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
578309 2mlv 19833 cing 2-parsed STAR dihedral angle 36


data_2mlv_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2mlv 
    _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_2mlv   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2mlv 
    _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   2mlv   "Master copy"    parsed_2mlv   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2mlv 
    _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   2mlv.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"     0   parsed_2mlv   1   
        1   2mlv.mr   .   .    unknown       2   "chemical shift"          "Not applicable"    "Not applicable"     0   parsed_2mlv   1   
        1   2mlv.mr   .   .    DYANA/DIANA   3   "dihedral angle"          "Not applicable"    "Not applicable"    36   parsed_2mlv   1   
        1   2mlv.mr   .   .    DYANA/DIANA   4    distance                  NOE                 simple              0   parsed_2mlv   1   
        1   2mlv.mr   .   .   "MR format"    5   "nomenclature mapping"    "Not applicable"    "Not applicable"     0   parsed_2mlv   1   
    stop_

save_


save_DYANA/DIANA_dihedral_3
    _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints 
    _Torsion_angle_constraint_list.Entry_ID            parsed_2mlv 
    _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   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -98.4   -43.3   .   .    2   LYS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mlv   1   
         2   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -66.0     0.5   .   .    2   LYS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mlv   1   
         3   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -106.1   -37.4   .   .    4   ILE   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mlv   1   
         4   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -70.5     3.0   .   .    4   ILE   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mlv   1   
         5   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -74.4   -51.6   .   .    5   LEU   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mlv   1   
         6   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -47.8   -27.8   .   .    5   LEU   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mlv   1   
         7   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -74.2   -54.2   .   .    6   ARG   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mlv   1   
         8   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -51.7   -31.7   .   .    6   ARG   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mlv   1   
         9   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -77.0   -52.6   .   .    7   PHE   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mlv   1   
        10   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -54.2   -25.5   .   .    7   PHE   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mlv   1   
        11   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -73.9   -53.9   .   .    8   VAL   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mlv   1   
        12   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -49.0   -26.7   .   .    8   VAL   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mlv   1   
        13   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -80.0   -45.6   .   .    9   ALA   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mlv   1   
        14   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -64.2   -23.8   .   .    9   ALA   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mlv   1   
        15   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -72.0   -50.0   .   .   10   GLY   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mlv   1   
        16   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -54.4   -28.4   .   .   10   GLY   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mlv   1   
        17   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -73.7   -53.7   .   .   11   TYR   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mlv   1   
        18   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -61.5   -26.0   .   .   11   TYR   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mlv   1   
        19   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -77.7   -53.4   .   .   12   ASP   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mlv   1   
        20   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -50.5   -29.2   .   .   12   ASP   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mlv   1   
        21   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.3   -46.2   .   .   13   ILE   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mlv   1   
        22   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -59.2   -21.5   .   .   13   ILE   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mlv   1   
        23   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -71.6   -51.6   .   .   14   ALA   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mlv   1   
        24   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -50.9   -30.9   .   .   14   ALA   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mlv   1   
        25   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -72.1   -52.1   .   .   15   SER   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mlv   1   
        26   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -62.8   -18.4   .   .   15   SER   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mlv   1   
        27   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -93.6   -44.8   .   .   16   HIS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mlv   1   
        28   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -55.6   -20.6   .   .   16   HIS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mlv   1   
        29   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -78.7   -53.0   .   .   17   LYS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mlv   1   
        30   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -59.9    -5.2   .   .   17   LYS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mlv   1   
        31   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -87.8   -49.2   .   .   18   LYS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mlv   1   
        32   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -66.2     0.4   .   .   18   LYS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mlv   1   
        33   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -99.6   -48.1   .   .   25   TRP   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mlv   1   
        34   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -55.8    18.3   .   .   25   TRP   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mlv   1   
        35   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -124.0   -66.1   .   .   27   ARG   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mlv   1   
        36   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -30.6    38.0   .   .   27   ARG   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mlv   1   
    stop_

save_





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