data_wwPDB_remediated_restraints_file_for_PDB_entry_2n28

# This wwPDB archive file contains, for PDB entry 2n28:
#
# - 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_2n28
   _Entry.Title                        'wwPDB remediated NMR restraints for PDB entry 2n28'
   _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 2n28'
   _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   2n28   'Master copy'   rr_2n28    

   stop_

save_

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

save_assembly
   _Assembly.Sf_category           assembly
   _Assembly.Sf_framecode          assembly
   _Assembly.Entry_ID              rr_2n28
   _Assembly.ID                    1
   _Assembly.Name                  2n28
   _Assembly.Number_of_components  1
   _Assembly.Organic_ligands       0
   _Assembly.Metal_ions            0
   _Assembly.Non_standard_bonds    no
   _Assembly.Paramagnetic          no
   _Assembly.Thiol_state           'not present'
   _Assembly.Molecular_mass        9133.6236

   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   'Protein Vpu'   1   $Protein_Vpu   A   .   no   .   .   .   .   .   .   rr_2n28   1    

   stop_

save_

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

save_Protein_Vpu
   _Entity.Sf_category                      entity
   _Entity.Sf_framecode                     Protein_Vpu
   _Entity.Entry_ID                         rr_2n28
   _Entity.ID                               1
   _Entity.Name                             Protein_Vpu
   _Entity.Type                             polymer
   _Entity.Polymer_type                     polypeptide(L)
   _Entity.Polymer_strand_ID                A
   _Entity.Polymer_seq_one_letter_code    
;
MQPIQIAIVALVVAIIIAIV
VWSIVIIEYRKILRQRKIDR
LIDRLIERAEDSGNESEGEI
SALVELGVELGHHAPWDVDD
L
;
   _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               81
   _Entity.Paramagnetic                     no
   _Entity.Thiol_state                      'not present'
   _Entity.Parent_entity_ID                 1
   _Entity.Formula_weight                   9133.6236

   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    .   MET   .   rr_2n28   1    
     2    .   GLN   .   rr_2n28   1    
     3    .   PRO   .   rr_2n28   1    
     4    .   ILE   .   rr_2n28   1    
     5    .   GLN   .   rr_2n28   1    
     6    .   ILE   .   rr_2n28   1    
     7    .   ALA   .   rr_2n28   1    
     8    .   ILE   .   rr_2n28   1    
     9    .   VAL   .   rr_2n28   1    
     10   .   ALA   .   rr_2n28   1    
     11   .   LEU   .   rr_2n28   1    
     12   .   VAL   .   rr_2n28   1    
     13   .   VAL   .   rr_2n28   1    
     14   .   ALA   .   rr_2n28   1    
     15   .   ILE   .   rr_2n28   1    
     16   .   ILE   .   rr_2n28   1    
     17   .   ILE   .   rr_2n28   1    
     18   .   ALA   .   rr_2n28   1    
     19   .   ILE   .   rr_2n28   1    
     20   .   VAL   .   rr_2n28   1    
     21   .   VAL   .   rr_2n28   1    
     22   .   TRP   .   rr_2n28   1    
     23   .   SER   .   rr_2n28   1    
     24   .   ILE   .   rr_2n28   1    
     25   .   VAL   .   rr_2n28   1    
     26   .   ILE   .   rr_2n28   1    
     27   .   ILE   .   rr_2n28   1    
     28   .   GLU   .   rr_2n28   1    
     29   .   TYR   .   rr_2n28   1    
     30   .   ARG   .   rr_2n28   1    
     31   .   LYS   .   rr_2n28   1    
     32   .   ILE   .   rr_2n28   1    
     33   .   LEU   .   rr_2n28   1    
     34   .   ARG   .   rr_2n28   1    
     35   .   GLN   .   rr_2n28   1    
     36   .   ARG   .   rr_2n28   1    
     37   .   LYS   .   rr_2n28   1    
     38   .   ILE   .   rr_2n28   1    
     39   .   ASP   .   rr_2n28   1    
     40   .   ARG   .   rr_2n28   1    
     41   .   LEU   .   rr_2n28   1    
     42   .   ILE   .   rr_2n28   1    
     43   .   ASP   .   rr_2n28   1    
     44   .   ARG   .   rr_2n28   1    
     45   .   LEU   .   rr_2n28   1    
     46   .   ILE   .   rr_2n28   1    
     47   .   GLU   .   rr_2n28   1    
     48   .   ARG   .   rr_2n28   1    
     49   .   ALA   .   rr_2n28   1    
     50   .   GLU   .   rr_2n28   1    
     51   .   ASP   .   rr_2n28   1    
     52   .   SER   .   rr_2n28   1    
     53   .   GLY   .   rr_2n28   1    
     54   .   ASN   .   rr_2n28   1    
     55   .   GLU   .   rr_2n28   1    
     56   .   SER   .   rr_2n28   1    
     57   .   GLU   .   rr_2n28   1    
     58   .   GLY   .   rr_2n28   1    
     59   .   GLU   .   rr_2n28   1    
     60   .   ILE   .   rr_2n28   1    
     61   .   SER   .   rr_2n28   1    
     62   .   ALA   .   rr_2n28   1    
     63   .   LEU   .   rr_2n28   1    
     64   .   VAL   .   rr_2n28   1    
     65   .   GLU   .   rr_2n28   1    
     66   .   LEU   .   rr_2n28   1    
     67   .   GLY   .   rr_2n28   1    
     68   .   VAL   .   rr_2n28   1    
     69   .   GLU   .   rr_2n28   1    
     70   .   LEU   .   rr_2n28   1    
     71   .   GLY   .   rr_2n28   1    
     72   .   HIS   .   rr_2n28   1    
     73   .   HIS   .   rr_2n28   1    
     74   .   ALA   .   rr_2n28   1    
     75   .   PRO   .   rr_2n28   1    
     76   .   TRP   .   rr_2n28   1    
     77   .   ASP   .   rr_2n28   1    
     78   .   VAL   .   rr_2n28   1    
     79   .   ASP   .   rr_2n28   1    
     80   .   ASP   .   rr_2n28   1    
     81   .   LEU   .   rr_2n28   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

     .   MET   1    1    rr_2n28   1    
     .   GLN   2    2    rr_2n28   1    
     .   PRO   3    3    rr_2n28   1    
     .   ILE   4    4    rr_2n28   1    
     .   GLN   5    5    rr_2n28   1    
     .   ILE   6    6    rr_2n28   1    
     .   ALA   7    7    rr_2n28   1    
     .   ILE   8    8    rr_2n28   1    
     .   VAL   9    9    rr_2n28   1    
     .   ALA   10   10   rr_2n28   1    
     .   LEU   11   11   rr_2n28   1    
     .   VAL   12   12   rr_2n28   1    
     .   VAL   13   13   rr_2n28   1    
     .   ALA   14   14   rr_2n28   1    
     .   ILE   15   15   rr_2n28   1    
     .   ILE   16   16   rr_2n28   1    
     .   ILE   17   17   rr_2n28   1    
     .   ALA   18   18   rr_2n28   1    
     .   ILE   19   19   rr_2n28   1    
     .   VAL   20   20   rr_2n28   1    
     .   VAL   21   21   rr_2n28   1    
     .   TRP   22   22   rr_2n28   1    
     .   SER   23   23   rr_2n28   1    
     .   ILE   24   24   rr_2n28   1    
     .   VAL   25   25   rr_2n28   1    
     .   ILE   26   26   rr_2n28   1    
     .   ILE   27   27   rr_2n28   1    
     .   GLU   28   28   rr_2n28   1    
     .   TYR   29   29   rr_2n28   1    
     .   ARG   30   30   rr_2n28   1    
     .   LYS   31   31   rr_2n28   1    
     .   ILE   32   32   rr_2n28   1    
     .   LEU   33   33   rr_2n28   1    
     .   ARG   34   34   rr_2n28   1    
     .   GLN   35   35   rr_2n28   1    
     .   ARG   36   36   rr_2n28   1    
     .   LYS   37   37   rr_2n28   1    
     .   ILE   38   38   rr_2n28   1    
     .   ASP   39   39   rr_2n28   1    
     .   ARG   40   40   rr_2n28   1    
     .   LEU   41   41   rr_2n28   1    
     .   ILE   42   42   rr_2n28   1    
     .   ASP   43   43   rr_2n28   1    
     .   ARG   44   44   rr_2n28   1    
     .   LEU   45   45   rr_2n28   1    
     .   ILE   46   46   rr_2n28   1    
     .   GLU   47   47   rr_2n28   1    
     .   ARG   48   48   rr_2n28   1    
     .   ALA   49   49   rr_2n28   1    
     .   GLU   50   50   rr_2n28   1    
     .   ASP   51   51   rr_2n28   1    
     .   SER   52   52   rr_2n28   1    
     .   GLY   53   53   rr_2n28   1    
     .   ASN   54   54   rr_2n28   1    
     .   GLU   55   55   rr_2n28   1    
     .   SER   56   56   rr_2n28   1    
     .   GLU   57   57   rr_2n28   1    
     .   GLY   58   58   rr_2n28   1    
     .   GLU   59   59   rr_2n28   1    
     .   ILE   60   60   rr_2n28   1    
     .   SER   61   61   rr_2n28   1    
     .   ALA   62   62   rr_2n28   1    
     .   LEU   63   63   rr_2n28   1    
     .   VAL   64   64   rr_2n28   1    
     .   GLU   65   65   rr_2n28   1    
     .   LEU   66   66   rr_2n28   1    
     .   GLY   67   67   rr_2n28   1    
     .   VAL   68   68   rr_2n28   1    
     .   GLU   69   69   rr_2n28   1    
     .   LEU   70   70   rr_2n28   1    
     .   GLY   71   71   rr_2n28   1    
     .   HIS   72   72   rr_2n28   1    
     .   HIS   73   73   rr_2n28   1    
     .   ALA   74   74   rr_2n28   1    
     .   PRO   75   75   rr_2n28   1    
     .   TRP   76   76   rr_2n28   1    
     .   ASP   77   77   rr_2n28   1    
     .   VAL   78   78   rr_2n28   1    
     .   ASP   79   79   rr_2n28   1    
     .   ASP   80   80   rr_2n28   1    
     .   LEU   81   81   rr_2n28   1    

   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_2n28
   _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_2n28
   _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   2n28.mr   .   .   'MR format'   1   comment                  'Not applicable'     'Not applicable'   0    rr_2n28   1    
     1   2n28.mr   .   .   XPLOR/CNS     2   'dihedral angle'         'Not applicable'     'Not applicable'   90   rr_2n28   1    
     1   2n28.mr   .   .   XPLOR/CNS     3   'dipolar coupling'       'Not applicable'     'Not applicable'   57   rr_2n28   1    
     1   2n28.mr   .   .   XPLOR/CNS     4   distance                 'general distance'   simple             16   rr_2n28   1    
     1   2n28.mr   .   .   XPLOR/CNS     5   distance                 PRE                  'Not applicable'   0    rr_2n28   1    
     1   2n28.mr   .   .   'MR format'   6   'nomenclature mapping'   'Not applicable'     'Not applicable'   0    rr_2n28   1    

   stop_

save_

save_CNS/XPLOR_distance_constraints_4
   _Gen_dist_constraint_list.Sf_category         general_distance_constraints
   _Gen_dist_constraint_list.Sf_framecode        CNS/XPLOR_distance_constraints_4
   _Gen_dist_constraint_list.Entry_ID            rr_2n28
   _Gen_dist_constraint_list.ID                  1
   _Gen_dist_constraint_list.Constraint_type     'general distance'
   _Gen_dist_constraint_list.Details             'Generated by Wattos'
   _Gen_dist_constraint_list.Constraint_file_ID  1
   _Gen_dist_constraint_list.Block_ID            4

