81    VAL   CA   C   .   .   1   1   81    81    VAL   CB    C   .   .   1   1   81    81    VAL   CG1   C   .   -80.0    -40.0   .   .   .   A   .   82    VAL   N    .   .   A   .   82    VAL   CA   .   .   A   .   82    VAL   CB    .   .   A   .   82    VAL   CG1   .   A   .   82    .   N    .   .   .   A   .   82    .   CA   .   .   .   A   .   82    .   CB    .   .   .   A   .   82    .   CG1   .   .   rr_2jzo   1    
     17   .   .   1   1   68    68    TRP   N    N   .   .   1   1   68    68    TRP   CA   C   .   .   1   1   68    68    TRP   CB    C   .   .   1   1   68    68    TRP   CG    C   .   160.0    200.0   .   .   .   A   .   69    TRP   N    .   .   A   .   69    TRP   CA   .   .   A   .   69    TRP   CB    .   .   A   .   69    TRP   CG    .   A   .   69    .   N    .   .   .   A   .   69    .   CA   .   .   .   A   .   69    .   CB    .   .   .   A   .   69    .   CG    .   .   rr_2jzo   1    
     18   .   .   1   1   68    68    TRP   CA   C   .   .   1   1   68    68    TRP   CB   C   .   .   1   1   68    68    TRP   CG    C   .   .   1   1   68    68    TRP   NE1   N   .   -120.0   -60.0   .   .   .   A   .   69    TRP   CA   .   .   A   .   69    TRP   CB   .   .   A   .   69    TRP   CG    .   .   A   .   69    TRP   NE1   .   A   .   69    .   CA   .   .   .   A   .   69    .   CB   .   .   .   A   .   69    .   CG    .   .   .   A   .   69    .   NE1   .   .   rr_2jzo   1    
     19   .   .   1   1   35    35    PHE   N    N   .   .   1   1   35    35    PHE   CA   C   .   .   1   1   35    35    PHE   CB    C   .   .   1   1   35    35    PHE   CG    C   .   160.0    200.0   .   .   .   A   .   36    PHE   N    .   .   A   .   36    PHE   CA   .   .   A   .   36    PHE   CB    .   .   A   .   36    PHE   CG    .   A   .   36    .   N    .   .   .   A   .   36    .   CA   .   .   .   A   .   36    .   CB    .   .   .   A   .   36    .   CG    .   .   rr_2jzo   1    
     20   .   .   1   1   35    35    PHE   CA   C   .   .   1   1   35    35    PHE   CB   C   .   .   1   1   35    35    PHE   CG    C   .   .   1   1   35    35    PHE   CD1   C   .   70.0     110.0   .   .   .   A   .   36    PHE   CA   .   .   A   .   36    PHE   CB   .   .   A   .   36    PHE   CG    .   .   A   .   36    PHE   CD1   .   A   .   36    .   CA   .   .   .   A   .   36    .   CB   .   .   .   A   .   36    .   CG    .   .   .   A   .   36    .   CD1   .   .   rr_2jzo   1    
     21   .   .   1   1   73    73    PHE   N    N   .   .   1   1   73    73    PHE   CA   C   .   .   1   1   73    73    PHE   CB    C   .   .   1   1   73    73    PHE   CG    C   .   160.0    200.0   .   .   .   A   .   74    PHE   N    .   .   A   .   74    PHE   CA   .   .   A   .   74    PHE   CB    .   .   A   .   74    PHE   CG    .   A   .   74    .   N    .   .   .   A   .   74    .   CA   .   .   .   A   .   74    .   CB    .   .   .   A   .   74    .   CG    .   .   rr_2jzo   1    
     22   .   .   1   1   73    73    PHE   CA   C   .   .   1   1   73    73    PHE   CB   C   .   .   1   1   73    73    PHE   CG    C   .   .   1   1   73    73    PHE   CD1   C   .   60.0     120.0   .   .   .   A   .   74    PHE   CA   .   .   A   .   74    PHE   CB   .   .   A   .   74    PHE   CG    .   .   A   .   74    PHE   CD1   .   A   .   74    .   CA   .   .   .   A   .   74    .   CB   .   .   .   A   .   74    .   CG    .   .   .   A   .   74    .   CD1   .   .   rr_2jzo   1    
     23   .   .   1   1   8     8     THR   N    N   .   .   1   1   8     8     THR   CA   C   .   .   1   1   8     8     THR   CB    C   .   .   1   1   8     8     THR   OG1   O   .   160.0    200.0   .   .   .   A   .   9     THR   N    .   .   A   .   9     THR   CA   .   .   A   .   9     THR   CB    .   .   A   .   9     THR   OG1   .   A   .   9     .   N    .   .   .   A   .   9     .   CA   .   .   .   A   .   9     .   CB    .   .   .   A   .   9     .   OG1   .   .   rr_2jzo   1    
