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
550030 2llp 18083 cing 2-parsed STAR distance NOE simple


data_2llp_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2llp 
    _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_2llp   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2llp 
    _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   2llp   "Master copy"    parsed_2llp   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2llp 
    _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   2llp.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"      0   parsed_2llp   1   
        1   2llp.mr   .   .    DYANA/DIANA   2    distance                  NOE                 simple             342   parsed_2llp   1   
        1   2llp.mr   .   .    DYANA/DIANA   3    distance                  NOE                 simple               0   parsed_2llp   1   
        1   2llp.mr   .   .    DYANA/DIANA   4   "dihedral angle"          "Not applicable"    "Not applicable"      0   parsed_2llp   1   
        1   2llp.mr   .   .   "MR format"    5   "nomenclature mapping"    "Not applicable"    "Not applicable"      0   parsed_2llp   1   
    stop_

save_


save_DYANA/DIANA_distance_constraints_3
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_2llp 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type     NOE 
    _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   "Distances < 5.00 (residue diff"    1   1   1   31   parsed_2llp   1   
        2   "in at least 1 structures:"         2   1   2   26   parsed_2llp   1   
        3   "1 Collagen1_HN"                    4   1   4   15   parsed_2llp   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   
;
GLY A 13  HN   PRO B 12  HA     5.50
GLY A 13  HA1  PRO B 12  HA     5.50
GLY A 13  HA1  PRO C 12  HA     5.50
GLY A 13  HA1  PRO C 12  HD3    5.50
GLY A 13  HA2  PRO B 12  HA     5.50
GLY A 13  HA2  PRO C 11  HA     5.50
GLY A 13  HA2  PRO C 11  HD2    5.50
GLY A 13  HA2  PRO C 12  HA     5.50
GLY A 13  HA2  PRO C 12  HG3    5.50
GLY A 13  HA2  PRO C 12  HD3    5.50
PRO A 14  HA   PRO C 12  HA     5.50
PRO A 14  HB2  PRO C 12  HA     5.50
PRO A 14  HB2  PRO C 12  HB3    5.50
PRO A 14  HB2  PRO C 12  HG3    5.50
PRO A 14  HG2  PRO C 12  HB3    5.50
PRO A 14  HG2  PRO C 12  HG3    5.50
PRO A 14  HD2  PRO C 11  HA     5.50
PRO A 14  HD2  PRO C 12  HA     5.50
PRO A 14  HD2  PRO C 12  HB3    5.50
PRO A 14  HD2  PRO C 12  HG2    5.50
PRO A 14  HD2  PRO C 12  HG3    5.50
PRO A 14  HD2  PRO C 12  HD3    5.50
PRO A 14  HD3  PRO C 12  HA     5.50
PRO A 14  HD3  PRO C 12  HG3    5.50
PRO A 27  HA   LEU B 26  HN     5.50
PRO A 27  HA   LEU B 26  HA     5.50
PRO A 27  HA   LEU B 26  HG     5.50
PRO A 27  HA   LEU B 26  HD21   5.50
PRO A 27  HA   LEU B 26  HD22   5.50
PRO A 27  HA   LEU B 26  HD23   5.50
PRO A 27  HA   GLY C 25  HN     5.50
PRO A 27  HA   GLY C 25  HA1    5.50
PRO A 27  HA   GLY C 25  HA2    5.50
PRO A 27  HB2  LEU B 26  HG     5.50
PRO A 27  HB2  LEU B 26  HD21   5.50
PRO A 27  HB2  LEU B 26  HD23   5.50
PRO A 27  HB3  LEU B 26  HN     5.50
PRO A 27  HB3  LEU B 26  HB2    5.50
PRO A 27  HB3  LEU B 26  HB3    5.50
PRO A 27  HB3  LEU B 26  HG     5.50
PRO A 27  HB3  LEU B 26  HD11   5.50
PRO A 27  HB3  LEU B 26  HD12   5.50
PRO A 27  HB3  LEU B 26  HD13   5.50
PRO A 27  HB3  LEU B 26  HD21   5.50
PRO A 27  HB3  LEU B 26  HD22   5.50
PRO A 27  HB3  LEU B 26  HD23   5.50
PRO A 27  HB3  GLY C 25  HA2    5.50
PRO A 27  HG2  LEU B 26  HG     5.50
PRO A 27  HG2  LEU B 26  HD11   5.50
PRO A 27  HG2  LEU B 26  HD21   5.50
PRO A 27  HG2  LEU B 26  HD22   5.50
PRO A 27  HG2  LEU B 26  HD23   5.50
PRO A 27  HG3  LEU B 26  HN     5.50
PRO A 27  HG3  LEU B 26  HB3    5.50
PRO A 27  HG3  LEU B 26  HG     5.50
