data_wwPDB_remediated_restraints_file_for_PDB_entry_6ijv

# This wwPDB archive file contains, for PDB entry 6ijv:
#
# - 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_6ijv
   _Entry.Title                        'wwPDB remediated NMR restraints for PDB entry 6ijv'
   _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 6ijv'
   _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   6ijv   'Master copy'   rr_6ijv    

   stop_

save_

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

save_assembly
   _Assembly.Sf_category           assembly
   _Assembly.Sf_framecode          assembly
   _Assembly.Entry_ID              rr_6ijv
   _Assembly.ID                    1
   _Assembly.Name                  6ijv
   _Assembly.Number_of_components  3
   _Assembly.Organic_ligands       1
   _Assembly.Metal_ions            0
   _Assembly.Non_standard_bonds    no
   _Assembly.Paramagnetic          no
   _Assembly.Thiol_state           'not present'
   _Assembly.Molecular_mass        9107.00978

   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   'DNA 5 D CP GP CP GP AP AP AP TP TP TP CP GP CP G 3'             1   $DNA__5__D__CP_GP_CP_GP_AP_AP_AP_TP_TP_TP_CP_GP_CP_G__3__            A   .   no   .   .   .   .   .   .   rr_6ijv   1    
     2   'DNA 5 D CP GP CP GP AP AP AP TP TP TP CP GP CP G 3'             1   $DNA__5__D__CP_GP_CP_GP_AP_AP_AP_TP_TP_TP_CP_GP_CP_G__3__            B   .   no   .   .   .   .   .   .   rr_6ijv   1    
     3   '2 2 4 hydroxy 1 3 phenylene di E ethene 2 1 diyl bis 3 methy'   2   $2_2____4_hydroxy_1_3_phenylene_di__E_ethene_2_1_diyl__bis_3_methy   C   .   no   .   .   .   .   .   .   rr_6ijv   1    

   stop_

save_

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

save_DNA__5__D__CP_GP_CP_GP_AP_AP_AP_TP_TP_TP_CP_GP_CP_G__3__
   _Entity.Sf_category                      entity
   _Entity.Sf_framecode                     DNA__5__D__CP_GP_CP_GP_AP_AP_AP_TP_TP_TP_CP_GP_CP_G__3__
   _Entity.Entry_ID                         rr_6ijv
   _Entity.ID                               1
   _Entity.Name                             DNA__5__D__CP_GP_CP_GP_AP_AP_AP_TP_TP_TP_CP_GP_CP_G__3__
   _Entity.Type                             polymer
   _Entity.Polymer_type                     polydeoxyribonucleotide
   _Entity.Polymer_strand_ID                A,B
   _Entity.Polymer_seq_one_letter_code      CGCGAAATTTCGCG
   _Entity.Ambiguous_conformational_states  no
   _Entity.Ambiguous_chem_comp_sites        no
   _Entity.Nstd_monomer                     no
   _Entity.Nstd_chirality                   yes
   _Entity.Nstd_linkage                     no
   _Entity.Number_of_monomers               14
   _Entity.Paramagnetic                     no
   _Entity.Thiol_state                      'not present'
   _Entity.Parent_entity_ID                 1
   _Entity.Formula_weight                   4332.71254

   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    .   DC   .   rr_6ijv   1    
     2    .   DG   .   rr_6ijv   1    
     3    .   DC   .   rr_6ijv   1    
     4    .   DG   .   rr_6ijv   1    
     5    .   DA   .   rr_6ijv   1    
     6    .   DA   .   rr_6ijv   1    
     7    .   DA   .   rr_6ijv   1    
     8    .   DT   .   rr_6ijv   1    
     9    .   DT   .   rr_6ijv   1    
     10   .   DT   .   rr_6ijv   1    
     11   .   DC   .   rr_6ijv   1    
     12   .   DG   .   rr_6ijv   1    
     13   .   DC   .   rr_6ijv   1    
     14   .   DG   .   rr_6ijv   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

     .   DC   1    1    rr_6ijv   1    
     .   DG   2    2    rr_6ijv   1    
     .   DC   3    3    rr_6ijv   1    
     .   DG   4    4    rr_6ijv   1    
     .   DA   5    5    rr_6ijv   1    
     .   DA   6    6    rr_6ijv   1    
     .   DA   7    7    rr_6ijv   1    
     .   DT   8    8    rr_6ijv   1    
     .   DT   9    9    rr_6ijv   1    
     .   DT   10   10   rr_6ijv   1    
     .   DC   11   11   rr_6ijv   1    
     .   DG   12   12   rr_6ijv   1    
     .   DC   13   13   rr_6ijv   1    
     .   DG   14   14   rr_6ijv   1    

   stop_

save_

save_2_2____4_hydroxy_1_3_phenylene_di__E_ethene_2_1_diyl__bis_3_methy
   _Entity.Sf_category                      entity
   _Entity.Sf_framecode                     2_2____4_hydroxy_1_3_phenylene_di__E_ethene_2_1_diyl__bis_3_methy
   _Entity.Entry_ID                         rr_6ijv
   _Entity.ID                               2
   _Entity.Name                             2_2____4_hydroxy_1_3_phenylene_di__E_ethene_2_1_diyl__bis_3_methy
   _Entity.Type                             non-polymer
   _Entity.Ambiguous_conformational_states  no
   _Entity.Ambiguous_chem_comp_sites        no
   _Entity.Nstd_chirality                   yes
   _Entity.Nstd_linkage                     no
   _Entity.Number_of_monomers               1
   _Entity.Paramagnetic                     no
   _Entity.Thiol_state                      'not present'
   _Entity.Parent_entity_ID                 2

   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   .   .   .   rr_6ijv   2    

   stop_

save_

    #################################
    #  Polymer residues and ligands #
    #################################

save_chem_comp_QCY
   _Chem_comp.Sf_category     chem_comp
   _Chem_comp.Sf_framecode    chem_comp_QCY
   _Chem_comp.Entry_ID        rr_6ijv
   _Chem_comp.ID              1
   _Chem_comp.Name            Qcy
   _Chem_comp.Type            non-polymer
   _Chem_comp.Formal_charge   0
   _Chem_comp.Paramagnetic    no
   _Chem_comp.Aromatic        no
   _Chem_comp.Formula         'C26 H21 N2 O S2'
   _Chem_comp.Formula_weight  441.5847