     24   .   .   1   1   9     9     HIS   N    N   .   .   1   1   9     9     HIS   CA   C   .   .   1   1   9     9     HIS   CB    C   .   .   1   1   9     9     HIS   CG    C   .   -90.0    -30.0   .   .   .   A   .   10    HIS   N    .   .   A   .   10    HIS   CA   .   .   A   .   10    HIS   CB    .   .   A   .   10    HIS   CG    .   A   .   10    .   N    .   .   .   A   .   10    .   CA   .   .   .   A   .   10    .   CB    .   .   .   A   .   10    .   CG    .   .   rr_2jzo   1    
     25   .   .   1   1   66    66    ASP   N    N   .   .   1   1   66    66    ASP   CA   C   .   .   1   1   66    66    ASP   CB    C   .   .   1   1   66    66    ASP   CG    C   .   40.0     80.0    .   .   .   A   .   67    ASP   N    .   .   A   .   67    ASP   CA   .   .   A   .   67    ASP   CB    .   .   A   .   67    ASP   CG    .   A   .   67    .   N    .   .   .   A   .   67    .   CA   .   .   .   A   .   67    .   CB    .   .   .   A   .   67    .   CG    .   .   rr_2jzo   1    
     26   .   .   1   1   66    66    ASP   CA   C   .   .   1   1   66    66    ASP   CB   C   .   .   1   1   66    66    ASP   CG    C   .   .   1   1   66    66    ASP   OD1   O   .   -40.0    40.0    .   .   .   A   .   67    ASP   CA   .   .   A   .   67    ASP   CB   .   .   A   .   67    ASP   CG    .   .   A   .   67    ASP   OD1   .   A   .   67    .   CA   .   .   .   A   .   67    .   CB   .   .   .   A   .   67    .   CG    .   .   .   A   .   67    .   OD1   .   .   rr_2jzo   1    
     27   .   .   1   1   11    11    TRP   N    N   .   .   1   1   11    11    TRP   CA   C   .   .   1   1   11    11    TRP   CB    C   .   .   1   1   11    11    TRP   CG    C   .   -80.0    -40.0   .   .   .   A   .   12    TRP   N    .   .   A   .   12    TRP   CA   .   .   A   .   12    TRP   CB    .   .   A   .   12    TRP   CG    .   A   .   12    .   N    .   .   .   A   .   12    .   CA   .   .   .   A   .   12    .   CB    .   .   .   A   .   12    .   CG    .   .   rr_2jzo   1    
     28   .   .   1   1   11    11    TRP   CA   C   .   .   1   1   11    11    TRP   CB   C   .   .   1   1   11    11    TRP   CG    C   .   .   1   1   11    11    TRP   NE1   N   .   -110.0   -70.0   .   .   .   A   .   12    TRP   CA   .   .   A   .   12    TRP   CB   .   .   A   .   12    TRP   CG    .   .   A   .   12    TRP   NE1   .   A   .   12    .   CA   .   .   .   A   .   12    .   CB   .   .   .   A   .   12    .   CG    .   .   .   A   .   12    .   NE1   .   .   rr_2jzo   1    

   stop_

   loop_
      _TA_constraint_comment_org.ID
      _TA_constraint_comment_org.Comment_text
      _TA_constraint_comment_org.Comment_begin_line
      _TA_constraint_comment_org.Comment_begin_column
      _TA_constraint_comment_org.Comment_end_line
      _TA_constraint_comment_org.Comment_end_column
      _TA_constraint_comment_org.Entry_ID
      _TA_constraint_comment_org.Torsion_angle_constraint_list_ID

     1    
;
B Torsion angle restraints
IIBMan non-productive component
V53
;
1     1   5     7    rr_2jzo   1    
     2    'T56 Chi-1'                                                       10    1   10    12   rr_2jzo   1    
     3    'L57 Chi-1'                                                       14    1   14    12   rr_2jzo   1    
     4    'T59 Chi-1'                                                       20    1   20    12   rr_2jzo   1    
     5    V61                                                               24    1   24    5    rr_2jzo   1    
     6    
;
IIAMan
Subunit A
M23 Chi-1
;
