NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id cing stage program type item_count
515814 1zfs cing 2-parsed STAR dipolar coupling 36


data_1zfs_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1zfs 
    _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_1zfs   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1zfs 
    _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   1zfs   "Master copy"    parsed_1zfs   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1zfs 
    _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   1zfs.mr   .   .   "MR format"     1    comment                  "Not applicable"      "Not applicable"       0   parsed_1zfs   1   
        1   1zfs.mr   .   .    XPLOR/CNS      2    distance                  NOE                   ambi               3162   parsed_1zfs   1   
        1   1zfs.mr   .   .    XPLOR/CNS      3   "dihedral angle"          "Not applicable"      "Not applicable"     242   parsed_1zfs   1   
        1   1zfs.mr   .   .    XPLOR/CNS      4    distance                 "hydrogen bond"        simple              172   parsed_1zfs   1   
        1   1zfs.mr   .   .    XPLOR/CNS      5    distance                 "general distance"     simple               18   parsed_1zfs   1   
        1   1zfs.mr   .   .    XPLOR/CNS      6   "dipolar coupling"        "Not applicable"      "Not applicable"      16   parsed_1zfs   1   
        1   1zfs.mr   .   .    XPLOR/CNS      7   "dipolar coupling"        "Not applicable"      "Not applicable"      16   parsed_1zfs   1   
        1   1zfs.mr   .   .    XPLOR/CNS      8   "dipolar coupling"        "Not applicable"      "Not applicable"      18   parsed_1zfs   1   
        1   1zfs.mr   .   .    XPLOR/CNS      9   "dipolar coupling"        "Not applicable"      "Not applicable"      18   parsed_1zfs   1   
        1   1zfs.mr   .   .    XPLOR/CNS     10   "dipolar coupling"        "Not applicable"      "Not applicable"      28   parsed_1zfs   1   
        1   1zfs.mr   .   .    XPLOR/CNS     11   "dipolar coupling"        "Not applicable"      "Not applicable"      20   parsed_1zfs   1   
        1   1zfs.mr   .   .    XPLOR/CNS     12   "dipolar coupling"        "Not applicable"      "Not applicable"      32   parsed_1zfs   1   
        1   1zfs.mr   .   .    XPLOR/CNS     13   "dipolar coupling"        "Not applicable"      "Not applicable"      32   parsed_1zfs   1   
        1   1zfs.mr   .   .    XPLOR/CNS     14   "dipolar coupling"        "Not applicable"      "Not applicable"      36   parsed_1zfs   1   
        1   1zfs.mr   .   .    XPLOR/CNS     15   "dipolar coupling"        "Not applicable"      "Not applicable"      36   parsed_1zfs   1   
        1   1zfs.mr   .   .    XPLOR/CNS     16   "dipolar coupling"        "Not applicable"      "Not applicable"       0   parsed_1zfs   1   
        1   1zfs.mr   .   .    XPLOR/CNS     17   "dipolar coupling"        "Not applicable"      "Not applicable"       0   parsed_1zfs   1   
        1   1zfs.mr   .   .    XPLOR/CNS     18   "dipolar coupling"        "Not applicable"      "Not applicable"       0   parsed_1zfs   1   
        1   1zfs.mr   .   .    XPLOR/CNS     19   "dipolar coupling"        "Not applicable"      "Not applicable"       0   parsed_1zfs   1   
        1   1zfs.mr   .   .   "MR format"    20   "nomenclature mapping"    "Not applicable"      "Not applicable"       0   parsed_1zfs   1   
    stop_

