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
503876 2co8 10247 cing 2-parsed STAR dihedral angle 32


data_2co8_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2co8 
    _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_2co8   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2co8 
    _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   2co8   "Master copy"    parsed_2co8   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2co8 
    _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   2co8.mr   .   .   "MR format"    1    comment                  "Not applicable"      "Not applicable"     0   parsed_2co8   1   
        1   2co8.mr   .   .    DYANA/DIANA   2   "dihedral angle"          "Not applicable"      "Not applicable"    32   parsed_2co8   1   
        1   2co8.mr   .   .    DYANA/DIANA   3    distance                 "general distance"     simple              0   parsed_2co8   1   
        1   2co8.mr   .   .    DYANA/DIANA   4    distance                 "general distance"     simple              0   parsed_2co8   1   
        1   2co8.mr   .   .    DYANA/DIANA   5    distance                  NOE                   simple              0   parsed_2co8   1   
        1   2co8.mr   .   .   "MR format"    6   "nomenclature mapping"    "Not applicable"      "Not applicable"     0   parsed_2co8   1   
    stop_

save_


save_DYANA/DIANA_dihedral_2
    _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints 
    _Torsion_angle_constraint_list.Entry_ID            parsed_2co8 
    _Torsion_angle_constraint_list.ID                  1 
    _Torsion_angle_constraint_list.Constraint_file_ID  1 
    _Torsion_angle_constraint_list.Block_ID            2 
    _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   CHI1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    150.0    210.0   .   .   18   CYSS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2co8   1   
         2   CHI1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     30.0     90.0   .   .   21   CYSS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2co8   1   
         3   CHI1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0    -30.0   .   .   39   HIST   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2co8   1   
         4   CHI1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0    -30.0   .   .   42   CYSS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2co8   1   
         5   CHI1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    150.0    210.0   .   .   45   CYSS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2co8   1   
         6   CHI1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     30.0     90.0   .   .   48   CYSS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2co8   1   
         7   CHI1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     30.0     90.0   .   .   68   CYSS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2co8   1   
         8   CHI1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0    -30.0   .   .   71   HIST   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2co8   1   
         9   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -143.0    -83.0   .   .   31   LEU    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2co8   1   
        10   PSI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     94.0    154.0   .   .   31   LEU    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2co8   1   
        11   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -128.0    -68.0   .   .   32   CYS    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2co8   1   
        12   PSI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     91.0    151.0   .   .   32   CYS    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2co8   1   
        13   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -133.0    -73.0   .   .   33   VAL    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2co8   1   
        14   PSI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     87.0    147.0   .   .   33   VAL    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2co8   1   
        15   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -134.0    -74.0   .   .   36   HIS    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2co8   1   
        16   PSI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    126.0    186.0   .   .   36   HIS    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2co8   1   
        17   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -143.0    -83.0   .   .   37   PHE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2co8   1   
        18   PSI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    122.0    182.0   .   .   37   PHE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2co8   1   
        19   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -147.0    -87.0   .   .   38   PHE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2co8   1   
        20   PSI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    129.0    189.0   .   .   38   PHE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2co8   1   
        21   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -158.0    -98.0   .   .   57   TYR    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2co8   1   
        22   PSI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    126.0    186.0   .   .   57   TYR    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2co8   1   
        23   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -161.0   -101.0   .   .   58   GLU    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2co8   1   
        24   PSI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    106.0    166.0   .   .   58   GLU    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2co8   1   
        25   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -134.0    -74.0   .   .   59   GLN    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2co8   1   
        26   PSI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     89.0    149.0   .   .   59   GLN    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2co8   1   
        27   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -151.0    -91.0   .   .   66   PHE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2co8   1   
        28   PSI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    120.0    180.0   .   .   66   PHE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2co8   1   
        29   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -150.0    -90.0   .   .   67   TYR    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2co8   1   
        30   PSI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    114.0    174.0   .   .   67   TYR    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2co8   1   
        31   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -126.0    -66.0   .   .   68   CYSS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2co8   1   
        32   PSI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    127.0    187.0   .   .   68   CYSS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2co8   1   
    stop_

save_





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