                                  32    1   36    12   rr_2jzo   1    
     7    'L24 Chi-1'                                                       40    1   40    12   rr_2jzo   1    
     8    'L24 Chi-2'                                                       43    1   43    12   rr_2jzo   1    
     9    'L25 Chi-1'                                                       47    1   47    12   rr_2jzo   1    
     10   'L25 Chi-2'                                                       50    1   50    12   rr_2jzo   1    
     11   'L95 Chi-1'                                                       54    1   54    12   rr_2jzo   1    
     12   'L95 Chi-2'                                                       57    1   57    12   rr_2jzo   1    
     13   'V99 Chi-1'                                                       61    1   61    12   rr_2jzo   1    
     14   'M103 Chi-1'                                                      65    1   65    13   rr_2jzo   1    
     15   'L117 Chi-1'                                                      71    1   71    13   rr_2jzo   1    
     16   'L117 Chi-2'                                                      74    1   74    13   rr_2jzo   1    
     17   T121                                                              78    1   78    7    rr_2jzo   1    
     18   'L129 Chi-1'                                                      83    1   83    13   rr_2jzo   1    
     19   'L129 Chi-2'                                                      86    1   86    13   rr_2jzo   1    
     20   
;
Subunit B
T68 Chi-1
;
                                         92    1   95    12   rr_2jzo   1    
     21   'V82 Chi-1'                                                       99    1   99    12   rr_2jzo   1    
     22   'W69 Chi-1'                                                       107   1   107   12   rr_2jzo   1    
     23   'F36 Chi-1'                                                       114   1   114   12   rr_2jzo   1    
     24   'F36 Chi-2'                                                       117   1   117   12   rr_2jzo   1    
     25   'F74 Chi-1'                                                       122   1   122   12   rr_2jzo   1    
     26   'F74 Chi-2'                                                       125   1   125   12   rr_2jzo   1    
     27   'T9 Chi-1'                                                        129   1   129   11   rr_2jzo   1    
     28   'H10 Chi-1'                                                       134   1   134   12   rr_2jzo   1    
     29   'M23 Chi-1'                                                       138   1   138   12   rr_2jzo   1    
     30   'L24 Chi-1'                                                       142   1   142   12   rr_2jzo   1    
     31   'L24 Chi-2'                                                       145   1   145   12   rr_2jzo   1    
     32   'L25 Chi-1'                                                       149   1   149   12   rr_2jzo   1    
     33   'L25 Chi-2'                                                       152   1   152   12   rr_2jzo   1    
     34   'L95 Chi-1'                                                       156   1   156   12   rr_2jzo   1    
     35   'L95 Chi-2'                                                       159   1   159   12   rr_2jzo   1    
     36   'V99 Chi-1'                                                       163   1   163   12   rr_2jzo   1    
     37   'M103 Chi-1'                                                      167   1   167   13   rr_2jzo   1    
     38   'L117 Chi-1'                                                      171   1   171   13   rr_2jzo   1    
     39   'L117 Chi-2'                                                      174   1   174   13   rr_2jzo   1    
