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
646244 6uck 50007 cing 2-parsed STAR distance hydrogen bond simple


data_6uck_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_6uck 
    _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_6uck   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_6uck 
    _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   6uck   "Master copy"    parsed_6uck   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_6uck 
    _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   6uck.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"    0   parsed_6uck   1   
        1   6uck.mr   .   .    XPLOR/CNS     2    distance                 "hydrogen bond"      simple             0   parsed_6uck   1   
        1   6uck.mr   .   .    XPLOR/CNS     3    distance                  NOE                 ambi               0   parsed_6uck   1   
        1   6uck.mr   .   .    XPLOR/CNS     4   "dihedral angle"          "Not applicable"    "Not applicable"    0   parsed_6uck   1   
        1   6uck.mr   .   .    XPLOR/CNS     5   "dipolar coupling"        "Not applicable"    "Not applicable"    0   parsed_6uck   1   
        1   6uck.mr   .   .   "MR format"    6   "nomenclature mapping"    "Not applicable"    "Not applicable"    0   parsed_6uck   1   
    stop_

save_


save_CNS/XPLOR_distance_constraints_2
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_6uck 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type    "hydrogen bond" 
    _Distance_constraint_list.Constraint_file_ID  1 
    _Distance_constraint_list.Block_ID            2 
    _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   "# Restraints file 1: hbdb_list.inp"                                  1   1    1    34   parsed_6uck   1   
         2   "assi	(acc	and	resi	16	and	name	O)	(don	and	resi	20	and	name	HN)"     2   1    2   115   parsed_6uck   1   
         3   "assi	(acc	and	resi	17	and	name	O)	(don	and	resi	21	and	name	HN)"     3   1    3   115   parsed_6uck   1   
         4   "assi	(acc	and	resi	18	and	name	O)	(don	and	resi	22	and	name	HN)"     4   1    4   115   parsed_6uck   1   
         5   "assi	(acc	and	resi	19	and	name	O)	(don	and	resi	23	and	name	HN)"     5   1    5   115   parsed_6uck   1   
         6   "assi	(acc	and	resi	20	and	name	O)	(don	and	resi	24	and	name	HN)"     6   1    6   115   parsed_6uck   1   
         7   "assi	(acc	and	resi	21	and	name	O)	(don	and	resi	25	and	name	HN)"     7   1    7   115   parsed_6uck   1   
         8   "assi	(acc	and	resi	22	and	name	O)	(don	and	resi	26	and	name	HN)"     8   1    8   115   parsed_6uck   1   
         9   "assi	(acc	and	resi	23	and	name	O)	(don	and	resi	27	and	name	HN)"     9   1    9   115   parsed_6uck   1   
        10   "assi	(acc	and	resi	24	and	name	O)	(don	and	resi	28	and	name	HN)"    10   1   10   115   parsed_6uck   1   
        11   "assi	(acc	and	resi	32	and	name	O)	(don	and	resi	36	and	name	HN)"    11   1   11   115   parsed_6uck   1   
        12   "assi	(acc	and	resi	33	and	name	O)	(don	and	resi	37	and	name	HN)"    12   1   12   115   parsed_6uck   1   
        13   "assi	(acc	and	resi	34	and	name	O)	(don	and	resi	38	and	name	HN)"    13   1   13   115   parsed_6uck   1   
        14   "assi	(acc	and	resi	35	and	name	O)	(don	and	resi	39	and	name	HN)"    14   1   14   115   parsed_6uck   1   
        15   "assi	(acc	and	resi	51	and	name	O)	(don	and	resi	55	and	name	HN)"    15   1   15   115   parsed_6uck   1   
        16   "assi	(acc	and	resi	52	and	name	O)	(don	and	resi	56	and	name	HN)"    16   1   16   115   parsed_6uck   1   
        17   "assi	(acc	and	resi	53	and	name	O)	(don	and	resi	57	and	name	HN)"    17   1   17   115   parsed_6uck   1   
        18   "assi	(acc	and	resi	54	and	name	O)	(don	and	resi	58	and	name	HN)"    18   1   18   115   parsed_6uck   1   
        19   "assi	(acc	and	resi	55	and	name	O)	(don	and	resi	59	and	name	HN)"    19   1   19   115   parsed_6uck   1   
        20   "assi	(acc	and	resi	61	and	name	O)	(don	and	resi	64	and	name	HN)"    20   1   20   115   parsed_6uck   1   
        21   "assi	(acc	and	resi	61	and	name	O)	(don	and	resi	65	and	name	HN)"    21   1   21   115   parsed_6uck   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. Sunday, May 12, 2024 10:47:38 PM GMT (wattos1)