   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_2n28   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   
;
echo=false
wrnlev=0
;
    1    1   2    16   rr_2n28   1    
     2   
;
CaH(i)-NH(j) long range
A
;
3    1   4    4    rr_2n28   1    
     3   S                            10   1   10   4    rr_2n28   1    
     4   G                            15   1   15   4    rr_2n28   1    
     5   Y                            19   1   19   4    rr_2n28   1    
     6   R                            21   1   21   4    rr_2n28   1    
     7   K                            23   1   23   4    rr_2n28   1    
     8   V                            25   1   25   4    rr_2n28   1    
     9   
;
echo=true
wrnlev=5
;
     27   1   28   16   rr_2n28   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    4   1    1   "Not handling restraint 1, item 1, resonance(s) ' .41.OS1' (nmrStar names) not linked"    rr_2n28   1    
     2    4   2    1   "Not handling restraint 2, item 1, resonance(s) ' .41.OS1' (nmrStar names) not linked"    rr_2n28   1    
     3    4   3    1   "Not handling restraint 3, item 1, resonance(s) ' .41.OS1' (nmrStar names) not linked"    rr_2n28   1    
     4    4   4    1   "Not handling restraint 4, item 1, resonance(s) ' .41.OS1' (nmrStar names) not linked"    rr_2n28   1    
     5    4   5    1   "Not handling restraint 5, item 1, resonance(s) ' .41.OS1' (nmrStar names) not linked"    rr_2n28   1    
     6    4   6    1   "Not handling restraint 6, item 1, resonance(s) ' .41.OS1' (nmrStar names) not linked"    rr_2n28   1    
     7    4   7    1   "Not handling restraint 7, item 1, resonance(s) ' .41.OS1' (nmrStar names) not linked"    rr_2n28   1    
     8    4   8    1   "Not handling restraint 8, item 1, resonance(s) ' .41.OS1' (nmrStar names) not linked"    rr_2n28   1    
     9    4   9    1   "Not handling restraint 9, item 1, resonance(s) ' .41.OS1' (nmrStar names) not linked"    rr_2n28   1    
     10   4   10   1   "Not handling restraint 10, item 1, resonance(s) ' .41.OS1' (nmrStar names) not linked"   rr_2n28   1    
     11   4   10   1   "Not handling restraint 10, item 1, resonance(s) ' .41.OS1' (nmrStar names) not linked"   rr_2n28   1    
     12   4   11   1   "Not handling restraint 11, item 1, resonance(s) ' .41.OS1' (nmrStar names) not linked"   rr_2n28   1    
     13   4   11   1   "Not handling restraint 11, item 1, resonance(s) ' .41.OS1' (nmrStar names) not linked"   rr_2n28   1    
     14   4   12   1   "Not handling restraint 12, item 1, resonance(s) ' .41.OS1' (nmrStar names) not linked"   rr_2n28   1    
     15   4   12   1   "Not handling restraint 12, item 1, resonance(s) ' .41.OS1' (nmrStar names) not linked"   rr_2n28   1    
     16   4   13   1   "Not handling restraint 13, item 1, resonance(s) ' .41.OS1' (nmrStar names) not linked"   rr_2n28   1    
     17   4   14   1   "Not handling restraint 14, item 1, resonance(s) ' .41.OS1' (nmrStar names) not linked"   rr_2n28   1    
     18   4   15   1   "Not handling restraint 15, item 1, resonance(s) ' .41.OS1' (nmrStar names) not linked"   rr_2n28   1    
     19   4   16   1   "Not handling restraint 16, item 1, resonance(s) ' .41.OS1' (nmrStar names) not linked"   rr_2n28   1    

   stop_

save_

save_CNS/XPLOR_distance_constraints_5
   _Gen_dist_constraint_list.Sf_category         general_distance_constraints
   _Gen_dist_constraint_list.Sf_framecode        CNS/XPLOR_distance_constraints_5
   _Gen_dist_constraint_list.Entry_ID            rr_2n28
   _Gen_dist_constraint_list.ID                  2
   _Gen_dist_constraint_list.Constraint_type     PRE
   _Gen_dist_constraint_list.Details             'Generated by Wattos'
   _Gen_dist_constraint_list.Constraint_file_ID  1
   _Gen_dist_constraint_list.Block_ID            5

   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_2n28   2    

   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   
;
R
assign (resid 30 and name HG# ) 1 4.0 4.0
;
41   1   42   52   rr_2n28   2    

   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    'assign (resid 64 and name HG# ) 2.5 2.5 2'   6    1   6    49   rr_2n28   2    
     2    'assign (resid 68 and name HG# ) 3 3 2'       7    1   7    45   rr_2n28   2    
     3    'assign (resid 78 and name HG# ) 3 3 2'       8    1   8    45   rr_2n28   2    
     4    'assign (resid 74 and name HA ) 9 5 5'        10   1   10   45   rr_2n28   2    
     5    'assign (resid 7 and name HA ) -20 15 5'      11   1   11   48   rr_2n28   2    
     6    'assign (resid 56 and name HA ) 1 3 3'        17   1   17   44   rr_2n28   2    
     7    'assign (resid 52 and name HA ) 0 3 3'        18   1   18   44   rr_2n28   2    
     8    'assign (resid 61 and name HA ) 3 2 2'        19   1   19   44   rr_2n28   2    
     9    'assign (resid 81 and name HG ) 2.5 4 4'      36   1   36   47   rr_2n28   2    
     10   'assign (resid 76 and name HB# ) 5.5 5.5 4'   40   1   40   48   rr_2n28   2    

   stop_

save_

save_CNS/XPLOR_dihedral_2
   _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints
   _Torsion_angle_constraint_list.Sf_framecode        CNS/XPLOR_dihedral_2
   _Torsion_angle_constraint_list.Entry_ID            rr_2n28
   _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            2