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_6ijv
   _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  4

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_6ijv
   _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   6ijv.mr   .   .   'MR format'   1   comment                  'Not applicable'   'Not applicable'   0     rr_6ijv   1    
     1   6ijv.mr   .   .   STAR          2   distance                 NOE                simple             0     rr_6ijv   1    
     1   6ijv.mr   .   .   DYANA/DIANA   3   'dihedral angle'         'Not applicable'   'Not applicable'   166   rr_6ijv   1    
     1   6ijv.mr   .   .   'MR format'   4   'nomenclature mapping'   'Not applicable'   'Not applicable'   0     rr_6ijv   1    

   stop_

save_

save_DYANA/DIANA_dihedral_3
   _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints
   _Torsion_angle_constraint_list.Sf_framecode        DYANA/DIANA_dihedral_3
   _Torsion_angle_constraint_list.Entry_ID            rr_6ijv
   _Torsion_angle_constraint_list.ID                  1
   _Torsion_angle_constraint_list.Details             'Generated by Wattos'
   _Torsion_angle_constraint_list.Constraint_file_ID  1
   _Torsion_angle_constraint_list.Block_ID            3

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

     .   .   .   .   rr_6ijv   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   'Restraints file 2: N1_QC.aco'   1   1   1   30   rr_6ijv   1    

