NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing stage program type item_count
36444 1nk2 4141 cing 2-parsed STAR dihedral angle 53


data_1nk2_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1nk2 
    _Study_list.ID           1 

    loop_
        _Study.ID 
        _Study.Name 
        _Study.Type 
        _Study.Details 
        _Study.Entry_ID 
        _Study.Study_list_ID 

        1   "Conversion project"    NMR   .   parsed_1nk2   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1nk2 
    _Entry.Title                       "Original constraint list(s)" 
    _Entry.Version_type                 original 
    _Entry.Submission_date              . 
    _Entry.Accession_date               . 
    _Entry.Last_release_date            . 
    _Entry.Original_release_date        . 
    _Entry.Origination                  . 
    _Entry.NMR_STAR_version             3.1 
    _Entry.Original_NMR_STAR_version    . 
    _Entry.Experimental_method          NMR 
    _Entry.Experimental_method_subtype  . 

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

        PDB   1nk2   "Master copy"    parsed_1nk2   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1nk2 
    _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   1nk2.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"       0   parsed_1nk2   1   
        1   1nk2.mr   .   .    DISCOVER      2    stereochemistry           prochirality       "Not applicable"       0   parsed_1nk2   1   
        1   1nk2.mr   .   .    DISCOVER      3    stereochemistry           chirality          "Not applicable"       0   parsed_1nk2   1   
        1   1nk2.mr   .   .    DISCOVER      4    distance                 "hydrogen bond"      simple              129   parsed_1nk2   1   
        1   1nk2.mr   .   .    DISCOVER      5    distance                  NOE                 simple             5584   parsed_1nk2   1   
        1   1nk2.mr   .   .    n/a           6    comment                  "Not applicable"    "Not applicable"       0   parsed_1nk2   1   
        1   1nk2.mr   .   .    DISCOVER      7   "dihedral angle"          "Not applicable"    "Not applicable"      53   parsed_1nk2   1   
        1   1nk2.mr   .   .   "MR format"    8   "nomenclature mapping"    "Not applicable"    "Not applicable"       0   parsed_1nk2   1   
    stop_

save_


save_Discover_dihedral_7
    _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints 
    _Torsion_angle_constraint_list.Entry_ID            parsed_1nk2 
    _Torsion_angle_constraint_list.ID                  1 
    _Torsion_angle_constraint_list.Constraint_file_ID  1 
    _Torsion_angle_constraint_list.Block_ID            7 
    _Torsion_angle_constraint_list.Details            "Generated by Wattos" 

    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.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.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.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.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.Auth_asym_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_asym_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_asym_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_asym_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.Entry_ID 
        _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 

