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
461081 2dl7 11220 cing 2-parsed STAR dihedral angle 34


data_2dl7_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2dl7 
    _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_2dl7   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2dl7 
    _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   2dl7   "Master copy"    parsed_2dl7   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2dl7 
    _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   2dl7.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"       0   parsed_2dl7   1   
        1   2dl7.mr   .   .    DYANA/DIANA   2   "dihedral combo"           ambi               "Not applicable"       0   parsed_2dl7   1   
        1   2dl7.mr   .   .    DYANA/DIANA   3   "dihedral angle"          "Not applicable"    "Not applicable"     258   parsed_2dl7   1   
        1   2dl7.mr   .   .    DYANA/DIANA   4    distance                  NOE                 simple             1256   parsed_2dl7   1   
        1   2dl7.mr   .   .    DYANA/DIANA   5   "dihedral angle"          "Not applicable"    "Not applicable"      34   parsed_2dl7   1   
        1   2dl7.mr   .   .   "MR format"    6   "nomenclature mapping"    "Not applicable"    "Not applicable"       0   parsed_2dl7   1   
    stop_

save_


save_DYANA/DIANA_dihedral_5
    _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints 
    _Torsion_angle_constraint_list.Entry_ID            parsed_2dl7 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -161.2   -101.2   .   .   10   PHE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl7   1   
         2   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    121.7    181.7   .   .   10   PHE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl7   1   
         3   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -166.8   -106.8   .   .   11   VAL    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl7   1   
         4   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    124.4    184.4   .   .   11   VAL    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl7   1   
         5   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -159.6    -99.6   .   .   12   LYS+   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl7   1   
         6   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    125.0    185.0   .   .   12   LYS+   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl7   1   
         7   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -181.5   -121.5   .   .   25   LEU    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl7   1   
         8   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    130.4    190.4   .   .   25   LEU    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl7   1   
         9   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -141.8    -81.8   .   .   26   SER    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl7   1   
        10   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    115.7    175.7   .   .   26   SER    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl7   1   
        11   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -133.9    -73.9   .   .   27   PHE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl7   1   
        12   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    105.6    165.6   .   .   27   PHE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl7   1   
        13   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -132.4    -72.4   .   .   46   PHE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl7   1   
        14   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    102.6    162.6   .   .   46   PHE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl7   1   
        15   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -158.9    -98.9   .   .   47   TRP    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl7   1   
        16   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    129.6    189.6   .   .   47   TRP    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl7   1   
        17   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -151.5    -91.5   .   .   48   GLU-   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl7   1   
        18   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    106.8    166.8   .   .   48   GLU-   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl7   1   
        19   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -154.7    -94.7   .   .   49   GLY    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl7   1   
        20   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    103.9    163.9   .   .   49   GLY    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl7   1   
        21   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -157.1    -97.1   .   .   54   ARG+   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl7   1   
        22   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    105.1    165.1   .   .   54   ARG+   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl7   1   
        23   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -148.8    -88.8   .   .   55   ILE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl7   1   
        24   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    108.2    168.2   .   .   55   ILE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl7   1   
        25   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -167.1   -107.1   .   .   57   VAL    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl7   1   
        26   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    125.4    185.4   .   .   57   VAL    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl7   1   
        27   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -148.8    -88.8   .   .   58   PHE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl7   1   
        28   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    122.4    182.4   .   .   58   PHE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl7   1   
        29   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     31.6     91.6   .   .   60   SER    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl7   1   
        30   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     -1.2     58.8   .   .   60   SER    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl7   1   
        31   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -165.6   -105.6   .   .   63   VAL    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl7   1   
        32   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    123.6    183.6   .   .   63   VAL    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl7   1   
        33   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -174.7   -114.7   .   .   64   GLU-   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl7   1   
        34   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    128.2    188.2   .   .   64   GLU-   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2dl7   1   
    stop_

save_





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