NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id cing stage program type subtype subsubtype item_count
32577 1gcc cing 2-parsed STAR distance NOE simple 37


data_1gcc_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1gcc 
    _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_1gcc   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1gcc 
    _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   1gcc   "Master copy"    parsed_1gcc   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1gcc 
    _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   1gcc.mr   .   .   "MR format"     1    comment                  "Not applicable"    "Not applicable"      0   parsed_1gcc   1   
        1   1gcc.mr   .   .    n/a            2    comment                  "Not applicable"    "Not applicable"      0   parsed_1gcc   1   
        1   1gcc.mr   .   .    XPLOR/CNS      3    distance                  NOE                 simple             994   parsed_1gcc   1   
        1   1gcc.mr   .   .    n/a            4    comment                  "Not applicable"    "Not applicable"      0   parsed_1gcc   1   
        1   1gcc.mr   .   .    XPLOR/CNS      5    distance                  NOE                 simple             541   parsed_1gcc   1   
        1   1gcc.mr   .   .    n/a            6    comment                  "Not applicable"    "Not applicable"      0   parsed_1gcc   1   
        1   1gcc.mr   .   .    XPLOR/CNS      7    distance                  NOE                 simple              37   parsed_1gcc   1   
        1   1gcc.mr   .   .    n/a            8    comment                  "Not applicable"    "Not applicable"      0   parsed_1gcc   1   
        1   1gcc.mr   .   .    XPLOR/CNS      9    distance                 "hydrogen bond"      simple               0   parsed_1gcc   1   
        1   1gcc.mr   .   .    n/a           10    comment                  "Not applicable"    "Not applicable"      0   parsed_1gcc   1   
        1   1gcc.mr   .   .    XPLOR/CNS     11    distance                 "hydrogen bond"      simple               0   parsed_1gcc   1   
        1   1gcc.mr   .   .    n/a           12    comment                  "Not applicable"    "Not applicable"      0   parsed_1gcc   1   
        1   1gcc.mr   .   .    XPLOR/CNS     13   "dihedral angle"          "Not applicable"    "Not applicable"      0   parsed_1gcc   1   
        1   1gcc.mr   .   .    n/a           14    comment                  "Not applicable"    "Not applicable"      0   parsed_1gcc   1   
        1   1gcc.mr   .   .    XPLOR/CNS     15   "dihedral angle"          "Not applicable"    "Not applicable"      0   parsed_1gcc   1   
        1   1gcc.mr   .   .   "MR format"    16   "nomenclature mapping"    "Not applicable"    "Not applicable"      0   parsed_1gcc   1   
    stop_

save_


save_CNS/XPLOR_distance_constraints_7
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_1gcc 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type     NOE 
    _Distance_constraint_list.Constraint_file_ID  1 
    _Distance_constraint_list.Block_ID            7 
    _Distance_constraint_list.Details            "Generated by Wattos" 

    loop_
        _Dist_constraint_tree.Constraint_ID 
        _Dist_constraint_tree.Node_ID 
        _Dist_constraint_tree.Down_node_ID 
        _Dist_constraint_tree.Right_node_ID 
        _Dist_constraint_tree.Logic_operation 
        _Dist_constraint_tree.Entry_ID 
        _Dist_constraint_tree.Distance_constraint_list_ID 

         1   1   .   .   .   parsed_1gcc   1   
         2   1   .   .   .   parsed_1gcc   1   
         3   1   .   .   .   parsed_1gcc   1   
         4   1   .   .   .   parsed_1gcc   1   
         5   1   .   .   .   parsed_1gcc   1   
         6   1   .   .   .   parsed_1gcc   1   
         7   1   .   .   .   parsed_1gcc   1   
         8   1   .   .   .   parsed_1gcc   1   
         9   1   .   .   .   parsed_1gcc   1   
        10   1   .   .   .   parsed_1gcc   1   
        11   1   .   .   .   parsed_1gcc   1   
        12   1   .   .   .   parsed_1gcc   1   
        13   1   .   .   .   parsed_1gcc   1   
        14   1   .   .   .   parsed_1gcc   1   
        15   1   .   .   .   parsed_1gcc   1   
        16   1   .   .   .   parsed_1gcc   1   
        17   1   .   .   .   parsed_1gcc   1   
        18   1   .   .   .   parsed_1gcc   1   
        19   1   .   .   .   parsed_1gcc   1   
        20   1   .   .   .   parsed_1gcc   1   
        21   1   .   .   .   parsed_1gcc   1   
        22   1   .   .   .   parsed_1gcc   1   
        23   1   .   .   .   parsed_1gcc   1   
        24   1   .   .   .   parsed_1gcc   1   
        25   1   .   .   .   parsed_1gcc   1   
        26   1   .   .   .   parsed_1gcc   1   
        27   1   .   .   .   parsed_1gcc   1   
        28   1   .   .   .   parsed_1gcc   1   
        29   1   .   .   .   parsed_1gcc   1   
        30   1   .   .   .   parsed_1gcc   1   
        31   1   .   .   .   parsed_1gcc   1   
        32   1   .   .   .   parsed_1gcc   1   
        33   1   .   .   .   parsed_1gcc   1   
        34   1   .   .   .   parsed_1gcc   1   
        35   1   .   .   .   parsed_1gcc   1   
        36   1   .   .   .   parsed_1gcc   1   
        37   1   .   .   .   parsed_1gcc   1   
    stop_


