NMR Restraints Grid

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

image mrblock_id pdb_id cing stage program type item_count
33871 1j3d cing 2-parsed STAR dihedral angle 65


data_1j3d_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1j3d 
    _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_1j3d   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1j3d 
    _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   1j3d   "Master copy"    parsed_1j3d   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1j3d 
    _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   1j3d.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"       0   parsed_1j3d   1   
        1   1j3d.mr   .   .    XPLOR/CNS     2    distance                  NOE                 simple             1899   parsed_1j3d   1   
        1   1j3d.mr   .   .    XPLOR/CNS     3   "dihedral angle"          "Not applicable"    "Not applicable"      65   parsed_1j3d   1   
        1   1j3d.mr   .   .    XPLOR/CNS     4   "dipolar coupling"        "Not applicable"    "Not applicable"       0   parsed_1j3d   1   
        1   1j3d.mr   .   .   "MR format"    5   "nomenclature mapping"    "Not applicable"    "Not applicable"       0   parsed_1j3d   1   
    stop_

save_


save_CNS/XPLOR_dihedral_3
    _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints 
    _Torsion_angle_constraint_list.Entry_ID            parsed_1j3d 
    _Torsion_angle_constraint_list.ID                  1 
    _Torsion_angle_constraint_list.Constraint_file_ID  1 
    _Torsion_angle_constraint_list.Block_ID            3 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -105.0   -25.0   .   .    6   .   c   .    7   .   n    .    7   .   ca   .    7   .   c    parsed_1j3d   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -105.0   -25.0   .   .    9   .   c   .   10   .   n    .   10   .   ca   .   10   .   c    parsed_1j3d   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -105.0   -25.0   .   .   14   .   c   .   15   .   n    .   15   .   ca   .   15   .   c    parsed_1j3d   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -105.0   -25.0   .   .   15   .   c   .   16   .   n    .   16   .   ca   .   16   .   c    parsed_1j3d   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -105.0   -25.0   .   .   16   .   c   .   17   .   n    .   17   .   ca   .   17   .   c    parsed_1j3d   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -105.0   -25.0   .   .   17   .   c   .   18   .   n    .   18   .   ca   .   18   .   c    parsed_1j3d   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -105.0   -25.0   .   .   18   .   c   .   19   .   n    .   19   .   ca   .   19   .   c    parsed_1j3d   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -105.0   -25.0   .   .   19   .   c   .   20   .   n    .   20   .   ca   .   20   .   c    parsed_1j3d   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -105.0   -25.0   .   .   22   .   c   .   23   .   n    .   23   .   ca   .   23   .   c    parsed_1j3d   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -105.0   -25.0   .   .   25   .   c   .   26   .   n    .   26   .   ca   .   26   .   c    parsed_1j3d   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -105.0   -25.0   .   .   26   .   c   .   27   .   n    .   27   .   ca   .   27   .   c    parsed_1j3d   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -105.0   -25.0   .   .   27   .   c   .   28   .   n    .   28   .   ca   .   28   .   c    parsed_1j3d   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.0   -80.0   .   .   29   .   c   .   30   .   n    .   30   .   ca   .   30   .   c    parsed_1j3d   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -105.0   -25.0   .   .   32   .   c   .   33   .   n    .   33   .   ca   .   33   .   c    parsed_1j3d   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -105.0   -25.0   .   .   33   .   c   .   34   .   n    .   34   .   ca   .   34   .   c    parsed_1j3d   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -105.0   -25.0   .   .   37   .   c   .   38   .   n    .   38   .   ca   .   38   .   c    parsed_1j3d   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -105.0   -25.0   .   .   39   .   c   .   40   .   n    .   40   .   ca   .   40   .   c    parsed_1j3d   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -105.0   -25.0   .   .   40   .   c   .   41   .   n    .   41   .   ca   .   41   .   