     40   T121                                                              178   1   178   7    rr_2jzo   1    
     41   'L129 Chi-1'                                                      183   1   183   13   rr_2jzo   1    
     42   'L129 Chi-2'                                                      186   1   186   13   rr_2jzo   1    
     43   'T68 Chi-1'                                                       191   1   191   12   rr_2jzo   1    
     44   'V82 Chi-1'                                                       195   1   195   12   rr_2jzo   1    
     45   'W69 Chi-1'                                                       199   1   199   12   rr_2jzo   1    
     46   'F36 Chi-1'                                                       205   1   205   12   rr_2jzo   1    
     47   'F36 Chi-2'                                                       208   1   208   12   rr_2jzo   1    
     48   'F74 Chi-1'                                                       212   1   212   12   rr_2jzo   1    
     49   'F74 Chi-2'                                                       215   1   215   12   rr_2jzo   1    
     50   'T9 Chi-1'                                                        219   1   219   11   rr_2jzo   1    
     51   'H10 Chi-1'                                                       223   1   223   12   rr_2jzo   1    
     52   D67                                                               227   1   227   5    rr_2jzo   1    
     53   'W12 Chi-1'                                                       240   1   240   12   rr_2jzo   1    
     54   'W12 Chi-1'                                                       246   1   246   12   rr_2jzo   1    

   stop_

   loop_
      _TA_constraint_conv_err.ID
      _TA_constraint_conv_err.Parse_file_ID
      _TA_constraint_conv_err.Parse_file_constraint_ID
      _TA_constraint_conv_err.Conv_error_type
      _TA_constraint_conv_err.Conv_error_note
      _TA_constraint_conv_err.Entry_ID
      _TA_constraint_conv_err.Torsion_angle_constraint_list_ID

     1    3   1    1   "Not handling restraint 1, resonance(s) 'D.253.N' (nmrStar names),'D.253.CA' (nmrStar names),'D.253.CB' (nmrStar names),'D.253.CG1' (nmrStar names) not linked"     rr_2jzo   1    
     2    3   2    1   "Not handling restraint 2, resonance(s) 'D.256.N' (nmrStar names),'D.256.CA' (nmrStar names),'D.256.CB' (nmrStar names),'D.256.OG1' (nmrStar names) not linked"     rr_2jzo   1    
     3    3   3    1   "Not handling restraint 3, resonance(s) 'D.257.N' (nmrStar names),'D.257.CA' (nmrStar names),'D.257.CB' (nmrStar names),'D.257.CG' (nmrStar names) not linked"      rr_2jzo   1    
     4    3   4    1   "Not handling restraint 4, resonance(s) 'D.257.CA' (nmrStar names),'D.257.CB' (nmrStar names),'D.257.CG' (nmrStar names),'D.257.CD1' (nmrStar names) not linked"    rr_2jzo   1    
     5    3   5    1   "Not handling restraint 5, resonance(s) 'D.259.N' (nmrStar names),'D.259.CA' (nmrStar names),'D.259.CB' (nmrStar names),'D.259.OG1' (nmrStar names) not linked"     rr_2jzo   1    
     6    3   6    1   "Not handling restraint 6, resonance(s) 'D.261.N' (nmrStar names),'D.261.CA' (nmrStar names),'D.261.CB' (nmrStar names),'D.261.CG1' (nmrStar names) not linked"     rr_2jzo   1    
     7    3   21   1   "Not handling restraint 21, resonance(s) 'B.68.N' (nmrStar names),'B.68.CA' (nmrStar names),'B.68.CB' (nmrStar names),'B.68.OG1' (nmrStar names) not linked"        rr_2jzo   1    
     8    3   22   1   "Not handling restraint 22, resonance(s) 'B.82.N' (nmrStar names),'B.82.CA' (nmrStar names),'B.82.CB' (nmrStar names),'B.82.CG1' (nmrStar names) not linked"        rr_2jzo   1    