   stop_

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

     1     3   1     1   "Not handling restraint 1, resonance(s) ' .1.O5'' (nmrStar names),' .1.C5'' (nmrStar names),' .1.C4'' (nmrStar names),' .1.C3'' (nmrStar names) not linked"         rr_6ijv   1    
     2     3   2     1   "Not handling restraint 2, resonance(s) ' .1.C5'' (nmrStar names),' .1.C4'' (nmrStar names),' .1.C3'' (nmrStar names),' .1.O3'' (nmrStar names) not linked"         rr_6ijv   1    
     3     3   3     1   "Not handling restraint 3, resonance(s) ' .1.C4'' (nmrStar names),' .1.C3'' (nmrStar names),' .1.O3'' (nmrStar names),' .2.P' (nmrStar names) not linked"           rr_6ijv   1    
     4     3   4     1   "Not handling restraint 4, resonance(s) ' .1.O4'' (nmrStar names),' .1.C1'' (nmrStar names),' .1.N1' (nmrStar names),' .1.C2' (nmrStar names) not linked"           rr_6ijv   1    
     5     3   5     1   "Not handling restraint 5, resonance(s) ' .1.O3'' (nmrStar names),' .2.P' (nmrStar names),' .2.O5'' (nmrStar names),' .2.C5'' (nmrStar names) not linked"           rr_6ijv   1    
     6     3   6     1   "Not handling restraint 6, resonance(s) ' .2.P' (nmrStar names),' .2.O5'' (nmrStar names),' .2.C5'' (nmrStar names),' .2.C4'' (nmrStar names) not linked"           rr_6ijv   1    
     7     3   7     1   "Not handling restraint 7, resonance(s) ' .2.O5'' (nmrStar names),' .2.C5'' (nmrStar names),' .2.C4'' (nmrStar names),' .2.C3'' (nmrStar names) not linked"         rr_6ijv   1    
     8     3   8     1   "Not handling restraint 8, resonance(s) ' .2.C5'' (nmrStar names),' .2.C4'' (nmrStar names),' .2.C3'' (nmrStar names),' .2.O3'' (nmrStar names) not linked"         rr_6ijv   1    
     9     3   9     1   "Not handling restraint 9, resonance(s) ' .2.C4'' (nmrStar names),' .2.C3'' (nmrStar names),' .2.O3'' (nmrStar names),' .3.P' (nmrStar names) not linked"           rr_6ijv   1    
     10    3   10    1   "Not handling restraint 10, resonance(s) ' .2.O4'' (nmrStar names),' .2.C1'' (nmrStar names),' .2.N9' (nmrStar names),' .2.C4' (nmrStar names) not linked"          rr_6ijv   1    
     11    3   11    1   "Not handling restraint 11, resonance(s) ' .2.O3'' (nmrStar names),' .3.P' (nmrStar names),' .3.O5'' (nmrStar names),' .3.C5'' (nmrStar names) not linked"          rr_6ijv   1    
     12    3   12    1   "Not handling restraint 12, resonance(s) ' .3.P' (nmrStar names),' .3.O5'' (nmrStar names),' .3.C5'' (nmrStar names),' .3.C4'' (nmrStar names) not linked"          rr_6ijv   1    
     13    3   13    1   "Not handling restraint 13, resonance(s) ' .3.O5'' (nmrStar names),' .3.C5'' (nmrStar names),' .3.C4'' (nmrStar names),' .3.C3'' (nmrStar names) not linked"        rr_6ijv   1    
     14    3   14    1   "Not handling restraint 14, resonance(s) ' .3.C5'' (nmrStar names),' .3.C4'' (nmrStar names),' .3.C3'' (nmrStar names),' .3.O3'' (nmrStar names) not linked"        rr_6ijv   1    
     15    3   15    1   "Not handling restraint 15, resonance(s) ' .3.C4'' (nmrStar names),' .3.C3'' (nmrStar names),' .3.O3'' (nmrStar names),' .4.P' (nmrStar names) not linked"          rr_6ijv   1    
     16    3   16    1   "Not handling restraint 16, resonance(s) ' .3.O4'' (nmrStar names),' .3.C1'' (nmrStar names),' .3.N1' (nmrStar names),' .3.C2' (nmrStar names) not linked"          rr_6ijv   1    
     17    3   17    1   "Not handling restraint 17, resonance(s) ' .3.O3'' (nmrStar names),' .4.P' (nmrStar names),' .4.O5'' (nmrStar names),' .4.C5'' (nmrStar names) not linked"          rr_6ijv   1    
     18    3   18    1   "Not handling restraint 18, resonance(s) ' .4.P' (nmrStar names),' .4.O5'' (nmrStar names),' .4.C5'' (nmrStar names),' .4.C4'' (nmrStar names) not linked"          rr_6ijv   1    
     19    3   19    1   "Not handling restraint 19, resonance(s) ' .4.O5'' (nmrStar names),' .4.C5'' (nmrStar names),' .4.C4'' (nmrStar names),' .4.C3'' (nmrStar names) not linked"        rr_6ijv   1    
     20    3   20    1   "Not handling restraint 20, resonance(s) ' .4.C5'' (nmrStar names),' .4.C4'' (nmrStar names),' .4.C3'' (nmrStar names),' .4.O3'' (nmrStar names) not linked"        rr_6ijv   1    
     21    3   21    1   "Not handling restraint 21, resonance(s) ' .4.C4'' (nmrStar names),' .4.C3'' (nmrStar names),' .4.O3'' (nmrStar names),' .5.P' (nmrStar names) not linked"          rr_6ijv   1    
     22    3   22    1   "Not handling restraint 22, resonance(s) ' .4.O4'' (nmrStar names),' .4.C1'' (nmrStar names),' .4.N9' (nmrStar names),' .4.C4' (nmrStar names) not linked"          rr_6ijv   1    
     23    3   23    1   "Not handling restraint 23, resonance(s) ' .4.O3'' (nmrStar names),' .5.P' (nmrStar names),' .5.O5'' (nmrStar names),' .5.C5'' (nmrStar names) not linked"          rr_6ijv   1    
     24    3   24    1   "Not handling restraint 24, resonance(s) ' .5.P' (nmrStar names),' .5.O5'' (nmrStar names),' .5.C5'' (nmrStar names),' .5.C4'' (nmrStar names) not linked"          rr_6ijv   1    
     25    3   25    1   "Not handling restraint 25, resonance(s) ' .5.O5'' (nmrStar names),' .5.C5'' (nmrStar names),' .5.C4'' (nmrStar names),' .5.C3'' (nmrStar names) not linked"        rr_6ijv   1    
     26    3   26    1   "Not handling restraint 26, resonance(s) ' .5.C5'' (nmrStar names),' .5.C4'' (nmrStar names),' .5.C3'' (nmrStar names),' .5.O3'' (nmrStar names) not linked"        rr_6ijv   1    
     27    3   27    1   "Not handling restraint 27, resonance(s) ' .5.C4'' (nmrStar names),' .5.C3'' (nmrStar names),' .5.O3'' (nmrStar names),' .6.P' (nmrStar names) not linked"          rr_6ijv   1    
