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
566025 2lzf 18753 cing 2-parsed STAR dipolar coupling 37


data_2lzf_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2lzf 
    _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_2lzf   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2lzf 
    _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   2lzf   "Master copy"    parsed_2lzf   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2lzf 
    _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   2lzf.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"     0   parsed_2lzf   1   
        1   2lzf.mr   .   .    DYANA/DIANA   2    distance                  NOE                 simple              0   parsed_2lzf   1   
        1   2lzf.mr   .   .    DYANA/DIANA   3   "dihedral angle"          "Not applicable"    "Not applicable"     0   parsed_2lzf   1   
        1   2lzf.mr   .   .    DYANA/DIANA   4    distance                 "hydrogen bond"      simple              0   parsed_2lzf   1   
        1   2lzf.mr   .   .    DYANA/DIANA   5   "dipolar coupling"        "Not applicable"    "Not applicable"    37   parsed_2lzf   1   
        1   2lzf.mr   .   .   "MR format"    6   "nomenclature mapping"    "Not applicable"    "Not applicable"     0   parsed_2lzf   1   
    stop_

save_


save_DYANA/DIANA_dipolar_coupling_5
    _RDC_constraint_list.Sf_category         RDC_constraints 
    _RDC_constraint_list.Entry_ID            parsed_2lzf 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.426   .   .   2.000   .   .    6   MET   H   .    6   MET   N   parsed_2lzf   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.142   .   .   2.000   .   .    7   SER   H   .    7   SER   N   parsed_2lzf   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.051   .   .   2.000   .   .    8   LEU   H   .    8   LEU   N   parsed_2lzf   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.348   .   .   2.000   .   .    9   ILE   H   .    9   ILE   N   parsed_2lzf   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.554   .   .   2.000   .   .   10   GLY   H   .   10   GLY   N   parsed_2lzf   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.508   .   .   2.000   .   .   13   PHE   H   .   13   PHE   N   parsed_2lzf   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.497   .   .   2.000   .   .   14   THR   H   .   14   THR   N   parsed_2lzf   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.663   .   .   2.000   .   .   15   GLU   H   .   15   GLU   N   parsed_2lzf   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.129   .   .   2.000   .   .   16   GLU   H   .   16   GLU   N   parsed_2lzf   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     9.011   .   .   2.000   .   .   18   GLN   H   .   18   GLN   N   parsed_2lzf   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.322   .   .   2.000   .   .   19   LYS   H   .   19   LYS   N   parsed_2lzf   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.592   .   .   2.000   .   .   21   LEU   H   .   21   LEU   N   parsed_2lzf   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.115   .   .   2.000   .   .   22   LEU   H   .   22   LEU   N   parsed_2lzf   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.071   .   .   2.000   .   .   23   ASN   H   .   23   ASN   N   parsed_2lzf   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.747   .   .   2.000   .   .   32   ILE   H   .   32   ILE   N   parsed_2lzf   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.142   .   .   2.000   .   .   33   GLU   H   .   33   GLU   N   parsed_2lzf   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.257   .   .   2.000   .   .   34   LEU   H   .   34   LEU   N   parsed_2lzf   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.483   .   .   2.000   .   .   36   SER   H   .   36   SER   N   parsed_2lzf   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.426   .   .   2.000   .   .   38   GLU   H   .   38   GLU   N   parsed_2lzf   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.186   .   .   2.000   .   .   39   ILE   H   .   39   ILE   N   parsed_2lzf   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.987   .   .   2.000   .   .   40   ASN   H   .   40   ASN   N   parsed_2lzf   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.528   .   .   2.000   .   .   41   ASP   H   .   41   ASP   N   parsed_2lzf   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.987   .   .   2.000   .   .   42   ILE   H   .   42   ILE   N   parsed_2lzf   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.922   .   .   2.000   .   .   43   GLU   H   .   43   GLU   N   parsed_2lzf   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.257   .   .   2.000   .   .   44   THR   H   .   44   THR   N   parsed_2lzf   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.889   .   .   2.000   .   .   45   GLY   H   .   45   GLY   N   parsed_2lzf   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.639   .   .   2.000   .   .   46   THR   H   .   46   THR   N   parsed_2lzf   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -10.076   .   .   2.000   .   .   47   LYS   H   .   47   LYS   N   parsed_2lzf   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.437   .   .   2.000   .   .   48   ASN   H   .   48   ASN   N   parsed_2lzf   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.386   .   .   2.000   .   .   51   GLY   H   .   51   GLY   N   parsed_2lzf   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.038   .   .   2.000   .   .   53   THR   H   .   53   THR   N   parsed_2lzf   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.845   .   .   2.000   .   .   56   LYS   H   .   56   LYS   N   parsed_2lzf   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    11.140   .   .   2.000   .   .   59   THR   H   .   59   THR   N   parsed_2lzf   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    11.708   .   .   2.000   .   .   62   ASP   H   .   62   ASP   N   parsed_2lzf   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.845   .   .   2.000   .   .   66   PHE   H   .   66   PHE   N   parsed_2lzf   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     8.373   .   .   2.000   .   .   67   GLU   H   .   67   GLU   N   parsed_2lzf   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.987   .   .   2.000   .   .   68   ASN   H   .   68   ASN   N   parsed_2lzf   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    1    1   63    1   64   parsed_2lzf   1   
         2    1    2   63    2   64   parsed_2lzf   1   
         3    1    3   63    3   64   parsed_2lzf   1   
         4    1    4   63    4   64   parsed_2lzf   1   
         5    1    5   63    5   64   parsed_2lzf   1   
         6    1    6   63    6   64   parsed_2lzf   1   
         7    1    7   63    7   64   parsed_2lzf   1   
         8    1    8   63    8   64   parsed_2lzf   1   
         9    1    9   63    9   64   parsed_2lzf   1   
        10    1   10   63   10   64   parsed_2lzf   1   
        11    1   11   63   11   64   parsed_2lzf   1   
        12    1   12   63   12   64   parsed_2lzf   1   
        13    1   13   63   13   64   parsed_2lzf   1   
        14    1   14   63   14   64   parsed_2lzf   1   
        15    1   15   63   15   64   parsed_2lzf   1   
        16    1   16   63   16   64   parsed_2lzf   1   
        17    1   17   63   17   64   parsed_2lzf   1   
        18    1   18   63   18   64   parsed_2lzf   1   
        19    1   19   63   19   64   parsed_2lzf   1   
        20    1   20   63   20   64   parsed_2lzf   1   
        21    1   21   63   21   64   parsed_2lzf   1   
        22    1   22   63   22   64   parsed_2lzf   1   
        23    1   23   63   23   64   parsed_2lzf   1   
        24    1   24   63   24   64   parsed_2lzf   1   
        25    1   25   63   25   64   parsed_2lzf   1   
        26    1   26   63   26   64   parsed_2lzf   1   
        27    1   27   63   27   64   parsed_2lzf   1   
        28    1   28   63   28   64   parsed_2lzf   1   
        29    1   29   63   29   64   parsed_2lzf   1   
        30    1   30   63   30   64   parsed_2lzf   1   
        31    1   31   63   31   64   parsed_2lzf   1   
        32    1   32   63   32   64   parsed_2lzf   1   
        33    1   33   63   33   64   parsed_2lzf   1   
        34    1   34   63   34   64   parsed_2lzf   1   
        35    1   35   63   35   64   parsed_2lzf   1   
        36    1   36   63   36   64   parsed_2lzf   1   
        37   
;
1

;
    37   63   38   63   parsed_2lzf   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. Wednesday, May 29, 2024 10:02:24 AM GMT (wattos1)