data_2juu_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2juu 
    _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_2juu   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2juu 
    _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   2juu   "Master copy"    parsed_2juu   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2juu 
    _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   2juu.mr   .   .   "MR format"    1    comment                  "Not applicable"      "Not applicable"      0   parsed_2juu   1   
        1   2juu.mr   .   .    DISCOVER      2    stereochemistry           prochirality         "Not applicable"      0   parsed_2juu   1   
        1   2juu.mr   .   .    DISCOVER      3    stereochemistry           chirality            "Not applicable"      0   parsed_2juu   1   
        1   2juu.mr   .   .    DISCOVER      4    distance                 "general distance"     simple              99   parsed_2juu   1   
        1   2juu.mr   .   .    DISCOVER      5    distance                  NOE                   simple             584   parsed_2juu   1   
        1   2juu.mr   .   .    n/a           6    comment                  "Not applicable"      "Not applicable"      0   parsed_2juu   1   
        1   2juu.mr   .   .    DISCOVER      7   "dihedral angle"          "Not applicable"      "Not applicable"     46   parsed_2juu   1   
        1   2juu.mr   .   .   "MR format"    8   "nomenclature mapping"    "Not applicable"      "Not applicable"      0   parsed_2juu   1   
    stop_

save_


save_Discover_dihedral_7
    _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints 
    _Torsion_angle_constraint_list.Entry_ID            parsed_2juu 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.000    -40.000   .   1    1   GLYN   C   1    2   ILE    N    1    2   ILE    CA   1    2   ILE    C     parsed_2juu   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.000    -40.000   .   1    2   ILE    C   1    3   ALO    N    1    3   ALO    CA   1    3   ALO    C     parsed_2juu   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.000    -40.000   .   1    3   ALO    C   1    4   GLU-   N    1    4   GLU-   CA   1    4   GLU-   C     parsed_2juu   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.000    -40.000   .   1    4   GLU-   C   1    5   GLN    N    1    5   GLN    CA   1    5   GLN    C     parsed_2juu   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.000    -40.000   .   1    5   GLN    C   1    6   CYS    N    1    6   CYS    CA   1    6   CYS    C     parsed_2juu   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.000    -40.000   .   1   12   SER    C   1   13   LEU    N    1   13   LEU    CA   1   13   LEU    C     parsed_2juu   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.000    -40.000   .   1   13   LEU    C   1   14   TYR    N    1   14   TYR    CA   1   14   TYR    C     parsed_2juu   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.000    -40.000   .   1   14   TYR    C   1   15   GLN    N    1   15   GLN    CA   1   15   GLN    C     parsed_2juu   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.000    -40.000   .   1   15   GLN    C   1   16   LEU    N    1   16   LEU    CA   1   16   LEU    C     parsed_2juu   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.000    -40.000   .   1   16   LEU    C   1   17   GLU-   N    1   17   GLU-   CA   1   17   GLU-   C     parsed_2juu   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.000    -40.000   .   1   17   GLU-   C   1   18   ASN    N    1   18   ASN    CA   1   18   ASN    C     parsed_2juu   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.000    -40.000   .   1   18   ASN    C   1   19   TYR    N    1   19   TYR    CA   1   19   TYR    C     parsed_2juu   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.000    -40.000   .   1   19   TYR    C   1   20   CYS    N    1   20   CYS    CA   1   20   CYS    C     parsed_2juu   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.000    -40.000   .   1   25   GLN    C   1   26   HIS    N    1   26   HIS    CA   1   26   HIS    C     parsed_2juu   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.000    -40.000   .   1   30   SER    C   1   31   ASP-   N    1   31   ASP-   CA   1   31   ASP-   C     parsed_2juu   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.000    -40.000   .   1   31   ASP-   C   1   32   LEU    N    1   32   LEU    CA   1   32   LEU    C     parsed_2juu   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.000    -40.000   .   1   32   LEU    C   1   33   VAL    N    1   33   VAL    CA   1   33   VAL    C     parsed_2juu   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.000    -40.000   .   1   33   VAL    C   1   34   GLU-   N    1   34   GLU-   CA   1   34   GLU-   C     parsed_2juu   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.000    -40.000   .   1   34   GLU-   C   1   35   ALA    N    1   35   ALA    CA   1   35   ALA    C     parsed_2juu   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.000    -40.000   .   