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
	39316	1sy8	6186	cing	2-parsed	STAR	distance	hydrogen bond	simple

data_1sy8_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1sy8 
    _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_1sy8   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1sy8 
    _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   1sy8   "Master copy"    parsed_1sy8   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1sy8 
    _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   1sy8.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"      0   parsed_1sy8   1   
        1   1sy8.mr   .   .    DISCOVER      2    distance                  NOE                 simple             242   parsed_1sy8   1   
        1   1sy8.mr   .   .    DISCOVER      3    distance                 "hydrogen bond"      simple               0   parsed_1sy8   1   
        1   1sy8.mr   .   .   "MR format"    4   "nomenclature mapping"    "Not applicable"    "Not applicable"      0   parsed_1sy8   1   
    stop_

save_


save_Discover_distance_constraints_3
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_1sy8 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type    "hydrogen bond" 
    _Distance_constraint_list.Constraint_file_ID  1 
    _Distance_constraint_list.Block_ID            3 
    _Distance_constraint_list.Details            "Generated by Wattos" 

    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   
;
HYDROGEN BONDS
distance
;
   1   1   2   10   parsed_1sy8   1   
    stop_


    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   "1:T_1B:O4 1:A_6:N6 2.810 40.00 50.00 1000.000"     3   1    3   45   parsed_1sy8   1   
         2   "1:T_1B:N3 1:A_6:N1 2.950 40.00 50.00 1000.000"     4   1    4   45   parsed_1sy8   1   
         3   "1:G_2B:O6 1:C_5:N4 2.700 40.00 50.00 1000.000"     5   1    5   45   parsed_1sy8   1   
         4   "1:G_2B:N1 1:C_5:N3 2.910 40.00 50.00 1000.000"     6   1    6   45   parsed_1sy8   1   
         5   "1:G_2B:N2 1:C_5:O2 3.010 40.00 50.00 1000.000"     7   1    7   45   parsed_1sy8   1   
         6   "1:A_3B:N6 1:T_4:O4 2.810 40.00 50.00 1000.000"     8   1    8   45   parsed_1sy8   1   
         7   "1:A_3B:N1 1:T_4:N3 2.950 40.00 50.00 1000.000"     9   1    9   45   parsed_1sy8   1   
         8   "1:T_4B:O4 1:A_3:N6 2.810 40.00 50.00 1000.000"    10   1   10   45   parsed_1sy8   1   
         9   "1:T_4B:N3 1:A_3:N1 2.950 40.00 50.00 1000.000"    11   1   11   45   parsed_1sy8   1   
        10   "1:C_5B:N4 1:G_2:O6 2.700 40.00 50.00 1000.000"    12   1   12   45   parsed_1sy8   1   
        11   "1:C_5B:N3 1:G_2:N1 2.910 40.00 50.00 1000.000"    13   1   13   45   parsed_1sy8   1   
        12   "1:C_5B:O2 1:G_2:N2 3.010 40.00 50.00 1000.000"    14   1   14   45   parsed_1sy8   1   
        13   "1:A_6B:N6 1:T_1:O4 2.810 40.00 50.00 1000.000"    15   1   15   45   parsed_1sy8   1   
    stop_

save_

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