    loop_
        _Dist_constraint.Tree_node_member_constraint_ID 
        _Dist_constraint.Tree_node_member_node_ID 
        _Dist_constraint.Constraint_tree_node_member_ID 
        _Dist_constraint.Assembly_atom_ID 
        _Dist_constraint.Entity_assembly_ID 
        _Dist_constraint.Entity_ID 
        _Dist_constraint.Comp_index_ID 
        _Dist_constraint.Seq_ID 
        _Dist_constraint.Comp_ID 
        _Dist_constraint.Atom_ID 
        _Dist_constraint.Resonance_ID 
        _Dist_constraint.Auth_asym_ID 
        _Dist_constraint.Auth_seq_ID 
        _Dist_constraint.Auth_comp_ID 
        _Dist_constraint.Auth_atom_ID 
        _Dist_constraint.Entry_ID 
        _Dist_constraint.Distance_constraint_list_ID 

         1   1   1   .   .   .   .   .   .   .   .   .     3   .   H2'    parsed_1gcc   1   
         1   1   2   .   .   .   .   .   .   .   .   .   154   .   HE1    parsed_1gcc   1   
         2   1   1   .   .   .   .   .   .   .   .   .     3   .   H2'    parsed_1gcc   1   
         2   1   2   .   .   .   .   .   .   .   .   .   154   .   HZ2    parsed_1gcc   1   
         3   1   1   .   .   .   .   .   .   .   .   .     3   .   H2''   parsed_1gcc   1   
         3   1   2   .   .   .   .   .   .   .   .   .   154   .   HZ2    parsed_1gcc   1   
         4   1   1   .   .   .   .   .   .   .   .   .     3   .   H6     parsed_1gcc   1   
         4   1   2   .   .   .   .   .   .   .   .   .   154   .   HZ2    parsed_1gcc   1   
         5   1   1   .   .   .   .   .   .   .   .   .     3   .   H5#    parsed_1gcc   1   
         5   1   2   .   .   .   .   .   .   .   .   .   154   .   HZ3    parsed_1gcc   1   
         6   1   1   .   .   .   .   .   .   .   .   .     4   .   H8     parsed_1gcc   1   
         6   1   2   .   .   .   .   .   .   .   .   .   154   .   HZ2    parsed_1gcc   1   
         7   1   1   .   .   .   .   .   .   .   .   .     4   .   H2'    parsed_1gcc   1   
         7   1   2   .   .   .   .   .   .   .   .   .   172   .   HE1    parsed_1gcc   1   
         8   1   1   .   .   .   .   .   .   .   .   .     4   .   H2'    parsed_1gcc   1   
         8   1   2   .   .   .   .   .   .   .   .   .   172   .   HZ2    parsed_1gcc   1   
         9   1   1   .   .   .   .   .   .   .   .   .     4   .   H3'    parsed_1gcc   1   
         9   1   2   .   .   .   .   .   .   .   .   .   175   .   HB     parsed_1gcc   1   
        10   1   1   .   .   .   .   .   .   .   .   .     4   .   H3'    parsed_1gcc   1   
        10   1   2   .   .   .   .   .   .   .   .   .   175   .   HG2#   parsed_1gcc   1   
        11   1   1   .   .   .   .   .   .   .   .   .     5   .   H2''   parsed_1gcc   1   
        11   1   2   .   .   .   .   .   .   .   .   .   172   .   HD1    parsed_1gcc   1   
        12   1   1   .   .   .   .   .   .   .   .   .     5   .   H3'    parsed_1gcc   1   
        12   1   2   .   .   .   .   .   .   .   .   .   172   .   HE1    parsed_1gcc   1   
        13   1   1   .   .   .   .   .   .   .   .   .     5   .   H8     parsed_1gcc   1   
        13   1   2   .   .   .   .   .   .   .   .   .   172   .   HE1    parsed_1gcc   1   
        14   1   1   .   .   .   .   .   .   .   .   .     5   .   H8     parsed_1gcc   1   
        14   1   2   .   .   .   .   .   .   .   .   .   172   .   HZ2    parsed_1gcc   1   
        15   1   1   .   .   .   .   .   .   .   .   .     5   .   H8     parsed_1gcc   1   
        15   1   2   .   .   .   .   .   .   .   .   .   172   .   HH2    parsed_1gcc   1   
        16   1   1   .   .   .   .   .   .   .   .   .     6   .   HN''   parsed_1gcc   1   
        16   1   2   .   .   .   .   .   .   .   .   .   172   .   HZ3    parsed_1gcc   1   
        17   1   1   .   .   .   .   .   .   .   .   .     6   .   HN''   parsed_1gcc   1   
