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 item_count
644011 6uzj 30684 cing 2-parsed STAR dipolar coupling 47


data_6uzj_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_6uzj 
    _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_6uzj   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_6uzj 
    _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   6uzj   "Master copy"    parsed_6uzj   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_6uzj 
    _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   6uzj.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"       0   parsed_6uzj   1   
        1   6uzj.mr   .   .    XPLOR/CNS     2   "dihedral angle"          "Not applicable"    "Not applicable"     112   parsed_6uzj   1   
        1   6uzj.mr   .   .    XPLOR/CNS     3    distance                  NOE                 simple             1148   parsed_6uzj   1   
        1   6uzj.mr   .   .    XPLOR/CNS     4    distance                 "hydrogen bond"      simple                0   parsed_6uzj   1   
        1   6uzj.mr   .   .    XPLOR/CNS     5   "dipolar coupling"        "Not applicable"    "Not applicable"      47   parsed_6uzj   1   
        1   6uzj.mr   .   .   "MR format"    6   "nomenclature mapping"    "Not applicable"    "Not applicable"       0   parsed_6uzj   1   
    stop_

save_


save_CNS/XPLOR_dipolar_coupling_5
    _RDC_constraint_list.Sf_category         RDC_constraints 
    _RDC_constraint_list.Entry_ID            parsed_6uzj 
    _RDC_constraint_list.ID                  1 
    _RDC_constraint_list.Constraint_file_ID  1 
    _RDC_constraint_list.Block_ID            5 
    _RDC_constraint_list.Details            "Generated by Wattos" 

    loop_
        _RDC_constraint.ID 
        _RDC_constraint.Assembly_atom_ID_1 
        _RDC_constraint.Entity_assembly_ID_1 
        _RDC_constraint.Entity_ID_1 
        _RDC_constraint.Comp_index_ID_1 
        _RDC_constraint.Seq_ID_1 
        _RDC_constraint.Comp_ID_1 
        _RDC_constraint.Atom_ID_1 
        _RDC_constraint.Resonance_ID_1 
        _RDC_constraint.Assembly_atom_ID_2 
        _RDC_constraint.Entity_assembly_ID_2 
        _RDC_constraint.Entity_ID_2 
        _RDC_constraint.Comp_index_ID_2 
        _RDC_constraint.Seq_ID_2 
        _RDC_constraint.Comp_ID_2 
        _RDC_constraint.Atom_ID_2 
        _RDC_constraint.Resonance_ID_2 
        _RDC_constraint.RDC_val 
        _RDC_constraint.RDC_lower_bound 
        _RDC_constraint.RDC_upper_bound 
        _RDC_constraint.RDC_val_err 
        _RDC_constraint.Source_experiment_ID 
        _RDC_constraint.Auth_asym_ID_1 
        _RDC_constraint.Auth_seq_ID_1 
        _RDC_constraint.Auth_comp_ID_1 
        _RDC_constraint.Auth_atom_ID_1 
        _RDC_constraint.Auth_asym_ID_2 
        _RDC_constraint.Auth_seq_ID_2 
        _RDC_constraint.Auth_comp_ID_2 
        _RDC_constraint.Auth_atom_ID_2 
        _RDC_constraint.Entry_ID 
        _RDC_constraint.RDC_constraint_list_ID 

