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
535731 2lld 18043 cing 2-parsed STAR dihedral angle 83


data_2lld_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2lld 
    _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_2lld   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2lld 
    _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   2lld   "Master copy"    parsed_2lld   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2lld 
    _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   2lld.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"     0   parsed_2lld   1   
        1   2lld.mr   .   .    XPLOR/CNS     2   "dihedral angle"          "Not applicable"    "Not applicable"    83   parsed_2lld   1   
        1   2lld.mr   .   .    XPLOR/CNS     3    distance                  NOE                 simple              0   parsed_2lld   1   
        1   2lld.mr   .   .   "MR format"    4   "nomenclature mapping"    "Not applicable"    "Not applicable"     0   parsed_2lld   1   
    stop_

save_


save_CNS/XPLOR_dihedral_2
    _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints 
    _Torsion_angle_constraint_list.Entry_ID            parsed_2lld 
    _Torsion_angle_constraint_list.ID                  1 
    _Torsion_angle_constraint_list.Constraint_file_ID  1 
    _Torsion_angle_constraint_list.Block_ID            2 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -139.00    -79.00   .   .    1   .   C   .    2   .   N    .    2   .   CA   .    2   .   C   parsed_2lld   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    123.00    183.00   .   .    2   .   N   .    2   .   CA   .    2   .   C    .    3   .   N   parsed_2lld   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -109.00    -47.00   .   .    2   .   C   .    3   .   N    .    3   .   CA   .    3   .   C   parsed_2lld   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -39.00     23.00   .   .    3   .   N   .    3   .   CA   .    3   .   C    .    4   .   N   parsed_2lld   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -109.00    -49.00   .   .    8   .   C   .    9   .   N    .    9   .   CA   .    9   .   C   parsed_2lld   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    155.00    171.00   .   .    9   .   N   .    9   .   CA   .    9   .   C    .   10   .   N   parsed_2lld   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -89.00    -45.00   .   .   13   .   C   .   14   .   N    .   14   .   CA   .   14   .   C   parsed_2lld   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -63.00     -5.00   .   .   14   .   N   .   14   .   CA   .   14   .   C    .   15   .   N   parsed_2lld   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -75.00    -45.00   .   .   14   .   C   .   15   .   N    .   15   .   CA   .   15   .   C   parsed_2lld   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -73.00    -11.00   .   .   15   .   N   .   15   .   CA   .   15   .   C    .   16   .   N   parsed_2lld   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -97.00    -45.00   .   .   15   .   C   .   16   .   N    .   16   .   CA   .   16   .   C   parsed_2lld   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -65.00    -25.00   .   .   16   .   N   .   16   .   CA   .   16   .   C    .   17   .   N   parsed_2lld   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -95.00    -45.00   .   .   16   .   C   .   17   .   N    .   17   .   CA   .   17   .   C   parsed_2lld   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -71.00    -11.00   .   .   17   .   N   .   17   .   CA   .   17   .   C    .   18   .   N   parsed_2lld   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -93.00    -45.00   .   .   17   .   C   .   18   .   N    .   18   .   CA   .   18   .   C   parsed_2lld   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -73.00    -11.00   .   .   18   .   N   .   18   .   CA   .   18   .   C    .   19   .   N   parsed_2lld   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -85.00    -45.00   .   .   18   .   C   .   19   .   N    .   19   .   CA   .   19   .   C   parsed_2lld   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -65.00    -11.00   .   .   19   .   N   .   19   .   CA   .   19   .   C    .   20   .   N   parsed_2lld   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -95.00    -45.00   .   .   19   .   C   .   20   .   N    .   20   .   CA   .   20   .   C   parsed_2lld   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -71.00    -11.00   .   .   20   .   N   .   20   .   CA   .   20   .   C    .   21   .   N   parsed_2lld   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -95.00    -45.00   .   .   20   .   C   .   21   .   N    .   21   .   CA   .   21   .   C   parsed_2lld   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -67.00     -7.00   .   .   21   .   N   .   21   .   CA   .   21   .   C    .   22   .   N   parsed_2lld   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -99.00    -45.00   .   .   21   .   C   .   22   .   N    .   22   .   CA   .   22   .   C   parsed_2lld   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -63.00     -1.00   .   .   22   .   N   .   22   .   CA   .   22   .   C    .   23   .   N   parsed_2lld   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -119.00    -57.00   .   .   22   .   C   .   23   .   N    .   23   .   CA   .   23   .   C   parsed_2lld   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -37.00     23.00   .   .   23   .   N   .   23   .   CA   .   23   .   C    .   24   .   N   parsed_2lld   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -127.00    -65.00   .   .   24   .   C   .   25   .   N    .   25   .   CA   .   25   .   C   parsed_2lld   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    145.00    165.00   .   .   25   .   N   .   25   .   CA   .   25   .   C    .   26   .   N   parsed_2lld   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -137.00    -77.00   .   .   28   .   C   .   29   .   N    .   29   .   CA   .   29   .   C   parsed_2lld   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    101.00    161.00   .   .   29   .   N   .   29   .   CA   .   29   .   C    .   30   .   N   parsed_2lld   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -125.00    -65.00   .   .   29   .   C   .   30   .   N    .   30   .   CA   .   30   .   C   parsed_2lld   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    125.00    165.00   .   .   30   .   N   .   30   .   CA   .   30   .   C    .   31   .   N   parsed_2lld   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -135.00    -81.00   .   .   34   .   C   .   35   .   N    .   35   .   CA   .   35   .   C   parsed_2lld   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    135.00    165.00   .   .   35   .   N   .   35   .   CA   .   35   .   C    .   36   .   N   parsed_2lld   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -105.00    -51.00   .   .   35   .   C   .   36   .   N    .   36   .   CA   .   36   .   C   parsed_2lld   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    125.00    147.00   .   .   36   .   N   .   36   .   CA   .   36   .   C    .   37   .   N   parsed_2lld   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -135.00    -95.00   .   .   36   .   C   .   37   .   N    .   37   .   CA   .   37   .   C   parsed_2lld   1   
        38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    101.00    115.00   .   .   37   .   N   .   37   .   CA   .   37   .   C    .   38   .   N   parsed_2lld   1   
        39   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -129.00    -67.00   .   .   37   .   C   .   38   .   N    .   38   .   CA   .   38   .   C   parsed_2lld   1   
        40   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    115.00    151.00   .   .   38   .   N   .   38   .   CA   .   38   .   C    .   39   .   N   parsed_2lld   1   
        41   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -143.00    -83.00   .   .   38   .   C   .   39   .   N    .   39   .   CA   .   39   .   C   parsed_2lld   1   
        42   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    113.00    175.00   .   .   39   .   N   .   39   .   CA   .   39   .   C    .   40   .   N   parsed_2lld   1   
        43   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -85.00    205.00   .   .    1   .   N   .    1   .   CA   .    1   .   C    .    2   .   N   parsed_2lld   1   
        44   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -155.00    -45.00   .   .    3   .   C   .    4   .   N    .    4   .   CA   .    4   .   C   parsed_2lld   1   
        45   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    135.00    185.00   .   .    4   .   N   .    4   .   CA   .    4   .   C    .    5   .   N   parsed_2lld   1   
        46   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -315.00    -45.00   .   .    4   .   C   .    5   .   N    .    5   .   CA   .    5   .   C   parsed_2lld   1   
        47   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -175.00     65.00   .   .    4   .   C   .    5   .   N    .    5   .   CA   .    5   .   C   parsed_2lld   1   
        48   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     45.00    195.00   .   .    5   .   N   .    5   .   CA   .    5   .   C    .    6   .   N   parsed_2lld   1   
        49   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -135.00    -45.00   .   .    5   .   C   .    6   .   N    .    6   .   CA   .    6   .   C   parsed_2lld   1   
        50   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -85.00    -25.00   .   .    6   .   N   .    6   .   CA   .    6   .   C    .    7   .   N   parsed_2lld   1   
        51   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -145.00    -75.00   .   .    6   .   C   .    7   .   N    .    7   .   CA   .    7   .   C   parsed_2lld   1   
        52   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     -5.00     15.00   .   .    7   .   N   .    7   .   CA   .    7   .   C    .    8   .   N   parsed_2lld   1   
        53   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -295.00    -65.00   .   .    7   .   C   .    8   .   N    .    8   .   CA   .    8   .   C   parsed_2lld   1   
        54   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -235.00   -125.00   .   .    8   .   N   .    8   .   CA   .    8   .   C    .    9   .   N   parsed_2lld   1   
        55   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -295.00    -65.00   .   .    9   .   C   .   10   .   N    .   10   .   CA   .   10   .   C   parsed_2lld   1   