        17   1   2   .   .   .   .   .   .   .   .   .   172   .   HH2    parsed_1gcc   1   
        18   1   1   .   .   .   .   .   .   .   .   .     6   .   H5     parsed_1gcc   1   
        18   1   2   .   .   .   .   .   .   .   .   .   172   .   HE3    parsed_1gcc   1   
        19   1   1   .   .   .   .   .   .   .   .   .     6   .   H5     parsed_1gcc   1   
        19   1   2   .   .   .   .   .   .   .   .   .   172   .   HZ3    parsed_1gcc   1   
        20   1   1   .   .   .   .   .   .   .   .   .     6   .   H5     parsed_1gcc   1   
        20   1   2   .   .   .   .   .   .   .   .   .   172   .   HH2    parsed_1gcc   1   
        21   1   1   .   .   .   .   .   .   .   .   .     6   .   H6     parsed_1gcc   1   
        21   1   2   .   .   .   .   .   .   .   .   .   172   .   HB2    parsed_1gcc   1   
        22   1   1   .   .   .   .   .   .   .   .   .    16   .   H2''   parsed_1gcc   1   
        22   1   2   .   .   .   .   .   .   .   .   .   162   .   HE     parsed_1gcc   1   
        23   1   1   .   .   .   .   .   .   .   .   .    16   .   H3'    parsed_1gcc   1   
        23   1   2   .   .   .   .   .   .   .   .   .   162   .   HE     parsed_1gcc   1   
        24   1   1   .   .   .   .   .   .   .   .   .    16   .   H3'    parsed_1gcc   1   
        24   1   2   .   .   .   .   .   .   .   .   .   162   .   HD#    parsed_1gcc   1   
        25   1   1   .   .   .   .   .   .   .   .   .    16   .   H6     parsed_1gcc   1   
        25   1   2   .   .   .   .   .   .   .   .   .   162   .   HE     parsed_1gcc   1   
        26   1   1   .   .   .   .   .   .   .   .   .    16   .   H6     parsed_1gcc   1   
        26   1   2   .   .   .   .   .   .   .   .   .   162   .   HD#    parsed_1gcc   1   
        27   1   1   .   .   .   .   .   .   .   .   .    16   .   H5#    parsed_1gcc   1   
        27   1   2   .   .   .   .   .   .   .   .   .   162   .   HE     parsed_1gcc   1   
        28   1   1   .   .   .   .   .   .   .   .   .    16   .   H5#    parsed_1gcc   1   
        28   1   2   .   .   .   .   .   .   .   .   .   162   .   HD#    parsed_1gcc   1   
        29   1   1   .   .   .   .   .   .   .   .   .    17   .   H8     parsed_1gcc   1   
        29   1   2   .   .   .   .   .   .   .   .   .   162   .   HB#    parsed_1gcc   1   
        30   1   1   .   .   .   .   .   .   .   .   .    17   .   H8     parsed_1gcc   1   
        30   1   2   .   .   .   .   .   .   .   .   .   162   .   HE     parsed_1gcc   1   
        31   1   1   .   .   .   .   .   .   .   .   .    19   .   H5     parsed_1gcc   1   
        31   1   2   .   .   .   .   .   .   .   .   .   150   .   HG#    parsed_1gcc   1   
        32   1   1   .   .   .   .   .   .   .   .   .    19   .   H5     parsed_1gcc   1   
        32   1   2   .   .   .   .   .   .   .   .   .   150   .   HD#    parsed_1gcc   1   
        33   1   1   .   .   .   .   .   .   .   .   .    19   .   H6     parsed_1gcc   1   
        33   1   2   .   .   .   .   .   .   .   .   .   150   .   HD#    parsed_1gcc   1   
        34   1   1   .   .   .   .   .   .   .   .   .    22   .   HN'    parsed_1gcc   1   
        34   1   2   .   .   .   .   .   .   .   .   .   154   .   HZ2    parsed_1gcc   1   
        35   1   1   .   .   .   .   .   .   .   .   .    22   .   HN''   parsed_1gcc   1   
        35   1   2   .   .   .   .   .   .   .   .   .   154   .   HZ2    parsed_1gcc   1   
        36   1   1   .   .   .   .   .   .   .   .   .    22   .   HN'    parsed_1gcc   1   
        36   1   2   .   .   .   .   .   .   .   .   .   154   .   HH2    parsed_1gcc   1   
        37   1   1   .   .   .   .   .   .   .   .   .    22   .   HN''   parsed_1gcc   1   
        37   1   2   .   .   .   .   .   .   .   .   .   154   .   HH2    parsed_1gcc   1   
    stop_


