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
34949 1kqv cing 2-parsed STAR dipolar coupling 64


data_1kqv_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1kqv 
    _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_1kqv   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1kqv 
    _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   1kqv   "Master copy"    parsed_1kqv   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1kqv 
    _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   1kqv.mr   .   .   "MR format"     1    comment                       "Not applicable"      "Not applicable"       0   parsed_1kqv   1   
        1   1kqv.mr   .   .    n/a            2    comment                       "Not applicable"      "Not applicable"       0   parsed_1kqv   1   
        1   1kqv.mr   .   .    DYANA/DIANA    3    distance                       NOE                   simple               30   parsed_1kqv   1   
        1   1kqv.mr   .   .    n/a            4    comment                       "Not applicable"      "Not applicable"       0   parsed_1kqv   1   
        1   1kqv.mr   .   .    DYANA/DIANA    5    distance                      "hydrogen bond"        simple               30   parsed_1kqv   1   
        1   1kqv.mr   .   .    n/a            6    comment                       "Not applicable"      "Not applicable"       0   parsed_1kqv   1   
        1   1kqv.mr   .   .    DYANA/DIANA    7    distance                      "general distance"     simple               66   parsed_1kqv   1   
        1   1kqv.mr   .   .    n/a            8    comment                       "Not applicable"      "Not applicable"       0   parsed_1kqv   1   
        1   1kqv.mr   .   .    DYANA/DIANA    9    distance                      "general distance"     simple               55   parsed_1kqv   1   
        1   1kqv.mr   .   .    n/a           10    comment                       "Not applicable"      "Not applicable"       0   parsed_1kqv   1   
        1   1kqv.mr   .   .    DYANA/DIANA   11    distance                       NOE                   simple             2146   parsed_1kqv   1   
        1   1kqv.mr   .   .    n/a           12    comment                       "Not applicable"      "Not applicable"       0   parsed_1kqv   1   
        1   1kqv.mr   .   .    DYANA/DIANA   13   "pseudocontact shift"          "Not applicable"      "Not applicable"       0   parsed_1kqv   1   
        1   1kqv.mr   .   .    n/a           14    comment                       "Not applicable"      "Not applicable"       0   parsed_1kqv   1   
        1   1kqv.mr   .   .    DYANA/DIANA   15   "dipolar coupling"             "Not applicable"      "Not applicable"      64   parsed_1kqv   1   
        1   1kqv.mr   .   .    n/a           16    comment                       "Not applicable"      "Not applicable"       0   parsed_1kqv   1   
        1   1kqv.mr   .   .    DYANA/DIANA   17    distance                       NOE                   simple                0   parsed_1kqv   1   
        1   1kqv.mr   .   .    n/a           18    comment                       "Not applicable"      "Not applicable"       0   parsed_1kqv   1   
        1   1kqv.mr   .   .    unknown       19   "stereospecific assignment"    "Not applicable"      "Not applicable"       0   parsed_1kqv   1   
        1   1kqv.mr   .   .    n/a           20    comment                       "Not applicable"      "Not applicable"       0   parsed_1kqv   1   
        1   1kqv.mr   .   .    DYANA/DIANA   21    distance                      "hydrogen bond"        simple                0   parsed_1kqv   1   
        1   1kqv.mr   .   .    n/a           22    comment                       "Not applicable"      "Not applicable"       0   parsed_1kqv   1   
        1   1kqv.mr   .   .   "MR format"    23   "nomenclature mapping"         "Not applicable"      "Not applicable"       0   parsed_1kqv   1   
    stop_