         1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.86   .   .   .   .   .   28   .   HN   .   28   .   N   parsed_6uzj   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.84   .   .   .   .   .   29   .   HN   .   29   .   N   parsed_6uzj   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    20.36   .   .   .   .   .   30   .   HN   .   30   .   N   parsed_6uzj   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    18.35   .   .   .   .   .   31   .   HN   .   31   .   N   parsed_6uzj   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.87   .   .   .   .   .   32   .   HN   .   32   .   N   parsed_6uzj   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.52   .   .   .   .   .   33   .   HN   .   33   .   N   parsed_6uzj   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.81   .   .   .   .   .   34   .   HN   .   34   .   N   parsed_6uzj   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.30   .   .   .   .   .   35   .   HN   .   35   .   N   parsed_6uzj   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.83   .   .   .   .   .   38   .   HN   .   38   .   N   parsed_6uzj   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.47   .   .   .   .   .   42   .   HN   .   42   .   N   parsed_6uzj   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.94   .   .   .   .   .   43   .   HN   .   43   .   N   parsed_6uzj   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.13   .   .   .   .   .   44   .   HN   .   44   .   N   parsed_6uzj   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.83   .   .   .   .   .   46   .   HN   .   46   .   N   parsed_6uzj   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.18   .   .   .   .   .   47   .   HN   .   47   .   N   parsed_6uzj   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.92   .   .   .   .   .   48   .   HN   .   48   .   N   parsed_6uzj   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -12.58   .   .   .   .   .   49   .   HN   .   49   .   N   parsed_6uzj   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -11.42   .   .   .   .   .   50   .   HN   .   50   .   N   parsed_6uzj   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -12.09   .   .   .   .   .   51   .   HN   .   51   .   N   parsed_6uzj   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.66   .   .   .   .   .   52   .   HN   .   52   .   N   parsed_6uzj   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -12.40   .   .   .   .   .   53   .   HN   .   53   .   N   parsed_6uzj   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.03   .   .   .   .   .   54   .   HN   .   54   .   N   parsed_6uzj   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    16.41   .   .   .   .   .   55   .   HN   .   55   .   N   parsed_6uzj   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    12.82   .   .   .   .   .   56   .   HN   .   56   .   N   parsed_6uzj   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    13.13   .   .   .   .   .   57   .   HN   .   57   .   N   parsed_6uzj   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -12.88   .   .   .   .   .   58   .   HN   .   58   .   N   parsed_6uzj   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.97   .   .   .   .   .   59   .   HN   .   59   .   N   parsed_6uzj   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.24   .   .   .   .   .   60   .   HN   .   60   .   N   parsed_6uzj   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.28   .   .   .   .   .   61   .   HN   .   61   .   N   parsed_6uzj   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.97   .   .   .   .   .   65   .   HN   .   65   .   N   parsed_6uzj   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.23   .   .   .   .   .   66   .   HN   .   66   .   N   parsed_6uzj   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.74   .   .   .   .   .   67   .   HN   .   67   .   N   parsed_6uzj   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.80   .   .   .   .   .   68   .   HN   .   68   .   N   parsed_6uzj   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    13.19   .   .   .   .   .   69   .   HN   .   69   .   N   parsed_6uzj   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    18.84   .   .   .   .   .   70   .   HN   .   70   .   N   parsed_6uzj   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    12.40   .   .   .   .   .   71   .   HN   .   71   .   N   parsed_6uzj   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     9.18   .   .   .   .   .   72   .   HN   .   72   .   N   parsed_6uzj   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    23.09   .   .   .   .   .   74   .   HN   .   74   .   N   parsed_6uzj   1   
        38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    15.50   .   .   .   .   .   75   .   HN   .   75   .   N   parsed_6uzj   1   
        39   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.54   .   .   .   .   .   76   .   HN   .   76   .   N   parsed_6uzj   1   
        40   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.54   .   .   .   .   .   77   .   HN   .   77   .   N   parsed_6uzj   1   
        41   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.01   .   .   .   .   .   79   .   HN   .   79   .   N   parsed_6uzj   1   
        42   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.20   .   .   .   .   .   80   .   HN   .   80   .   N   parsed_6uzj   1   
        43   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    13.43   .   .   .   .   .   81   .   HN   .   81   .   N   parsed_6uzj   1   
        44   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -12.40   .   .   .   .   .   82   .   HN   .   82   .   N   parsed_6uzj   1   
        45   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.08   .   .   .   .   .   83   .   HN   .   83   .   N   parsed_6uzj   1   
        46   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.40   .   .   .   .   .   84   .   HN   .   84   .   N   parsed_6uzj   1   
        47   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    23.27   .   .   .   .   .   85   .   HN   .   85   .   N   parsed_6uzj   1   
    stop_


    loop_
        _RDC_constraint_comment_org.ID 
        _RDC_constraint_comment_org.Comment_text 
        _RDC_constraint_comment_org.Comment_begin_line 
        _RDC_constraint_comment_org.Comment_begin_column 
        _RDC_constraint_comment_org.Comment_end_line 
        _RDC_constraint_comment_org.Comment_end_column 
        _RDC_constraint_comment_org.Entry_ID 
        _RDC_constraint_comment_org.RDC_constraint_list_ID 

        1   
;
assign ( resid 600 and name OO )
( resid 600 and name  Z )
( resid 600 and name  Y )
( resid 600 and name  X )
( resid  40 and name HN )
( resid  40 and name  N ) -6.50 1.0
;
    65   1    70   44   parsed_6uzj   1   
        2   "assign ( resid 600 and name OO )"    261   1   261   35   parsed_6uzj   1   
    stop_


    loop_
        _RDC_constraint_parse_err.ID 
        _RDC_constraint_parse_err.Content 
        _RDC_constraint_parse_err.Begin_line 
        _RDC_constraint_parse_err.Begin_column 
        _RDC_constraint_parse_err.End_line 
        _RDC_constraint_parse_err.End_column 
        _RDC_constraint_parse_err.Entry_ID 
        _RDC_constraint_parse_err.RDC_constraint_list_ID 

        1   "# Restraints file 4: rdc.tbl"      1   2     1   29   parsed_6uzj   1   
        2   
;
( resid 600 and name  Z ) 
       ( resid 600 and name  Y ) 
       ( resid 600 and name  X ) 
       ( resid  73 and name HN ) 
       ( resid  73 and name  N ) 28.62 1.0
;
   262   8   266   42   parsed_6uzj   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. Friday, April 26, 2024 4:49:23 AM GMT (wattos1)