   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_2n28   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   8    8    ILE   C   C   .   .   1   1   9    9    VAL   N    N   .   .   1   1   9    9    VAL   CA   C   .   .   1   1   9    9    VAL   C   C   .   -74.31    -54.31   .   .   .   A   .   8    ILE   C   .   .   A   .   9    VAL   N    .   .   A   .   9    VAL   CA   .   .   A   .   9    VAL   C   .   .   .   8    .   C   .   .   .   .   .   9    .   N    .   .   .   .   .   9    .   CA   .   .   .   .   .   9    .   C   .   .   rr_2n28   1    
     2    .   .   1   1   9    9    VAL   C   C   .   .   1   1   10   10   ALA   N    N   .   .   1   1   10   10   ALA   CA   C   .   .   1   1   10   10   ALA   C   C   .   -74.34    -54.34   .   .   .   A   .   9    VAL   C   .   .   A   .   10   ALA   N    .   .   A   .   10   ALA   CA   .   .   A   .   10   ALA   C   .   .   .   9    .   C   .   .   .   .   .   10   .   N    .   .   .   .   .   10   .   CA   .   .   .   .   .   10   .   C   .   .   rr_2n28   1    
     3    .   .   1   1   10   10   ALA   C   C   .   .   1   1   11   11   LEU   N    N   .   .   1   1   11   11   LEU   CA   C   .   .   1   1   11   11   LEU   C   C   .   -71.46    -51.46   .   .   .   A   .   10   ALA   C   .   .   A   .   11   LEU   N    .   .   A   .   11   LEU   CA   .   .   A   .   11   LEU   C   .   .   .   10   .   C   .   .   .   .   .   11   .   N    .   .   .   .   .   11   .   CA   .   .   .   .   .   11   .   C   .   .   rr_2n28   1    
     4    .   .   1   1   11   11   LEU   C   C   .   .   1   1   12   12   VAL   N    N   .   .   1   1   12   12   VAL   CA   C   .   .   1   1   12   12   VAL   C   C   .   -74.26    -54.26   .   .   .   A   .   11   LEU   C   .   .   A   .   12   VAL   N    .   .   A   .   12   VAL   CA   .   .   A   .   12   VAL   C   .   .   .   11   .   C   .   .   .   .   .   12   .   N    .   .   .   .   .   12   .   CA   .   .   .   .   .   12   .   C   .   .   rr_2n28   1    
     5    .   .   1   1   12   12   VAL   C   C   .   .   1   1   13   13   VAL   N    N   .   .   1   1   13   13   VAL   CA   C   .   .   1   1   13   13   VAL   C   C   .   -73.08    -53.08   .   .   .   A   .   12   VAL   C   .   .   A   .   13   VAL   N    .   .   A   .   13   VAL   CA   .   .   A   .   13   VAL   C   .   .   .   12   .   C   .   .   .   .   .   13   .   N    .   .   .   .   .   13   .   CA   .   .   .   .   .   13   .   C   .   .   rr_2n28   1    
     6    .   .   1   1   13   13   VAL   C   C   .   .   1   1   14   14   ALA   N    N   .   .   1   1   14   14   ALA   CA   C   .   .   1   1   14   14   ALA   C   C   .   -70.90    -50.90   .   .   .   A   .   13   VAL   C   .   .   A   .   14   ALA   N    .   .   A   .   14   ALA   CA   .   .   A   .   14   ALA   C   .   .   .   13   .   C   .   .   .   .   .   14   .   N    .   .   .   .   .   14   .   CA   .   .   .   .   .   14   .   C   .   .   rr_2n28   1    
     7    .   .   1   1   14   14   ALA   C   C   .   .   1   1   15   15   ILE   N    N   .   .   1   1   15   15   ILE   CA   C   .   .   1   1   15   15   ILE   C   C   .   -74.38    -54.38   .   .   .   A   .   14   ALA   C   .   .   A   .   15   ILE   N    .   .   A   .   15   ILE   CA   .   .   A   .   15   ILE   C   .   .   .   14   .   C   .   .   .   .   .   15   .   N    .   .   .   .   .   15   .   CA   .   .   .   .   .   15   .   C   .   .   rr_2n28   1    
     8    .   .   1   1   15   15   ILE   C   C   .   .   1   1   16   16   ILE   N    N   .   .   1   1   16   16   ILE   CA   C   .   .   1   1   16   16   ILE   C   C   .   -71.36    -51.36   .   .   .   A   .   15   ILE   C   .   .   A   .   16   ILE   N    .   .   A   .   16   ILE   CA   .   .   A   .   16   ILE   C   .   .   .   15   .   C   .   .   .   .   .   16   .   N    .   .   .   .   .   16   .   CA   .   .   .   .   .   16   .   C   .   .   rr_2n28   1    
     9    .   .   1   1   16   16   ILE   C   C   .   .   1   1   17   17   ILE   N    N   .   .   1   1   17   17   ILE   CA   C   .   .   1   1   17   17   ILE   C   C   .   -74.31    -54.31   .   .   .   A   .   16   ILE   C   .   .   A   .   17   ILE   N    .   .   A   .   17   ILE   CA   .   .   A   .   17   ILE   C   .   .   .   16   .   C   .   .   .   .   .   17   .   N    .   .   .   .   .   17   .   CA   .   .   .   .   .   17   .   C   .   .   rr_2n28   1    
     10   .   .   1   1   17   17   ILE   C   C   .   .   1   1   18   18   ALA   N    N   .   .   1   1   18   18   ALA   CA   C   .   .   1   1   18   18   ALA   C   C   .   -77.18    -57.18   .   .   .   A   .   17   ILE   C   .   .   A   .   18   ALA   N    .   .   A   .   18   ALA   CA   .   .   A   .   18   ALA   C   .   .   .   17   .   C   .   .   .   .   .   18   .   N    .   .   .   .   .   18   .   CA   .   .   .   .   .   18   .   C   .   .   rr_2n28   1    
     11   .   .   1   1   18   18   ALA   C   C   .   .   1   1   19   19   ILE   N    N   .   .   1   1   19   19   ILE   CA   C   .   .   1   1   19   19   ILE   C   C   .   -78.00    -58.00   .   .   .   A   .   18   ALA   C   .   .   A   .   19   ILE   N    .   .   A   .   19   ILE   CA   .   .   A   .   19   ILE   C   .   .   .   18   .   C   .   .   .   .   .   19   .   N    .   .   .   .   .   19   .   CA   .   .   .   .   .   19   .   C   .   .   rr_2n28   1    
     12   .   .   1   1   19   19   ILE   C   C   .   .   1   1   20   20   VAL   N    N   .   .   1   1   20   20   VAL   CA   C   .   .   1   1   20   20   VAL   C   C   .   -71.92    -51.92   .   .   .   A   .   19   ILE   C   .   .   A   .   20   VAL   N    .   .   A   .   20   VAL   CA   .   .   A   .   20   VAL   C   .   .   .   19   .   C   .   .   .   .   .   20   .   N    .   .   .   .   .   20   .   CA   .   .   .   .   .   20   .   C   .   .   rr_2n28   1    
     13   .   .   1   1   20   20   VAL   C   C   .   .   1   1   21   21   VAL   N    N   .   .   1   1   21   21   VAL   CA   C   .   .   1   1   21   21   VAL   C   C   .   -80.72    -60.72   .   .   .   A   .   20   VAL   C   .   .   A   .   21   VAL   N    .   .   A   .   21   VAL   CA   .   .   A   .   21   VAL   C   .   .   .   20   .   C   .   .   .   .   .   21   .   N    .   .   .   .   .   21   .   CA   .   .   .   .   .   21   .   C   .   .   rr_2n28   1    
     14   .   .   1   1   21   21   VAL   C   C   .   .   1   1   22   22   TRP   N    N   .   .   1   1   22   22   TRP   CA   C   .   .   1   1   22   22   TRP   C   C   .   -101.70   -81.70   .   .   .   A   .   21   VAL   C   .   .   A   .   22   TRP   N    .   .   A   .   22   TRP   CA   .   .   A   .   22   TRP   C   .   .   .   21   .   C   .   .   .   .   .   22   .   N    .   .   .   .   .   22   .   CA   .   .   .   .   .   22   .   C   .   .   rr_2n28   1    
     15   .   .   1   1   22   22   TRP   C   C   .   .   1   1   23   23   SER   N    N   .   .   1   1   23   23   SER   CA   C   .   .   1   1   23   23   SER   C   C   .   -86.90    -46.90   .   .   .   A   .   22   TRP   C   .   .   A   .   23   SER   N    .   .   A   .   23   SER   CA   .   .   A   .   23   SER   C   .   .   .   22   .   C   .   .   .   .   .   23   .   N    .   .   .   .   .   23   .   CA   .   .   .   .   .   23   .   C   .   .   rr_2n28   1    
     16   .   .   1   1   23   23   SER   C   C   .   .   1   1   24   24   ILE   N    N   .   .   1   1   24   24   ILE   CA   C   .   .   1   1   24   24   ILE   C   C   .   -82.26    -42.26   .   .   .   A   .   23   SER   C   .   .   A   .   24   ILE   N    .   .   A   .   24   ILE   CA   .   .   A   .   24   ILE   C   .   .   .   23   .   C   .   .   .   .   .   24   .   N    .   .   .   .   .   24   .   CA   .   .   .   .   .   24   .   C   .   .   rr_2n28   1    
     17   .   .   1   1   24   24   ILE   C   C   .   .   1   1   25   25   VAL   N    N   .   .   1   1   25   25   VAL   CA   C   .   .   1   1   25   25   VAL   C   C   .   -87.00    -47.00   .   .   .   A   .   24   ILE   C   .   .   A   .   25   VAL   N    .   .   A   .   25   VAL   CA   .   .   A   .   25   VAL   C   .   .   .   24   .   C   .   .   .   .   .   25   .   N    .   .   .   .   .   25   .   CA   .   .   .   .   .   25   .   C   .   .   rr_2n28   1    
     18   .   .   1   1   25   25   VAL   C   C   .   .   1   1   26   26   ILE   N    N   .   .   1   1   26   26   ILE   CA   C   .   .   1   1   26   26   ILE   C   C   .   -81.55    -41.55   .   .   .   A   .   25   VAL   C   .   .   A   .   26   ILE   N    .   .   A   .   26   ILE   CA   .   .   A   .   26   ILE   C   .   .   .   25   .   C   .   .   .   .   .   26   .   N    .   .   .   .   .   26   .   CA   .   .   .   .   .   26   .   C   .   .   rr_2n28   1    
     19   .   .   1   1   26   26   ILE   C   C   .   .   1   1   27   27   ILE   N    N   .   .   1   1   27   27   ILE   CA   C   .   .   1   1   27   27   ILE   C   C   .   -85.19    -45.19   .   .   .   A   .   26   ILE   C   .   .   A   .   27   ILE   N    .   .   A   .   27   ILE   CA   .   .   A   .   27   ILE   C   .   .   .   26   .   C   .   .   .   .   .   27   .   N    .   .   .   .   .   27   .   CA   .   .   .   .   .   27   .   C   .   .   rr_2n28   1    
     20   .   .   1   1   34   34   ARG   C   C   .   .   1   1   35   35   GLN   N    N   .   .   1   1   35   35   GLN   CA   C   .   .   1   1   35   35   GLN   C   C   .   -71.18    -51.18   .   .   .   A   .   34   ARG   C   .   .   A   .   35   GLN   N    .   .   A   .   35   GLN   CA   .   .   A   .   35   GLN   C   .   .   .   34   .   C   .   .   .   .   .   35   .   N    .   .   .   .   .   35   .   CA   .   .   .   .   .   35   .   C   .   .   rr_2n28   1    
     21   .   .   1   1   35   35   GLN   C   C   .   .   1   1   36   36   ARG   N    N   .   .   1   1   36   36   ARG   CA   C   .   .   1   1   36   36   ARG   C   C   .   -72.25    -52.25   .   .   .   A   .   35   GLN   C   .   .   A   .   36   ARG   N    .   .   A   .   36   ARG   CA   .   .   A   .   36   ARG   C   .   .   .   35   .   C   .   .   .   .   .   36   .   N    .   .   .   .   .   36   .   CA   .   .   .   .   .   36   .   C   .   .   rr_2n28   1    
     22   .   .   1   1   36   36   ARG   C   C   .   .   1   1   37   37   LYS   N    N   .   .   1   1   37   37   LYS   CA   C   .   .   1   1   37   37   LYS   C   C   .   -72.90    -52.90   .   .   .   A   .   36   ARG   C   .   .   A   .   37   LYS   N    .   .   A   .   37   LYS   CA   .   .   A   .   37   LYS   C   .   .   .   36   .   C   .   .   .   .   .   37   .   N    .   .   .   .   .   37   .   CA   .   .   .   .   .   37   .   C   .   .   rr_2n28   1    
     23   .   .   1   1   37   37   LYS   C   C   .   .   1   1   38   38   ILE   N    N   .   .   1   1   38   38   ILE   CA   C   .   .   1   1   38   38   ILE   C   C   .   -72.23    -52.23   .   .   .   A   .   37   LYS   C   .   .   A   .   38   ILE   N    .   .   A   .   38   ILE   CA   .   .   A   .   38   ILE   C   .   .   .   37   .   C   .   .   .   .   .   38   .   N    .   .   .   .   .   38   .   CA   .   .   .   .   .   38   .   C   .   .   rr_2n28   1    
     24   .   .   1   1   38   38   ILE   C   C   .   .   1   1   39   39   ASP   N    N   .   .   1   1   39   39   ASP   CA   C   .   .   1   1   39   39   ASP   C   C   .   -82.39    -62.39   .   .   .   A   .   38   ILE   C   .   .   A   .   39   ASP   N    .   .   A   .   39   ASP   CA   .   .   A   .   39   ASP   C   .   .   .   38   .   C   .   .   .   .   .   39   .   N    .   .   .   .   .   39   .   CA   .   .   .   .   .   39   .   C   .   .   rr_2n28   1    
     25   .   .   1   1   39   39   ASP   C   C   .   .   1   1   40   40   ARG   N    N   .   .   1   1   40   40   ARG   CA   C   .   .   1   1   40   40   ARG   C   C   .   -104.45   -84.45   .   .   .   A   .   39   ASP   C   .   .   A   .   40   ARG   N    .   .   A   .   40   ARG   CA   .   .   A   .   40   ARG   C   .   .   .   39   .   C   .   .   .   .   .   40   .   N    .   .   .   .   .   40   .   CA   .   .   .   .   .   40   .   C   .   .   rr_2n28   1    
     26   .   .   1   1   40   40   ARG   C   C   .   .   1   1   41   41   LEU   N    N   .   .   1   1   41   41   LEU   CA   C   .   .   1   1   41   41   LEU   C   C   .   -74.01    -54.01   .   .   .   A   .   40   ARG   C   .   .   A   .   41   LEU   N    .   .   A   .   41   LEU   CA   .   .   A   .   41   LEU   C   .   .   .   40   .   C   .   .   .   .   .   41   .   N    .   .   .   .   .   41   .   CA   .   .   .   .   .   41   .   C   .   .   rr_2n28   1    
     27   .   .   1   1   41   41   LEU   C   C   .   .   1   1   42   42   ILE   N    N   .   .   1   1   42   42   ILE   CA   C   .   .   1   1   42   42   ILE   C   C   .   -73.77    -53.77   .   .   .   A   .   41   LEU   C   .   .   A   .   42   ILE   N    .   .   A   .   42   ILE   CA   .   .   A   .   42   ILE   C   .   .   .   41   .   C   .   .   .   .   .   42   .   N    .   .   .   .   .   42   .   CA   .   .   .   .   .   42   .   C   .   .   rr_2n28   1    