     9    3   23   1   "Not handling restraint 23, resonance(s) 'B.69.N' (nmrStar names),'B.69.CA' (nmrStar names),'B.69.CB' (nmrStar names),'B.69.CG' (nmrStar names) not linked"         rr_2jzo   1    
     10   3   24   1   "Not handling restraint 24, resonance(s) 'B.69.CA' (nmrStar names),'B.69.CB' (nmrStar names),'B.69.CG' (nmrStar names),'B.69.NE1' (nmrStar names) not linked"       rr_2jzo   1    
     11   3   25   1   "Not handling restraint 25, resonance(s) 'B.36.N' (nmrStar names),'B.36.CA' (nmrStar names),'B.36.CB' (nmrStar names),'B.36.CG' (nmrStar names) not linked"         rr_2jzo   1    
     12   3   26   1   "Not handling restraint 26, resonance(s) 'B.36.CA' (nmrStar names),'B.36.CB' (nmrStar names),'B.36.CG' (nmrStar names),'B.36.CD1' (nmrStar names) not linked"       rr_2jzo   1    
     13   3   27   1   "Not handling restraint 27, resonance(s) 'B.74.N' (nmrStar names),'B.74.CA' (nmrStar names),'B.74.CB' (nmrStar names),'B.74.CG' (nmrStar names) not linked"         rr_2jzo   1    
     14   3   28   1   "Not handling restraint 28, resonance(s) 'B.74.CA' (nmrStar names),'B.74.CB' (nmrStar names),'B.74.CG' (nmrStar names),'B.74.CD1' (nmrStar names) not linked"       rr_2jzo   1    
     15   3   29   1   "Not handling restraint 29, resonance(s) 'B.9.N' (nmrStar names),'B.9.CA' (nmrStar names),'B.9.CB' (nmrStar names),'B.9.OG1' (nmrStar names) not linked"            rr_2jzo   1    
     16   3   30   1   "Not handling restraint 30, resonance(s) 'B.10.N' (nmrStar names),'B.10.CA' (nmrStar names),'B.10.CB' (nmrStar names),'B.10.CG' (nmrStar names) not linked"         rr_2jzo   1    
     17   3   31   1   "Not handling restraint 31, resonance(s) 'B.23.N' (nmrStar names),'B.23.CA' (nmrStar names),'B.23.CB' (nmrStar names),'B.23.CG' (nmrStar names) not linked"         rr_2jzo   1    
     18   3   32   1   "Not handling restraint 32, resonance(s) 'B.24.N' (nmrStar names),'B.24.CA' (nmrStar names),'B.24.CB' (nmrStar names),'B.24.CG' (nmrStar names) not linked"         rr_2jzo   1    
     19   3   33   1   "Not handling restraint 33, resonance(s) 'B.24.CA' (nmrStar names),'B.24.CB' (nmrStar names),'B.24.CG' (nmrStar names),'B.24.CD1' (nmrStar names) not linked"       rr_2jzo   1    
     20   3   34   1   "Not handling restraint 34, resonance(s) 'B.25.N' (nmrStar names),'B.25.CA' (nmrStar names),'B.25.CB' (nmrStar names),'B.25.CG' (nmrStar names) not linked"         rr_2jzo   1    
     21   3   35   1   "Not handling restraint 35, resonance(s) 'B.25.CA' (nmrStar names),'B.25.CB' (nmrStar names),'B.25.CG' (nmrStar names),'B.25.CD1' (nmrStar names) not linked"       rr_2jzo   1    
     22   3   36   1   "Not handling restraint 36, resonance(s) 'B.95.N' (nmrStar names),'B.95.CA' (nmrStar names),'B.95.CB' (nmrStar names),'B.95.CG1' (nmrStar names) not linked"        rr_2jzo   1    
     23   3   37   1   "Not handling restraint 37, resonance(s) 'B.95.CA' (nmrStar names),'B.95.CB' (nmrStar names),'B.95.CG1' (nmrStar names),'B.95.CD1' (nmrStar names) not linked"      rr_2jzo   1    
     24   3   38   1   "Not handling restraint 38, resonance(s) 'B.99.N' (nmrStar names),'B.99.CA' (nmrStar names),'B.99.CB' (nmrStar names),'B.99.CG1' (nmrStar names) not linked"        rr_2jzo   1    
     25   3   39   1   "Not handling restraint 39, resonance(s) 'B.103.N' (nmrStar names),'B.103.CA' (nmrStar names),'B.103.CB' (nmrStar names),'B.103.CG' (nmrStar names) not linked"     rr_2jzo   1    
     26   3   40   1   "Not handling restraint 40, resonance(s) 'B.117.N' (nmrStar names),'B.117.CA' (nmrStar names),'B.117.CB' (nmrStar names),'B.117.CG' (nmrStar names) not linked"     rr_2jzo   1    
     27   3   41   1   "Not handling restraint 41, resonance(s) 'B.117.CA' (nmrStar names),'B.117.CB' (nmrStar names),'B.117.CG' (nmrStar names),'B.117.CD1' (nmrStar names) not linked"   rr_2jzo   1    