     28    3   28    1   "Not handling restraint 28, resonance(s) ' .5.O4'' (nmrStar names),' .5.C1'' (nmrStar names),' .5.N9' (nmrStar names),' .5.C4' (nmrStar names) not linked"          rr_6ijv   1    
     29    3   29    1   "Not handling restraint 29, resonance(s) ' .5.O3'' (nmrStar names),' .6.P' (nmrStar names),' .6.O5'' (nmrStar names),' .6.C5'' (nmrStar names) not linked"          rr_6ijv   1    
     30    3   30    1   "Not handling restraint 30, resonance(s) ' .6.P' (nmrStar names),' .6.O5'' (nmrStar names),' .6.C5'' (nmrStar names),' .6.C4'' (nmrStar names) not linked"          rr_6ijv   1    
     31    3   31    1   "Not handling restraint 31, resonance(s) ' .6.O5'' (nmrStar names),' .6.C5'' (nmrStar names),' .6.C4'' (nmrStar names),' .6.C3'' (nmrStar names) not linked"        rr_6ijv   1    
     32    3   32    1   "Not handling restraint 32, resonance(s) ' .6.C5'' (nmrStar names),' .6.C4'' (nmrStar names),' .6.C3'' (nmrStar names),' .6.O3'' (nmrStar names) not linked"        rr_6ijv   1    
     33    3   33    1   "Not handling restraint 33, resonance(s) ' .6.C4'' (nmrStar names),' .6.C3'' (nmrStar names),' .6.O3'' (nmrStar names),' .7.P' (nmrStar names) not linked"          rr_6ijv   1    
     34    3   34    1   "Not handling restraint 34, resonance(s) ' .6.O4'' (nmrStar names),' .6.C1'' (nmrStar names),' .6.N9' (nmrStar names),' .6.C4' (nmrStar names) not linked"          rr_6ijv   1    
     35    3   35    1   "Not handling restraint 35, resonance(s) ' .6.O3'' (nmrStar names),' .7.P' (nmrStar names),' .7.O5'' (nmrStar names),' .7.C5'' (nmrStar names) not linked"          rr_6ijv   1    
     36    3   36    1   "Not handling restraint 36, resonance(s) ' .7.P' (nmrStar names),' .7.O5'' (nmrStar names),' .7.C5'' (nmrStar names),' .7.C4'' (nmrStar names) not linked"          rr_6ijv   1    
     37    3   37    1   "Not handling restraint 37, resonance(s) ' .7.O5'' (nmrStar names),' .7.C5'' (nmrStar names),' .7.C4'' (nmrStar names),' .7.C3'' (nmrStar names) not linked"        rr_6ijv   1    
     38    3   38    1   "Not handling restraint 38, resonance(s) ' .7.C5'' (nmrStar names),' .7.C4'' (nmrStar names),' .7.C3'' (nmrStar names),' .7.O3'' (nmrStar names) not linked"        rr_6ijv   1    
     39    3   39    1   "Not handling restraint 39, resonance(s) ' .7.C4'' (nmrStar names),' .7.C3'' (nmrStar names),' .7.O3'' (nmrStar names),' .8.P' (nmrStar names) not linked"          rr_6ijv   1    
     40    3   40    1   "Not handling restraint 40, resonance(s) ' .7.O4'' (nmrStar names),' .7.C1'' (nmrStar names),' .7.N9' (nmrStar names),' .7.C4' (nmrStar names) not linked"          rr_6ijv   1    
     41    3   41    1   "Not handling restraint 41, resonance(s) ' .7.O3'' (nmrStar names),' .8.P' (nmrStar names),' .8.O5'' (nmrStar names),' .8.C5'' (nmrStar names) not linked"          rr_6ijv   1    
     42    3   42    1   "Not handling restraint 42, resonance(s) ' .8.P' (nmrStar names),' .8.O5'' (nmrStar names),' .8.C5'' (nmrStar names),' .8.C4'' (nmrStar names) not linked"          rr_6ijv   1    
     43    3   43    1   "Not handling restraint 43, resonance(s) ' .8.O5'' (nmrStar names),' .8.C5'' (nmrStar names),' .8.C4'' (nmrStar names),' .8.C3'' (nmrStar names) not linked"        rr_6ijv   1    
     44    3   44    1   "Not handling restraint 44, resonance(s) ' .8.C5'' (nmrStar names),' .8.C4'' (nmrStar names),' .8.C3'' (nmrStar names),' .8.O3'' (nmrStar names) not linked"        rr_6ijv   1    
     45    3   45    1   "Not handling restraint 45, resonance(s) ' .8.C4'' (nmrStar names),' .8.C3'' (nmrStar names),' .8.O3'' (nmrStar names),' .9.P' (nmrStar names) not linked"          rr_6ijv   1    
     46    3   46    1   "Not handling restraint 46, resonance(s) ' .8.O4'' (nmrStar names),' .8.C1'' (nmrStar names),' .8.N1' (nmrStar names),' .8.C2' (nmrStar names) not linked"          rr_6ijv   1    
     47    3   47    1   "Not handling restraint 47, resonance(s) ' .8.O3'' (nmrStar names),' .9.P' (nmrStar names),' .9.O5'' (nmrStar names),' .9.C5'' (nmrStar names) not linked"          rr_6ijv   1    
     48    3   48    1   "Not handling restraint 48, resonance(s) ' .9.P' (nmrStar names),' .9.O5'' (nmrStar names),' .9.C5'' (nmrStar names),' .9.C4'' (nmrStar names) not linked"          rr_6ijv   1    
     49    3   49    1   "Not handling restraint 49, resonance(s) ' .9.O5'' (nmrStar names),' .9.C5'' (nmrStar names),' .9.C4'' (nmrStar names),' .9.C3'' (nmrStar names) not linked"        rr_6ijv   1    
     50    3   50    1   "Not handling restraint 50, resonance(s) ' .9.C5'' (nmrStar names),' .9.C4'' (nmrStar names),' .9.C3'' (nmrStar names),' .9.O3'' (nmrStar names) not linked"        rr_6ijv   1    
     51    3   51    1   "Not handling restraint 51, resonance(s) ' .9.C4'' (nmrStar names),' .9.C3'' (nmrStar names),' .9.O3'' (nmrStar names),' .10.P' (nmrStar names) not linked"         rr_6ijv   1    
     52    3   52    1   "Not handling restraint 52, resonance(s) ' .9.O4'' (nmrStar names),' .9.C1'' (nmrStar names),' .9.N1' (nmrStar names),' .9.C2' (nmrStar names) not linked"          rr_6ijv   1    
     53    3   53    1   "Not handling restraint 53, resonance(s) ' .9.O3'' (nmrStar names),' .10.P' (nmrStar names),' .10.O5'' (nmrStar names),' .10.C5'' (nmrStar names) not linked"       rr_6ijv   1    
     54    3   54    1   "Not handling restraint 54, resonance(s) ' .10.P' (nmrStar names),' .10.O5'' (nmrStar names),' .10.C5'' (nmrStar names),' .10.C4'' (nmrStar names) not linked"      rr_6ijv   1    