        56   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -135.00    135.00   .   .    9   .   C   .   10   .   N    .   10   .   CA   .   10   .   C   parsed_2lld   1   
        57   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -15.00     15.00   .   .   10   .   N   .   10   .   CA   .   10   .   C    .   11   .   N   parsed_2lld   1   
        58   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -135.00    -45.00   .   .   10   .   C   .   11   .   N    .   11   .   CA   .   11   .   C   parsed_2lld   1   
        59   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -85.00    -15.00   .   .   11   .   N   .   11   .   CA   .   11   .   C    .   12   .   N   parsed_2lld   1   
        60   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -315.00    -45.00   .   .   11   .   C   .   12   .   N    .   12   .   CA   .   12   .   C   parsed_2lld   1   
        61   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -155.00     75.00   .   .   11   .   C   .   12   .   N    .   12   .   CA   .   12   .   C   parsed_2lld   1   
        62   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     55.00    185.00   .   .   12   .   N   .   12   .   CA   .   12   .   C    .   13   .   N   parsed_2lld   1   
        63   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -125.00    -45.00   .   .   12   .   C   .   13   .   N    .   13   .   CA   .   13   .   C   parsed_2lld   1   
        64   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -45.00      5.00   .   .   13   .   N   .   13   .   CA   .   13   .   C    .   14   .   N   parsed_2lld   1   
        65   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -315.00    -45.00   .   .   23   .   C   .   24   .   N    .   24   .   CA   .   24   .   C   parsed_2lld   1   
        66   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -145.00    145.00   .   .   23   .   C   .   24   .   N    .   24   .   CA   .   24   .   C   parsed_2lld   1   
        67   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -145.00    -45.00   .   .   25   .   C   .   26   .   N    .   26   .   CA   .   26   .   C   parsed_2lld   1   
        68   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -85.00    175.00   .   .   26   .   N   .   26   .   CA   .   26   .   C    .   27   .   N   parsed_2lld   1   
        69   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -315.00    -45.00   .   .   26   .   C   .   27   .   N    .   27   .   CA   .   27   .   C   parsed_2lld   1   
        70   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -195.00   -165.00   .   .   27   .   N   .   27   .   CA   .   27   .   C    .   28   .   N   parsed_2lld   1   
        71   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -315.00    -45.00   .   .   27   .   C   .   28   .   N    .   28   .   CA   .   28   .   C   parsed_2lld   1   
        72   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -245.00   -115.00   .   .   28   .   N   .   28   .   CA   .   28   .   C    .   29   .   N   parsed_2lld   1   
        73   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -155.00    -45.00   .   .   30   .   C   .   31   .   N    .   31   .   CA   .   31   .   C   parsed_2lld   1   
        74   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -205.00   -155.00   .   .   31   .   N   .   31   .   CA   .   31   .   C    .   32   .   N   parsed_2lld   1   
        75   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -315.00    -45.00   .   .   31   .   C   .   32   .   N    .   32   .   CA   .   32   .   C   parsed_2lld   1   
        76   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -145.00    145.00   .   .   31   .   C   .   32   .   N    .   32   .   CA   .   32   .   C   parsed_2lld   1   
        77   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -115.00    115.00   .   .   32   .   N   .   32   .   CA   .   32   .   C    .   33   .   N   parsed_2lld   1   
        78   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -185.00    -95.00   .   .   32   .   C   .   33   .   N    .   33   .   CA   .   33   .   C   parsed_2lld   1   
        79   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .      5.00     65.00   .   .   33   .   N   .   33   .   CA   .   33   .   C    .   34   .   N   parsed_2lld   1   
        80   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     55.00     75.00   .   .   33   .   C   .   34   .   N    .   34   .   CA   .   34   .   C   parsed_2lld   1   
        81   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     25.00     55.00   .   .   34   .   N   .   34   .   CA   .   34   .   C    .   35   .   N   parsed_2lld   1   
        82   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -145.00    -45.00   .   .   39   .   C   .   40   .   N    .   40   .   CA   .   40   .   C   parsed_2lld   1   
        83   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -105.00    225.00   .   .   39   .   C   .   40   .   N    .   40   .   CA   .   40   .   C   parsed_2lld   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   
;
Lucifensin

PHI 2
;
     1   1     3   8   parsed_2lld   1   
         2   "PSI 2"       6   1     6   8   parsed_2lld   1   
