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
43423 2ari 6867 cing 2-parsed STAR dipolar coupling 38


data_2ari_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2ari 
    _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_2ari   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2ari 
    _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   2ari   "Master copy"    parsed_2ari   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2ari 
    _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   2ari.mr   .   .   "MR format"     1    comment                  "Not applicable"    "Not applicable"     0   parsed_2ari   1   
        1   2ari.mr   .   .    n/a            2    comment                  "Not applicable"    "Not applicable"     0   parsed_2ari   1   
        1   2ari.mr   .   .    XPLOR/CNS      3   "dihedral angle"          "Not applicable"    "Not applicable"     0   parsed_2ari   1   
        1   2ari.mr   .   .    n/a            4    comment                  "Not applicable"    "Not applicable"     0   parsed_2ari   1   
        1   2ari.mr   .   .    XPLOR/CNS      5    distance                  NOE                 simple             74   parsed_2ari   1   
        1   2ari.mr   .   .    n/a            6    comment                  "Not applicable"    "Not applicable"     0   parsed_2ari   1   
        1   2ari.mr   .   .    XPLOR/CNS      7   "dihedral angle"          "Not applicable"    "Not applicable"    37   parsed_2ari   1   
        1   2ari.mr   .   .    n/a            8    comment                  "Not applicable"    "Not applicable"     0   parsed_2ari   1   
        1   2ari.mr   .   .    XPLOR/CNS      9   "dipolar coupling"        "Not applicable"    "Not applicable"    15   parsed_2ari   1   
        1   2ari.mr   .   .    n/a           10    comment                  "Not applicable"    "Not applicable"     0   parsed_2ari   1   
        1   2ari.mr   .   .    XPLOR/CNS     11   "coupling constant"       "Not applicable"    "Not applicable"     0   parsed_2ari   1   
        1   2ari.mr   .   .    XPLOR/CNS     12   "dipolar coupling"        "Not applicable"    "Not applicable"    38   parsed_2ari   1   
        1   2ari.mr   .   .   "MR format"    13   "nomenclature mapping"    "Not applicable"    "Not applicable"     0   parsed_2ari   1   
    stop_

save_


save_CNS/XPLOR_dipolar_coupling_12
    _RDC_constraint_list.Sf_category         RDC_constraints 
    _RDC_constraint_list.Entry_ID            parsed_2ari 
    _RDC_constraint_list.ID                  1 
    _RDC_constraint_list.Constraint_file_ID  1 
    _RDC_constraint_list.Block_ID            12 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -11.9367   .   .   .   .   .    6   .   CA   .    6   .   C    parsed_2ari   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     8.8557   .   .   .   .   .    7   .   CA   .    7   .   C    parsed_2ari   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    23.8301   .   .   .   .   .    8   .   CA   .    8   .   C    parsed_2ari   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -23.8276   .   .   .   .   .    9   .   CA   .    9   .   C    parsed_2ari   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.2775   .   .   .   .   .   10   .   CA   .   10   .   C    parsed_2ari   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    26.9506   .   .   .   .   .   11   .   CA   .   11   .   C    parsed_2ari   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.2992   .   .   .   .   .   12   .   CA   .   12   .   C    parsed_2ari   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -32.0400   .   .   .   .   .   13   .   CA   .   13   .   C    parsed_2ari   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.7423   .   .   .   .   .   14   .   CA   .   14   .   C    parsed_2ari   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    22.4154   .   .   .   .   .   15   .   CA   .   15   .   C    parsed_2ari   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -34.4574   .   .   .   .   .   16   .   CA   .   16   .   C    parsed_2ari   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -18.8989   .   .   .   .   .   17   .   CA   .   17   .   C    parsed_2ari   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.8196   .   .   .   .   .   18   .   CA   .   18   .   C    parsed_2ari   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    13.9138   .   .   .   .   .   19   .   CA   .   19   .   C    parsed_2ari   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -30.7872   .   .   .   .   .   20   .   CA   .   20   .   C    parsed_2ari   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.1064   .   .   .   .   .    6   .   N    .    6   .   HN   parsed_2ari   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.4054   .   .   .   .   .    7   .   N    .    7   .   HN   parsed_2ari   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -17.9180   .   .   .   .   .    8   .   N    .    8   .   HN   parsed_2ari   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.7678   .   .   .   .   .    9   .   N    .    9   .   HN   parsed_2ari   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.4316   .   .   .   .   .   10   .   N    .   10   .   HN   parsed_2ari   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -19.9696   .   .   .   .   .   11   .   N    .   11   .   HN   parsed_2ari   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -22.7114   .   .   .   .   .   12   .   N    .   12   .   HN   parsed_2ari   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.3305   .   .   .   .   .   13   .   N    .   13   .   HN   parsed_2ari   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.3304   .   .   .   .   .   14   .   N    .   14   .   HN   parsed_2ari   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -26.4697   .   .   .   .   .   15   .   N    .   15   .   HN   parsed_2ari   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -17.1129   .   .   .   .   .   16   .   N    .   16   .   HN   parsed_2ari   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.6769   .   .   .   .   .   17   .   N    .   17   .   HN   parsed_2ari   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -19.1539   .   .   .   .   .   18   .   N    .   18   .   HN   parsed_2ari   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -22.4584   .   .   .   .   .   19   .   N    .   19   .   HN   parsed_2ari   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.0680   .   .   .   .   .   20   .   N    .   20   .   HN   parsed_2ari   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    19.9238   .   .   .   .   .    7   .   CB   .    7   .   CA   parsed_2ari   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    11.3474   .   .   .   .   .    9   .   CB   .    9   .   CA   parsed_2ari   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -18.4142   .   .   .   .   .   12   .   CB   .   12   .   CA   parsed_2ari   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -22.1351   .   .   .   .   .   15   .   CB   .   15   .   CA   parsed_2ari   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -14.6992   .   .   .   .   .   16   .   CB   .   16   .   CA   parsed_2ari   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    13.8748   .   .   .   .   .   18   .   CB   .   18   .   CA   parsed_2ari   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -31.8671   .   .   .   .   .   19   .   CB   .   19   .   CA   parsed_2ari   1   
        38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.7518   .   .   .   .   .   20   .   CB   .   20   .   CA   parsed_2ari   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   20G   2   1   2   6   parsed_2ari   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   
;
constraints/dc_coca.tbl0100644007103600000630000000723710301410432015214 0ustar  jaroniecsmmspassign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     5 and name   CA)
       ( resid     5 and name    C) -20.4489  0.0000
;
     4   1     9   52   parsed_2ari   1   
        2   
;
constraints/dc_nh.tbl0100644007103600000630000000723610301410520014711 0ustar  jaroniecsmmspassign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     5 and name    N)
       ( resid     5 and name   HN) -14.6044  0.0000
;
   115   1   120   52   parsed_2ari   1   
        3   
;
constraints/dc_cacb.tbl0100644007103600000630000000407010301410353015171 0ustar  jaroniecsmmspassign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     5 and name   CB)
       ( resid     5 and name   CA) -12.5239  0.0000
;
   226   1   231   52   parsed_2ari   1   
    stop_

save_





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