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
515812 1zfs cing 2-parsed STAR dipolar coupling 32


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"       0   parsed_1zfs   1   
        1   1zfs.mr   .   .    XPLOR/CNS     15   "dipolar coupling"        "Not applicable"      "Not applicable"       0   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_13
    _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            13 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    7.478   .   .   .   .   sam2    7   .   n   sam2    7   .   hn   parsed_1zfs   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    5.654   .   .   .   .   sam2   12   .   n   sam2   12   .   hn   parsed_1zfs   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    4.234   .   .   .   .   sam2   13   .   n   sam2   13   .   hn   parsed_1zfs   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    6.87    .   .   .   .   sam2   14   .   n   sam2   14   .   hn   parsed_1zfs   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    2.613   .   .   .   .   sam2   17   .   n   sam2   17   .   hn   parsed_1zfs   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    4.032   .   .   .   .   sam2   18   .   n   sam2   18   .   hn   parsed_1zfs   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    3.829   .   .   .   .   sam2   27   .   n   sam2   27   .   hn   parsed_1zfs   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    2.613   .   .   .   .   sam2   28   .   n   sam2   28   .   hn   parsed_1zfs   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -6.31    .   .   .   .   sam2   29   .   n   sam2   29   .   hn   parsed_1zfs   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -6.11    .   .   .   .   sam2   32   .   n   sam2   32   .   hn   parsed_1zfs   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -3.88    .   .   .   .   sam2   33   .   n   sam2   33   .   hn   parsed_1zfs   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -.63    .   .   .   .   sam2   34   .   n   sam2   34   .   hn   parsed_1zfs   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -5.7     .   .   .   .   sam2   36   .   n   sam2   36   .   hn   parsed_1zfs   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -1.65    .   .   .   .   sam2   37   .   n   sam2   37   .   hn   parsed_1zfs   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -1.85    .   .   .   .   sam2   38   .   n   sam2   38   .   hn   parsed_1zfs   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    6.059   .   .   .   .   sam2   50   .   n   sam2   50   .   hn   parsed_1zfs   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -1.44    .   .   .   .   sam2   53   .   n   sam2   53   .   hn   parsed_1zfs   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    3.626   .   .   .   .   sam2   55   .   n   sam2   55   .   hn   parsed_1zfs   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    2.815   .   .   .   .   sam2   57   .   n   sam2   57   .   hn   parsed_1zfs   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    7.479   .   .   .   .   sam2   58   .   n   sam2   58   .   hn   parsed_1zfs   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    2.207   .   .   .   .   sam2   59   .   n   sam2   59   .   hn   parsed_1zfs   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -3.06    .   .   .   .   sam2   69   .   n   sam2   69   .   hn   parsed_1zfs   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.43    .   .   .   .   sam2   76   .   n   sam2   76   .   hn   parsed_1zfs   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -4.69    .   .   .   .   sam2   79   .   n   sam2   79   .   hn   parsed_1zfs   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -2.86    .   .   .   .   sam2   80   .   n   sam2   80   .   hn   parsed_1zfs   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.23    .   .   .   .   sam2   83   .   n   sam2   83   .   hn   parsed_1zfs   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -2.25    .   .   .   .   sam2   84   .   n   sam2   84   .   hn   parsed_1zfs   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -5.5     .   .   .   .   sam2   40   .   n   sam2   40   .   hn   parsed_1zfs   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -7.12    .   .   .   .   sam2   42   .   n   sam2   42   .   hn   parsed_1zfs   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    2.41    .   .   .   .   sam2   48   .   n   sam2   48   .   hn   parsed_1zfs   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -2.05    .   .   .   .   sam2   60   .   n   sam2   60   .   hn   parsed_1zfs   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -6.13    .   .   .   .   sam2   64   .   n   sam2   64   .   hn   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   "end data set"    224   1   224   14   parsed_1zfs   1   
    stop_

save_





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