         3   "PHI 3"       9   1     9   8   parsed_2lld   1   
         4   "PSI 3"      12   1    12   8   parsed_2lld   1   
         5   "PHI 9"      15   1    15   8   parsed_2lld   1   
         6   "PSI 9"      18   1    18   8   parsed_2lld   1   
         7   "PHI 14"     21   1    21   9   parsed_2lld   1   
         8   "PSI 14"     24   1    24   9   parsed_2lld   1   
         9   "PHI 15"     27   1    27   9   parsed_2lld   1   
        10   "PSI 15"     30   1    30   9   parsed_2lld   1   
        11   "PHI 16"     33   1    33   9   parsed_2lld   1   
        12   "PSI 16"     36   1    36   9   parsed_2lld   1   
        13   "PHI 17"     39   1    39   9   parsed_2lld   1   
        14   "PSI 17"     42   1    42   9   parsed_2lld   1   
        15   "PHI 18"     45   1    45   9   parsed_2lld   1   
        16   "PSI 18"     48   1    48   9   parsed_2lld   1   
        17   "PHI 19"     51   1    51   9   parsed_2lld   1   
        18   "PSI 19"     54   1    54   9   parsed_2lld   1   
        19   "PHI 20"     57   1    57   9   parsed_2lld   1   
        20   "PSI 20"     60   1    60   9   parsed_2lld   1   
        21   "PHI 21"     63   1    63   9   parsed_2lld   1   
        22   "PSI 21"     66   1    66   9   parsed_2lld   1   
        23   "PHI 22"     69   1    69   9   parsed_2lld   1   
        24   "PSI 22"     72   1    72   9   parsed_2lld   1   
        25   "PHI 23"     75   1    75   9   parsed_2lld   1   
        26   "PSI 23"     78   1    78   9   parsed_2lld   1   
        27   "PHI 25"     81   1    81   9   parsed_2lld   1   
        28   "PSI 25"     84   1    84   9   parsed_2lld   1   
        29   "PHI 29"     87   1    87   9   parsed_2lld   1   
        30   "PSI 29"     90   1    90   9   parsed_2lld   1   
        31   "PHI 30"     93   1    93   9   parsed_2lld   1   
        32   "PSI 30"     96   1    96   9   parsed_2lld   1   
        33   "PHI 35"     99   1    99   9   parsed_2lld   1   
        34   "PSI 35"    102   1   102   9   parsed_2lld   1   
        35   "PHI 36"    105   1   105   9   parsed_2lld   1   
        36   "PSI 36"    108   1   108   9   parsed_2lld   1   
        37   "PHI 37"    111   1   111   9   parsed_2lld   1   
        38   "PSI 37"    114   1   114   9   parsed_2lld   1   
        39   "PHI 38"    117   1   117   9   parsed_2lld   1   
        40   "PSI 38"    120   1   120   9   parsed_2lld   1   
        41   "PHI 39"    123   1   123   9   parsed_2lld   1   
        42   "PSI 39"    126   1   126   9   parsed_2lld   1   
        43   "PSI 1"     129   1   129   8   parsed_2lld   1   
        44   "PHI 4"     132   1   132   8   parsed_2lld   1   
        45   "PSI 4"     135   1   135   8   parsed_2lld   1   
        46   "PHI 5"     138   1   138   8   parsed_2lld   1   
        47   "PHI 5"     141   1   141   8   parsed_2lld   1   
        48   "PSI 5"     144   1   144   8   parsed_2lld   1   
        49   "PHI 6"     147   1   147   8   parsed_2lld   1   
        50   "PSI 6"     150   1   150   8   parsed_2lld   1   
        51   "PHI 7"     153   1   153   8   parsed_2lld   1   
        52   "PSI 7"     156   1   156   8   parsed_2lld   1   
        53   "PHI 8"     159   1   159   8   parsed_2lld   1   
        54   "PSI 8"     162   1   162   8   parsed_2lld   1   
        55   "PHI 10"    165   1   165   9   parsed_2lld   1   
        56   "PHI 10"    168   1   168   9   parsed_2lld   1   
        57   "PSI 10"    171   1   171   9   parsed_2lld   1   
        58   "PHI 11"    174   1   174   9   parsed_2lld   1   
        59   "PSI 11"    177   1   177   9   parsed_2lld   1   
        60   "PHI 12"    180   1   180   9   parsed_2lld   1   
        61   "PHI 12"    183   1   183   9   parsed_2lld   1   
        62   "PSI 12"    186   1   186   9   parsed_2lld   1   
        63   "PHI 13"    189   1   189   9   parsed_2lld   1   
        64   "PSI 13"    192   1   192   9   parsed_2lld   1   
        65   "PHI 24"    195   1   195   9   parsed_2lld   1   
        66   "PHI 24"    198   1   198   9   parsed_2lld   1   
        67   "PHI 26"    201   1   201   9   parsed_2lld   1   
        68   "PSI 26"    204   1   204   9   parsed_2lld   1   
        69   "PHI 27"    207   1   207   9   parsed_2lld   1   
        70   "PSI 27"    210   1   210   9   parsed_2lld   1   
        71   "PHI 28"    213   1   213   9   parsed_2lld   1   
        72   "PSI 28"    216   1   216   9   parsed_2lld   1   
        73   "PHI 31"    219   1   219   9   parsed_2lld   1   
        74   "PSI 31"    222   1   222   9   parsed_2lld   1   
        75   "PHI 32"    225   1   225   9   parsed_2lld   1   
        76   "PHI 32"    228   1   228   9   parsed_2lld   1   
        77   "PSI 32"    231   1   231   9   parsed_2lld   1   
        78   "PHI 33"    234   1   234   9   parsed_2lld   1   
        79   "PSI 33"    237   1   237   9   parsed_2lld   1   
        80   "PHI 34"    240   1   240   9   parsed_2lld   1   
        81   "PSI 34"    243   1   243   9   parsed_2lld   1   
        82   "PHI 40"    246   1   246   9   parsed_2lld   1   
        83   "PHI 40"    249   1   249   9   parsed_2lld   1   
    stop_

save_





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