save_


save_DYANA/DIANA_dipolar_coupling_15
    _RDC_constraint_list.Sf_category         RDC_constraints 
    _RDC_constraint_list.Entry_ID            parsed_1kqv 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.31   .   .   0.05   .   .    2   SER    HN   .   .   .   .   parsed_1kqv   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.66   .   .   0.05   .   .    4   GLU-   HN   .   .   .   .   parsed_1kqv   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.23   .   .   0.05   .   .    5   GLU-   HN   .   .   .   .   parsed_1kqv   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.77   .   .   0.05   .   .    6   LEU    HN   .   .   .   .   parsed_1kqv   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -1.06   .   .   0.05   .   .    7   LYS+   HN   .   .   .   .   parsed_1kqv   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.82   .   .   0.05   .   .    8   GLY    HN   .   .   .   .   parsed_1kqv   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.65   .   .   0.05   .   .    9   ILE    HN   .   .   .   .   parsed_1kqv   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -1.16   .   .   0.05   .   .   10   PHE    HN   .   .   .   .   parsed_1kqv   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -1.26   .   .   0.05   .   .   11   GLU-   HN   .   .   .   .   parsed_1kqv   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.53   .   .   0.05   .   .   12   LYS+   HN   .   .   .   .   parsed_1kqv   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.61   .   .   0.05   .   .   13   TYR    HN   .   .   .   .   parsed_1kqv   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -1.16   .   .   0.05   .   .   14   ALA    HN   .   .   .   .   parsed_1kqv   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.30   .   .   0.05   .   .   15   ALA    HN   .   .   .   .   parsed_1kqv   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.13   .   .   0.05   .   .   16   LYS+   HN   .   .   .   .   parsed_1kqv   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.02   .   .   0.05   .   .   17   GLU-   HN   .   .   .   .   parsed_1kqv   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.12   .   .   0.05   .   .   18   GLY    HN   .   .   .   .   parsed_1kqv   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.15   .   .   0.05   .   .   19   ASP-   HN   .   .   .   .   parsed_1kqv   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.15   .   .   0.05   .   .   21   ASN    HN   .   .   .   .   parsed_1kqv   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.22   .   .   0.05   .   .   22   GLN    HN   .   .   .   .   parsed_1kqv   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.07   .   .   0.05   .   .   23   LEU    HN   .   .   .   .   parsed_1kqv   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.46   .   .   0.05   .   .   24   SER    HN   .   .   .   .   parsed_1kqv   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.13   .   .   0.05   .   .   25   LYS+   HN   .   .   .   .   parsed_1kqv   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.17   .   .   0.05   .   .   26   GLU-   HN   .   .   .   .   parsed_1kqv   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.60   .   .   0.05   .   .   27   GLU-   HN   .   .   .   .   parsed_1kqv   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.05   .   .   0.05   .   .   28   LEU    HN   .   .   .   .   parsed_1kqv   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.18   .   .   0.05   .   .   29   LYS+   HN   .   .   .   .   parsed_1kqv   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.29   .   .   0.05   .   .   30   LEU    HN   .   .   .   .   parsed_1kqv   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.21   .   .   0.05   .   .   31   LEU    HN   .   .   .   .   parsed_1kqv   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.01   .   .   0.05   .   .   32   LEU    HN   .   .   .   .   parsed_1kqv   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.14   .   .   0.05   .   .   33   GLN    HN   .   .   .   .   parsed_1kqv   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.33   .   .   0.05   .   .   34   THR    HN   .   .   .   .   parsed_1kqv   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.08   .   .   0.05   .   .   35   GLU-   HN   .   .   .   .   parsed_1kqv   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -1.01   .   .   0.05   .   .   36   PHE    HN   .   .   .   .   parsed_1kqv   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.50   .   .   0.05   .   .   38   SER    HN   .   .   .   .   parsed_1kqv   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.41   .   .   0.05   .   .   39   LEU    HN   .   .   .   .   parsed_1kqv   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.33   .   .   0.05   .   .   40   LEU    HN   .   .   .   .   parsed_1kqv   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.49   .   .   0.05   .   .   41   LYS+   HN   .   .   .   .   parsed_1kqv   1   
        38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.39   .   .   0.05   .   .   42   GLY    HN   .   .   .   .   parsed_1kqv   1   
        39   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.91   .   .   0.05   .   .   43   MET    HN   .   .   .   .   parsed_1kqv   1   
        40   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.28   .   .   0.05   .   .   44   SER    HN   .   .   .   .   parsed_1kqv   1   
        41   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.38   .   .   0.05   .   .   45   THR    HN   .   .   .   .   parsed_1kqv   1   
        42   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.41   .   .   0.05   .   .   46   LEU    HN   .   .   .   .   parsed_1kqv   1   
        43   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.41   .   .   0.05   .   .   47   ASP-   HN   .   .   .   .   parsed_1kqv   1   
        44   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.19   .   .   0.05   .   .   48   GLU-   HN   .   .   .   .   parsed_1kqv   1   
        45   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.20   .   .   0.05   .   .   49   LEU    HN   .   .   .   .   parsed_1kqv   1   
        46   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.74   .   .   0.05   .   .   50   PHE    HN   .   .   .   .   parsed_1kqv   1   
        47   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.27   .   .   0.05   .   .   51   GLU-   HN   .   .   .   .   parsed_1kqv   1   
        48   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.23   .   .   0.05   .   .   52   GLU-   HN   .   .   .   .   parsed_1kqv   1   
        49   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.28   .   .   0.05   .   .   53   LEU    HN   .   .   .   .   parsed_1kqv   1   
        50   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.63   .   .   0.05   .   .   54   ASP-   HN   .   .   .   .   parsed_1kqv   1   
        51   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.08   .   .   0.05   .   .   61   VAL    HN   .   .   .   .   parsed_1kqv   1   
        52   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.31   .   .   0.05   .   .   63   PHE    HN   .   .   .   .   parsed_1kqv   1   
        53   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.14   .   .   0.05   .   .   64   GLU-   HN   .   .   .   .   parsed_1kqv   1   
        54   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.04   .   .   0.05   .   .   65   GLU-   HN   .   .   .   .   parsed_1kqv   1   
        55   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.27   .   .   0.05   .   .   66   PHE    HN   .   .   .   .   parsed_1kqv   1   
        56   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.38   .   .   0.05   .   .   67   GLN    HN   .   .   .   .   parsed_1kqv   1   
        57   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.29   .   .   0.05   .   .   68   VAL    HN   .   .   .   .   parsed_1kqv   1   
        58   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.37   .   .   0.05   .   .   69   LEU    HN   .   .   .   .   parsed_1kqv   1   
        59   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.41   .   .   0.05   .   .   70   VAL    HN   .   .   .   .   parsed_1kqv   1   
        60   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.12   .   .   0.05   .   .   71   LYS+   HN   .   .   .   .   parsed_1kqv   1   
        61   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.10   .   .   0.05   .   .   72   LYS+   HN   .   .   .   .   parsed_1kqv   1   
        62   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.20   .   .   0.05   .   .   73   ILE    HN   .   .   .   .   parsed_1kqv   1   
        63   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.18   .   .   0.05   .   .   74   SER    HN   .   .   .   .   parsed_1kqv   1   
        64   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.17   .   .   0.55   .   .   75   GLN    HN   .   .   .   .   parsed_1kqv   1   
    stop_

save_





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