save_


save_CNS/XPLOR_dipolar_coupling_15
    _RDC_constraint_list.Sf_category         RDC_constraints 
    _RDC_constraint_list.Entry_ID            parsed_1zfs 
    _RDC_constraint_list.ID                  1 
    _RDC_constraint_list.Constraint_file_ID  1 
    _RDC_constraint_list.Block_ID            15 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.51   .   .   .   .   sam2    3   .   c   sam2    3   .   ca   parsed_1zfs   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.51   .   .   .   .   sam2    6   .   c   sam2    6   .   ca   parsed_1zfs   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.75   .   .   .   .   sam2    7   .   c   sam2    7   .   ca   parsed_1zfs   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.00   .   .   .   .   sam2    8   .   c   sam2    8   .   ca   parsed_1zfs   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.51   .   .   .   .   sam2   10   .   c   sam2   10   .   ca   parsed_1zfs   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.75   .   .   .   .   sam2   11   .   c   sam2   11   .   ca   parsed_1zfs   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -.75   .   .   .   .   sam2   12   .   c   sam2   12   .   ca   parsed_1zfs   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.75   .   .   .   .   sam2   16   .   c   sam2   16   .   ca   parsed_1zfs   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.00   .   .   .   .   sam2   17   .   c   sam2   17   .   ca   parsed_1zfs   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.00   .   .   .   .   sam2   27   .   c   sam2   27   .   ca   parsed_1zfs   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.00   .   .   .   .   sam2   28   .   c   sam2   28   .   ca   parsed_1zfs   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -1.51   .   .   .   .   sam2   29   .   c   sam2   29   .   ca   parsed_1zfs   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.00   .   .   .   .   sam2   31   .   c   sam2   31   .   ca   parsed_1zfs   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -3.02   .   .   .   .   sam2   32   .   c   sam2   32   .   ca   parsed_1zfs   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.00   .   .   .   .   sam2   33   .   c   sam2   33   .   ca   parsed_1zfs   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.00   .   .   .   .   sam2   36   .   c   sam2   36   .   ca   parsed_1zfs   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.00   .   .   .   .   sam2   37   .   c   sam2   37   .   ca   parsed_1zfs   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -1.51   .   .   .   .   sam2   52   .   c   sam2   52   .   ca   parsed_1zfs   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.00   .   .   .   .   sam2   53   .   c   sam2   53   .   ca   parsed_1zfs   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.00   .   .   .   .   sam2   54   .   c   sam2   54   .   ca   parsed_1zfs   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -1.51   .   .   .   .   sam2   55   .   c   sam2   55   .   ca   parsed_1zfs   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.75   .   .   .   .   sam2   56   .   c   sam2   56   .   ca   parsed_1zfs   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.00   .   .   .   .   sam2   57   .   c   sam2   57   .   ca   parsed_1zfs   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    3.02   .   .   .   .   sam2   58   .   c   sam2   58   .   ca   parsed_1zfs   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -1.51   .   .   .   .   sam2   59   .   c   sam2   59   .   ca   parsed_1zfs   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -1.51   .   .   .   .   sam2   68   .   c   sam2   68   .   ca   parsed_1zfs   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.00   .   .   .   .   sam2   69   .   c   sam2   69   .   ca   parsed_1zfs   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.00   .   .   .   .   sam2   73   .   c   sam2   73   .   ca   parsed_1zfs   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -3.02   .   .   .   .   sam2   74   .   c   sam2   74   .   ca   parsed_1zfs   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.75   .   .   .   .   sam2   75   .   c   sam2   75   .   ca   parsed_1zfs   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.51   .   .   .   .   sam2   76   .   c   sam2   76   .   ca   parsed_1zfs   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.00   .   .   .   .   sam2   77   .   c   sam2   77   .   ca   parsed_1zfs   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.00   .   .   .   .   sam2   79   .   c   sam2   79   .   ca   parsed_1zfs   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -3.02   .   .   .   .   sam2   82   .   c   sam2   82   .   ca   parsed_1zfs   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.51   .   .   .   .   sam2   83   .   c   sam2   83   .   ca   parsed_1zfs   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -.75   .   .   .   .   sam2   86   .   c   sam2   86   .   ca   parsed_1zfs   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 740 and name OO)
( resid 740 and name Z)
( resid 740 and name Y)
( resid 740 and name X)
( resid 38 and name c and segid="sam2")
( resid 38 and name ca and segid="sam2")   0.00 0.4000
;
   120   1   125   59   parsed_1zfs   1   
        2   "end data set"    259   1   259   14   parsed_1zfs   1   
    stop_

save_





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