     28   .   .   1   1   42   42   ILE   C   C   .   .   1   1   43   43   ASP   N    N   .   .   1   1   43   43   ASP   CA   C   .   .   1   1   43   43   ASP   C   C   .   -77.78    -57.78   .   .   .   A   .   42   ILE   C   .   .   A   .   43   ASP   N    .   .   A   .   43   ASP   CA   .   .   A   .   43   ASP   C   .   .   .   42   .   C   .   .   .   .   .   43   .   N    .   .   .   .   .   43   .   CA   .   .   .   .   .   43   .   C   .   .   rr_2n28   1    
     29   .   .   1   1   43   43   ASP   C   C   .   .   1   1   44   44   ARG   N    N   .   .   1   1   44   44   ARG   CA   C   .   .   1   1   44   44   ARG   C   C   .   -83.13    -63.13   .   .   .   A   .   43   ASP   C   .   .   A   .   44   ARG   N    .   .   A   .   44   ARG   CA   .   .   A   .   44   ARG   C   .   .   .   43   .   C   .   .   .   .   .   44   .   N    .   .   .   .   .   44   .   CA   .   .   .   .   .   44   .   C   .   .   rr_2n28   1    
     30   .   .   1   1   44   44   ARG   C   C   .   .   1   1   45   45   LEU   N    N   .   .   1   1   45   45   LEU   CA   C   .   .   1   1   45   45   LEU   C   C   .   -71.63    -51.63   .   .   .   A   .   44   ARG   C   .   .   A   .   45   LEU   N    .   .   A   .   45   LEU   CA   .   .   A   .   45   LEU   C   .   .   .   44   .   C   .   .   .   .   .   45   .   N    .   .   .   .   .   45   .   CA   .   .   .   .   .   45   .   C   .   .   rr_2n28   1    
     31   .   .   1   1   45   45   LEU   C   C   .   .   1   1   46   46   ILE   N    N   .   .   1   1   46   46   ILE   CA   C   .   .   1   1   46   46   ILE   C   C   .   -82.91    -42.91   .   .   .   A   .   45   LEU   C   .   .   A   .   46   ILE   N    .   .   A   .   46   ILE   CA   .   .   A   .   46   ILE   C   .   .   .   45   .   C   .   .   .   .   .   46   .   N    .   .   .   .   .   46   .   CA   .   .   .   .   .   46   .   C   .   .   rr_2n28   1    
     32   .   .   1   1   46   46   ILE   C   C   .   .   1   1   47   47   GLU   N    N   .   .   1   1   47   47   GLU   CA   C   .   .   1   1   47   47   GLU   C   C   .   -83.17    -43.17   .   .   .   A   .   46   ILE   C   .   .   A   .   47   GLU   N    .   .   A   .   47   GLU   CA   .   .   A   .   47   GLU   C   .   .   .   46   .   C   .   .   .   .   .   47   .   N    .   .   .   .   .   47   .   CA   .   .   .   .   .   47   .   C   .   .   rr_2n28   1    
     33   .   .   1   1   47   47   GLU   C   C   .   .   1   1   48   48   ARG   N    N   .   .   1   1   48   48   ARG   CA   C   .   .   1   1   48   48   ARG   C   C   .   -106.97   -66.97   .   .   .   A   .   47   GLU   C   .   .   A   .   48   ARG   N    .   .   A   .   48   ARG   CA   .   .   A   .   48   ARG   C   .   .   .   47   .   C   .   .   .   .   .   48   .   N    .   .   .   .   .   48   .   CA   .   .   .   .   .   48   .   C   .   .   rr_2n28   1    
     34   .   .   1   1   58   58   GLY   C   C   .   .   1   1   59   59   GLU   N    N   .   .   1   1   59   59   GLU   CA   C   .   .   1   1   59   59   GLU   C   C   .   -83.46    -43.46   .   .   .   A   .   58   GLY   C   .   .   A   .   59   GLU   N    .   .   A   .   59   GLU   CA   .   .   A   .   59   GLU   C   .   .   .   58   .   C   .   .   .   .   .   59   .   N    .   .   .   .   .   59   .   CA   .   .   .   .   .   59   .   C   .   .   rr_2n28   1    
     35   .   .   1   1   59   59   GLU   C   C   .   .   1   1   60   60   ILE   N    N   .   .   1   1   60   60   ILE   CA   C   .   .   1   1   60   60   ILE   C   C   .   -78.42    -58.42   .   .   .   A   .   59   GLU   C   .   .   A   .   60   ILE   N    .   .   A   .   60   ILE   CA   .   .   A   .   60   ILE   C   .   .   .   59   .   C   .   .   .   .   .   60   .   N    .   .   .   .   .   60   .   CA   .   .   .   .   .   60   .   C   .   .   rr_2n28   1    
     36   .   .   1   1   60   60   ILE   C   C   .   .   1   1   61   61   SER   N    N   .   .   1   1   61   61   SER   CA   C   .   .   1   1   61   61   SER   C   C   .   -85.00    -65.00   .   .   .   A   .   60   ILE   C   .   .   A   .   61   SER   N    .   .   A   .   61   SER   CA   .   .   A   .   61   SER   C   .   .   .   60   .   C   .   .   .   .   .   61   .   N    .   .   .   .   .   61   .   CA   .   .   .   .   .   61   .   C   .   .   rr_2n28   1    
     37   .   .   1   1   61   61   SER   C   C   .   .   1   1   62   62   ALA   N    N   .   .   1   1   62   62   ALA   CA   C   .   .   1   1   62   62   ALA   C   C   .   -86.73    -66.73   .   .   .   A   .   61   SER   C   .   .   A   .   62   ALA   N    .   .   A   .   62   ALA   CA   .   .   A   .   62   ALA   C   .   .   .   61   .   C   .   .   .   .   .   62   .   N    .   .   .   .   .   62   .   CA   .   .   .   .   .   62   .   C   .   .   rr_2n28   1    
     38   .   .   1   1   62   62   ALA   C   C   .   .   1   1   63   63   LEU   N    N   .   .   1   1   63   63   LEU   CA   C   .   .   1   1   63   63   LEU   C   C   .   -87.75    -67.75   .   .   .   A   .   62   ALA   C   .   .   A   .   63   LEU   N    .   .   A   .   63   LEU   CA   .   .   A   .   63   LEU   C   .   .   .   62   .   C   .   .   .   .   .   63   .   N    .   .   .   .   .   63   .   CA   .   .   .   .   .   63   .   C   .   .   rr_2n28   1    
     39   .   .   1   1   63   63   LEU   C   C   .   .   1   1   64   64   VAL   N    N   .   .   1   1   64   64   VAL   CA   C   .   .   1   1   64   64   VAL   C   C   .   -70.23    -50.23   .   .   .   A   .   63   LEU   C   .   .   A   .   64   VAL   N    .   .   A   .   64   VAL   CA   .   .   A   .   64   VAL   C   .   .   .   63   .   C   .   .   .   .   .   64   .   N    .   .   .   .   .   64   .   CA   .   .   .   .   .   64   .   C   .   .   rr_2n28   1    
     40   .   .   1   1   64   64   VAL   C   C   .   .   1   1   65   65   GLU   N    N   .   .   1   1   65   65   GLU   CA   C   .   .   1   1   65   65   GLU   C   C   .   -81.87    -61.87   .   .   .   A   .   64   VAL   C   .   .   A   .   65   GLU   N    .   .   A   .   65   GLU   CA   .   .   A   .   65   GLU   C   .   .   .   64   .   C   .   .   .   .   .   65   .   N    .   .   .   .   .   65   .   CA   .   .   .   .   .   65   .   C   .   .   rr_2n28   1    
     41   .   .   1   1   65   65   GLU   C   C   .   .   1   1   66   66   LEU   N    N   .   .   1   1   66   66   LEU   CA   C   .   .   1   1   66   66   LEU   C   C   .   -77.21    -57.21   .   .   .   A   .   65   GLU   C   .   .   A   .   66   LEU   N    .   .   A   .   66   LEU   CA   .   .   A   .   66   LEU   C   .   .   .   65   .   C   .   .   .   .   .   66   .   N    .   .   .   .   .   66   .   CA   .   .   .   .   .   66   .   C   .   .   rr_2n28   1    
     42   .   .   1   1   66   66   LEU   C   C   .   .   1   1   67   67   GLY   N    N   .   .   1   1   67   67   GLY   CA   C   .   .   1   1   67   67   GLY   C   C   .   -97.22    -77.22   .   .   .   A   .   66   LEU   C   .   .   A   .   67   GLY   N    .   .   A   .   67   GLY   CA   .   .   A   .   67   GLY   C   .   .   .   66   .   C   .   .   .   .   .   67   .   N    .   .   .   .   .   67   .   CA   .   .   .   .   .   67   .   C   .   .   rr_2n28   1    
     43   .   .   1   1   67   67   GLY   C   C   .   .   1   1   68   68   VAL   N    N   .   .   1   1   68   68   VAL   CA   C   .   .   1   1   68   68   VAL   C   C   .   -90.00    -70.00   .   .   .   A   .   67   GLY   C   .   .   A   .   68   VAL   N    .   .   A   .   68   VAL   CA   .   .   A   .   68   VAL   C   .   .   .   67   .   C   .   .   .   .   .   68   .   N    .   .   .   .   .   68   .   CA   .   .   .   .   .   68   .   C   .   .   rr_2n28   1    
     44   .   .   1   1   68   68   VAL   C   C   .   .   1   1   69   69   GLU   N    N   .   .   1   1   69   69   GLU   CA   C   .   .   1   1   69   69   GLU   C   C   .   -80.20    -60.20   .   .   .   A   .   68   VAL   C   .   .   A   .   69   GLU   N    .   .   A   .   69   GLU   CA   .   .   A   .   69   GLU   C   .   .   .   68   .   C   .   .   .   .   .   69   .   N    .   .   .   .   .   69   .   CA   .   .   .   .   .   69   .   C   .   .   rr_2n28   1    
     45   .   .   1   1   69   69   GLU   C   C   .   .   1   1   70   70   LEU   N    N   .   .   1   1   70   70   LEU   CA   C   .   .   1   1   70   70   LEU   C   C   .   -75.67    -55.67   .   .   .   A   .   69   GLU   C   .   .   A   .   70   LEU   N    .   .   A   .   70   LEU   CA   .   .   A   .   70   LEU   C   .   .   .   69   .   C   .   .   .   .   .   70   .   N    .   .   .   .   .   70   .   CA   .   .   .   .   .   70   .   C   .   .   rr_2n28   1    
     46   .   .   1   1   9    9    VAL   N   N   .   .   1   1   9    9    VAL   CA   C   .   .   1   1   9    9    VAL   C    C   .   .   1   1   10   10   ALA   N   N   .   -53.25    -33.25   .   .   .   A   .   9    VAL   N   .   .   A   .   9    VAL   CA   .   .   A   .   9    VAL   C    .   .   A   .   10   ALA   N   .   .   .   9    .   N   .   .   .   .   .   9    .   CA   .   .   .   .   .   9    .   C    .   .   .   .   .   10   .   N   .   .   rr_2n28   1    
     47   .   .   1   1   10   10   ALA   N   N   .   .   1   1   10   10   ALA   CA   C   .   .   1   1   10   10   ALA   C    C   .   .   1   1   11   11   LEU   N   N   .   -42.75    -22.75   .   .   .   A   .   10   ALA   N   .   .   A   .   10   ALA   CA   .   .   A   .   10   ALA   C    .   .   A   .   11   LEU   N   .   .   .   10   .   N   .   .   .   .   .   10   .   CA   .   .   .   .   .   10   .   C    .   .   .   .   .   11   .   N   .   .   rr_2n28   1    
     48   .   .   1   1   11   11   LEU   N   N   .   .   1   1   11   11   LEU   CA   C   .   .   1   1   11   11   LEU   C    C   .   .   1   1   12   12   VAL   N   N   .   -51.01    -31.01   .   .   .   A   .   11   LEU   N   .   .   A   .   11   LEU   CA   .   .   A   .   11   LEU   C    .   .   A   .   12   VAL   N   .   .   .   11   .   N   .   .   .   .   .   11   .   CA   .   .   .   .   .   11   .   C    .   .   .   .   .   12   .   N   .   .   rr_2n28   1    
     49   .   .   1   1   12   12   VAL   N   N   .   .   1   1   12   12   VAL   CA   C   .   .   1   1   12   12   VAL   C    C   .   .   1   1   13   13   VAL   N   N   .   -53.37    -33.37   .   .   .   A   .   12   VAL   N   .   .   A   .   12   VAL   CA   .   .   A   .   12   VAL   C    .   .   A   .   13   VAL   N   .   .   .   12   .   N   .   .   .   .   .   12   .   CA   .   .   .   .   .   12   .   C    .   .   .   .   .   13   .   N   .   .   rr_2n28   1    
     50   .   .   1   1   13   13   VAL   N   N   .   .   1   1   13   13   VAL   CA   C   .   .   1   1   13   13   VAL   C    C   .   .   1   1   14   14   ALA   N   N   .   -54.12    -34.12   .   .   .   A   .   13   VAL   N   .   .   A   .   13   VAL   CA   .   .   A   .   13   VAL   C    .   .   A   .   14   ALA   N   .   .   .   13   .   N   .   .   .   .   .   13   .   CA   .   .   .   .   .   13   .   C    .   .   .   .   .   14   .   N   .   .   rr_2n28   1    
     51   .   .   1   1   14   14   ALA   N   N   .   .   1   1   14   14   ALA   CA   C   .   .   1   1   14   14   ALA   C    C   .   .   1   1   15   15   ILE   N   N   .   -53.31    -33.31   .   .   .   A   .   14   ALA   N   .   .   A   .   14   ALA   CA   .   .   A   .   14   ALA   C    .   .   A   .   15   ILE   N   .   .   .   14   .   N   .   .   .   .   .   14   .   CA   .   .   .   .   .   14   .   C    .   .   .   .   .   15   .   N   .   .   rr_2n28   1    
     52   .   .   1   1   15   15   ILE   N   N   .   .   1   1   15   15   ILE   CA   C   .   .   1   1   15   15   ILE   C    C   .   .   1   1   16   16   ILE   N   N   .   -52.08    -32.08   .   .   .   A   .   15   ILE   N   .   .   A   .   15   ILE   CA   .   .   A   .   15   ILE   C    .   .   A   .   16   ILE   N   .   .   .   15   .   N   .   .   .   .   .   15   .   CA   .   .   .   .   .   15   .   C    .   .   .   .   .   16   .   N   .   .   rr_2n28   1    
     53   .   .   1   1   16   16   ILE   N   N   .   .   1   1   16   16   ILE   CA   C   .   .   1   1   16   16   ILE   C    C   .   .   1   1   17   17   ILE   N   N   .   -51.10    -31.10   .   .   .   A   .   16   ILE   N   .   .   A   .   16   ILE   CA   .   .   A   .   16   ILE   C    .   .   A   .   17   ILE   N   .   .   .   16   .   N   .   .   .   .   .   16   .   CA   .   .   .   .   .   16   .   C    .   .   .   .   .   17   .   N   .   .   rr_2n28   1    
     54   .   .   1   1   17   17   ILE   N   N   .   .   1   1   17   17   ILE   CA   C   .   .   1   1   17   17   ILE   C    C   .   .   1   1   18   18   ALA   N   N   .   -50.34    -30.34   .   .   .   A   .   17   ILE   N   .   .   A   .   17   ILE   CA   .   .   A   .   17   ILE   C    .   .   A   .   18   ALA   N   .   .   .   17   .   N   .   .   .   .   .   17   .   CA   .   .   .   .   .   17   .   C    .   .   .   .   .   18   .   N   .   .   rr_2n28   1    
     55   .   .   1   1   18   18   ALA   N   N   .   .   1   1   18   18   ALA   CA   C   .   .   1   1   18   18   ALA   C    C   .   .   1   1   19   19   ILE   N   N   .   -50.67    -30.67   .   .   .   A   .   18   ALA   N   .   .   A   .   18   ALA   CA   .   .   A   .   18   ALA   C    .   .   A   .   19   ILE   N   .   .   .   18   .   N   .   .   .   .   .   18   .   CA   .   .   .   .   .   18   .   C    .   .   .   .   .   19   .   N   .   .   rr_2n28   1    