     55    3   55    1   "Not handling restraint 55, resonance(s) ' .10.O5'' (nmrStar names),' .10.C5'' (nmrStar names),' .10.C4'' (nmrStar names),' .10.C3'' (nmrStar names) not linked"    rr_6ijv   1    
     56    3   56    1   "Not handling restraint 56, resonance(s) ' .10.C5'' (nmrStar names),' .10.C4'' (nmrStar names),' .10.C3'' (nmrStar names),' .10.O3'' (nmrStar names) not linked"    rr_6ijv   1    
     57    3   57    1   "Not handling restraint 57, resonance(s) ' .10.C4'' (nmrStar names),' .10.C3'' (nmrStar names),' .10.O3'' (nmrStar names),' .11.P' (nmrStar names) not linked"      rr_6ijv   1    
     58    3   58    1   "Not handling restraint 58, resonance(s) ' .10.O4'' (nmrStar names),' .10.C1'' (nmrStar names),' .10.N1' (nmrStar names),' .10.C2' (nmrStar names) not linked"      rr_6ijv   1    
     59    3   59    1   "Not handling restraint 59, resonance(s) ' .10.O3'' (nmrStar names),' .11.P' (nmrStar names),' .11.O5'' (nmrStar names),' .11.C5'' (nmrStar names) not linked"      rr_6ijv   1    
     60    3   60    1   "Not handling restraint 60, resonance(s) ' .11.P' (nmrStar names),' .11.O5'' (nmrStar names),' .11.C5'' (nmrStar names),' .11.C4'' (nmrStar names) not linked"      rr_6ijv   1    
     61    3   61    1   "Not handling restraint 61, resonance(s) ' .11.O5'' (nmrStar names),' .11.C5'' (nmrStar names),' .11.C4'' (nmrStar names),' .11.C3'' (nmrStar names) not linked"    rr_6ijv   1    
     62    3   62    1   "Not handling restraint 62, resonance(s) ' .11.C5'' (nmrStar names),' .11.C4'' (nmrStar names),' .11.C3'' (nmrStar names),' .11.O3'' (nmrStar names) not linked"    rr_6ijv   1    
     63    3   63    1   "Not handling restraint 63, resonance(s) ' .11.C4'' (nmrStar names),' .11.C3'' (nmrStar names),' .11.O3'' (nmrStar names),' .12.P' (nmrStar names) not linked"      rr_6ijv   1    
     64    3   64    1   "Not handling restraint 64, resonance(s) ' .11.O4'' (nmrStar names),' .11.C1'' (nmrStar names),' .11.N1' (nmrStar names),' .11.C2' (nmrStar names) not linked"      rr_6ijv   1    
     65    3   65    1   "Not handling restraint 65, resonance(s) ' .11.O3'' (nmrStar names),' .12.P' (nmrStar names),' .12.O5'' (nmrStar names),' .12.C5'' (nmrStar names) not linked"      rr_6ijv   1    
     66    3   66    1   "Not handling restraint 66, resonance(s) ' .12.P' (nmrStar names),' .12.O5'' (nmrStar names),' .12.C5'' (nmrStar names),' .12.C4'' (nmrStar names) not linked"      rr_6ijv   1    
     67    3   67    1   "Not handling restraint 67, resonance(s) ' .12.O5'' (nmrStar names),' .12.C5'' (nmrStar names),' .12.C4'' (nmrStar names),' .12.C3'' (nmrStar names) not linked"    rr_6ijv   1    
     68    3   68    1   "Not handling restraint 68, resonance(s) ' .12.C5'' (nmrStar names),' .12.C4'' (nmrStar names),' .12.C3'' (nmrStar names),' .12.O3'' (nmrStar names) not linked"    rr_6ijv   1    
     69    3   69    1   "Not handling restraint 69, resonance(s) ' .12.C4'' (nmrStar names),' .12.C3'' (nmrStar names),' .12.O3'' (nmrStar names),' .13.P' (nmrStar names) not linked"      rr_6ijv   1    
     70    3   70    1   "Not handling restraint 70, resonance(s) ' .12.O4'' (nmrStar names),' .12.C1'' (nmrStar names),' .12.N9' (nmrStar names),' .12.C4' (nmrStar names) not linked"      rr_6ijv   1    
     71    3   71    1   "Not handling restraint 71, resonance(s) ' .12.O3'' (nmrStar names),' .13.P' (nmrStar names),' .13.O5'' (nmrStar names),' .13.C5'' (nmrStar names) not linked"      rr_6ijv   1    
     72    3   72    1   "Not handling restraint 72, resonance(s) ' .13.P' (nmrStar names),' .13.O5'' (nmrStar names),' .13.C5'' (nmrStar names),' .13.C4'' (nmrStar names) not linked"      rr_6ijv   1    
     73    3   73    1   "Not handling restraint 73, resonance(s) ' .13.O5'' (nmrStar names),' .13.C5'' (nmrStar names),' .13.C4'' (nmrStar names),' .13.C3'' (nmrStar names) not linked"    rr_6ijv   1    
     74    3   74    1   "Not handling restraint 74, resonance(s) ' .13.C5'' (nmrStar names),' .13.C4'' (nmrStar names),' .13.C3'' (nmrStar names),' .13.O3'' (nmrStar names) not linked"    rr_6ijv   1    
     75    3   75    1   "Not handling restraint 75, resonance(s) ' .13.C4'' (nmrStar names),' .13.C3'' (nmrStar names),' .13.O3'' (nmrStar names),' .14.P' (nmrStar names) not linked"      rr_6ijv   1    
     76    3   76    1   "Not handling restraint 76, resonance(s) ' .13.O4'' (nmrStar names),' .13.C1'' (nmrStar names),' .13.N1' (nmrStar names),' .13.C2' (nmrStar names) not linked"      rr_6ijv   1    
     77    3   77    1   "Not handling restraint 77, resonance(s) ' .14.P' (nmrStar names),' .14.O5'' (nmrStar names),' .14.C5'' (nmrStar names),' .14.C4'' (nmrStar names) not linked"      rr_6ijv   1    
     78    3   78    1   "Not handling restraint 78, resonance(s) ' .14.O5'' (nmrStar names),' .14.C5'' (nmrStar names),' .14.C4'' (nmrStar names),' .14.C3'' (nmrStar names) not linked"    rr_6ijv   1    
     79    3   79    1   "Not handling restraint 79, resonance(s) ' .14.C5'' (nmrStar names),' .14.C4'' (nmrStar names),' .14.C3'' (nmrStar names),' .14.O3'' (nmrStar names) not linked"    rr_6ijv   1    
     80    3   80    1   "Not handling restraint 80, resonance(s) ' .14.O4'' (nmrStar names),' .14.C1'' (nmrStar names),' .14.N9' (nmrStar names),' .14.C4' (nmrStar names) not linked"      rr_6ijv   1    
     81    3   81    1   "Not handling restraint 81, resonance(s) ' .15.O5'' (nmrStar names),' .15.C5'' (nmrStar names),' .15.C4'' (nmrStar names),' .15.C3'' (nmrStar names) not linked"    rr_6ijv   1    
