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
48898 2jp5 15218 cing 2-parsed STAR dihedral angle 25


data_2jp5_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2jp5 
    _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_2jp5   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2jp5 
    _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   2jp5   "Master copy"    parsed_2jp5   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2jp5 
    _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   2jp5.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"      0   parsed_2jp5   1   
        1   2jp5.mr   .   .    DYANA/DIANA   2   "coupling constant"       "Not applicable"    "Not applicable"      0   parsed_2jp5   1   
        1   2jp5.mr   .   .    DYANA/DIANA   3    distance                  NOE                 simple             129   parsed_2jp5   1   
        1   2jp5.mr   .   .    DYANA/DIANA   4   "dihedral angle"          "Not applicable"    "Not applicable"     25   parsed_2jp5   1   
        1   2jp5.mr   .   .   "MR format"    5   "nomenclature mapping"    "Not applicable"    "Not applicable"      0   parsed_2jp5   1   
    stop_

save_


save_DYANA/DIANA_dihedral_4
    _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints 
    _Torsion_angle_constraint_list.Entry_ID            parsed_2jp5 
    _Torsion_angle_constraint_list.ID                  1 
    _Torsion_angle_constraint_list.Constraint_file_ID  1 
    _Torsion_angle_constraint_list.Block_ID            4 
    _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     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -315.0   -35.0   .   .   2   THR   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jp5   1   
         2   PHI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -165.0    65.0   .   .   2   THR   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jp5   1   
         3   CHI1    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     65.0    85.0   .   .   2   THR   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jp5   1   
         4   CHI21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -305.0   -25.0   .   .   2   THR   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jp5   1   
         5   CHI21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -105.0   225.0   .   .   2   THR   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jp5   1   
         6   PSI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    145.0   185.0   .   .   2   THR   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jp5   1   
         7   PHI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     35.0   295.0   .   .   3   TRP   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jp5   1   
         8   PHI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -175.0    95.0   .   .   3   TRP   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jp5   1   
         9   PHI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -85.0   205.0   .   .   3   TRP   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jp5   1   
        10   CHI2    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -155.0   155.0   .   .   3   TRP   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jp5   1   
        11   PSI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     55.0    85.0   .   .   3   TRP   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jp5   1   
        12   PHI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     55.0   275.0   .   .   4   LEU   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jp5   1   
        13   PHI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -155.0    65.0   .   .   4   LEU   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jp5   1   
        14   PHI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -105.0   225.0   .   .   4   LEU   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jp5   1   
        15   CHI1    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -15.0    -5.0   .   .   4   LEU   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jp5   1   
        16   CHI2    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    155.0   195.0   .   .   4   LEU   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jp5   1   
        17   PSI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     65.0   155.0   .   .   4   LEU   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jp5   1   
        18   PSI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    115.0   155.0   .   .   5   PRO   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jp5   1   
        19   PSI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    115.0   185.0   .   .   6   PRO   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jp5   1   
        20   PHI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     35.0   285.0   .   .   7   ARG   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jp5   1   
        21   PHI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -165.0    75.0   .   .   7   ARG   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jp5   1   
        22   PHI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -95.0   215.0   .   .   7   ARG   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jp5   1   
        23   CHI1    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -135.0    15.0   .   .   7   ARG   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jp5   1   
        24   CHI1    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     -5.0   265.0   .   .   7   ARG   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jp5   1   
        25   CHI2    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     25.0   335.0   .   .   7   ARG   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jp5   1   
    stop_

save_





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