c    parsed_1j3d   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -105.0   -25.0   .   .   41   .   c   .   42   .   n    .   42   .   ca   .   42   .   c    parsed_1j3d   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -105.0   -25.0   .   .   43   .   c   .   44   .   n    .   44   .   ca   .   44   .   c    parsed_1j3d   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -105.0   -25.0   .   .   44   .   c   .   45   .   n    .   45   .   ca   .   45   .   c    parsed_1j3d   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -105.0   -25.0   .   .   45   .   c   .   46   .   n    .   46   .   ca   .   46   .   c    parsed_1j3d   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -105.0   -25.0   .   .   46   .   c   .   47   .   n    .   47   .   ca   .   47   .   c    parsed_1j3d   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -105.0   -25.0   .   .   49   .   c   .   50   .   n    .   50   .   ca   .   50   .   c    parsed_1j3d   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -105.0   -25.0   .   .   50   .   c   .   51   .   n    .   51   .   ca   .   51   .   c    parsed_1j3d   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -105.0   -25.0   .   .   51   .   c   .   52   .   n    .   52   .   ca   .   52   .   c    parsed_1j3d   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -105.0   -25.0   .   .   54   .   c   .   55   .   n    .   55   .   ca   .   55   .   c    parsed_1j3d   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -105.0   -25.0   .   .   58   .   c   .   59   .   n    .   59   .   ca   .   59   .   c    parsed_1j3d   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -105.0   -25.0   .   .   59   .   c   .   60   .   n    .   60   .   ca   .   60   .   c    parsed_1j3d   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -105.0   -25.0   .   .   60   .   c   .   61   .   n    .   61   .   ca   .   61   .   c    parsed_1j3d   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -105.0   -25.0   .   .   61   .   c   .   62   .   n    .   62   .   ca   .   62   .   c    parsed_1j3d   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -105.0   -25.0   .   .   62   .   c   .   63   .   n    .   63   .   ca   .   63   .   c    parsed_1j3d   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -105.0   -25.0   .   .   63   .   c   .   64   .   n    .   64   .   ca   .   64   .   c    parsed_1j3d   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -105.0   -25.0   .   .   64   .   c   .   65   .   n    .   65   .   ca   .   65   .   c    parsed_1j3d   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -105.0   -25.0   .   .   65   .   c   .   66   .   n    .   66   .   ca   .   66   .   c    parsed_1j3d   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -105.0   -25.0   .   .   66   .   c   .   67   .   n    .   67   .   ca   .   67   .   c    parsed_1j3d   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -105.0   -25.0   .   .   67   .   c   .   68   .   n    .   68   .   ca   .   68   .   c    parsed_1j3d   1   
        38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -105.0   -25.0   .   .   68   .   c   .   69   .   n    .   69   .   ca   .   69   .   c    parsed_1j3d   1   
        39   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -105.0   -25.0   .   .   70   .   c   .   71   .   n    .   71   .   ca   .   71   .   c    parsed_1j3d   1   
        40   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -105.0   -25.0   .   .   71   .   c   .   72   .   n    .   72   .   ca   .   72   .   c    parsed_1j3d   1   
        41   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -105.0   -25.0   .   .   72   .   c   .   73   .   n    .   73   .   ca   .   73   .   c    parsed_1j3d   1   
        42   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -105.0   -25.0   .   .   73   .   c   .   74   .   n    .   74   .   ca   .   74   .   c    parsed_1j3d   1   
        43   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -105.0   -25.0   .   .   74   .   c   .   75   .   n    .   75   .   ca   .   75   .   c    parsed_1j3d   1   
        44   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -100.0   -20.0   .   .    6   .   n   .    6   .   ca   .    6   .   cb   .    6   .   cg   parsed_1j3d   1   
        45   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -100.0   -20.0   .   .    9   .   n   .    9   .   ca   .    9   .   cb   .    9   .   cg   parsed_1j3d   1   
