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
515807 1zfs cing 2-parsed STAR dipolar coupling 18


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"       0   parsed_1zfs   1   
        1   1zfs.mr   .   .    XPLOR/CNS     10   "dipolar coupling"        "Not applicable"      "Not applicable"       0   parsed_1zfs   1   
        1   1zfs.mr   .   .    XPLOR/CNS     11   "dipolar coupling"        "Not applicable"      "Not applicable"       0   parsed_1zfs   1   
        1   1zfs.mr   .   .    XPLOR/CNS     12   "dipolar coupling"        "Not applicable"      "Not applicable"       0   parsed_1zfs   1   
        1   1zfs.mr   .   .    XPLOR/CNS     13   "dipolar coupling"        "Not applicable"      "Not applicable"       0   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_8
    _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            8 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.18    .   .   .   .   sam1   13   .   n   sam1   13   .   hn   parsed_1zfs   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.83    .   .   .   .   sam1   18   .   n   sam1   18   .   hn   parsed_1zfs   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -1.04    .   .   .   .   sam1   27   .   n   sam1   27   .   hn   parsed_1zfs   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.63    .   .   .   .   sam1   28   .   n   sam1   28   .   hn   parsed_1zfs   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.801   .   .   .   .   sam1   29   .   n   sam1   29   .   hn   parsed_1zfs   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.179   .   .   .   .   sam1   34   .   n   sam1   34   .   hn   parsed_1zfs   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.599   .   .   .   .   sam1   36   .   n   sam1   36   .   hn   parsed_1zfs   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.599   .   .   .   .   sam1   37   .   n   sam1   37   .   hn   parsed_1zfs   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.585   .   .   .   .   sam1   38   .   n   sam1   38   .   hn   parsed_1zfs   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -.02    .   .   .   .   sam1   39   .   n   sam1   39   .   hn   parsed_1zfs   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.18    .   .   .   .   sam1   53   .   n   sam1   53   .   hn   parsed_1zfs   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.382   .   .   .   .   sam1   57   .   n   sam1   57   .   hn   parsed_1zfs   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.599   .   .   .   .   sam1   70   .   n   sam1   70   .   hn   parsed_1zfs   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.382   .   .   .   .   sam1   74   .   n   sam1   74   .   hn   parsed_1zfs   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.428   .   .   .   .   sam1   75   .   n   sam1   75   .   hn   parsed_1zfs   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.193   .   .   .   .   sam1   76   .   n   sam1   76   .   hn   parsed_1zfs   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.02    .   .   .   .   sam1   77   .   n   sam1   77   .   hn   parsed_1zfs   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.193   .   .   .   .   sam1   80   .   n   sam1   80   .   hn   parsed_1zfs   1   
    stop_

save_





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