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
460986 2dl3 11219 cing 2-parsed STAR dihedral angle 54


data_2dl3_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2dl3 
    _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_2dl3   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2dl3 
    _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   2dl3   "Master copy"    parsed_2dl3   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2dl3 
    _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   2dl3.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"       0   parsed_2dl3   1   
        1   2dl3.mr   .   .    DYANA/DIANA   2   "dihedral combo"           ambi               "Not applicable"       0   parsed_2dl3   1   
        1   2dl3.mr   .   .    DYANA/DIANA   3   "dihedral angle"          "Not applicable"    "Not applicable"     279   parsed_2dl3   1   
        1   2dl3.mr   .   .    DYANA/DIANA   4    distance                  NOE                 simple             1306   parsed_2dl3   1   
        1   2dl3.mr   .   .    DYANA/DIANA   5   "dihedral angle"          "Not applicable"    "Not applicable"      54   parsed_2dl3   1   
        1   2dl3.mr   .   .   "MR format"    6   "nomenclature mapping"    "Not applicable"    "Not applicable"       0   parsed_2dl3   1   
    stop_

save_


save_DYANA/DIANA_dihedral_5
    _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints 
    _Torsion_angle_constraint_list.Entry_ID            parsed_2dl3 
    _Torsion_angle_constraint_list.ID                  1 
    _Torsion_angle_constraint_list.Constraint_file_ID  1 
    _Torsion_angle_constraint_list.Block_ID            5 
    _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   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -138.1    -78.0   .   .    8   ARG+   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl3   1   
         2   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    109.4    169.4   .   .    8   ARG+   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl3   1   
         3   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -163.9   -103.9   .   .   10   ALA    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl3   1   
         4   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    128.0    188.0   .   .   10   ALA    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl3   1   
         5   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -152.2    -92.2   .   .   11   ARG+   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl3   1   
         6   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    105.2    165.2   .   .   11   ARG+   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl3   1   
         7   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -130.4    -70.4   .   .   12   ALA    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl3   1   
         8   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    101.8    161.8   .   .   12   ALA    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl3   1   
         9   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -142.9    -82.9   .   .   16   PHE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl3   1   
        10   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    107.3    167.3   .   .   16   PHE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl3   1   
        11   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -148.9    -88.9   .   .   17   LYS+   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl3   1   
        12   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     92.1    152.1   .   .   17   LYS+   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl3   1   
        13   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -154.4    -94.4   .   .   23   GLU-   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl3   1   
        14   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    115.3    175.3   .   .   23   GLU-   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl3   1   
        15   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -142.7    -82.7   .   .   24   LEU    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl3   1   
        16   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     92.0    152.0   .   .   24   LEU    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl3   1   
        17   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -113.3    -53.3   .   .   30   ASP-   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl3   1   
        18   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    109.2    169.2   .   .   30   ASP-   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl3   1   
        19   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -140.4    -80.4   .   .   31   ILE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl3   1   
        20   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    102.2    162.2   .   .   31   ILE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl3   1   
        21   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -155.3    -95.3   .   .   32   VAL    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl3   1   
        22   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    122.7    182.7   .   .   32   VAL    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl3   1   
        23   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -126.7    -66.7   .   .   33   TYR    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl3   1   
        24   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    107.3    167.3   .   .   33   TYR    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl3   1   
        25   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -116.2    -56.2   .   .   34   ILE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl3   1   
        26   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    107.7    167.7   .   .   34   ILE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl3   1   
        27   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -158.7    -98.7   .   .   36   LYS+   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl3   1   
        28   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    119.9    179.9   .   .   36   LYS+   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl3   1   
        29   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -134.7    -74.7   .   .   37   GLN    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl3   1   
        30   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     98.4    158.4   .   .   37   GLN    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl3   1   
        31   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -143.5    -83.5   .   .   42   TRP    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl3   1   
        32   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    111.7    171.7   .   .   42   TRP    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl3   1   
        33   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -158.6    -98.6   .   .   43   TYR    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl3   1   
        34   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    122.4    182.4   .   .   43   TYR    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl3   1   
        35   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -156.0    -96.0   .   .   44   GLU-   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl3   1   
        36   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    111.3    171.3   .   .   44   GLU-   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl3   1   
        37   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -161.6   -101.6   .   .   46   GLU-   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl3   1   
        38   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    111.5    171.5   .   .   46   GLU-   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl3   1   
        39   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -164.7   -104.7   .   .   47   HIS    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl3   1   
        40   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    104.6    164.6   .   .   47   HIS    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl3   1   
        41   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -139.4    -79.4   .   .   50   ARG+   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl3   1   
        42   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    115.3    175.3   .   .   50   ARG+   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl3   1   
        43   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -145.3    -85.3   .   .   51   VAL    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl3   1   
        44   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    105.2    165.2   .   .   51   VAL    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl3   1   
        45   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -153.6    -93.5   .   .   53   ILE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl3   1   
        46   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    122.0    182.0   .   .   53   ILE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl3   1   
        47   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -167.9   -107.9   .   .   54   PHE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl3   1   
        48   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    128.2    188.2   .   .   54   PHE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl3   1   
        49   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -103.3    -43.3   .   .   57   THR    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl3   1   
        50   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -47.2     12.8   .   .   57   THR    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl3   1   
        51   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -167.0   -107.0   .   .   59   ILE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl3   1   
        52   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    129.4    189.4   .   .   59   ILE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl3   1   
        53   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -162.7   -102.7   .   .   60   GLU-   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl3   1   
        54   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    109.4    169.4   .   .   60   GLU-   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl3   1   
    stop_

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