1   35   ALA    C   1   36   LEU    N    1   36   LEU    CA   1   36   LEU    C     parsed_2juu   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.000    -40.000   .   1   36   LEU    C   1   37   TYR    N    1   37   TYR    CA   1   37   TYR    C     parsed_2juu   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.000    -40.000   .   1   37   TYR    C   1   38   LEU    N    1   38   LEU    CA   1   38   LEU    C     parsed_2juu   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.000    -40.000   .   1   38   LEU    C   1   39   VAL    N    1   39   VAL    CA   1   39   VAL    C     parsed_2juu   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.000    -80.000   .   1    9   SER    C   1   10   ILE    N    1   10   ILE    CA   1   10   ILE    C     parsed_2juu   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.000    -80.000   .   1   11   CYS    C   1   12   SER    N    1   12   SER    CA   1   12   SER    C     parsed_2juu   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.000    -80.000   .   1   22   PHEN   C   1   23   VAL    N    1   23   VAL    CA   1   23   VAL    C     parsed_2juu   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.000    -80.000   .   1   24   ASN    C   1   25   GLN    N    1   25   GLN    CA   1   25   GLN    C     parsed_2juu   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.000    -80.000   .   1   26   HIS    C   1   27   LEU    N    1   27   LEU    CA   1   27   LEU    C     parsed_2juu   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.000    -80.000   .   1   45   PHE    C   1   46   PHE    N    1   46   PHE    CA   1   46   PHE    C     parsed_2juu   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.000    -80.000   .   1   47   TYR    C   1   48   THR    N    1   48   THR    CA   1   48   THR    C     parsed_2juu   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -100.000    -20.000   .   1    6   CYS    N   1    6   CYS    CA   1    6   CYS    CB   1    6   CYS    SG    parsed_2juu   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -100.000    -20.000   .   1   39   VAL    N   1   39   VAL    CA   1   39   VAL    CB   1   39   VAL    CG1   parsed_2juu   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -100.000    -20.000   .   1   19   TYR    N   1   19   TYR    CA   1   19   TYR    CB   1   19   TYR    CG    parsed_2juu   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -100.000    -20.000   .   1   26   HIS    N   1   26   HIS    CA   1   26   HIS    CB   1   26   HIS    CG    parsed_2juu   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     20.000    100.000   .   1   27   LEU    N   1   27   LEU    CA   1   27   LEU    CB   1   27   LEU    CG    parsed_2juu   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -100.000    -20.000   .   1   31   ASP-   N   1   31   ASP-   CA   1   31   ASP-   CB   1   31   ASP-   CG    parsed_2juu   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    140.000   -140.000   .   1   32   LEU    N   1   32   LEU    CA   1   32   LEU    CB   1   32   LEU    CG    parsed_2juu   1   
        38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -100.000    -20.000   .   1   33   VAL    N   1   33   VAL    CA   1   33   VAL    CB   1   33   VAL    CG1   parsed_2juu   1   
        39   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -100.000    -20.000   .   1   40   CYS    N   1   40   CYS    CA   1   40   CYS    CB   1   40   CYS    SG    parsed_2juu   1   
        40   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    140.000   -140.000   .   1    5   GLN    N   1    5   GLN    CA   1    5   GLN    CB   1    5   GLN    CG    parsed_2juu   1   
        41   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    140.000   -140.000   .   1    7   CYS    N   1    7   CYS    CA   1    7   CYS    CB   1    7   CYS    SG    parsed_2juu   1   
        42   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    140.000   -140.000   .   1   14   TYR    N   1   14   TYR    CA   1   14   TYR    CB   1   14   TYR    CG    parsed_2juu   1   
        43   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    140.000   -140.000   .   1   25   GLN    N   1   25   GLN    CA   1   25   GLN    CB   1   25   GLN    CG    parsed_2juu   1   
        44   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    140.000   -140.000   .   1   38   LEU    N   1   38   LEU    CA   1   38   LEU    CB   1   38   LEU    CG    parsed_2juu   1   
        45   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     20.000    100.000   .   1   12   SER    N   1   12   SER    CA   1   12   SER    CB   1   12   SER    OG    parsed_2juu   1   
        46   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     20.000    100.000   .   1   45   PHE    N   1   45   PHE    CA   1   45   PHE    CB   1   45   PHE    CG    parsed_2juu   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   NMR_dihedral   1   1   1   13   parsed_2juu   1   
    stop_

save_