     82    3   82    1   "Not handling restraint 82, resonance(s) ' .15.C5'' (nmrStar names),' .15.C4'' (nmrStar names),' .15.C3'' (nmrStar names),' .15.O3'' (nmrStar names) not linked"    rr_6ijv   1    
     83    3   83    1   "Not handling restraint 83, resonance(s) ' .15.C4'' (nmrStar names),' .15.C3'' (nmrStar names),' .15.O3'' (nmrStar names),' .16.P' (nmrStar names) not linked"      rr_6ijv   1    
     84    3   84    1   "Not handling restraint 84, resonance(s) ' .15.O4'' (nmrStar names),' .15.C1'' (nmrStar names),' .15.N1' (nmrStar names),' .15.C2' (nmrStar names) not linked"      rr_6ijv   1    
     85    3   85    1   "Not handling restraint 85, resonance(s) ' .15.O3'' (nmrStar names),' .16.P' (nmrStar names),' .16.O5'' (nmrStar names),' .16.C5'' (nmrStar names) not linked"      rr_6ijv   1    
     86    3   86    1   "Not handling restraint 86, resonance(s) ' .16.P' (nmrStar names),' .16.O5'' (nmrStar names),' .16.C5'' (nmrStar names),' .16.C4'' (nmrStar names) not linked"      rr_6ijv   1    
     87    3   87    1   "Not handling restraint 87, resonance(s) ' .16.O5'' (nmrStar names),' .16.C5'' (nmrStar names),' .16.C4'' (nmrStar names),' .16.C3'' (nmrStar names) not linked"    rr_6ijv   1    
     88    3   88    1   "Not handling restraint 88, resonance(s) ' .16.C5'' (nmrStar names),' .16.C4'' (nmrStar names),' .16.C3'' (nmrStar names),' .16.O3'' (nmrStar names) not linked"    rr_6ijv   1    
     89    3   89    1   "Not handling restraint 89, resonance(s) ' .16.C4'' (nmrStar names),' .16.C3'' (nmrStar names),' .16.O3'' (nmrStar names),' .17.P' (nmrStar names) not linked"      rr_6ijv   1    
     90    3   90    1   "Not handling restraint 90, resonance(s) ' .16.O4'' (nmrStar names),' .16.C1'' (nmrStar names),' .16.N9' (nmrStar names),' .16.C4' (nmrStar names) not linked"      rr_6ijv   1    
     91    3   91    1   "Not handling restraint 91, resonance(s) ' .16.O3'' (nmrStar names),' .17.P' (nmrStar names),' .17.O5'' (nmrStar names),' .17.C5'' (nmrStar names) not linked"      rr_6ijv   1    
     92    3   92    1   "Not handling restraint 92, resonance(s) ' .17.P' (nmrStar names),' .17.O5'' (nmrStar names),' .17.C5'' (nmrStar names),' .17.C4'' (nmrStar names) not linked"      rr_6ijv   1    
     93    3   93    1   "Not handling restraint 93, resonance(s) ' .17.O5'' (nmrStar names),' .17.C5'' (nmrStar names),' .17.C4'' (nmrStar names),' .17.C3'' (nmrStar names) not linked"    rr_6ijv   1    
     94    3   94    1   "Not handling restraint 94, resonance(s) ' .17.C5'' (nmrStar names),' .17.C4'' (nmrStar names),' .17.C3'' (nmrStar names),' .17.O3'' (nmrStar names) not linked"    rr_6ijv   1    
     95    3   95    1   "Not handling restraint 95, resonance(s) ' .17.C4'' (nmrStar names),' .17.C3'' (nmrStar names),' .17.O3'' (nmrStar names),' .18.P' (nmrStar names) not linked"      rr_6ijv   1    
     96    3   96    1   "Not handling restraint 96, resonance(s) ' .17.O4'' (nmrStar names),' .17.C1'' (nmrStar names),' .17.N1' (nmrStar names),' .17.C2' (nmrStar names) not linked"      rr_6ijv   1    
     97    3   97    1   "Not handling restraint 97, resonance(s) ' .17.O3'' (nmrStar names),' .18.P' (nmrStar names),' .18.O5'' (nmrStar names),' .18.C5'' (nmrStar names) not linked"      rr_6ijv   1    
     98    3   98    1   "Not handling restraint 98, resonance(s) ' .18.P' (nmrStar names),' .18.O5'' (nmrStar names),' .18.C5'' (nmrStar names),' .18.C4'' (nmrStar names) not linked"      rr_6ijv   1    
     99    3   99    1   "Not handling restraint 99, resonance(s) ' .18.O5'' (nmrStar names),' .18.C5'' (nmrStar names),' .18.C4'' (nmrStar names),' .18.C3'' (nmrStar names) not linked"    rr_6ijv   1    
     100   3   100   1   "Not handling restraint 100, resonance(s) ' .18.C5'' (nmrStar names),' .18.C4'' (nmrStar names),' .18.C3'' (nmrStar names),' .18.O3'' (nmrStar names) not linked"   rr_6ijv   1    
     101   3   101   1   "Not handling restraint 101, resonance(s) ' .18.C4'' (nmrStar names),' .18.C3'' (nmrStar names),' .18.O3'' (nmrStar names),' .19.P' (nmrStar names) not linked"     rr_6ijv   1    
     102   3   102   1   "Not handling restraint 102, resonance(s) ' .18.O4'' (nmrStar names),' .18.C1'' (nmrStar names),' .18.N9' (nmrStar names),' .18.C4' (nmrStar names) not linked"     rr_6ijv   1    
     103   3   103   1   "Not handling restraint 103, resonance(s) ' .18.O3'' (nmrStar names),' .19.P' (nmrStar names),' .19.O5'' (nmrStar names),' .19.C5'' (nmrStar names) not linked"     rr_6ijv   1    
     104   3   104   1   "Not handling restraint 104, resonance(s) ' .19.P' (nmrStar names),' .19.O5'' (nmrStar names),' .19.C5'' (nmrStar names),' .19.C4'' (nmrStar names) not linked"     rr_6ijv   1    
     105   3   105   1   "Not handling restraint 105, resonance(s) ' .19.O5'' (nmrStar names),' .19.C5'' (nmrStar names),' .19.C4'' (nmrStar names),' .19.C3'' (nmrStar names) not linked"   rr_6ijv   1    
     106   3   106   1   "Not handling restraint 106, resonance(s) ' .19.C5'' (nmrStar names),' .19.C4'' (nmrStar names),' .19.C3'' (nmrStar names),' .19.O3'' (nmrStar names) not linked"   rr_6ijv   1    
     107   3   107   1   "Not handling restraint 107, resonance(s) ' .19.C4'' (nmrStar names),' .19.C3'' (nmrStar names),' .19.O3'' (nmrStar names),' .20.P' (nmrStar names) not linked"     rr_6ijv   1    
     108   3   108   1   "Not handling restraint 108, resonance(s) ' .19.O4'' (nmrStar names),' .19.C1'' (nmrStar names),' .19.N9' (nmrStar names),' .19.C4' (nmrStar names) not linked"     rr_6ijv   1    
     109   3   109   1   "Not handling restraint 109, resonance(s) ' .19.O3'' (nmrStar names),' .20.P' (nmrStar names),' .20.O5'' (nmrStar names),' .20.C5'' (nmrStar names) not linked"     rr_6ijv   1    