         1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    146.3   -146.3   .   1   114   VAL    HA   1   114   VAL    CA   1   114   VAL    N   1   114   VAL    HN   parsed_1nk2   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -153.7   -128.0   .   1   115   LEU    HA   1   115   LEU    CA   1   115   LEU    N   1   115   LEU    HN   parsed_1nk2   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -168.4   -138.7   .   1   116   PHE    HA   1   116   PHE    CA   1   116   PHE    N   1   116   PHE    HN   parsed_1nk2   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -163.4   -135.6   .   1   117   THR    HA   1   117   THR    CA   1   117   THR    N   1   117   THR    HN   parsed_1nk2   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -149.5   -107.7   .   1   118   LYS+   HA   1   118   LYS+   CA   1   118   LYS+   N   1   118   LYS+   HN   parsed_1nk2   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -131.9   -104.7   .   1   119   ALA    HA   1   119   ALA    CA   1   119   ALA    N   1   119   ALA    HN   parsed_1nk2   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -128.0    -98.9   .   1   121   THR    HA   1   121   THR    CA   1   121   THR    N   1   121   THR    HN   parsed_1nk2   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -129.6   -101.4   .   1   122   TYR    HA   1   122   TYR    CA   1   122   TYR    N   1   122   TYR    HN   parsed_1nk2   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -138.7   -113.1   .   1   123   GLU-   HA   1   123   GLU-   CA   1   123   GLU-   N   1   123   GLU-   HN   parsed_1nk2   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -136.5   -110.5   .   1   124   LEU    HA   1   124   LEU    CA   1   124   LEU    N   1   124   LEU    HN   parsed_1nk2   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -127.2    -97.6   .   1   125   GLU-   HA   1   125   GLU-   CA   1   125   GLU-   N   1   125   GLU-   HN   parsed_1nk2   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -128.0    -98.9   .   1   126   ARG+   HA   1   126   ARG+   CA   1   126   ARG+   N   1   126   ARG+   HN   parsed_1nk2   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -147.9   -122.7   .   1   127   ARG+   HA   1   127   ARG+   CA   1   127   ARG+   N   1   127   ARG+   HN   parsed_1nk2   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -138.7   -113.1   .   1   128   PHE    HA   1   128   PHE    CA   1   128   PHE    N   1   128   PHE    HN   parsed_1nk2   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -133.5   -106.7   .   1   129   ARG+   HA   1   129   ARG+   CA   1   129   ARG+   N   1   129   ARG+   HN   parsed_1nk2   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    146.3   -146.3   .   1   130   GLN    HA   1   130   GLN    CA   1   130   GLN    N   1   130   GLN    HN   parsed_1nk2   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    131.0    157.3   .   1   131   GLN    HA   1   131   GLN    CA   1   131   GLN    N   1   131   GLN    HN   parsed_1nk2   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -145.6   -120.4   .   1   132   ARG+   HA   1   132   ARG+   CA   1   132   ARG+   N   1   132   ARG+   HN   parsed_1nk2   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    120.4    145.6   .   1   133   TYR    HA   1   133   TYR    CA   1   133   TYR    N   1   133   TYR    HN   parsed_1nk2   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    145.4   -145.4   .   1   134   LEU    HA   1   134   LEU    CA   1   134   LEU    N   1   134   LEU    HN   parsed_1nk2   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    145.4   -145.4   .   1   135   SER    HA   1   135   SER    CA   1   135   SER    N   1   135   SER    HN   parsed_1nk2   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -140.2   -114.8   .   1   136   ALA    HA   1   136   ALA    CA   1   136   ALA    N   1   136   ALA    HN   parsed_1nk2   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -146.3   -121.2   .   1   138   GLU-   HA   1   138   GLU-   CA   1   138   GLU-   N   1   138   GLU-   HN   parsed_1nk2   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -145.6   -120.4   .   1   139   ARG+   HA   1   139   ARG+   CA   1   139   ARG+   N   1   139   ARG+   HN   parsed_1nk2   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -128.0    -98.9   .   1   140   GLU-   HA   1   140   GLU-   CA   1   140   GLU-   N   1   140   GLU-   HN   parsed_1nk2   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -149.5   -107.7   .   1   141   HIS+   HA   1   141   HIS+   CA   1   141   HIS+   N   1   141   HIS+   HN   parsed_1nk2   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -136.5   -110.5   .   1   142   LEU    HA   1   142   LEU    CA   1   142   LEU    N   1   142   LEU    HN   parsed_1nk2   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -131.2   -103.6   .   