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
38476 1rjv 6049 cing 2-parsed STAR dipolar coupling 47


data_1rjv_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1rjv 
    _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_1rjv   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1rjv 
    _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   1rjv   "Master copy"    parsed_1rjv   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1rjv 
    _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   1rjv.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"       0   parsed_1rjv   1   
        1   1rjv.mr   .   .    DYANA/DIANA   2    distance                  NOE                 simple             1551   parsed_1rjv   1   
        1   1rjv.mr   .   .    DYANA/DIANA   3   "dipolar coupling"        "Not applicable"    "Not applicable"      47   parsed_1rjv   1   
        1   1rjv.mr   .   .    n/a           4    comment                  "Not applicable"    "Not applicable"       0   parsed_1rjv   1   
        1   1rjv.mr   .   .    DYANA/DIANA   5   "pseudocontact shift"     "Not applicable"    "Not applicable"       0   parsed_1rjv   1   
        1   1rjv.mr   .   .    n/a           6    comment                  "Not applicable"    "Not applicable"       0   parsed_1rjv   1   
        1   1rjv.mr   .   .    DYANA/DIANA   7    distance                  NOE                 simple                0   parsed_1rjv   1   
        1   1rjv.mr   .   .    DYANA/DIANA   8   "dihedral angle"          "Not applicable"    "Not applicable"       0   parsed_1rjv   1   
        1   1rjv.mr   .   .   "MR format"    9   "nomenclature mapping"    "Not applicable"    "Not applicable"       0   parsed_1rjv   1   
    stop_

save_


save_DYANA/DIANA_dipolar_coupling_3
    _RDC_constraint_list.Sf_category         RDC_constraints 
    _RDC_constraint_list.Entry_ID            parsed_1rjv 
    _RDC_constraint_list.ID                  1 
    _RDC_constraint_list.Constraint_file_ID  1 
    _RDC_constraint_list.Block_ID            3 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    21.10   .   .   0.50   .   .     9   ALA    HN   .   .   .   .   parsed_1rjv   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    12.92   .   .   0.50   .   .    10   GLU-   HN   .   .   .   .   parsed_1rjv   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    16.48   .   .   0.50   .   .    11   ASP-   HN   .   .   .   .   parsed_1rjv   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    16.46   .   .   0.50   .   .    14   LYS+   HN   .   .   .   .   parsed_1rjv   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    16.34   .   .   0.50   .   .    15   ALA    HN   .   .   .   .   parsed_1rjv   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    21.86   .   .   0.50   .   .    16   VAL    HN   .   .   .   .   parsed_1rjv   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    19.77   .   .   0.50   .   .    17   GLY    HN   .   .   .   .   parsed_1rjv   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    17.14   .   .   0.50   .   .    18   ALA    HN   .   .   .   .   parsed_1rjv   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    18.18   .   .   0.50   .   .    19   PHE    HN   .   .   .   .   parsed_1rjv   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.87   .   .   0.50   .   .    21   ALA    HN   .   .   .   .   parsed_1rjv   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    19.61   .   .   0.50   .   .    28   LYS+   HN   .   .   .   .   parsed_1rjv   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    22.97   .   .   0.50   .   .    29   LYS+   HN   .   .   .   .   parsed_1rjv   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    18.22   .   .   0.50   .   .    30   PHE    HN   .   .   .   .   parsed_1rjv   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    16.91   .   .   0.50   .   .    34   VAL    HN   .   .   .   .   parsed_1rjv   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    15.51   .   .   0.50   .   .    35   GLY    HN   .   .   .   .   parsed_1rjv   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    10.31   .   .   0.50   .   .    36   LEU    HN   .   .   .   .   parsed_1rjv   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.51   .   .   0.50   .   .    41   ALA    HN   .   .   .   .   parsed_1rjv   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.23   .   .   0.50   .   .    42   ASP-   HN   .   .   .   .   parsed_1rjv   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.96   .   .   0.50   .   .    43   ASP-   HN   .   .   .   .   parsed_1rjv   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -13.07   .   .   0.50   .   .    44   VAL    HN   .   .   .   .   parsed_1rjv   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.12   .   .   0.50   .   .    45   LYS+   HN   .   .   .   .   parsed_1rjv   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.65   .   .   0.50   .   .    46   LYS+   HN   .   .   .   .   parsed_1rjv   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.33   .   .   0.50   .   .    57   GLY    HN   .   .   .   .   parsed_1rjv   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    22.05   .   .   0.50   .   .    69   LYS+   HN   .   .   .   .   parsed_1rjv   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    14.12   .   .   0.50   .   .    70   GLY    HN   .   .   .   .   parsed_1rjv   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    20.56   .   .   0.50   .   .    71   PHE    HN   .   .   .   .   parsed_1rjv   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    15.18   .   .   0.50   .   .    72   SER    HN   .   .   .   .   parsed_1rjv   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.51   .   .   0.50   .   .    75   ALA    HN   .   .   .   .   parsed_1rjv   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.28   .   .   0.50   .   .    76   ARG+   HN   .   .   .   .   parsed_1rjv   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -18.66   .   .   0.50   .   .    82   GLU-   HN   .   .   .   .   parsed_1rjv   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     8.03   .   .   0.50   .   .     1   MET    HN   .   .   .   .   parsed_1rjv   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    14.28   .   .   0.50   .   .     2   SER    HN   .   .   .   .   parsed_1rjv   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.91   .   .   0.50   .   .     3   MET    HN   .   .   .   .   parsed_1rjv   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -12.40   .   .   0.50   .   .     4   THR    HN   .   .   .   .   parsed_1rjv   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.64   .   .   0.50   .   .     5   ASP-   HN   .   .   .   .   parsed_1rjv   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.83   .   .   0.50   .   .     6   LEU    HN   .   .   .   .   parsed_1rjv   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -17.34   .   .   0.50   .   .     7   LEU    HN   .   .   .   .   parsed_1rjv   1   
        38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.52   .   .   0.50   .   .     8   ASN    HN   .   .   .   .   parsed_1rjv   1   
        39   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.51   .   .   0.50   .   .    22   THR    HN   .   .   .   .   parsed_1rjv   1   
        40   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    18.19   .   .   0.50   .   .    37   LYS+   HN   .   .   .   .   parsed_1rjv   1   
        41   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.37   .   .   0.50   .   .    38   LYS+   HN   .   .   .   .   parsed_1rjv   1   
        42   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    12.71   .   .   0.50   .   .    39   LYS+   HN   .   .   .   .   parsed_1rjv   1   
        43   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.52   .   .   0.50   .   .    40   SER    HN   .   .   .   .   parsed_1rjv   1   
        44   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.07   .   .   0.50   .   .    67   ILE    HN   .   .   .   .   parsed_1rjv   1   
        45   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -17.02   .   .   0.50   .   .    74   ASP-   HN   .   .   .   .   parsed_1rjv   1   
        46   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     9.49   .   .   0.50   .   .    78   LEU    HN   .   .   .   .   parsed_1rjv   1   
        47   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.87   .   .   0.50   .   .   109   GLU-   HN   .   .   .   .   parsed_1rjv   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   dyparva.rdc   2   1   2   12   parsed_1rjv   1   
    stop_

save_





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