     56   .   .   1   1   19   19   ILE   N   N   .   .   1   1   19   19   ILE   CA   C   .   .   1   1   19   19   ILE   C    C   .   .   1   1   20   20   VAL   N   N   .   -51.12    -31.12   .   .   .   A   .   19   ILE   N   .   .   A   .   19   ILE   CA   .   .   A   .   19   ILE   C    .   .   A   .   20   VAL   N   .   .   .   19   .   N   .   .   .   .   .   19   .   CA   .   .   .   .   .   19   .   C    .   .   .   .   .   20   .   N   .   .   rr_2n28   1    
     57   .   .   1   1   20   20   VAL   N   N   .   .   1   1   20   20   VAL   CA   C   .   .   1   1   20   20   VAL   C    C   .   .   1   1   21   21   VAL   N   N   .   -55.09    -35.09   .   .   .   A   .   20   VAL   N   .   .   A   .   20   VAL   CA   .   .   A   .   20   VAL   C    .   .   A   .   21   VAL   N   .   .   .   20   .   N   .   .   .   .   .   20   .   CA   .   .   .   .   .   20   .   C    .   .   .   .   .   21   .   N   .   .   rr_2n28   1    
     58   .   .   1   1   21   21   VAL   N   N   .   .   1   1   21   21   VAL   CA   C   .   .   1   1   21   21   VAL   C    C   .   .   1   1   22   22   TRP   N   N   .   -45.30    -25.30   .   .   .   A   .   21   VAL   N   .   .   A   .   21   VAL   CA   .   .   A   .   21   VAL   C    .   .   A   .   22   TRP   N   .   .   .   21   .   N   .   .   .   .   .   21   .   CA   .   .   .   .   .   21   .   C    .   .   .   .   .   22   .   N   .   .   rr_2n28   1    
     59   .   .   1   1   22   22   TRP   N   N   .   .   1   1   22   22   TRP   CA   C   .   .   1   1   22   22   TRP   C    C   .   .   1   1   23   23   SER   N   N   .   -20.08    -0.08    .   .   .   A   .   22   TRP   N   .   .   A   .   22   TRP   CA   .   .   A   .   22   TRP   C    .   .   A   .   23   SER   N   .   .   .   22   .   N   .   .   .   .   .   22   .   CA   .   .   .   .   .   22   .   C    .   .   .   .   .   23   .   N   .   .   rr_2n28   1    
     60   .   .   1   1   23   23   SER   N   N   .   .   1   1   23   23   SER   CA   C   .   .   1   1   23   23   SER   C    C   .   .   1   1   24   24   ILE   N   N   .   -43.90    -3.90    .   .   .   A   .   23   SER   N   .   .   A   .   23   SER   CA   .   .   A   .   23   SER   C    .   .   A   .   24   ILE   N   .   .   .   23   .   N   .   .   .   .   .   23   .   CA   .   .   .   .   .   23   .   C    .   .   .   .   .   24   .   N   .   .   rr_2n28   1    
     61   .   .   1   1   24   24   ILE   N   N   .   .   1   1   24   24   ILE   CA   C   .   .   1   1   24   24   ILE   C    C   .   .   1   1   25   25   VAL   N   N   .   -60.69    -20.69   .   .   .   A   .   24   ILE   N   .   .   A   .   24   ILE   CA   .   .   A   .   24   ILE   C    .   .   A   .   25   VAL   N   .   .   .   24   .   N   .   .   .   .   .   24   .   CA   .   .   .   .   .   24   .   C    .   .   .   .   .   25   .   N   .   .   rr_2n28   1    
     62   .   .   1   1   25   25   VAL   N   N   .   .   1   1   25   25   VAL   CA   C   .   .   1   1   25   25   VAL   C    C   .   .   1   1   26   26   ILE   N   N   .   -63.12    -23.12   .   .   .   A   .   25   VAL   N   .   .   A   .   25   VAL   CA   .   .   A   .   25   VAL   C    .   .   A   .   26   ILE   N   .   .   .   25   .   N   .   .   .   .   .   25   .   CA   .   .   .   .   .   25   .   C    .   .   .   .   .   26   .   N   .   .   rr_2n28   1    
     63   .   .   1   1   26   26   ILE   N   N   .   .   1   1   26   26   ILE   CA   C   .   .   1   1   26   26   ILE   C    C   .   .   1   1   27   27   ILE   N   N   .   -60.06    -20.06   .   .   .   A   .   26   ILE   N   .   .   A   .   26   ILE   CA   .   .   A   .   26   ILE   C    .   .   A   .   27   ILE   N   .   .   .   26   .   N   .   .   .   .   .   26   .   CA   .   .   .   .   .   26   .   C    .   .   .   .   .   27   .   N   .   .   rr_2n28   1    
     64   .   .   1   1   27   27   ILE   N   N   .   .   1   1   27   27   ILE   CA   C   .   .   1   1   27   27   ILE   C    C   .   .   1   1   28   28   GLU   N   N   .   -63.25    -23.25   .   .   .   A   .   27   ILE   N   .   .   A   .   27   ILE   CA   .   .   A   .   27   ILE   C    .   .   A   .   28   GLU   N   .   .   .   27   .   N   .   .   .   .   .   27   .   CA   .   .   .   .   .   27   .   C    .   .   .   .   .   28   .   N   .   .   rr_2n28   1    
     65   .   .   1   1   35   35   GLN   N   N   .   .   1   1   35   35   GLN   CA   C   .   .   1   1   35   35   GLN   C    C   .   .   1   1   36   36   ARG   N   N   .   -58.50    -38.50   .   .   .   A   .   35   GLN   N   .   .   A   .   35   GLN   CA   .   .   A   .   35   GLN   C    .   .   A   .   36   ARG   N   .   .   .   35   .   N   .   .   .   .   .   35   .   CA   .   .   .   .   .   35   .   C    .   .   .   .   .   36   .   N   .   .   rr_2n28   1    
     66   .   .   1   1   36   36   ARG   N   N   .   .   1   1   36   36   ARG   CA   C   .   .   1   1   36   36   ARG   C    C   .   .   1   1   37   37   LYS   N   N   .   -51.84    -31.84   .   .   .   A   .   36   ARG   N   .   .   A   .   36   ARG   CA   .   .   A   .   36   ARG   C    .   .   A   .   37   LYS   N   .   .   .   36   .   N   .   .   .   .   .   36   .   CA   .   .   .   .   .   36   .   C    .   .   .   .   .   37   .   N   .   .   rr_2n28   1    
     67   .   .   1   1   37   37   LYS   N   N   .   .   1   1   37   37   LYS   CA   C   .   .   1   1   37   37   LYS   C    C   .   .   1   1   38   38   ILE   N   N   .   -46.79    -26.79   .   .   .   A   .   37   LYS   N   .   .   A   .   37   LYS   CA   .   .   A   .   37   LYS   C    .   .   A   .   38   ILE   N   .   .   .   37   .   N   .   .   .   .   .   37   .   CA   .   .   .   .   .   37   .   C    .   .   .   .   .   38   .   N   .   .   rr_2n28   1    
     68   .   .   1   1   38   38   ILE   N   N   .   .   1   1   38   38   ILE   CA   C   .   .   1   1   38   38   ILE   C    C   .   .   1   1   39   39   ASP   N   N   .   -51.88    -31.88   .   .   .   A   .   38   ILE   N   .   .   A   .   38   ILE   CA   .   .   A   .   38   ILE   C    .   .   A   .   39   ASP   N   .   .   .   38   .   N   .   .   .   .   .   38   .   CA   .   .   .   .   .   38   .   C    .   .   .   .   .   39   .   N   .   .   rr_2n28   1    
     69   .   .   1   1   39   39   ASP   N   N   .   .   1   1   39   39   ASP   CA   C   .   .   1   1   39   39   ASP   C    C   .   .   1   1   40   40   ARG   N   N   .   -36.56    -16.56   .   .   .   A   .   39   ASP   N   .   .   A   .   39   ASP   CA   .   .   A   .   39   ASP   C    .   .   A   .   40   ARG   N   .   .   .   39   .   N   .   .   .   .   .   39   .   CA   .   .   .   .   .   39   .   C    .   .   .   .   .   40   .   N   .   .   rr_2n28   1    
     70   .   .   1   1   40   40   ARG   N   N   .   .   1   1   40   40   ARG   CA   C   .   .   1   1   40   40   ARG   C    C   .   .   1   1   41   41   LEU   N   N   .   -11.22    8.78     .   .   .   A   .   40   ARG   N   .   .   A   .   40   ARG   CA   .   .   A   .   40   ARG   C    .   .   A   .   41   LEU   N   .   .   .   40   .   N   .   .   .   .   .   40   .   CA   .   .   .   .   .   40   .   C    .   .   .   .   .   41   .   N   .   .   rr_2n28   1    
     71   .   .   1   1   41   41   LEU   N   N   .   .   1   1   41   41   LEU   CA   C   .   .   1   1   41   41   LEU   C    C   .   .   1   1   42   42   ILE   N   N   .   -44.19    -24.19   .   .   .   A   .   41   LEU   N   .   .   A   .   41   LEU   CA   .   .   A   .   41   LEU   C    .   .   A   .   42   ILE   N   .   .   .   41   .   N   .   .   .   .   .   41   .   CA   .   .   .   .   .   41   .   C    .   .   .   .   .   42   .   N   .   .   rr_2n28   1    
     72   .   .   1   1   42   42   ILE   N   N   .   .   1   1   42   42   ILE   CA   C   .   .   1   1   42   42   ILE   C    C   .   .   1   1   43   43   ASP   N   N   .   -50.42    -30.42   .   .   .   A   .   42   ILE   N   .   .   A   .   42   ILE   CA   .   .   A   .   42   ILE   C    .   .   A   .   43   ASP   N   .   .   .   42   .   N   .   .   .   .   .   42   .   CA   .   .   .   .   .   42   .   C    .   .   .   .   .   43   .   N   .   .   rr_2n28   1    
     73   .   .   1   1   43   43   ASP   N   N   .   .   1   1   43   43   ASP   CA   C   .   .   1   1   43   43   ASP   C    C   .   .   1   1   44   44   ARG   N   N   .   -40.91    -20.91   .   .   .   A   .   43   ASP   N   .   .   A   .   43   ASP   CA   .   .   A   .   43   ASP   C    .   .   A   .   44   ARG   N   .   .   .   43   .   N   .   .   .   .   .   43   .   CA   .   .   .   .   .   43   .   C    .   .   .   .   .   44   .   N   .   .   rr_2n28   1    
     74   .   .   1   1   44   44   ARG   N   N   .   .   1   1   44   44   ARG   CA   C   .   .   1   1   44   44   ARG   C    C   .   .   1   1   45   45   LEU   N   N   .   -43.07    -23.07   .   .   .   A   .   44   ARG   N   .   .   A   .   44   ARG   CA   .   .   A   .   44   ARG   C    .   .   A   .   45   LEU   N   .   .   .   44   .   N   .   .   .   .   .   44   .   CA   .   .   .   .   .   44   .   C    .   .   .   .   .   45   .   N   .   .   rr_2n28   1    
     75   .   .   1   1   45   45   LEU   N   N   .   .   1   1   45   45   LEU   CA   C   .   .   1   1   45   45   LEU   C    C   .   .   1   1   46   46   ILE   N   N   .   -53.62    -33.62   .   .   .   A   .   45   LEU   N   .   .   A   .   45   LEU   CA   .   .   A   .   45   LEU   C    .   .   A   .   46   ILE   N   .   .   .   45   .   N   .   .   .   .   .   45   .   CA   .   .   .   .   .   45   .   C    .   .   .   .   .   46   .   N   .   .   rr_2n28   1    
     76   .   .   1   1   46   46   ILE   N   N   .   .   1   1   46   46   ILE   CA   C   .   .   1   1   46   46   ILE   C    C   .   .   1   1   47   47   GLU   N   N   .   -61.29    -21.29   .   .   .   A   .   46   ILE   N   .   .   A   .   46   ILE   CA   .   .   A   .   46   ILE   C    .   .   A   .   47   GLU   N   .   .   .   46   .   N   .   .   .   .   .   46   .   CA   .   .   .   .   .   46   .   C    .   .   .   .   .   47   .   N   .   .   rr_2n28   1    
     77   .   .   1   1   47   47   GLU   N   N   .   .   1   1   47   47   GLU   CA   C   .   .   1   1   47   47   GLU   C    C   .   .   1   1   48   48   ARG   N   N   .   -56.55    -16.55   .   .   .   A   .   47   GLU   N   .   .   A   .   47   GLU   CA   .   .   A   .   47   GLU   C    .   .   A   .   48   ARG   N   .   .   .   47   .   N   .   .   .   .   .   47   .   CA   .   .   .   .   .   47   .   C    .   .   .   .   .   48   .   N   .   .   rr_2n28   1    
     78   .   .   1   1   48   48   ARG   N   N   .   .   1   1   48   48   ARG   CA   C   .   .   1   1   48   48   ARG   C    C   .   .   1   1   49   49   ALA   N   N   .   -32.67    7.33     .   .   .   A   .   48   ARG   N   .   .   A   .   48   ARG   CA   .   .   A   .   48   ARG   C    .   .   A   .   49   ALA   N   .   .   .   48   .   N   .   .   .   .   .   48   .   CA   .   .   .   .   .   48   .   C    .   .   .   .   .   49   .   N   .   .   rr_2n28   1    
     79   .   .   1   1   59   59   GLU   N   N   .   .   1   1   59   59   GLU   CA   C   .   .   1   1   59   59   GLU   C    C   .   .   1   1   60   60   ILE   N   N   .   -60.49    -20.49   .   .   .   A   .   59   GLU   N   .   .   A   .   59   GLU   CA   .   .   A   .   59   GLU   C    .   .   A   .   60   ILE   N   .   .   .   59   .   N   .   .   .   .   .   59   .   CA   .   .   .   .   .   59   .   C    .   .   .   .   .   60   .   N   .   .   rr_2n28   1    
     80   .   .   1   1   60   60   ILE   N   N   .   .   1   1   60   60   ILE   CA   C   .   .   1   1   60   60   ILE   C    C   .   .   1   1   61   61   SER   N   N   .   -41.29    -21.29   .   .   .   A   .   60   ILE   N   .   .   A   .   60   ILE   CA   .   .   A   .   60   ILE   C    .   .   A   .   61   SER   N   .   .   .   60   .   N   .   .   .   .   .   60   .   CA   .   .   .   .   .   60   .   C    .   .   .   .   .   61   .   N   .   .   rr_2n28   1    
     81   .   .   1   1   61   61   SER   N   N   .   .   1   1   61   61   SER   CA   C   .   .   1   1   61   61   SER   C    C   .   .   1   1   62   62   ALA   N   N   .   -28.34    -8.34    .   .   .   A   .   61   SER   N   .   .   A   .   61   SER   CA   .   .   A   .   61   SER   C    .   .   A   .   62   ALA   N   .   .   .   61   .   N   .   .   .   .   .   61   .   CA   .   .   .   .   .   61   .   C    .   .   .   .   .   62   .   N   .   .   rr_2n28   1    
     82   .   .   1   1   62   62   ALA   N   N   .   .   1   1   62   62   ALA   CA   C   .   .   1   1   62   62   ALA   C    C   .   .   1   1   63   63   LEU   N   N   .   -35.87    -15.87   .   .   .   A   .   62   ALA   N   .   .   A   .   62   ALA   CA   .   .   A   .   62   ALA   C    .   .   A   .   63   LEU   N   .   .   .   62   .   N   .   .   .   .   .   62   .   CA   .   .   .   .   .   62   .   C    .   .   .   .   .   63   .   N   .   .   rr_2n28   1    
