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
28775 149d cing 2-parsed STAR distance NOE not seen simple 37


data_149d_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_149d 
    _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_149d   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_149d 
    _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   149d   "Master copy"    parsed_149d   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_149d 
    _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   149d.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"      0   parsed_149d   1   
        1   149d.mr   .   .    XPLOR/CNS     2    distance                  NOE                 simple             226   parsed_149d   1   
        1   149d.mr   .   .    XPLOR/CNS     3    distance                  NOE                 simple              94   parsed_149d   1   
        1   149d.mr   .   .    XPLOR/CNS     4    distance                  NOE                 simple              52   parsed_149d   1   
        1   149d.mr   .   .    XPLOR/CNS     5    distance                 "hydrogen bond"      simple              58   parsed_149d   1   
        1   149d.mr   .   .    XPLOR/CNS     6    distance                 "NOE not seen"       simple              37   parsed_149d   1   
        1   149d.mr   .   .    XPLOR/CNS     7    distance                 "NOE build-up"       simple               0   parsed_149d   1   
        1   149d.mr   .   .    XPLOR/CNS     8   "dihedral angle"          "Not applicable"    "Not applicable"      0   parsed_149d   1   
        1   149d.mr   .   .   "MR format"    9   "nomenclature mapping"    "Not applicable"    "Not applicable"      0   parsed_149d   1   
    stop_