PRO A 27  HG3  LEU B 26  HD11   5.50
PRO A 27  HG3  LEU B 26  HD13   5.50
PRO A 27  HG3  LEU B 26  HD21   5.50
PRO A 27  HG3  LEU B 26  HD22   5.50
PRO A 27  HG3  LEU B 26  HD23   5.50
PRO A 27  HD2  LEU B 26  HD21   5.50
PRO A 27  HD2  LEU B 26  HD23   5.50
PRO A 27  HD3  LEU B 26  HN     5.50
PRO A 27  HD3  LEU B 26  HD21   5.50
PRO A 27  HD3  LEU B 26  HD22   5.50
PRO A 27  HD3  LEU B 26  HD23   5.50
GLY A 28  HN   LEU B 26  HN     5.50
GLY A 28  HN   LEU B 26  HG     5.50
GLY A 28  HN   LEU B 26  HD21   5.50
GLY A 28  HN   LEU B 26  HD23   5.50
GLY A 28  HN   PRO B 27  HA     5.50
GLY A 28  HN   GLY C 25  HN     5.50
GLY A 28  HN   GLY C 25  HA1    5.50
GLY A 28  HN   GLY C 25  HA2    5.50
GLY A 28  HN   LEU C 26  HN     5.50
GLY A 28  HA1  GLY C 25  HN     5.50
GLY A 28  HA1  GLY C 25  HA1    5.50
GLY A 28  HA1  GLY C 25  HA2    5.50
GLY A 28  HA1  LEU C 26  HN     5.50
GLY A 28  HA2  PRO B 27  HA     5.50
GLY A 28  HA2  GLY C 25  HN     5.50
GLY A 28  HA2  GLY C 25  HA1    5.50
GLY A 28  HA2  GLY C 25  HA2    5.50
GLY A 28  HA2  LEU C 26  HN     5.50
GLY A 28  HA2  LEU C 26  HA     5.50
GLY A 28  HA2  LEU C 26  HB2    5.50
PRO B 12  HA   PRO C 11  HA     5.50
PRO B 12  HA   PRO C 11  HB2    5.50
PRO B 12  HA   PRO C 11  HG2    5.50
PRO B 12  HA   PRO C 11  HD2    5.50
PRO B 12  HA   PRO C 11  HD3    5.50
PRO B 12  HA   PRO C 12  HA     5.50
PRO B 12  HB2  PRO C 11  HB2    5.50
PRO B 12  HB2  PRO C 11  HG2    5.50
PRO B 12  HB2  PRO C 11  HD2    5.50
PRO B 12  HB3  PRO C 11  HA     5.50
PRO B 12  HB3  PRO C 11  HB2    5.50
PRO B 12  HB3  PRO C 11  HB3    5.50
PRO B 12  HB3  PRO C 11  HG2    5.50
PRO B 12  HB3  PRO C 11  HG3    5.50
PRO B 12  HB3  PRO C 11  HD2    5.50
PRO B 12  HB3  PRO C 11  HD3    5.50
PRO B 12  HG2  PRO C 11  HD2    5.50
PRO B 12  HG3  PRO C 11  HB2    5.50
PRO B 12  HG3  PRO C 11  HG2    5.50
PRO B 12  HG3  PRO C 11  HD2    5.50
PRO B 12  HD2  PRO C 11  HD2    5.50
PRO B 12  HD3  PRO C 11  HB2    5.50
PRO B 12  HD3  PRO C 11  HG2    5.50
PRO B 12  HD3  PRO C 11  HD2    5.50
PRO B 12  HD3  PRO C 11  HD3    5.50
GLY B 13  HN   PRO C 11  HA     5.50
GLY B 13  HN   PRO C 11  HB2    5.50
GLY B 13  HN   PRO C 11  HD2    5.50
GLY B 13  HN   PRO C 12  HA     5.50
GLY B 13  HA2  PRO C 12  HA     5.50
PRO B 27  HA   GLY C 25  HA1    5.50
PRO B 27  HA   GLY C 25  HA2    5.50
PRO B 27  HA   LEU C 26  HN     5.50
PRO B 27  HA   LEU C 26  HA     5.50
PRO B 27  HA   LEU C 26  HB2    5.50
PRO B 27  HA   LEU C 26  HB3    5.50
PRO B 27  HA   LEU C 26  HG     5.50
PRO B 27  HA   LEU C 26  HD13   5.50
PRO B 27  HA   LEU C 26  HD21   5.50
PRO B 27  HA   LEU C 26  HD22   5.50
PRO B 27  HA   LEU C 26  HD23   5.50
PRO B 27  HB2  LEU C 26  HN     5.50
PRO B 27  HB2  LEU C 26  HB2    5.50
PRO B 27  HB2  LEU C 26  HB3    5.50
PRO B 27  HB2  LEU C 26  HG     5.50
PRO B 27  HB2  LEU C 26  HD23   5.50
PRO B 27  HB3  LEU C 26  HN     5.50
PRO B 27  HB3  LEU C 26  HB2    5.50
PRO B 27  HB3  LEU C 26  HB3    5.50
PRO B 27  HB3  LEU C 26  HG     5.50
PRO B 27  HB3  LEU C 26  HD11   5.50
PRO B 27  HB3  LEU C 26  HD21   5.50
PRO B 27  HB3  LEU C 26  HD22   5.50
PRO B 27  HB3  LEU C 26  HD23   5.50
PRO B 27  HG2  LEU C 26  HB2    5.50
PRO B 27  HG2  LEU C 26  HD23   5.50
PRO B 27  HG3  LEU C 26  HB2    5.50
PRO B 27  HG3  LEU C 26  HG     5.50
PRO B 27  HG3  LEU C 26  HD21   5.50
PRO B 27  HG3  LEU C 26  HD23   5.50
PRO B 27  HD2  LEU C 26  HD23   5.50
PRO B 27  HD3  LEU C 26  HN     5.50
PRO B 27  HD3  LEU C 26  HB2    5.50
PRO B 27  HD3  LEU C 26  HG     5.50
PRO B 27  HD3  LEU C 26  HD21   5.50
PRO B 27  HD3  LEU C 26  HD22   5.50
PRO B 27  HD3  LEU C 26  HD23   5.50
;
   6   1   158   36   parsed_2llp   1   
    stop_

save_





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