     83   .   .   1   1   63   63   LEU   N   N   .   .   1   1   63   63   LEU   CA   C   .   .   1   1   63   63   LEU   C    C   .   .   1   1   64   64   VAL   N   N   .   -39.81    -19.81   .   .   .   A   .   63   LEU   N   .   .   A   .   63   LEU   CA   .   .   A   .   63   LEU   C    .   .   A   .   64   VAL   N   .   .   .   63   .   N   .   .   .   .   .   63   .   CA   .   .   .   .   .   63   .   C    .   .   .   .   .   64   .   N   .   .   rr_2n28   1    
     84   .   .   1   1   64   64   VAL   N   N   .   .   1   1   64   64   VAL   CA   C   .   .   1   1   64   64   VAL   C    C   .   .   1   1   65   65   GLU   N   N   .   -54.07    -34.07   .   .   .   A   .   64   VAL   N   .   .   A   .   64   VAL   CA   .   .   A   .   64   VAL   C    .   .   A   .   65   GLU   N   .   .   .   64   .   N   .   .   .   .   .   64   .   CA   .   .   .   .   .   64   .   C    .   .   .   .   .   65   .   N   .   .   rr_2n28   1    
     85   .   .   1   1   65   65   GLU   N   N   .   .   1   1   65   65   GLU   CA   C   .   .   1   1   65   65   GLU   C    C   .   .   1   1   66   66   LEU   N   N   .   -35.10    -15.10   .   .   .   A   .   65   GLU   N   .   .   A   .   65   GLU   CA   .   .   A   .   65   GLU   C    .   .   A   .   66   LEU   N   .   .   .   65   .   N   .   .   .   .   .   65   .   CA   .   .   .   .   .   65   .   C    .   .   .   .   .   66   .   N   .   .   rr_2n28   1    
     86   .   .   1   1   66   66   LEU   N   N   .   .   1   1   66   66   LEU   CA   C   .   .   1   1   66   66   LEU   C    C   .   .   1   1   67   67   GLY   N   N   .   -43.85    -23.85   .   .   .   A   .   66   LEU   N   .   .   A   .   66   LEU   CA   .   .   A   .   66   LEU   C    .   .   A   .   67   GLY   N   .   .   .   66   .   N   .   .   .   .   .   66   .   CA   .   .   .   .   .   66   .   C    .   .   .   .   .   67   .   N   .   .   rr_2n28   1    
     87   .   .   1   1   67   67   GLY   N   N   .   .   1   1   67   67   GLY   CA   C   .   .   1   1   67   67   GLY   C    C   .   .   1   1   68   68   VAL   N   N   .   -43.38    -23.38   .   .   .   A   .   67   GLY   N   .   .   A   .   67   GLY   CA   .   .   A   .   67   GLY   C    .   .   A   .   68   VAL   N   .   .   .   67   .   N   .   .   .   .   .   67   .   CA   .   .   .   .   .   67   .   C    .   .   .   .   .   68   .   N   .   .   rr_2n28   1    
     88   .   .   1   1   68   68   VAL   N   N   .   .   1   1   68   68   VAL   CA   C   .   .   1   1   68   68   VAL   C    C   .   .   1   1   69   69   GLU   N   N   .   -56.21    -36.21   .   .   .   A   .   68   VAL   N   .   .   A   .   68   VAL   CA   .   .   A   .   68   VAL   C    .   .   A   .   69   GLU   N   .   .   .   68   .   N   .   .   .   .   .   68   .   CA   .   .   .   .   .   68   .   C    .   .   .   .   .   69   .   N   .   .   rr_2n28   1    
     89   .   .   1   1   69   69   GLU   N   N   .   .   1   1   69   69   GLU   CA   C   .   .   1   1   69   69   GLU   C    C   .   .   1   1   70   70   LEU   N   N   .   -50.14    -30.14   .   .   .   A   .   69   GLU   N   .   .   A   .   69   GLU   CA   .   .   A   .   69   GLU   C    .   .   A   .   70   LEU   N   .   .   .   69   .   N   .   .   .   .   .   69   .   CA   .   .   .   .   .   69   .   C    .   .   .   .   .   70   .   N   .   .   rr_2n28   1    
     90   .   .   1   1   70   70   LEU   N   N   .   .   1   1   70   70   LEU   CA   C   .   .   1   1   70   70   LEU   C    C   .   .   1   1   71   71   GLY   N   N   .   -51.09    -31.09   .   .   .   A   .   70   LEU   N   .   .   A   .   70   LEU   CA   .   .   A   .   70   LEU   C    .   .   A   .   71   GLY   N   .   .   .   70   .   N   .   .   .   .   .   70   .   CA   .   .   .   .   .   70   .   C    .   .   .   .   .   71   .   N   .   .   rr_2n28   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    '1. V 9 Phi -64.31 +/- 29.82 (-94.13 to -34.50)'      1     1   1     49   rr_2n28   1    
     2    '2. A 10 Phi -64.34 +/- 9.87 (-74.22 to -54.47)'      6     1   6     49   rr_2n28   1    
     3    '3. L 11 Phi -61.46 +/- 12.74 (-74.20 to -48.72)'     11    1   11    50   rr_2n28   1    
     4    '4. V 12 Phi -64.26 +/- 12.43 (-76.70 to -51.83)'     16    1   16    50   rr_2n28   1    
     5    '5. V 13 Phi -63.08 +/- 12.87 (-75.94 to -50.21)'     21    1   21    50   rr_2n28   1    
     6    '6. A 14 Phi -60.90 +/- 13.23 (-74.13 to -47.67)'     26    1   26    50   rr_2n28   1    
     7    '7. I 15 Phi -64.38 +/- 9.60 (-73.99 to -54.78)'      31    1   31    49   rr_2n28   1    
     8    '8. I 16 Phi -61.36 +/- 13.98 (-75.34 to -47.38)'     36    1   36    50   rr_2n28   1    
     9    '9. I 17 Phi -64.31 +/- 10.87 (-75.18 to -53.44)'     41    1   41    50   rr_2n28   1    
     10   '10. A 18 Phi -67.18 +/- 30.24 (-97.42 to -36.94)'    46    1   46    51   rr_2n28   1    
     11   '11. I 19 Phi -68.00 +/- 21.94 (-89.95 to -46.06)'    51    1   51    51   rr_2n28   1    
     12   '12. V 20 Phi -61.92 +/- 11.48 (-73.41 to -50.44)'    56    1   56    51   rr_2n28   1    
     13   '13. V 21 Phi -70.72 +/- 24.14 (-94.86 to -46.58)'    61    1   61    51   rr_2n28   1    
     14   '14. W 22 Phi -91.70 +/- 37.10 (-128.80 to -54.61)'   66    1   66    52   rr_2n28   1    
     15   '15. S 23 Phi -66.90 +/- 35.85 (-102.75 to -31.05)'   71    1   71    52   rr_2n28   1    
     16   '16. I 24 Phi -62.26 +/- 9.17 (-71.43 to -53.09)'     76    1   76    50   rr_2n28   1    
     17   '17. V 25 Phi -67.00 +/- 16.59 (-83.59 to -50.41)'    81    1   81    51   rr_2n28   1    
     18   '18. I 26 Phi -61.55 +/- 9.02 (-70.57 to -52.53)'     86    1   86    50   rr_2n28   1    
     19   '19. I 27 Phi -65.19 +/- 41.04 (-106.24 to -24.15)'   91    1   91    52   rr_2n28   1    
     20   '20. Q 35 Phi -61.18 +/- 15.02 (-76.21 to -46.16)'    96    1   96    51   rr_2n28   1    
     21   '21. R 36 Phi -62.25 +/- 15.67 (-77.93 to -46.58)'    101   1   101   51   rr_2n28   1    
     22   '22. K 37 Phi -62.90 +/- 13.12 (-76.02 to -49.78)'    106   1   106   51   rr_2n28   1    
     23   '23. I 38 Phi -62.23 +/- 7.06 (-69.29 to -55.17)'     111   1   111   50   rr_2n28   1    
     24   '24. D 39 Phi -72.39 +/- 28.30 (-100.69 to -44.09)'   116   1   116   52   rr_2n28   1    
     25   '25. R 40 Phi -94.45 +/- 42.23 (-136.68 to -52.22)'   121   1   121   52   rr_2n28   1    
     26   '26. L 41 Phi -64.01 +/- 19.28 (-83.29 to -44.73)'    126   1   126   51   rr_2n28   1    
     27   '27. I 42 Phi -63.77 +/- 10.36 (-74.14 to -53.41)'    131   1   131   51   rr_2n28   1    
     28   '28. D 43 Phi -67.78 +/- 21.98 (-89.77 to -45.80)'    136   1   136   51   rr_2n28   1    
     29   '29. R 44 Phi -73.13 +/- 27.76 (-100.88 to -45.37)'   141   1   141   52   rr_2n28   1    
     30   '30. L 45 Phi -61.63 +/- 8.37 (-69.99 to -53.26)'     146   1   146   50   rr_2n28   1    
     31   '31. I 46 Phi -62.91 +/- 6.11 (-69.01 to -56.80)'     151   1   151   50   rr_2n28   1    
     32   '32. E 47 Phi -63.17 +/- 9.71 (-72.88 to -53.47)'     156   1   156   50   rr_2n28   1    
     33   '33. R 48 Phi -86.97 +/- 22.27 (-109.24 to -64.70)'   161   1   161   52   rr_2n28   1    
     34   '34. E 59 Phi -63.46 +/- 9.04 (-72.50 to -54.42)'     166   1   166   50   rr_2n28   1    
     35   '35. I 60 Phi -68.42 +/- 21.24 (-89.66 to -47.19)'    171   1   171   51   rr_2n28   1    
     36   '36. S 61 Phi -75.00 +/- 35.53 (-110.53 to -39.47)'   176   1   176   52   rr_2n28   1    
     37   '37. A 62 Phi -76.73 +/- 33.24 (-109.97 to -43.50)'   181   1   181   52   rr_2n28   1    
     38   '38. L 63 Phi -77.75 +/- 32.86 (-110.61 to -44.88)'   186   1   186   52   rr_2n28   1    
     39   '39. V 64 Phi -60.23 +/- 28.02 (-88.24 to -32.21)'    191   1   191   51   rr_2n28   1    
     40   '40. E 65 Phi -71.87 +/- 23.65 (-95.51 to -48.22)'    196   1   196   51   rr_2n28   1    
     41   '41. L 66 Phi -67.21 +/- 18.49 (-85.70 to -48.72)'    201   1   201   51   rr_2n28   1    
     42   '42. G 67 Phi -87.22 +/- 53.30 (-140.53 to -33.92)'   206   1   206   52   rr_2n28   1    
     43   '43. V 68 Phi -80.00 +/- 48.28 (-128.28 to -31.72)'   211   1   211   52   rr_2n28   1    
     44   '44. E 69 Phi -70.20 +/- 24.57 (-94.78 to -45.63)'    216   1   216   51   rr_2n28   1    
     45   '45. L 70 Phi -65.67 +/- 16.18 (-81.85 to -49.48)'    221   1   221   51   rr_2n28   1    
     46   '46. V 9 Psi -43.25 +/- 13.57 (-56.82 to -29.68)'     227   1   227   50   rr_2n28   1    
     47   '47. A 10 Psi -32.75 +/- 28.04 (-60.80 to -4.71)'     232   1   232   50   rr_2n28   1    
     48   '48. L 11 Psi -41.01 +/- 21.69 (-62.70 to -19.31)'    237   1   237   51   rr_2n28   1    
     49   '49. V 12 Psi -43.37 +/- 14.67 (-58.03 to -28.70)'    242   1   242   51   rr_2n28   1    
     50   '50. V 13 Psi -44.12 +/- 12.84 (-56.95 to -31.28)'    247   1   247   51   rr_2n28   1    
     51   '51. A 14 Psi -43.31 +/- 15.11 (-58.43 to -28.20)'    252   1   252   51   rr_2n28   1    
     52   '52. I 15 Psi -42.08 +/- 14.35 (-56.43 to -27.73)'    257   1   257   51   rr_2n28   1    
     53   '53. I 16 Psi -41.10 +/- 11.44 (-52.55 to -29.66)'    262   1   262   51   rr_2n28   1    
     54   '54. I 17 Psi -40.34 +/- 14.14 (-54.48 to -26.20)'    267   1   267   51   rr_2n28   1    
     55   '55. A 18 Psi -40.67 +/- 18.19 (-58.86 to -22.48)'    272   1   272   51   rr_2n28   1    
     56   '56. I 19 Psi -41.12 +/- 21.20 (-62.32 to -19.92)'    277   1   277   51   rr_2n28   1    
     57   '57. V 20 Psi -45.09 +/- 10.26 (-55.35 to -34.83)'    282   1   282   51   rr_2n28   1    
     58   '58. V 21 Psi -35.30 +/- 18.89 (-54.19 to -16.41)'    287   1   287   51   rr_2n28   1    
     59   '59. W 22 Psi -10.08 +/- 66.61 (-76.69 to 56.53)'     292   1   292   50   rr_2n28   1    
     60   '60. S 23 Psi -23.90 +/- 57.82 (-81.72 to 33.91)'     297   1   297   50   rr_2n28   1    
     61   '61. I 24 Psi -40.69 +/- 18.37 (-59.06 to -22.32)'    302   1   302   51   rr_2n28   1    
     62   '62. V 25 Psi -43.12 +/- 13.49 (-56.61 to -29.63)'    307   1   307   51   rr_2n28   1    
     63   '63. I 26 Psi -40.06 +/- 11.87 (-51.93 to -28.18)'    312   1   312   51   rr_2n28   1    
     64   '64. I 27 Psi -43.25 +/- 21.56 (-64.81 to -21.70)'    317   1   317   51   rr_2n28   1    
     65   '65. Q 35 Psi -48.50 +/- 14.92 (-63.42 to -33.58)'    322   1   322   51   rr_2n28   1    
     66   '66. R 36 Psi -41.84 +/- 6.06 (-47.90 to -35.79)'     327   1   327   50   rr_2n28   1    
     67   '67. K 37 Psi -36.79 +/- 21.12 (-57.91 to -15.67)'    332   1   332   51   rr_2n28   1    
     68   '68. I 38 Psi -41.88 +/- 12.27 (-54.15 to -29.61)'    337   1   337   51   rr_2n28   1    
     69   '69. D 39 Psi -26.56 +/- 16.10 (-42.66 to -10.46)'    342   1   342   51   rr_2n28   1    
     70   '70. R 40 Psi -1.22 +/- 53.81 (-55.02 to 52.59)'      347   1   347   49   rr_2n28   1    
     71   '71. L 41 Psi -34.19 +/- 21.70 (-55.89 to -12.50)'    352   1   352   51   rr_2n28   1    
     72   '72. I 42 Psi -40.42 +/- 17.01 (-57.43 to -23.42)'    357   1   357   51   rr_2n28   1    
     73   '73. D 43 Psi -30.91 +/- 15.23 (-46.14 to -15.68)'    362   1   362   51   rr_2n28   1    
     74   '74. R 44 Psi -33.07 +/- 34.16 (-67.23 to 1.09)'      367   1   367   49   rr_2n28   1    
     75   '75. L 45 Psi -43.62 +/- 8.31 (-51.92 to -35.31)'     372   1   372   50   rr_2n28   1    
     76   '76. I 46 Psi -41.29 +/- 9.82 (-51.11 to -31.47)'     377   1   377   50   rr_2n28   1    
     77   '77. E 47 Psi -36.55 +/- 13.76 (-50.30 to -22.79)'    382   1   382   51   rr_2n28   1    
     78   '78. R 48 Psi -12.67 +/- 16.37 (-29.04 to 3.70)'      387   1   387   49   rr_2n28   1    
     79   '79. E 59 Psi -40.49 +/- 9.34 (-49.83 to -31.16)'     392   1   392   50   rr_2n28   1    
     80   '80. I 60 Psi -31.29 +/- 26.57 (-57.87 to -4.72)'     397   1   397   50   rr_2n28   1    
     81   '81. S 61 Psi -18.34 +/- 35.48 (-53.82 to 17.14)'     402   1   402   50   rr_2n28   1    
     82   '82. A 62 Psi -25.87 +/- 28.44 (-54.30 to 2.57)'      407   1   407   49   rr_2n28   1    
     83   '83. L 63 Psi -29.81 +/- 36.37 (-66.18 to 6.56)'      412   1   412   49   rr_2n28   1    
     84   '84. V 64 Psi -44.07 +/- 7.28 (-51.35 to -36.79)'     417   1   417   50   rr_2n28   1    
     85   '85. E 65 Psi -25.10 +/- 63.25 (-88.34 to 38.15)'     422   1   422   50   rr_2n28   1    
     86   '86. L 66 Psi -33.85 +/- 25.49 (-59.34 to -8.35)'     427   1   427   50   rr_2n28   1    
     87   '87. G 67 Psi -33.38 +/- 37.39 (-70.76 to 4.01)'      432   1   432   49   rr_2n28   1    
     88   '88. V 68 Psi -46.21 +/- 21.56 (-67.77 to -24.65)'    437   1   437   51   rr_2n28   1    
     89   '89. E 69 Psi -40.14 +/- 17.92 (-58.06 to -22.21)'    442   1   442   51   rr_2n28   1    
     90   '90. L 70 Psi -41.09 +/- 17.17 (-58.27 to -23.92)'    447   1   447   51   rr_2n28   1    
     91   'Dipolar Coupling Table for Vpu NH useSign = False'   452   1   452   57   rr_2n28   1    