     110   3   110   1   "Not handling restraint 110, resonance(s) ' .20.P' (nmrStar names),' .20.O5'' (nmrStar names),' .20.C5'' (nmrStar names),' .20.C4'' (nmrStar names) not linked"     rr_6ijv   1    
     111   3   111   1   "Not handling restraint 111, resonance(s) ' .20.O5'' (nmrStar names),' .20.C5'' (nmrStar names),' .20.C4'' (nmrStar names),' .20.C3'' (nmrStar names) not linked"   rr_6ijv   1    
     112   3   112   1   "Not handling restraint 112, resonance(s) ' .20.C5'' (nmrStar names),' .20.C4'' (nmrStar names),' .20.C3'' (nmrStar names),' .20.O3'' (nmrStar names) not linked"   rr_6ijv   1    
     113   3   113   1   "Not handling restraint 113, resonance(s) ' .20.C4'' (nmrStar names),' .20.C3'' (nmrStar names),' .20.O3'' (nmrStar names),' .21.P' (nmrStar names) not linked"     rr_6ijv   1    
     114   3   114   1   "Not handling restraint 114, resonance(s) ' .20.O4'' (nmrStar names),' .20.C1'' (nmrStar names),' .20.N9' (nmrStar names),' .20.C4' (nmrStar names) not linked"     rr_6ijv   1    
     115   3   115   1   "Not handling restraint 115, resonance(s) ' .20.O3'' (nmrStar names),' .21.P' (nmrStar names),' .21.O5'' (nmrStar names),' .21.C5'' (nmrStar names) not linked"     rr_6ijv   1    
     116   3   116   1   "Not handling restraint 116, resonance(s) ' .21.P' (nmrStar names),' .21.O5'' (nmrStar names),' .21.C5'' (nmrStar names),' .21.C4'' (nmrStar names) not linked"     rr_6ijv   1    
     117   3   117   1   "Not handling restraint 117, resonance(s) ' .21.O5'' (nmrStar names),' .21.C5'' (nmrStar names),' .21.C4'' (nmrStar names),' .21.C3'' (nmrStar names) not linked"   rr_6ijv   1    
     118   3   118   1   "Not handling restraint 118, resonance(s) ' .21.C5'' (nmrStar names),' .21.C4'' (nmrStar names),' .21.C3'' (nmrStar names),' .21.O3'' (nmrStar names) not linked"   rr_6ijv   1    
     119   3   119   1   "Not handling restraint 119, resonance(s) ' .21.C4'' (nmrStar names),' .21.C3'' (nmrStar names),' .21.O3'' (nmrStar names),' .22.P' (nmrStar names) not linked"     rr_6ijv   1    
     120   3   120   1   "Not handling restraint 120, resonance(s) ' .21.O4'' (nmrStar names),' .21.C1'' (nmrStar names),' .21.N9' (nmrStar names),' .21.C4' (nmrStar names) not linked"     rr_6ijv   1    
     121   3   121   1   "Not handling restraint 121, resonance(s) ' .21.O3'' (nmrStar names),' .22.P' (nmrStar names),' .22.O5'' (nmrStar names),' .22.C5'' (nmrStar names) not linked"     rr_6ijv   1    
     122   3   122   1   "Not handling restraint 122, resonance(s) ' .22.P' (nmrStar names),' .22.O5'' (nmrStar names),' .22.C5'' (nmrStar names),' .22.C4'' (nmrStar names) not linked"     rr_6ijv   1    
     123   3   123   1   "Not handling restraint 123, resonance(s) ' .22.O5'' (nmrStar names),' .22.C5'' (nmrStar names),' .22.C4'' (nmrStar names),' .22.C3'' (nmrStar names) not linked"   rr_6ijv   1    
     124   3   124   1   "Not handling restraint 124, resonance(s) ' .22.C5'' (nmrStar names),' .22.C4'' (nmrStar names),' .22.C3'' (nmrStar names),' .22.O3'' (nmrStar names) not linked"   rr_6ijv   1    
     125   3   125   1   "Not handling restraint 125, resonance(s) ' .22.C4'' (nmrStar names),' .22.C3'' (nmrStar names),' .22.O3'' (nmrStar names),' .23.P' (nmrStar names) not linked"     rr_6ijv   1    
     126   3   126   1   "Not handling restraint 126, resonance(s) ' .22.O4'' (nmrStar names),' .22.C1'' (nmrStar names),' .22.N1' (nmrStar names),' .22.C2' (nmrStar names) not linked"     rr_6ijv   1    
     127   3   127   1   "Not handling restraint 127, resonance(s) ' .22.O3'' (nmrStar names),' .23.P' (nmrStar names),' .23.O5'' (nmrStar names),' .23.C5'' (nmrStar names) not linked"     rr_6ijv   1    
     128   3   128   1   "Not handling restraint 128, resonance(s) ' .23.P' (nmrStar names),' .23.O5'' (nmrStar names),' .23.C5'' (nmrStar names),' .23.C4'' (nmrStar names) not linked"     rr_6ijv   1    
     129   3   129   1   "Not handling restraint 129, resonance(s) ' .23.O5'' (nmrStar names),' .23.C5'' (nmrStar names),' .23.C4'' (nmrStar names),' .23.C3'' (nmrStar names) not linked"   rr_6ijv   1    
     130   3   130   1   "Not handling restraint 130, resonance(s) ' .23.C5'' (nmrStar names),' .23.C4'' (nmrStar names),' .23.C3'' (nmrStar names),' .23.O3'' (nmrStar names) not linked"   rr_6ijv   1    
     131   3   131   1   "Not handling restraint 131, resonance(s) ' .23.C4'' (nmrStar names),' .23.C3'' (nmrStar names),' .23.O3'' (nmrStar names),' .24.P' (nmrStar names) not linked"     rr_6ijv   1    
     132   3   132   1   "Not handling restraint 132, resonance(s) ' .23.O4'' (nmrStar names),' .23.C1'' (nmrStar names),' .23.N1' (nmrStar names),' .23.C2' (nmrStar names) not linked"     rr_6ijv   1    
     133   3   133   1   "Not handling restraint 133, resonance(s) ' .23.O3'' (nmrStar names),' .24.P' (nmrStar names),' .24.O5'' (nmrStar names),' .24.C5'' (nmrStar names) not linked"     rr_6ijv   1    
     134   3   134   1   "Not handling restraint 134, resonance(s) ' .24.P' (nmrStar names),' .24.O5'' (nmrStar names),' .24.C5'' (nmrStar names),' .24.C4'' (nmrStar names) not linked"     rr_6ijv   1    
     135   3   135   1   "Not handling restraint 135, resonance(s) ' .24.O5'' (nmrStar names),' .24.C5'' (nmrStar names),' .24.C4'' (nmrStar names),' .24.C3'' (nmrStar names) not linked"   rr_6ijv   1    
     136   3   136   1   "Not handling restraint 136, resonance(s) ' .24.C5'' (nmrStar names),' .24.C4'' (nmrStar names),' .24.C3'' (nmrStar names),' .24.O3'' (nmrStar names) not linked"   rr_6ijv   1    
