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 subtype subsubtype
531447 2lel 17716 cing 2-parsed STAR distance hydrogen bond simple


data_2lel_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2lel 
    _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_2lel   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2lel 
    _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   2lel   "Master copy"    parsed_2lel   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2lel 
    _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   2lel.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"       0   parsed_2lel   1   
        1   2lel.mr   .   .    XPLOR/CNS     2    distance                  NOE                 simple             1292   parsed_2lel   1   
        1   2lel.mr   .   .    XPLOR/CNS     3   "dihedral angle"          "Not applicable"    "Not applicable"      73   parsed_2lel   1   
        1   2lel.mr   .   .    XPLOR/CNS     4    distance                 "hydrogen bond"      simple                0   parsed_2lel   1   
        1   2lel.mr   .   .   "MR format"    5   "nomenclature mapping"    "Not applicable"    "Not applicable"       0   parsed_2lel   1   
    stop_

save_


save_CNS/XPLOR_distance_constraints_4
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_2lel 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type    "hydrogen bond" 
    _Distance_constraint_list.Constraint_file_ID  1 
    _Distance_constraint_list.Block_ID            4 
    _Distance_constraint_list.Details            "Generated by Wattos" 

    loop_
        _Dist_constraint_parse_err.ID 
        _Dist_constraint_parse_err.Content 
        _Dist_constraint_parse_err.Begin_line 
        _Dist_constraint_parse_err.Begin_column 
        _Dist_constraint_parse_err.End_line 
        _Dist_constraint_parse_err.End_column 
        _Dist_constraint_parse_err.Entry_ID 
        _Dist_constraint_parse_err.Distance_constraint_list_ID 

         1   "assign (resid   10 and name N    ) (resid   10 and name HN   ) (resid   18 and name O    )"     1   1    1   90   parsed_2lel   1   
         2   "assign (resid   12 and name N    ) (resid   12 and name HN   ) (resid   16 and name O    )"     2   1    2   90   parsed_2lel   1   
         3   "assign (resid   18 and name N    ) (resid   18 and name HN   ) (resid   10 and name O    )"     3   1    3   90   parsed_2lel   1   
         4   "assign (resid   16 and name N    ) (resid   16 and name HN   ) (resid   12 and name O    )"     4   1    4   90   parsed_2lel   1   
         5   "assign (resid   17 and name N    ) (resid   17 and name HN   ) (resid   29 and name O    )"     5   1    5   90   parsed_2lel   1   
         6   "assign (resid   29 and name N    ) (resid   29 and name HN   ) (resid   17 and name O    )"     6   1    6   90   parsed_2lel   1   
         7   "assign (resid   19 and name N    ) (resid   19 and name HN   ) (resid   27 and name O    )"     7   1    7   90   parsed_2lel   1   
         8   "assign (resid   25 and name N    ) (resid   25 and name HN   ) (resid   21 and name O    )"     8   1    8   90   parsed_2lel   1   
         9   "assign (resid   27 and name N    ) (resid   27 and name HN   ) (resid   19 and name O    )"     9   1    9   90   parsed_2lel   1   
        10   "assign (resid   42 and name N    ) (resid   42 and name HN   ) (resid   54 and name O    )"    10   1   10   90   parsed_2lel   1   
        11   "assign (resid   54 and name N    ) (resid   54 and name HN   ) (resid   42 and name O    )"    11   1   11   90   parsed_2lel   1   
        12   "assign (resid   44 and name N    ) (resid   44 and name HN   ) (resid   52 and name O    )"    12   1   12   90   parsed_2lel   1   
        13   "assign (resid   52 and name N    ) (resid   52 and name HN   ) (resid   44 and name O    )"    13   1   13   90   parsed_2lel   1   
        14   "assign (resid   46 and name N    ) (resid   46 and name HN   ) (resid   50 and name O    )"    14   1   14   90   parsed_2lel   1   
        15   "assign (resid   50 and name N    ) (resid   50 and name HN   ) (resid   46 and name O    )"    15   1   15   90   parsed_2lel   1   
    stop_

save_





Please acknowledge these references in publications where the data from this site have been utilized.

Contact the webmaster for help, if required. Thursday, May 23, 2024 11:02:36 PM GMT (wattos1)