   stop_

save_

save_CNS/XPLOR_dipolar_coupling_3
   _RDC_constraint_list.Sf_category         RDC_constraints
   _RDC_constraint_list.Sf_framecode        CNS/XPLOR_dipolar_coupling_3
   _RDC_constraint_list.Entry_ID            rr_2n28
   _RDC_constraint_list.ID                  1
   _RDC_constraint_list.Details             'Generated by Wattos'
   _RDC_constraint_list.Constraint_file_ID  1
   _RDC_constraint_list.Block_ID            3

   loop_
      _RDC_constraint_software.Software_ID
      _RDC_constraint_software.Software_label
      _RDC_constraint_software.Method_ID
      _RDC_constraint_software.Method_label
      _RDC_constraint_software.Entry_ID
      _RDC_constraint_software.RDC_constraint_list_ID

     .   .   .   .   rr_2n28   1    

   stop_

   loop_
      _RDC_constraint.ID
      _RDC_constraint.Assembly_atom_ID_1
      _RDC_constraint.Entity_assembly_ID_1
      _RDC_constraint.Entity_ID_1
      _RDC_constraint.Comp_index_ID_1
      _RDC_constraint.Seq_ID_1
      _RDC_constraint.Comp_ID_1
      _RDC_constraint.Atom_ID_1
      _RDC_constraint.Atom_type_1
      _RDC_constraint.Atom_isotope_number_1
      _RDC_constraint.Resonance_ID_1
      _RDC_constraint.Assembly_atom_ID_2
      _RDC_constraint.Entity_assembly_ID_2
      _RDC_constraint.Entity_ID_2
      _RDC_constraint.Comp_index_ID_2
      _RDC_constraint.Seq_ID_2
      _RDC_constraint.Comp_ID_2
      _RDC_constraint.Atom_ID_2
      _RDC_constraint.Atom_type_2
      _RDC_constraint.Atom_isotope_number_2
      _RDC_constraint.Resonance_ID_2
      _RDC_constraint.RDC_val
      _RDC_constraint.RDC_lower_bound
      _RDC_constraint.RDC_upper_bound
      _RDC_constraint.RDC_val_err
      _RDC_constraint.RDC_val_scale_factor
      _RDC_constraint.RDC_bond_length
      _RDC_constraint.Source_experiment_ID
      _RDC_constraint.PDB_record_ID_1
      _RDC_constraint.PDB_model_num_1
      _RDC_constraint.PDB_strand_ID_1
      _RDC_constraint.PDB_ins_code_1
      _RDC_constraint.PDB_residue_no_1
      _RDC_constraint.PDB_residue_name_1
      _RDC_constraint.PDB_atom_name_1
      _RDC_constraint.PDB_record_ID_2
      _RDC_constraint.PDB_model_num_2
      _RDC_constraint.PDB_strand_ID_2
      _RDC_constraint.PDB_ins_code_2
      _RDC_constraint.PDB_residue_no_2
      _RDC_constraint.PDB_residue_name_2
      _RDC_constraint.PDB_atom_name_2
      _RDC_constraint.Auth_entity_assembly_ID_1
      _RDC_constraint.Auth_asym_ID_1
      _RDC_constraint.Auth_chain_ID_1
      _RDC_constraint.Auth_seq_ID_1
      _RDC_constraint.Auth_comp_ID_1
      _RDC_constraint.Auth_atom_ID_1
      _RDC_constraint.Auth_alt_ID_1
      _RDC_constraint.Auth_atom_name_1
      _RDC_constraint.Auth_entity_assembly_ID_2
      _RDC_constraint.Auth_asym_ID_2
      _RDC_constraint.Auth_chain_ID_2
      _RDC_constraint.Auth_seq_ID_2
      _RDC_constraint.Auth_comp_ID_2
      _RDC_constraint.Auth_atom_ID_2
      _RDC_constraint.Auth_alt_ID_2
      _RDC_constraint.Auth_atom_name_2
      _RDC_constraint.Entry_ID
      _RDC_constraint.RDC_constraint_list_ID