        46   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    140.0   220.0   .   .   15   .   n   .   15   .   ca   .   15   .   cb   .   15   .   cg   parsed_1j3d   1   
        47   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    140.0   220.0   .   .   16   .   n   .   16   .   ca   .   16   .   cb   .   16   .   cg   parsed_1j3d   1   
        48   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .      0.0   120.0   .   .   21   .   n   .   21   .   ca   .   21   .   cb   .   21   .   cg   parsed_1j3d   1   
        49   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -100.0   -20.0   .   .   22   .   n   .   22   .   ca   .   22   .   cb   .   22   .   cg   parsed_1j3d   1   
        50   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -120.0     0.0   .   .   27   .   n   .   27   .   ca   .   27   .   cb   .   27   .   cg   parsed_1j3d   1   
        51   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -100.0   -20.0   .   .   29   .   n   .   29   .   ca   .   29   .   cb   .   29   .   cg   parsed_1j3d   1   
        52   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     20.0   100.0   .   .   34   .   n   .   34   .   ca   .   34   .   cb   .   34   .   og   parsed_1j3d   1   
        53   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -100.0   -20.0   .   .   37   .   n   .   37   .   ca   .   37   .   cb   .   37   .   cg   parsed_1j3d   1   
        54   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -100.0   -20.0   .   .   40   .   n   .   40   .   ca   .   40   .   cb   .   40   .   cg   parsed_1j3d   1   
        55   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    140.0   220.0   .   .   46   .   n   .   46   .   ca   .   46   .   cb   .   46   .   cg   parsed_1j3d   1   
        56   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -100.0   -20.0   .   .   48   .   n   .   48   .   ca   .   48   .   cb   .   48   .   cg   parsed_1j3d   1   
        57   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     20.0   100.0   .   .   50   .   n   .   50   .   ca   .   50   .   cb   .   50   .   og   parsed_1j3d   1   
        58   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    140.0   220.0   .   .   52   .   n   .   52   .   ca   .   52   .   cb   .   52   .   cg   parsed_1j3d   1   
        59   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    140.0   220.0   .   .   54   .   n   .   54   .   ca   .   54   .   cb   .   54   .   cg   parsed_1j3d   1   
        60   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -100.0   -20.0   .   .   57   .   n   .   57   .   ca   .   57   .   cb   .   57   .   cg   parsed_1j3d   1   
        61   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .      0.0   120.0   .   .   58   .   n   .   58   .   ca   .   58   .   cb   .   58   .   cg   parsed_1j3d   1   
        62   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -100.0   -20.0   .   .   59   .   n   .   59   .   ca   .   59   .   cb   .   59   .   cg   parsed_1j3d   1   
        63   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    140.0   220.0   .   .   65   .   n   .   65   .   ca   .   65   .   cb   .   65   .   cg   parsed_1j3d   1   
        64   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -100.0   -20.0   .   .   69   .   n   .   69   .   ca   .   69   .   cb   .   69   .   cg   parsed_1j3d   1   
        65   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -100.0   -20.0   .   .   71   .   n   .   71   .   ca   .   71   .   cb   .   71   .   cg   parsed_1j3d   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   
;
Dihedral angle restraints
!	phi torsion constraints
!	A7
;
     1    1     5   11   parsed_1j3d   1   
         2   "!	R10"      8    1     8   12   parsed_1j3d   1   
         3   "!	F15"     11    1    11   12   parsed_1j3d   1   
         4   "!	F16"     14    1    14   12   parsed_1j3d   1   
         5   "!	L17"     17    1    17   12   parsed_1j3d   1   
         6   "!	F18"     20    1    20   12   parsed_1j3d   1   
         7   "!	C19"     23    1    23   12   parsed_1j3d   1   
         8   "!	S20"     26    1    26   12   parsed_1j3d   1   
         9   "!	R23"     29    1    29   12   parsed_1j3d   1   
        10   "!	I26"     32    1    32   12   parsed_1j3d   1   
        11   "!	K27"     35    1    35   12   parsed_1j3d   1   
        12   "!	S28"     38    1    38   12   parsed_1j3d   1   