save_


save_CNS/XPLOR_distance_constraints_6
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_149d 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type    "NOE not seen" 
    _Distance_constraint_list.Constraint_file_ID  1 
    _Distance_constraint_list.Block_ID            6 
    _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_149d   1   
         2   1   .   .   .   parsed_149d   1   
         3   1   .   .   .   parsed_149d   1   
         4   1   .   .   .   parsed_149d   1   
         5   1   .   .   .   parsed_149d   1   
         6   1   .   .   .   parsed_149d   1   
         7   1   .   .   .   parsed_149d   1   
         8   1   .   .   .   parsed_149d   1   
         9   1   .   .   .   parsed_149d   1   
        10   1   .   .   .   parsed_149d   1   
        11   1   .   .   .   parsed_149d   1   
        12   1   .   .   .   parsed_149d   1   
        13   1   .   .   .   parsed_149d   1   
        14   1   .   .   .   parsed_149d   1   
        15   1   .   .   .   parsed_149d   1   
        16   1   .   .   .   parsed_149d   1   
        17   1   .   .   .   parsed_149d   1   
        18   1   .   .   .   parsed_149d   1   
        19   1   .   .   .   parsed_149d   1   
        20   1   .   .   .   parsed_149d   1   
        21   1   .   .   .   parsed_149d   1   
        22   1   .   .   .   parsed_149d   1   
        23   1   .   .   .   parsed_149d   1   
        24   1   .   .   .   parsed_149d   1   
        25   1   .   .   .   parsed_149d   1   
        26   1   .   .   .   parsed_149d   1   
        27   1   .   .   .   parsed_149d   1   
        28   1   .   .   .   parsed_149d   1   
        29   1   .   .   .   parsed_149d   1   
        30   1   .   .   .   parsed_149d   1   
        31   1   .   .   .   parsed_149d   1   
        32   1   .   .   .   parsed_149d   1   
        33   1   .   .   .   parsed_149d   1   
        34   1   .   .   .   parsed_149d   1   
        35   1   .   .   .   parsed_149d   1   
        36   1   .   .   .   parsed_149d   1   
        37   1   .   .   .   parsed_149d   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   .   .   .   .   .   .   .   .   GTA1    1   .   H2''   parsed_149d   1   
         1   1   2   .   .   .   .   .   .   .   .   GTA1    3   .   H5#    parsed_149d   1   
         2   1   1   .   .   .   .   .   .   .   .   GTA1    1   .   H6     parsed_149d   1   
         2   1   2   .   .   .   .   .   .   .   .   GTA3   19   .   H5#    parsed_149d   1   
         3   1   1   .   .   .   .   .   .   .   .   GTA1    1   .   H41    parsed_149d   1   
         3   1   2   .   .   .   .   .   .   .   .   GTA3   19   .   H5#    parsed_149d   1   
         4   1   1   .   .   .   .   .   .   .   .   GTA1    1   .   H5     parsed_149d   1   
         4   1   2   .   .   .   .   .   .   .   .   GTA3   19   .   H5#    parsed_149d   1   
         5   1   1   .   .   .   .   .   .   .   .   GTA1    2   .   H5     parsed_149d   1   
         5   1   2   .   .   .   .   .   .   .   .   GTA3   17   .   H5#    parsed_149d   1   
         6   1   1   .   .   .   .   .   .   .   .   GTA1    2   .   H41    parsed_149d   1   
         6   1   2   .   .   .   .   .   .   .   .   GTA3   18   .   H1     parsed_149d   1   
         7   1   1   .   .   .   .   .   .   .   .   GTA1    2   .   H42    parsed_149d   1   
         7   1   2   .   .   .   .   .   .   .   .   GTA3   18   .   H1     parsed_149d   1   
         8   1   1   .   .   .   .   .   .   .   .   GTA1    2   .   H41    parsed_149d   1   
         8   1   2   .   .   .   .   .   .   .   .   GTA3   19   .   H5#    parsed_149d   1   
         9   1   1   .   .   .   .   .   .   .   .   GTA1    2   .   H42    parsed_149d   1   
         9   1   2   .   .   .   .   .   .   .   .   GTA3   19   .   H5#    parsed_149d   1   
        10   1   1   .   .   .   .   .   .   .   .   GTA1    3   .   H2'    parsed_149d   1   
        10   1   2   .   .   .   .   .   .   .   .   GTA1    5   .   H5#    parsed_149d   1   
        11   1   1   .   .   .   .   .   .   .   .   GTA1    3   .   H2''   parsed_149d   1   
        11   1   2   .   .   .   .   .   .   .   .   GTA1    5   .   H5#    parsed_149d   1   
        12   1   1   .   .   .   .   .   .   .   .   GTA1    3   .   H1'    parsed_149d   1   