     1    .   1   1   26   26   ILE   N    N   .   .   .   1   1   26   26   ILE   H    H   .   .   8.362     .        .        .   .   .   .   .   .   A   .   26   ILE   N    .   .   A   .   26   ILE   H    .   .   .   26   .   N    .   .   .   .   .   26   .   HN   .   .   rr_2n28   1    
     2    .   1   1   27   27   ILE   N    N   .   .   .   1   1   27   27   ILE   H    H   .   .   8.598     .        .        .   .   .   .   .   .   A   .   27   ILE   N    .   .   A   .   27   ILE   H    .   .   .   27   .   N    .   .   .   .   .   27   .   HN   .   .   rr_2n28   1    
     3    .   1   1   35   35   GLN   N    N   .   .   .   1   1   35   35   GLN   H    H   .   .   -7.598    .        .        .   .   .   .   .   .   A   .   35   GLN   N    .   .   A   .   35   GLN   H    .   .   .   35   .   N    .   .   .   .   .   35   .   HN   .   .   rr_2n28   1    
     4    .   1   1   37   37   LYS   N    N   .   .   .   1   1   37   37   LYS   H    H   .   .   -7.834    .        .        .   .   .   .   .   .   A   .   37   LYS   N    .   .   A   .   37   LYS   H    .   .   .   37   .   N    .   .   .   .   .   37   .   HN   .   .   rr_2n28   1    
     5    .   1   1   40   40   ARG   N    N   .   .   .   1   1   40   40   ARG   H    H   .   .   -7.774    .        .        .   .   .   .   .   .   A   .   40   ARG   N    .   .   A   .   40   ARG   H    .   .   .   40   .   N    .   .   .   .   .   40   .   HN   .   .   rr_2n28   1    
     6    .   1   1   41   41   LEU   N    N   .   .   .   1   1   41   41   LEU   H    H   .   .   -9.156    .        .        .   .   .   .   .   .   A   .   41   LEU   N    .   .   A   .   41   LEU   H    .   .   .   41   .   N    .   .   .   .   .   41   .   HN   .   .   rr_2n28   1    
     7    .   1   1   42   42   ILE   N    N   .   .   .   1   1   42   42   ILE   H    H   .   .   -8.538    .        .        .   .   .   .   .   .   A   .   42   ILE   N    .   .   A   .   42   ILE   H    .   .   .   42   .   N    .   .   .   .   .   42   .   HN   .   .   rr_2n28   1    
     8    .   1   1   43   43   ASP   N    N   .   .   .   1   1   43   43   ASP   H    H   .   .   -6.304    .        .        .   .   .   .   .   .   A   .   43   ASP   N    .   .   A   .   43   ASP   H    .   .   .   43   .   N    .   .   .   .   .   43   .   HN   .   .   rr_2n28   1    
     9    .   1   1   44   44   ARG   N    N   .   .   .   1   1   44   44   ARG   H    H   .   .   -8.068    .        .        .   .   .   .   .   .   A   .   44   ARG   N    .   .   A   .   44   ARG   H    .   .   .   44   .   N    .   .   .   .   .   44   .   HN   .   .   rr_2n28   1    
     10   .   1   1   45   45   LEU   N    N   .   .   .   1   1   45   45   LEU   H    H   .   .   -8.628    .        .        .   .   .   .   .   .   A   .   45   LEU   N    .   .   A   .   45   LEU   H    .   .   .   45   .   N    .   .   .   .   .   45   .   HN   .   .   rr_2n28   1    
     11   .   1   1   46   46   ILE   N    N   .   .   .   1   1   46   46   ILE   H    H   .   .   -8.893    -8.893   -5.893   .   .   .   .   .   .   A   .   46   ILE   N    .   .   A   .   46   ILE   H    .   .   .   46   .   N    .   .   .   .   .   46   .   HN   .   .   rr_2n28   1    
     12   .   1   1   47   47   GLU   N    N   .   .   .   1   1   47   47   GLU   H    H   .   .   -8.040    .        .        .   .   .   .   .   .   A   .   47   GLU   N    .   .   A   .   47   GLU   H    .   .   .   47   .   N    .   .   .   .   .   47   .   HN   .   .   rr_2n28   1    
     13   .   1   1   48   48   ARG   N    N   .   .   .   1   1   48   48   ARG   H    H   .   .   -6.716    .        .        .   .   .   .   .   .   A   .   48   ARG   N    .   .   A   .   48   ARG   H    .   .   .   48   .   N    .   .   .   .   .   48   .   HN   .   .   rr_2n28   1    
     14   .   1   1   49   49   ALA   N    N   .   .   .   1   1   49   49   ALA   H    H   .   .   -8.656    .        .        .   .   .   .   .   .   A   .   49   ALA   N    .   .   A   .   49   ALA   H    .   .   .   49   .   N    .   .   .   .   .   49   .   HN   .   .   rr_2n28   1    
     15   .   1   1   60   60   ILE   N    N   .   .   .   1   1   60   60   ILE   H    H   .   .   -7.392    .        .        .   .   .   .   .   .   A   .   60   ILE   N    .   .   A   .   60   ILE   H    .   .   .   60   .   N    .   .   .   .   .   60   .   HN   .   .   rr_2n28   1    
     16   .   1   1   61   61   SER   N    N   .   .   .   1   1   61   61   SER   H    H   .   .   -8.568    .        .        .   .   .   .   .   .   A   .   61   SER   N    .   .   A   .   61   SER   H    .   .   .   61   .   N    .   .   .   .   .   61   .   HN   .   .   rr_2n28   1    
     17   .   1   1   62   62   ALA   N    N   .   .   .   1   1   62   62   ALA   H    H   .   .   -5.864    .        .        .   .   .   .   .   .   A   .   62   ALA   N    .   .   A   .   62   ALA   H    .   .   .   62   .   N    .   .   .   .   .   62   .   HN   .   .   rr_2n28   1    
     18   .   1   1   64   64   VAL   N    N   .   .   .   1   1   64   64   VAL   H    H   .   .   -8.628    .        .        .   .   .   .   .   .   A   .   64   VAL   N    .   .   A   .   64   VAL   H    .   .   .   64   .   N    .   .   .   .   .   64   .   HN   .   .   rr_2n28   1    
     19   .   1   1   65   65   GLU   N    N   .   .   .   1   1   65   65   GLU   H    H   .   .   -5.276    .        .        .   .   .   .   .   .   A   .   65   GLU   N    .   .   A   .   65   GLU   H    .   .   .   65   .   N    .   .   .   .   .   65   .   HN   .   .   rr_2n28   1    
     20   .   1   1   66   66   LEU   N    N   .   .   .   1   1   66   66   LEU   H    H   .   .   -8.040    .        .        .   .   .   .   .   .   A   .   66   LEU   N    .   .   A   .   66   LEU   H    .   .   .   66   .   N    .   .   .   .   .   66   .   HN   .   .   rr_2n28   1    
     21   .   1   1   68   68   VAL   N    N   .   .   .   1   1   68   68   VAL   H    H   .   .   -6.452    .        .        .   .   .   .   .   .   A   .   68   VAL   N    .   .   A   .   68   VAL   H    .   .   .   68   .   N    .   .   .   .   .   68   .   HN   .   .   rr_2n28   1    
     22   .   1   1   69   69   GLU   N    N   .   .   .   1   1   69   69   GLU   H    H   .   .   -7.216    .        .        .   .   .   .   .   .   A   .   69   GLU   N    .   .   A   .   69   GLU   H    .   .   .   69   .   N    .   .   .   .   .   69   .   HN   .   .   rr_2n28   1    
     23   .   1   1   70   70   LEU   N    N   .   .   .   1   1   70   70   LEU   H    H   .   .   -9.156    .        .        .   .   .   .   .   .   A   .   70   LEU   N    .   .   A   .   70   LEU   H    .   .   .   70   .   N    .   .   .   .   .   70   .   HN   .   .   rr_2n28   1    
     24   .   1   1   9    9    VAL   CA   C   .   .   .   1   1   9    9    VAL   HA   H   .   .   -18.100   .        .        .   .   .   .   .   .   A   .   9    VAL   CA   .   .   A   .   9    VAL   HA   .   .   .   9    .   CA   .   .   .   .   .   9    .   HA   .   .   rr_2n28   1    
     25   .   1   1   10   10   ALA   CA   C   .   .   .   1   1   10   10   ALA   HA   H   .   .   -15.156   .        .        .   .   .   .   .   .   A   .   10   ALA   HA   .   .   A   .   10   ALA   CA   .   .   .   10   .   HA   .   .   .   .   .   10   .   CA   .   .   rr_2n28   1    
     26   .   1   1   11   11   LEU   CA   C   .   .   .   1   1   11   11   LEU   HA   H   .   .   17.714    .        .        .   .   .   .   .   .   A   .   11   LEU   CA   .   .   A   .   11   LEU   HA   .   .   .   11   .   CA   .   .   .   .   .   11   .   HA   .   .   rr_2n28   1    
     27   .   1   1   12   12   VAL   CA   C   .   .   .   1   1   12   12   VAL   HA   H   .   .   6.928     .        .        .   .   .   .   .   .   A   .   12   VAL   CA   .   .   A   .   12   VAL   HA   .   .   .   12   .   CA   .   .   .   .   .   12   .   HA   .   .   rr_2n28   1    
     28   .   1   1   13   13   VAL   CA   C   .   .   .   1   1   13   13   VAL   HA   H   .   .   -12.910   .        .        .   .   .   .   .   .   A   .   13   VAL   CA   .   .   A   .   13   VAL   HA   .   .   .   13   .   CA   .   .   .   .   .   13   .   HA   .   .   rr_2n28   1    
     29   .   1   1   14   14   ALA   CA   C   .   .   .   1   1   14   14   ALA   HA   H   .   .   -14.536   .        .        .   .   .   .   .   .   A   .   14   ALA   HA   .   .   A   .   14   ALA   CA   .   .   .   14   .   HA   .   .   .   .   .   14   .   CA   .   .   rr_2n28   1    
     30   .   1   1   16   16   ILE   CA   C   .   .   .   1   1   16   16   ILE   HA   H   .   .   -18.644   .        .        .   .   .   .   .   .   A   .   16   ILE   CA   .   .   A   .   16   ILE   HA   .   .   .   16   .   CA   .   .   .   .   .   16   .   HA   .   .   rr_2n28   1    
     31   .   1   1   17   17   ILE   CA   C   .   .   .   1   1   17   17   ILE   HA   H   .   .   -16.396   .        .        .   .   .   .   .   .   A   .   17   ILE   CA   .   .   A   .   17   ILE   HA   .   .   .   17   .   CA   .   .   .   .   .   17   .   HA   .   .   rr_2n28   1    
     32   .   1   1   18   18   ALA   CA   C   .   .   .   1   1   18   18   ALA   HA   H   .   .   5.858     .        .        .   .   .   .   .   .   A   .   18   ALA   HA   .   .   A   .   18   ALA   CA   .   .   .   18   .   HA   .   .   .   .   .   18   .   CA   .   .   rr_2n28   1    
     33   .   1   1   19   19   ILE   CA   C   .   .   .   1   1   19   19   ILE   HA   H   .   .   18.334    .        .        .   .   .   .   .   .   A   .   19   ILE   CA   .   .   A   .   19   ILE   HA   .   .   .   19   .   CA   .   .   .   .   .   19   .   HA   .   .   rr_2n28   1    
     34   .   1   1   20   20   VAL   CA   C   .   .   .   1   1   20   20   VAL   HA   H   .   .   -17.094   .        .        .   .   .   .   .   .   A   .   20   VAL   CA   .   .   A   .   20   VAL   HA   .   .   .   20   .   CA   .   .   .   .   .   20   .   HA   .   .   rr_2n28   1    
     35   .   1   1   21   21   VAL   CA   C   .   .   .   1   1   21   21   VAL   HA   H   .   .   -14.576   .        .        .   .   .   .   .   .   A   .   21   VAL   CA   .   .   A   .   21   VAL   HA   .   .   .   21   .   CA   .   .   .   .   .   21   .   HA   .   .   rr_2n28   1    
     36   .   1   1   22   22   TRP   CA   C   .   .   .   1   1   22   22   TRP   HA   H   .   .   15.312    .        .        .   .   .   .   .   .   A   .   22   TRP   CA   .   .   A   .   22   TRP   HA   .   .   .   22   .   CA   .   .   .   .   .   22   .   HA   .   .   rr_2n28   1    
     37   .   1   1   23   23   SER   CA   C   .   .   .   1   1   23   23   SER   HA   H   .   .   -15.020   .        .        .   .   .   .   .   .   A   .   23   SER   HA   .   .   A   .   23   SER   CA   .   .   .   23   .   HA   .   .   .   .   .   23   .   CA   .   .   rr_2n28   1    
     38   .   1   1   24   24   ILE   CA   C   .   .   .   1   1   24   24   ILE   HA   H   .   .   -14.924   .        .        .   .   .   .   .   .   A   .   24   ILE   CA   .   .   A   .   24   ILE   HA   .   .   .   24   .   CA   .   .   .   .   .   24   .   HA   .   .   rr_2n28   1    
     39   .   1   1   25   25   VAL   CA   C   .   .   .   1   1   25   25   VAL   HA   H   .   .   16.862    .        .        .   .   .   .   .   .   A   .   25   VAL   CA   .   .   A   .   25   VAL   HA   .   .   .   25   .   CA   .   .   .   .   .   25   .   HA   .   .   rr_2n28   1    
     40   .   1   1   36   36   ARG   CA   C   .   .   .   1   1   36   36   ARG   HA   H   .   .   15.312    .        .        .   .   .   .   .   .   A   .   36   ARG   CA   .   .   A   .   36   ARG   HA   .   .   .   36   .   CA   .   .   .   .   .   36   .   HA   .   .   rr_2n28   1    
     41   .   1   1   38   38   ILE   CA   C   .   .   .   1   1   38   38   ILE   HA   H   .   .   -19.574   .        .        .   .   .   .   .   .   A   .   38   ILE   CA   .   .   A   .   38   ILE   HA   .   .   .   38   .   CA   .   .   .   .   .   38   .   HA   .   .   rr_2n28   1    
     42   .   1   1   41   41   LEU   CA   C   .   .   .   1   1   41   41   LEU   HA   H   .   .   -2.448    .        .        .   .   .   .   .   .   A   .   41   LEU   CA   .   .   A   .   41   LEU   HA   .   .   .   41   .   CA   .   .   .   .   .   41   .   HA   .   .   rr_2n28   1    
     43   .   1   1   43   43   ASP   CA   C   .   .   .   1   1   43   43   ASP   HA   H   .   .   -13.528   .        .        .   .   .   .   .   .   A   .   43   ASP   CA   .   .   A   .   43   ASP   HA   .   .   .   43   .   CA   .   .   .   .   .   43   .   HA   .   .   rr_2n28   1    
     44   .   1   1   44   44   ARG   CA   C   .   .   .   1   1   44   44   ARG   HA   H   .   .   18.566    .        .        .   .   .   .   .   .   A   .   44   ARG   CA   .   .   A   .   44   ARG   HA   .   .   .   44   .   CA   .   .   .   .   .   44   .   HA   .   .   rr_2n28   1    
     45   .   1   1   45   45   LEU   CA   C   .   .   .   1   1   45   45   LEU   HA   H   .   .   -16.552   .        .        .   .   .   .   .   .   A   .   45   LEU   CA   .   .   A   .   45   LEU   HA   .   .   .   45   .   CA   .   .   .   .   .   45   .   HA   .   .   rr_2n28   1    
     46   .   1   1   46   46   ILE   CA   C   .   .   .   1   1   46   46   ILE   HA   H   .   .   15.388    .        .        .   .   .   .   .   .   A   .   46   ILE   CA   .   .   A   .   46   ILE   HA   .   .   .   46   .   CA   .   .   .   .   .   46   .   HA   .   .   rr_2n28   1    
     47   .   1   1   47   47   GLU   CA   C   .   .   .   1   1   47   47   GLU   HA   H   .   .   -7.252    .        .        .   .   .   .   .   .   A   .   47   GLU   CA   .   .   A   .   47   GLU   HA   .   .   .   47   .   CA   .   .   .   .   .   47   .   HA   .   .   rr_2n28   1    
     48   .   1   1   48   48   ARG   CA   C   .   .   .   1   1   48   48   ARG   HA   H   .   .   9.190     .        .        .   .   .   .   .   .   A   .   48   ARG   CA   .   .   A   .   48   ARG   HA   .   .   .   48   .   CA   .   .   .   .   .   48   .   HA   .   .   rr_2n28   1    
     49   .   1   1   49   49   ALA   CA   C   .   .   .   1   1   49   49   ALA   HA   H   .   .   4.076     .        .        .   .   .   .   .   .   A   .   49   ALA   HA   .   .   A   .   49   ALA   CA   .   .   .   49   .   HA   .   .   .   .   .   49   .   CA   .   .   rr_2n28   1    
     50   .   1   1   60   60   ILE   CA   C   .   .   .   1   1   60   60   ILE   HA   H   .   .   -16.164   .        .        .   .   .   .   .   .   A   .   60   ILE   CA   .   .   A   .   60   ILE   HA   .   .   .   60   .   CA   .   .   .   .   .   60   .   HA   .   .   rr_2n28   1    
     51   .   1   1   61   61   SER   CA   C   .   .   .   1   1   61   61   SER   HA   H   .   .   15.776    .        .        .   .   .   .   .   .   A   .   61   SER   HA   .   .   A   .   61   SER   CA   .   .   .   61   .   HA   .   .   .   .   .   61   .   CA   .   .   rr_2n28   1    
     52   .   1   1   62   62   ALA   CA   C   .   .   .   1   1   62   62   ALA   HA   H   .   .   3.378     .        .        .   .   .   .   .   .   A   .   62   ALA   CA   .   .   A   .   62   ALA   HA   .   .   .   62   .   CA   .   .   .   .   .   62   .   HA   .   .   rr_2n28   1    
     53   .   1   1   63   63   LEU   CA   C   .   .   .   1   1   63   63   LEU   HA   H   .   .   16.008    .        .        .   .   .   .   .   .   A   .   63   LEU   CA   .   .   A   .   63   LEU   HA   .   .   .   63   .   CA   .   .   .   .   .   63   .   HA   .   .   rr_2n28   1    
     54   .   1   1   64   64   VAL   CA   C   .   .   .   1   1   64   64   VAL   HA   H   .   .   17.790    .        .        .   .   .   .   .   .   A   .   64   VAL   CA   .   .   A   .   64   VAL   HA   .   .   .   64   .   CA   .   .   .   .   .   64   .   HA   .   .   rr_2n28   1    
     55   .   1   1   66   66   LEU   CA   C   .   .   .   1   1   66   66   LEU   HA   H   .   .   13.916    .        .        .   .   .   .   .   .   A   .   66   LEU   CA   .   .   A   .   66   LEU   HA   .   .   .   66   .   CA   .   .   .   .   .   66   .   HA   .   .   rr_2n28   1    
     56   .   1   1   69   69   GLU   CA   C   .   .   .   1   1   69   69   GLU   HA   H   .   .   -18.178   .        .        .   .   .   .   .   .   A   .   69   GLU   CA   .   .   A   .   69   GLU   HA   .   .   .   69   .   CA   .   .   .   .   .   69   .   HA   .   .   rr_2n28   1    
     57   .   1   1   70   70   LEU   CA   C   .   .   .   1   1   70   70   LEU   HA   H   .   .   13.374    .        .        .   .   .   .   .   .   A   .   70   LEU   CA   .   .   A   .   70   LEU   HA   .   .   .   70   .   CA   .   .   .   .   .   70   .   HA   .   .   rr_2n28   1    

   stop_

   loop_
      _RDC_constraint_comment_org.ID
      _RDC_constraint_comment_org.Comment_text
      _RDC_constraint_comment_org.Comment_begin_line
      _RDC_constraint_comment_org.Comment_begin_column
      _RDC_constraint_comment_org.Comment_end_line
      _RDC_constraint_comment_org.Comment_end_column
      _RDC_constraint_comment_org.Entry_ID
      _RDC_constraint_comment_org.RDC_constraint_list_ID

     1   'Dipolar Coupling Table for Vpu CH useSign = True'                                                                                                                            162   1   162   56   rr_2n28   1    
     2   
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 40 and name CA )
( resid 40 and name HA ) -14.846 3.00
;
290   1   295   54   rr_2n28   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_2n28
   _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 VIRAL PROTEIN 01-MAY-15 2N28 *TITLE SOLID-STATE NMR STRUCTURE OF VPU *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: PROTEIN VPU; *COMPND 3 CHAIN: A; *COMPND 4 SYNONYM: U ORF PROTEIN, VIRAL PROTEIN U; *COMPND 5 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; *SOURCE 3 ORGANISM_COMMON: HIV-1; *SOURCE 4 ORGANISM_TAXID: 11676; *SOURCE 5 GENE: VPU; *SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; *SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; *SOURCE 8 EXPRESSION_SYSTEM_STRAIN: C41; *SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; *SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET31B+ *KEYWDS ALPHA HELIX, VIRAL PROTEIN *EXPDTA SOLID-STATE NMR *NUMMDL 1 *AUTHOR H.ZHANG, E.C.LIN, Y.TIAN, B.B.DAS, S.J.OPELLA *REVDAT 1 30-SEP-15 2N28 0 ATOM 1323 PA1 ANI B5000 -90.464-239.829 13.352 1.00 0.00 ATOM 1324 PA2 ANI B5000 -90.969-238.874 14.265 1.00 0.00 ATOM 1325 OO ANI B5000 -90.522-238.830 13.372 1.00 0.00 ATOM 1326 OO2 ANI B5000 -90.522-238.830 13.372 1.00 0.00 ATOM 1327 X ANI B5000 -91.392-239.044 12.926 1.00 0.00 ATOM 1328 Y ANI B5000 -90.311-239.805 13.429 1.00 0.00 ATOM 1329 Z ANI B5000 -90.969-238.874 14.265 1.00 0.00'

save_