     137   3   137   1   "Not handling restraint 137, resonance(s) ' .24.C4'' (nmrStar names),' .24.C3'' (nmrStar names),' .24.O3'' (nmrStar names),' .25.P' (nmrStar names) not linked"     rr_6ijv   1    
     138   3   138   1   "Not handling restraint 138, resonance(s) ' .24.O4'' (nmrStar names),' .24.C1'' (nmrStar names),' .24.N1' (nmrStar names),' .24.C2' (nmrStar names) not linked"     rr_6ijv   1    
     139   3   139   1   "Not handling restraint 139, resonance(s) ' .24.O3'' (nmrStar names),' .25.P' (nmrStar names),' .25.O5'' (nmrStar names),' .25.C5'' (nmrStar names) not linked"     rr_6ijv   1    
     140   3   140   1   "Not handling restraint 140, resonance(s) ' .25.P' (nmrStar names),' .25.O5'' (nmrStar names),' .25.C5'' (nmrStar names),' .25.C4'' (nmrStar names) not linked"     rr_6ijv   1    
     141   3   141   1   "Not handling restraint 141, resonance(s) ' .25.O5'' (nmrStar names),' .25.C5'' (nmrStar names),' .25.C4'' (nmrStar names),' .25.C3'' (nmrStar names) not linked"   rr_6ijv   1    
     142   3   142   1   "Not handling restraint 142, resonance(s) ' .25.C5'' (nmrStar names),' .25.C4'' (nmrStar names),' .25.C3'' (nmrStar names),' .25.O3'' (nmrStar names) not linked"   rr_6ijv   1    
     143   3   143   1   "Not handling restraint 143, resonance(s) ' .25.C4'' (nmrStar names),' .25.C3'' (nmrStar names),' .25.O3'' (nmrStar names),' .26.P' (nmrStar names) not linked"     rr_6ijv   1    
     144   3   144   1   "Not handling restraint 144, resonance(s) ' .25.O4'' (nmrStar names),' .25.C1'' (nmrStar names),' .25.N1' (nmrStar names),' .25.C2' (nmrStar names) not linked"     rr_6ijv   1    
     145   3   145   1   "Not handling restraint 145, resonance(s) ' .25.O3'' (nmrStar names),' .26.P' (nmrStar names),' .26.O5'' (nmrStar names),' .26.C5'' (nmrStar names) not linked"     rr_6ijv   1    
     146   3   146   1   "Not handling restraint 146, resonance(s) ' .26.P' (nmrStar names),' .26.O5'' (nmrStar names),' .26.C5'' (nmrStar names),' .26.C4'' (nmrStar names) not linked"     rr_6ijv   1    
     147   3   147   1   "Not handling restraint 147, resonance(s) ' .26.O5'' (nmrStar names),' .26.C5'' (nmrStar names),' .26.C4'' (nmrStar names),' .26.C3'' (nmrStar names) not linked"   rr_6ijv   1    
     148   3   148   1   "Not handling restraint 148, resonance(s) ' .26.C5'' (nmrStar names),' .26.C4'' (nmrStar names),' .26.C3'' (nmrStar names),' .26.O3'' (nmrStar names) not linked"   rr_6ijv   1    
     149   3   149   1   "Not handling restraint 149, resonance(s) ' .26.C4'' (nmrStar names),' .26.C3'' (nmrStar names),' .26.O3'' (nmrStar names),' .27.P' (nmrStar names) not linked"     rr_6ijv   1    
     150   3   150   1   "Not handling restraint 150, resonance(s) ' .26.O4'' (nmrStar names),' .26.C1'' (nmrStar names),' .26.N9' (nmrStar names),' .26.C4' (nmrStar names) not linked"     rr_6ijv   1    
     151   3   151   1   "Not handling restraint 151, resonance(s) ' .26.O3'' (nmrStar names),' .27.P' (nmrStar names),' .27.O5'' (nmrStar names),' .27.C5'' (nmrStar names) not linked"     rr_6ijv   1    
     152   3   152   1   "Not handling restraint 152, resonance(s) ' .27.P' (nmrStar names),' .27.O5'' (nmrStar names),' .27.C5'' (nmrStar names),' .27.C4'' (nmrStar names) not linked"     rr_6ijv   1    
     153   3   153   1   "Not handling restraint 153, resonance(s) ' .27.O5'' (nmrStar names),' .27.C5'' (nmrStar names),' .27.C4'' (nmrStar names),' .27.C3'' (nmrStar names) not linked"   rr_6ijv   1    
     154   3   154   1   "Not handling restraint 154, resonance(s) ' .27.C5'' (nmrStar names),' .27.C4'' (nmrStar names),' .27.C3'' (nmrStar names),' .27.O3'' (nmrStar names) not linked"   rr_6ijv   1    
     155   3   155   1   "Not handling restraint 155, resonance(s) ' .27.C4'' (nmrStar names),' .27.C3'' (nmrStar names),' .27.O3'' (nmrStar names),' .28.P' (nmrStar names) not linked"     rr_6ijv   1    
     156   3   156   1   "Not handling restraint 156, resonance(s) ' .27.O4'' (nmrStar names),' .27.C1'' (nmrStar names),' .27.N1' (nmrStar names),' .27.C2' (nmrStar names) not linked"     rr_6ijv   1    
     157   3   157   1   "Not handling restraint 157, resonance(s) ' .28.P' (nmrStar names),' .28.O5'' (nmrStar names),' .28.C5'' (nmrStar names),' .28.C4'' (nmrStar names) not linked"     rr_6ijv   1    
     158   3   158   1   "Not handling restraint 158, resonance(s) ' .28.O5'' (nmrStar names),' .28.C5'' (nmrStar names),' .28.C4'' (nmrStar names),' .28.C3'' (nmrStar names) not linked"   rr_6ijv   1    
     159   3   159   1   "Not handling restraint 159, resonance(s) ' .28.C5'' (nmrStar names),' .28.C4'' (nmrStar names),' .28.C3'' (nmrStar names),' .28.O3'' (nmrStar names) not linked"   rr_6ijv   1    
     160   3   160   1   "Not handling restraint 160, resonance(s) ' .28.O4'' (nmrStar names),' .28.C1'' (nmrStar names),' .28.N9' (nmrStar names),' .28.C4' (nmrStar names) not linked"     rr_6ijv   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_6ijv
   _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 DNA 12-OCT-18 6IJV *TITLE SOLUTION NMR STRUCTURE OF A 14-MER DSDNA COMPLEXED WITH A NOVEL NIR *TITLE 2 FLUORESCENT PROBE QCY-DT *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: DNA (5'-D(*CP*GP*CP*GP*AP*AP*AP*TP*TP*TP*CP*GP*CP*G)-3'); *COMPND 3 CHAIN: A, B; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: HOMO SAPIENS; *SOURCE 4 ORGANISM_TAXID: 9606 *KEYWDS DSDNA, LIGAND, QCY-DT, DNA *EXPDTA SOLUTION NMR *NUMMDL 4 *AUTHOR G.BASU,S.GANGULY *REVDAT 1 06-MAR-19 6IJV 0"

save_