        12   1   2   .   .   .   .   .   .   .   .   GTA2   12   .   H2     parsed_149d   1   
        13   1   1   .   .   .   .   .   .   .   .   GTA1    3   .   H5#    parsed_149d   1   
        13   1   2   .   .   .   .   .   .   .   .   GTA3   16   .   H6     parsed_149d   1   
        14   1   1   .   .   .   .   .   .   .   .   GTA1    4   .   H61    parsed_149d   1   
        14   1   2   .   .   .   .   .   .   .   .   GTA3   16   .   H5#    parsed_149d   1   
        15   1   1   .   .   .   .   .   .   .   .   GTA1    4   .   H62    parsed_149d   1   
        15   1   2   .   .   .   .   .   .   .   .   GTA3   16   .   H5#    parsed_149d   1   
        16   1   1   .   .   .   .   .   .   .   .   GTA1    4   .   H62    parsed_149d   1   
        16   1   2   .   .   .   .   .   .   .   .   GTA3   17   .   H5#    parsed_149d   1   
        17   1   1   .   .   .   .   .   .   .   .   GTA1    4   .   H62    parsed_149d   1   
        17   1   2   .   .   .   .   .   .   .   .   GTA3   19   .   H5#    parsed_149d   1   
        18   1   1   .   .   .   .   .   .   .   .   GTA1    5   .   H5#    parsed_149d   1   
        18   1   2   .   .   .   .   .   .   .   .   GTA2   10   .   H61    parsed_149d   1   
        19   1   1   .   .   .   .   .   .   .   .   GTA1    5   .   H5#    parsed_149d   1   
        19   1   2   .   .   .   .   .   .   .   .   GTA3   15   .   H41    parsed_149d   1   
        20   1   1   .   .   .   .   .   .   .   .   GTA1    5   .   H5#    parsed_149d   1   
        20   1   2   .   .   .   .   .   .   .   .   GTA3   15   .   H42    parsed_149d   1   
        21   1   1   .   .   .   .   .   .   .   .   GTA1    5   .   H5#    parsed_149d   1   
        21   1   2   .   .   .   .   .   .   .   .   GTA3   15   .   H6     parsed_149d   1   
        22   1   1   .   .   .   .   .   .   .   .   GTA1    5   .   H5#    parsed_149d   1   
        22   1   2   .   .   .   .   .   .   .   .   GTA3   16   .   H5#    parsed_149d   1   
        23   1   1   .   .   .   .   .   .   .   .   GTA2    8   .   H8     parsed_149d   1   
        23   1   2   .   .   .   .   .   .   .   .   GTA3   15   .   H1'    parsed_149d   1   
        24   1   1   .   .   .   .   .   .   .   .   GTA2   10   .   H62    parsed_149d   1   
        24   1   2   .   .   .   .   .   .   .   .   GTA2   11   .   H5#    parsed_149d   1   
        25   1   1   .   .   .   .   .   .   .   .   GTA2   10   .   H62    parsed_149d   1   
        25   1   2   .   .   .   .   .   .   .   .   GTA3   17   .   H5#    parsed_149d   1   
        26   1   1   .   .   .   .   .   .   .   .   GTA2   11   .   H6     parsed_149d   1   
        26   1   2   .   .   .   .   .   .   .   .   GTA3   18   .   H1'    parsed_149d   1   
        27   1   1   .   .   .   .   .   .   .   .   GTA2   11   .   H5#    parsed_149d   1   
        27   1   2   .   .   .   .   .   .   .   .   GTA3   19   .   H1'    parsed_149d   1   
        28   1   1   .   .   .   .   .   .   .   .   GTA2   12   .   H61    parsed_149d   1   
        28   1   2   .   .   .   .   .   .   .   .   GTA3   17   .   H5#    parsed_149d   1   
        29   1   1   .   .   .   .   .   .   .   .   GTA2   12   .   H61    parsed_149d   1   
        29   1   2   .   .   .   .   .   .   .   .   GTA3   19   .   H5#    parsed_149d   1   
        30   1   1   .   .   .   .   .   .   .   .   GTA2   12   .   H62    parsed_149d   1   
        30   1   2   .   .   .   .   .   .   .   .   GTA3   19   .   H5#    parsed_149d   1   
        31   1   1   .   .   .   .   .   .   .   .   GTA3   19   .   H5#    parsed_149d   1   
        31   1   2   .   .   .   .   .   .   .   .   GTA3   20   .   H6     parsed_149d   1   
        32   1   1   .   .   .   .   .   .   .   .   GTA2   12   .   H2''   parsed_149d   1   
        32   1   2   .   .   .   .   .   .   .   .   GTA3   20   .   H1'    parsed_149d   1   
        33   1   1   .   .   .   .   .   .   .   .   GTA2   11   .   H2''   parsed_149d   1   
        33   1   2   .   .   .   .   .   .   .   .   GTA3   20   .   H1'    parsed_149d   1   
        34   1   1   .   .   .   .   .   .   .   .   GTA2   12   .   H3'    parsed_149d   1   
        34   1   2   .   .   .   .   .   .   .   .   GTA3   20   .   H1'    parsed_149d   1   