1   143   ALA    HA   1   143   ALA    CA   1   143   ALA    N   1   143   ALA    HN   parsed_1nk2   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -133.5   -106.7   .   1   144   SER    HA   1   144   SER    CA   1   144   SER    N   1   144   SER    HN   parsed_1nk2   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -140.2   -114.8   .   1   145   LEU    HA   1   145   LEU    CA   1   145   LEU    N   1   145   LEU    HN   parsed_1nk2   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    152.3   -152.3   .   1   146   ILE    HA   1   146   ILE    CA   1   146   ILE    N   1   146   ILE    HN   parsed_1nk2   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     14.9     47.3   .   1   147   ARG+   HA   1   147   ARG+   CA   1   147   ARG+   N   1   147   ARG+   HN   parsed_1nk2   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -167.0   -137.9   .   1   148   LEU    HA   1   148   LEU    CA   1   148   LEU    N   1   148   LEU    HN   parsed_1nk2   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -150.3   -125.0   .   1   149   THR    HA   1   149   THR    CA   1   149   THR    N   1   149   THR    HN   parsed_1nk2   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -140.2   -114.8   .   1   151   THR    HA   1   151   THR    CA   1   151   THR    N   1   151   THR    HN   parsed_1nk2   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -133.5   -106.7   .   1   153   VAL    HA   1   153   VAL    CA   1   153   VAL    N   1   153   VAL    HN   parsed_1nk2   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -131.2   -103.6   .   1   154   LYS+   HA   1   154   LYS+   CA   1   154   LYS+   N   1   154   LYS+   HN   parsed_1nk2   1   
        38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -141.0   -115.6   .   1   155   ILE    HA   1   155   ILE    CA   1   155   ILE    N   1   155   ILE    HN   parsed_1nk2   1   
        39   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -143.3   -118.0   .   1   156   TRP    HA   1   156   TRP    CA   1   156   TRP    N   1   156   TRP    HN   parsed_1nk2   1   
        40   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -144.8   -119.6   .   1   157   PHE    HA   1   157   PHE    CA   1   157   PHE    N   1   157   PHE    HN   parsed_1nk2   1   
        41   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -138.7    -88.4   .   1   158   GLN    HA   1   158   GLN    CA   1   158   GLN    N   1   158   GLN    HN   parsed_1nk2   1   
        42   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -134.2   -107.7   .   1   159   ASN    HA   1   159   ASN    CA   1   159   ASN    N   1   159   ASN    HN   parsed_1nk2   1   
        43   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -150.3   -125.0   .   1   160   HIS+   HA   1   160   HIS+   CA   1   160   HIS+   N   1   160   HIS+   HN   parsed_1nk2   1   
        44   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -138.0    -85.0   .   1   161   ARG+   HA   1   161   ARG+   CA   1   161   ARG+   N   1   161   ARG+   HN   parsed_1nk2   1   
        45   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -138.0   -112.3   .   1   162   TYR    HA   1   162   TYR    CA   1   162   TYR    N   1   162   TYR    HN   parsed_1nk2   1   
        46   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -133.5   -106.7   .   1   163   LYS+   HA   1   163   LYS+   CA   1   163   LYS+   N   1   163   LYS+   HN   parsed_1nk2   1   
        47   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -149.5   -124.2   .   1   164   THR    HA   1   164   THR    CA   1   164   THR    N   1   164   THR    HN   parsed_1nk2   1   
        48   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -133.5   -106.7   .   1   165   LYS+   HA   1   165   LYS+   CA   1   165   LYS+   N   1   165   LYS+   HN   parsed_1nk2   1   
        49   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -138.7   -113.1   .   1   166   ARG+   HA   1   166   ARG+   CA   1   166   ARG+   N   1   166   ARG+   HN   parsed_1nk2   1   
        50   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -141.7   -116.4   .   1   167   ALA    HA   1   167   ALA    CA   1   167   ALA    N   1   167   ALA    HN   parsed_1nk2   1   
        51   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -151.1   -125.7   .   1   168   GLN    HA   1   168   GLN    CA   1   168   GLN    N   1   168   GLN    HN   parsed_1nk2   1   
        52   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -150.3   -125.0   .   1   169   ASN    HA   1   169   ASN    CA   1   169   ASN    N   1   169   ASN    HN   parsed_1nk2   1   