    loop_
        _Dist_constraint_value.Constraint_ID 
        _Dist_constraint_value.Tree_node_ID 
        _Dist_constraint_value.Source_experiment_ID 
        _Dist_constraint_value.Spectral_peak_ID 
        _Dist_constraint_value.Intensity_val 
        _Dist_constraint_value.Intensity_lower_val_err 
        _Dist_constraint_value.Intensity_upper_val_err 
        _Dist_constraint_value.Distance_val 
        _Dist_constraint_value.Distance_lower_bound_val 
        _Dist_constraint_value.Distance_upper_bound_val 
        _Dist_constraint_value.Entry_ID 
        _Dist_constraint_value.Distance_constraint_list_ID 

         1   1   .   .   .   .   .   5.00   1.80   6.00   parsed_1gcc   1   
         2   1   .   .   .   .   .   4.00   1.80   5.00   parsed_1gcc   1   
         3   1   .   .   .   .   .   4.00   1.80   5.00   parsed_1gcc   1   
         4   1   .   .   .   .   .   5.00   1.80   6.00   parsed_1gcc   1   
         5   1   .   .   .   .   .   5.00   1.80   6.00   parsed_1gcc   1   
         6   1   .   .   .   .   .   3.00   1.80   3.50   parsed_1gcc   1   
         7   1   .   .   .   .   .   5.00   1.80   6.00   parsed_1gcc   1   
         8   1   .   .   .   .   .   5.00   1.80   6.00   parsed_1gcc   1   
         9   1   .   .   .   .   .   4.00   1.80   5.00   parsed_1gcc   1   
        10   1   .   .   .   .   .   5.00   1.80   6.00   parsed_1gcc   1   
        11   1   .   .   .   .   .   5.00   1.80   6.00   parsed_1gcc   1   
        12   1   .   .   .   .   .   4.00   1.80   5.00   parsed_1gcc   1   
        13   1   .   .   .   .   .   4.00   1.80   5.00   parsed_1gcc   1   
        14   1   .   .   .   .   .   4.00   1.80   5.00   parsed_1gcc   1   
        15   1   .   .   .   .   .   4.00   1.80   5.00   parsed_1gcc   1   
        16   1   .   .   .   .   .   5.00   1.80   6.00   parsed_1gcc   1   
        17   1   .   .   .   .   .   4.00   1.80   5.00   parsed_1gcc   1   
        18   1   .   .   .   .   .   4.00   1.80   5.00   parsed_1gcc   1   
        19   1   .   .   .   .   .   4.00   1.80   5.00   parsed_1gcc   1   
        20   1   .   .   .   .   .   5.00   1.80   6.00   parsed_1gcc   1   
        21   1   .   .   .   .   .   5.00   1.80   6.00   parsed_1gcc   1   
        22   1   .   .   .   .   .   5.00   1.80   6.00   parsed_1gcc   1   
        23   1   .   .   .   .   .   5.00   1.80   6.00   parsed_1gcc   1   
        24   1   .   .   .   .   .   5.00   1.80   6.00   parsed_1gcc   1   
        25   1   .   .   .   .   .   5.00   1.80   6.00   parsed_1gcc   1   
        26   1   .   .   .   .   .   3.00   1.80   3.50   parsed_1gcc   1   
        27   1   .   .   .   .   .   4.00   1.80   5.00   parsed_1gcc   1   
        28   1   .   .   .   .   .   5.00   1.80   6.00   parsed_1gcc   1   
        29   1   .   .   .   .   .   5.00   2.80   6.00   parsed_1gcc   1   
        30   1   .   .   .   .   .   5.00   2.80   6.00   parsed_1gcc   1   
        31   1   .   .   .   .   .   5.00   1.80   6.00   parsed_1gcc   1   
        32   1   .   .   .   .   .   4.00   1.80   5.00   parsed_1gcc   1   
        33   1   .   .   .   .   .   3.00   1.80   3.50   parsed_1gcc   1   
        34   1   .   .   .   .   .   5.00   1.80   6.00   parsed_1gcc   1   
        35   1   .   .   .   .   .   4.00   1.80   5.00   parsed_1gcc   1   
        36   1   .   .   .   .   .   5.00   1.80   6.00   parsed_1gcc   1   
        37   1   .   .   .   .   .   5.00   1.80   6.00   parsed_1gcc   1   
    stop_

save_





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