        35   1   1   .   .   .   .   .   .   .   .   GTA2   12   .   H2''   parsed_149d   1   
        35   1   2   .   .   .   .   .   .   .   .   GTA3   21   .   H1'    parsed_149d   1   
        36   1   1   .   .   .   .   .   .   .   .   GTA2   13   .   H2''   parsed_149d   1   
        36   1   2   .   .   .   .   .   .   .   .   GTA3   21   .   H1'    parsed_149d   1   
        37   1   1   .   .   .   .   .   .   .   .   GTA2   13   .   H2'    parsed_149d   1   
        37   1   2   .   .   .   .   .   .   .   .   GTA3   21   .   H1'    parsed_149d   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   .   .   .   .   .   5.10   5.00   105.00   parsed_149d   1   
         2   1   .   .   .   .   .   5.10   5.00   105.00   parsed_149d   1   
         3   1   .   .   .   .   .   5.10   5.00   105.00   parsed_149d   1   
         4   1   .   .   .   .   .   5.10   5.00   105.00   parsed_149d   1   
         5   1   .   .   .   .   .   5.10   5.00   105.00   parsed_149d   1   
         6   1   .   .   .   .   .   4.60   4.50   104.50   parsed_149d   1   
         7   1   .   .   .   .   .   4.60   4.50   104.50   parsed_149d   1   
         8   1   .   .   .   .   .   5.10   5.00   105.00   parsed_149d   1   
         9   1   .   .   .   .   .   5.10   5.00   105.00   parsed_149d   1   
        10   1   .   .   .   .   .   5.10   5.00   105.00   parsed_149d   1   
        11   1   .   .   .   .   .   5.10   5.00   105.00   parsed_149d   1   
        12   1   .   .   .   .   .   4.60   4.50   104.50   parsed_149d   1   
        13   1   .   .   .   .   .   5.10   5.00   105.00   parsed_149d   1   
        14   1   .   .   .   .   .   5.10   5.00   105.00   parsed_149d   1   
        15   1   .   .   .   .   .   5.10   5.00   105.00   parsed_149d   1   
        16   1   .   .   .   .   .   5.10   5.00   105.00   parsed_149d   1   
        17   1   .   .   .   .   .   5.10   5.00   105.00   parsed_149d   1   
        18   1   .   .   .   .   .   5.10   5.00   105.00   parsed_149d   1   
        19   1   .   .   .   .   .   5.10   5.00   105.00   parsed_149d   1   
        20   1   .   .   .   .   .   5.10   5.00   105.00   parsed_149d   1   
        21   1   .   .   .   .   .   5.10   5.00   105.00   parsed_149d   1   
        22   1   .   .   .   .   .   5.10   5.00   105.00   parsed_149d   1   
        23   1   .   .   .   .   .   4.60   4.50   104.50   parsed_149d   1   
        24   1   .   .   .   .   .   5.10   5.00   105.00   parsed_149d   1   
        25   1   .   .   .   .   .   5.10   5.00   105.00   parsed_149d   1   
        26   1   .   .   .   .   .   4.60   4.50   104.50   parsed_149d   1   
        27   1   .   .   .   .   .   5.10   5.00   105.00   parsed_149d   1   
        28   1   .   .   .   .   .   5.10   5.00   105.00   parsed_149d   1   
        29   1   .   .   .   .   .   5.10   5.00   105.00   parsed_149d   1   
        30   1   .   .   .   .   .   5.10   5.00   105.00   parsed_149d   1   
        31   1   .   .   .   .   .   5.10   5.00   105.00   parsed_149d   1   
        32   1   .   .   .   .   .   4.60   4.50   104.50   parsed_149d   1   
        33   1   .   .   .   .   .   4.60   4.50   104.50   parsed_149d   1   
        34   1   .   .   .   .   .   4.60   4.50   104.50   parsed_149d   1   
        35   1   .   .   .   .   .   4.60   4.50   104.50   parsed_149d   1   
        36   1   .   .   .   .   .   4.60   4.50   104.50   parsed_149d   1   
        37   1   .   .   .   .   .   4.60   4.50   104.50   parsed_149d   1   
    stop_


    loop_
        _Dist_constraint_comment_org.ID 
        _Dist_constraint_comment_org.Comment_text 
        _Dist_constraint_comment_org.Comment_begin_line 
        _Dist_constraint_comment_org.Comment_begin_column 
        _Dist_constraint_comment_org.Comment_end_line 
        _Dist_constraint_comment_org.Comment_end_column 
        _Dist_constraint_comment_org.Entry_ID 
        _Dist_constraint_comment_org.Distance_constraint_list_ID 

        1   
;
TABLE 5
`REPULSIVE DISTANCE RESTRAINTS' BASED ON UNOBSERVABLE NOE'S
;
   1   1   4   7   parsed_149d   1   
    stop_

save_





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Contact the webmaster for help, if required. Saturday, October 20, 2018 9:26:54 PM CDT (wattos1)