     28   3   42   1   "Not handling restraint 42, resonance(s) 'B.121.N' (nmrStar names),'B.121.CA' (nmrStar names),'B.121.CB' (nmrStar names),'B.121.OG1' (nmrStar names) not linked"    rr_2jzo   1    
     29   3   43   1   "Not handling restraint 43, resonance(s) 'B.129.N' (nmrStar names),'B.129.CA' (nmrStar names),'B.129.CB' (nmrStar names),'B.129.CG' (nmrStar names) not linked"     rr_2jzo   1    
     30   3   44   1   "Not handling restraint 44, resonance(s) 'B.129.CA' (nmrStar names),'B.129.CB' (nmrStar names),'B.129.CG' (nmrStar names),'B.129.CD1' (nmrStar names) not linked"   rr_2jzo   1    
     31   3   57   1   "Not handling restraint 57, resonance(s) 'B.67.N' (nmrStar names),'B.67.CA' (nmrStar names),'B.67.CB' (nmrStar names),'B.67.CG' (nmrStar names) not linked"         rr_2jzo   1    
     32   3   58   1   "Not handling restraint 58, resonance(s) 'B.67.CA' (nmrStar names),'B.67.CB' (nmrStar names),'B.67.CG' (nmrStar names),'B.67.OD1' (nmrStar names) not linked"       rr_2jzo   1    
     33   3   59   1   "Not handling restraint 59, resonance(s) 'B.12.N' (nmrStar names),'B.12.CA' (nmrStar names),'B.12.CB' (nmrStar names),'B.12.CG' (nmrStar names) not linked"         rr_2jzo   1    
     34   3   60   1   "Not handling restraint 60, resonance(s) 'B.12.CA' (nmrStar names),'B.12.CB' (nmrStar names),'B.12.CG' (nmrStar names),'B.12.NE1' (nmrStar names) not linked"       rr_2jzo   1    

   stop_

save_

save_MR_file_comment_1
   _Org_constr_file_comment.Sf_framecode        MR_file_comment_1
   _Org_constr_file_comment.Sf_category         org_constr_file_comment
   _Org_constr_file_comment.Entry_ID            rr_2jzo
   _Org_constr_file_comment.ID                  1
   _Org_constr_file_comment.Constraint_file_ID  1
   _Org_constr_file_comment.Block_ID            1
   _Org_constr_file_comment.Details             'Generated by Wattos'
   _Org_constr_file_comment.Comment             '*HEADER TRANSFERASE 10-JAN-08 2JZO *TITLE SOLUTION NMR STRUCTURE OF THE NON-PRODUCTIVE COMPLEX *TITLE 2 BETWEEN IIAMANNOSE AND IIBMANNOSE OF THE MANNOSE *TITLE 3 TRANSPORTER OF THE E. COLI PHOSPHOTRANSFERASE SYSTEM *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: PTS SYSTEM MANNOSE-SPECIFIC EIIAB COMPONENT; *COMPND 3 CHAIN: A, B; *COMPND 4 FRAGMENT: PTS EIIB TYPE-4 DOMAIN; *COMPND 5 SYNONYM: EIIAB-MAN, MANNOSE-SPECIFIC PHOSPHOTRANSFERASE *COMPND 6 ENZYME IIB COMPONENT, PTS SYSTEM MANNOSE-SPECIFIC EIIB *COMPND 7 COMPONENT; *COMPND 8 EC: 2.7.1.69; *COMPND 9 ENGINEERED: YES; *COMPND 10 MOL_ID: 2; *COMPND 11 MOLECULE: PTS SYSTEM MANNOSE-SPECIFIC EIIAB COMPONENT; *COMPND 12 CHAIN: D; *COMPND 13 FRAGMENT: PTS EIIA TYPE-4 DOMAIN; *COMPND 14 SYNONYM: EIIAB-MAN, MANNOSE-SPECIFIC PHOSPHOTRANSFERASE *COMPND 15 ENZYME IIA COMPONENT, PTS SYSTEM MANNOSE-SPECIFIC EIIA *COMPND 16 COMPONENT, EIII-MAN; *COMPND 17 EC: 2.7.1.-; *COMPND 18 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; *SOURCE 3 GENE: MANX, GPTB, PTSL; *SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; *SOURCE 5 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; *SOURCE 6 EXPRESSION_SYSTEM_PLASMID: PET32A MODIFIED; *SOURCE 7 MOL_ID: 2; *SOURCE 8 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; *SOURCE 9 GENE: MANX, GPTB, PTSL; *SOURCE 10 EXPRESSION_SYSTEM: ESCHERICHIA COLI; *SOURCE 11 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; *SOURCE 12 EXPRESSION_SYSTEM_PLASMID: PET32A MODIFIED *KEYWDS PHOSPHOTRANSFERASE, SUGAR TRANSPORT, TRANSFERASE, COMPLEX *KEYWDS 2 TRANSFERASE/PHOSPHOCARRIER, CYTOPLASM, MEMBRANE, *KEYWDS 3 PHOSPHOPROTEIN, PHOSPHOTRANSFERASE SYSTEM *EXPDTA NMR, MINIMIZED AVERAGE STRUCTURE *AUTHOR G.CLORE, J.HU, K.HU *REVDAT 1 19-FEB-08 2JZO 0'

save_