        53   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -153.7   -128.0   .   1   170   GLU-   HA   1   170   GLU-   CA   1   170   GLU-   N   1   170   GLU-   HN   parsed_1nk2   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    3J_dihedral                     1     1    1    12   parsed_1nk2   1   
         2   "A=6.700, B=-1.300, C=1.500"     2   124    2   150   parsed_1nk2   1   
         3   "A=6.700, B=-1.300, C=1.500"     3   124    3   150   parsed_1nk2   1   
         4   "A=6.700, B=-1.300, C=1.500"     4   124    4   150   parsed_1nk2   1   
         5   "A=6.700, B=-1.300, C=1.500"     5   124    5   150   parsed_1nk2   1   
         6   "A=6.700, B=-1.300, C=1.500"     6   124    6   150   parsed_1nk2   1   
         7   "A=6.700, B=-1.300, C=1.500"     7   124    7   150   parsed_1nk2   1   
         8   "A=6.700, B=-1.300, C=1.500"     8   124    8   150   parsed_1nk2   1   
         9   "A=6.700, B=-1.300, C=1.500"     9   124    9   150   parsed_1nk2   1   
        10   "A=6.700, B=-1.300, C=1.500"    10   124   10   150   parsed_1nk2   1   
        11   "A=6.700, B=-1.300, C=1.500"    11   124   11   150   parsed_1nk2   1   
        12   "A=6.700, B=-1.300, C=1.500"    12   124   12   150   parsed_1nk2   1   
        13   "A=6.700, B=-1.300, C=1.500"    13   124   13   150   parsed_1nk2   1   
        14   "A=6.700, B=-1.300, C=1.500"    14   124   14   150   parsed_1nk2   1   
        15   "A=6.700, B=-1.300, C=1.500"    15   124   15   150   parsed_1nk2   1   
        16   "A=6.700, B=-1.300, C=1.500"    16   124   16   150   parsed_1nk2   1   
        17   "A=6.700, B=-1.300, C=1.500"    17   124   17   150   parsed_1nk2   1   
        18   "A=6.700, B=-1.300, C=1.500"    18   124   18   150   parsed_1nk2   1   
        19   "A=6.700, B=-1.300, C=1.500"    19   124   19   150   parsed_1nk2   1   
        20   "A=6.700, B=-1.300, C=1.500"    20   124   20   150   parsed_1nk2   1   
        21   "A=6.700, B=-1.300, C=1.500"    21   124   21   150   parsed_1nk2   1   
        22   "A=6.700, B=-1.300, C=1.500"    22   124   22   150   parsed_1nk2   1   
        23   "A=6.700, B=-1.300, C=1.500"    23   124   23   150   parsed_1nk2   1   
        24   "A=6.700, B=-1.300, C=1.500"    24   124   24   150   parsed_1nk2   1   
        25   "A=6.700, B=-1.300, C=1.500"    25   124   25   150   parsed_1nk2   1   
        26   "A=6.700, B=-1.300, C=1.500"    26   124   26   150   parsed_1nk2   1   
        27   "A=6.700, B=-1.300, C=1.500"    27   124   27   150   parsed_1nk2   1   
        28   "A=6.700, B=-1.300, C=1.500"    28   124   28   150   parsed_1nk2   1   
        29   "A=6.700, B=-1.300, C=1.500"    29   124   29   150   parsed_1nk2   1   
        30   "A=6.700, B=-1.300, C=1.500"    30   124   30   150   parsed_1nk2   1   
        31   "A=6.700, B=-1.300, C=1.500"    31   124   31   150   parsed_1nk2   1   
        32   "A=6.700, B=-1.300, C=1.500"    32   124   32   150   parsed_1nk2   1   
        33   "A=6.700, B=-1.300, C=1.500"    33   124   33   150   parsed_1nk2   1   
        34   "A=6.700, B=-1.300, C=1.500"    34   124   34   150   parsed_1nk2   1   
        35   "A=6.700, B=-1.300, C=1.500"    35   124   35   150   parsed_1nk2   1   
        36   "A=6.700, B=-1.300, C=1.500"    36   124   36   150   parsed_1nk2   1   
        37   "A=6.700, B=-1.300, C=1.500"    37   124   37   150   parsed_1nk2   1   
        38   "A=6.700, B=-1.300, C=1.500"    38   124   38   150   parsed_1nk2   1   
        39   "A=6.700, B=-1.300, C=1.500"    39   124   39   150   parsed_1nk2   1   
        40   "A=6.700, B=-1.300, C=1.500"    40   124   40   150   parsed_1nk2   1   
        41   "A=6.700, B=-1.300, C=1.500"    41   124   41   150   parsed_1nk2   1   
        42   "A=6.700, B=-1.300, C=1.500"    42   124   42   150   parsed_1nk2   1   
        43   "A=6.700, B=-1.300, C=1.500"    43   124   43   150   parsed_1nk2   1   
        44   "A=6.700, B=-1.300, C=1.500"    44   124   44   150   parsed_1nk2   1   
        45   "A=6.700, B=-1.300, C=1.500"    45   124   45   150   parsed_1nk2   1   
        46   "A=6.700, B=-1.300, C=1.500"    46   124   46   150   parsed_1nk2   1   
        47   "A=6.700, B=-1.300, C=1.500"    47   124   47   150   parsed_1nk2   1   
        48   "A=6.700, B=-1.300, C=1.500"    48   124   48   150   parsed_1nk2   1   
        49   "A=6.700, B=-1.300, C=1.500"    49   124   49   150   parsed_1nk2   1   
        50   "A=6.700, B=-1.300, C=1.500"    50   124   50   150   parsed_1nk2   1   
        51   "A=6.700, B=-1.300, C=1.500"    51   124   51   150   parsed_1nk2   1   
        52   "A=6.700, B=-1.300, C=1.500"    52   124   52   150   parsed_1nk2   1   
        53   "A=6.700, B=-1.300, C=1.500"    53   124   53   150   parsed_1nk2   1   
    stop_

save_





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