        13   "!	H30"     41    1    41   12   parsed_1j3d   1   
        14   "!	L33"     44    1    44   12   parsed_1j3d   1   
        15   "!	S34"     47    1    47   12   parsed_1j3d   1   
        16   "!	T38"     50    1    50   12   parsed_1j3d   1   
        17   
;
!	A39
assign (resid  38 and name c )  (resid  39 and name n )
(resid  39 and name ca)  (resid  39 and name c )  1.0  -65.0   40.0 2
!	K40
;
    53    1    56   12   parsed_1j3d   1   
        18   "!	K41"     59    1    59   12   parsed_1j3d   1   
        19   "!	L42"     62    1    62   12   parsed_1j3d   1   
        20   "!	E44"     65    1    65   12   parsed_1j3d   1   
        21   "!	M45"     68    1    68   12   parsed_1j3d   1   
        22   "!	W46"     71    1    71   12   parsed_1j3d   1   
        23   "!	S47"     74    1    74   12   parsed_1j3d   1   
        24   "!	S50"     77    1    77   12   parsed_1j3d   1   
        25   "!	A51"     80    1    80   12   parsed_1j3d   1   
        26   "!	K52"     83    1    83   12   parsed_1j3d   1   
        27   "!	Q55"     86    1    86   12   parsed_1j3d   1   
        28   
;
!	E58
assign (resid  57 and name c )  (resid  58 and name n )
(resid  58 and name ca)  (resid  58 and name c )  1.0  -65.0   40.0 2
!	Q59
;
    89    1    92   12   parsed_1j3d   1   
        29   "!	K60"     95    1    95   12   parsed_1j3d   1   
        30   "!	A61"     98    1    98   12   parsed_1j3d   1   
        31   "!	A62"    101    1   101   12   parsed_1j3d   1   
        32   "!	K63"    104    1   104   12   parsed_1j3d   1   
        33   "!	L64"    107    1   107   12   parsed_1j3d   1   
        34   "!	K65"    110    1   110   12   parsed_1j3d   1   
        35   "!	E66"    113    1   113   12   parsed_1j3d   1   
        36   "!	K67"    116    1   116   12   parsed_1j3d   1   
        37   "!	Y68"    119    1   119   12   parsed_1j3d   1   
        38   "!	E69"    122    1   122   12   parsed_1j3d   1   
        39   "!	D71"    125    1   125   12   parsed_1j3d   1   
        40   "!	I72"    128    1   128   12   parsed_1j3d   1   
        41   "!	A73"    131    1   131   12   parsed_1j3d   1   
        42   "!	A74"    134    1   134   12   parsed_1j3d   1   
        43   "!	Y75"    137    1   137   12   parsed_1j3d   1   
        44   
;
! 	chi1 torsion constraints
!	N6
;
   141    1   143   13   parsed_1j3d   1   
        45   "!	K9"     146    1   146   13   parsed_1j3d   1   
        46   "!	F15"    149    1   149   13   parsed_1j3d   1   
        47   "!	F16"    152    1   152   13   parsed_1j3d   1   
        48   
;
!	F18
assign (resid  18 and name n  )  (resid  18 and name ca )
(resid  18 and name cb )  (resid  18 and name cg )  1.0   60.0   60.0 2 !
!	E21
;
   155    1   158   13   parsed_1j3d   1   
        49   "!	H22"    160   80   161   13   parsed_1j3d   1   
        50   "!	K27"    164    1   164   13   parsed_1j3d   1   
        51   "!	E29"    166   80   167   13   parsed_1j3d   1   
        52   "!	S34"    170    1   170   13   parsed_1j3d   1   
        53   "!	D37"    173    1   173   13   parsed_1j3d   1   
        54   "!	K40"    176    1   176   13   parsed_1j3d   1   
        55   
;
!	L42
assign (resid  42 and name n  )  (resid  42 and name ca )
(resid  42 and name cb )  (resid  42 and name cg )  1.0  -60.0   60.0 2 !
!	E44
assign (resid  44 and name n  )  (resid  44 and name ca )
(resid  44 and name cb )  (resid  44 and name cg )  1.0   60.0   60.0 2 !
!	W46
;
   179    1   185   13   parsed_1j3d   1   
        56   "!	E48"    188    1   188   13   parsed_1j3d   1   
        57   "!	S50"    191    1   191   13   parsed_1j3d   1   
        58   "!	K52"    194    1   194   13   parsed_1j3d   1   
        59   "!	K54"    197    1   197   13   parsed_1j3d   1   
        60   "!	Y57"    200    1   200   13   parsed_1j3d   1   
        61   "!	E58"    203    1   203   13   parsed_1j3d   1   
        62   "!	Q59"    205   80   206   13   parsed_1j3d   1   
        63   "!	K65"    209    1   209   13   parsed_1j3d   1   
        64   "!	E69"    212    1   212   13   parsed_1j3d   1   
        65   "!	D71"    215    1   215   13   parsed_1j3d   1   
        66   
;
!	R76
assign (resid  76 and name n  )  (resid  76 and name ca )
(resid  76 and name cb )  (resid  76 and name cg )  1.0  -60.0   40.0 2
;
   218    1   220   80   parsed_1j3d   1   
    stop_

save_





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