NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing in_recoord stage program type item_count
34440 1jwe 4297 cing recoord 2-parsed STAR dipolar coupling 84


data_1jwe_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1jwe 
    _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_1jwe   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1jwe 
    _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   1jwe   "Master copy"    parsed_1jwe   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1jwe 
    _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   1jwe.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"       0   parsed_1jwe   1   
        1   1jwe.mr   .   .    DYANA/DIANA   2    distance                  NOE                 simple             1194   parsed_1jwe   1   
        1   1jwe.mr   .   .    DYANA/DIANA   3   "dihedral angle"          "Not applicable"    "Not applicable"     262   parsed_1jwe   1   
        1   1jwe.mr   .   .    DYANA/DIANA   4   "dipolar coupling"        "Not applicable"    "Not applicable"      84   parsed_1jwe   1   
        1   1jwe.mr   .   .   "MR format"    5   "nomenclature mapping"    "Not applicable"    "Not applicable"       0   parsed_1jwe   1   
    stop_

save_


save_DYANA/DIANA_dipolar_coupling_4
    _RDC_constraint_list.Sf_category         RDC_constraints 
    _RDC_constraint_list.Entry_ID            parsed_1jwe 
    _RDC_constraint_list.ID                  1 
    _RDC_constraint_list.Constraint_file_ID  1 
    _RDC_constraint_list.Block_ID            4 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4   .   .   2.0   .   .    30   ILE    HN    .   .   .   .   parsed_1jwe   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    12   .   .   2.0   .   .    31   GLU-   HN    .   .   .   .   parsed_1jwe   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    15   .   .   2.0   .   .    32   ALA    HN    .   .   .   .   parsed_1jwe   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5   .   .   2.0   .   .    33   GLU-   HN    .   .   .   .   parsed_1jwe   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7   .   .   2.0   .   .    34   GLN    HN    .   .   .   .   parsed_1jwe   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    17   .   .   2.0   .   .    35   SER    HN    .   .   .   .   parsed_1jwe   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     9   .   .   2.0   .   .    36   VAL    HN    .   .   .   .   parsed_1jwe   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7   .   .   2.0   .   .    37   LEU    HN    .   .   .   .   parsed_1jwe   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    12   .   .   2.0   .   .    38   GLY    HN    .   .   .   .   parsed_1jwe   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    15   .   .   2.0   .   .    39   GLY    HN    .   .   .   .   parsed_1jwe   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     8   .   .   2.0   .   .    40   LEU    HN    .   .   .   .   parsed_1jwe   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6   .   .   2.0   .   .    41   MET    HN    .   .   .   .   parsed_1jwe   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    17   .   .   2.0   .   .    42   LEU    HN    .   .   .   .   parsed_1jwe   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     8   .   .   2.0   .   .    43   ASP-   HN    .   .   .   .   parsed_1jwe   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    14   .   .   2.0   .   .    44   ASN    HN    .   .   .   .   parsed_1jwe   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6   .   .   2.0   .   .    45   GLU-   HN    .   .   .   .   parsed_1jwe   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0   .   .   2.0   .   .    46   ARG+   HN    .   .   .   .   parsed_1jwe   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    19   .   .   2.0   .   .    47   TRP    HN    .   .   .   .   parsed_1jwe   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -10   .   .   2.0   .   .    47   TRP    HE1   .   .   .   .   parsed_1jwe   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    12   .   .   2.0   .   .    48   ASP-   HN    .   .   .   .   parsed_1jwe   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     9   .   .   2.0   .   .    49   ASP-   HN    .   .   .   .   parsed_1jwe   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    18   .   .   2.0   .   .    50   VAL    HN    .   .   .   .   parsed_1jwe   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    11   .   .   2.0   .   .    51   ALA    HN    .   .   .   .   parsed_1jwe   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    17   .   .   2.0   .   .    53   ARG+   HN    .   .   .   .   parsed_1jwe   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    14   .   .   2.0   .   .    54   VAL    HN    .   .   .   .   parsed_1jwe   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7   .   .   2.0   .   .    55   VAL    HN    .   .   .   .   parsed_1jwe   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1   .   .   2.0   .   .    56   ALA    HN    .   .   .   .   parsed_1jwe   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9   .   .   2.0   .   .    57   ASP-   HN    .   .   .   .   parsed_1jwe   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3   .   .   2.0   .   .    65   ARG+   HN    .   .   .   .   parsed_1jwe   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3   .   .   2.0   .   .    66   HIS    HN    .   .   .   .   parsed_1jwe   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2   .   .   2.0   .   .    67   ILE    HN    .   .   .   .   parsed_1jwe   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7   .   .   2.0   .   .    68   PHE    HN    .   .   .   .   parsed_1jwe   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2   .   .   2.0   .   .    69   THR    HN    .   .   .   .   parsed_1jwe   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5   .   .   2.0   .   .    70   GLU-   HN    .   .   .   .   parsed_1jwe   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6   .   .   2.0   .   .    71   MET    HN    .   .   .   .   parsed_1jwe   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5   .   .   2.0   .   .    72   ALA    HN    .   .   .   .   parsed_1jwe   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5   .   .   2.0   .   .    73   ARG+   HN    .   .   .   .   parsed_1jwe   1   
        38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0   .   .   2.0   .   .    74   LEU    HN    .   .   .   .   parsed_1jwe   1   
        39   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7   .   .   2.0   .   .    75   GLN    HN    .   .   .   .   parsed_1jwe   1   
        40   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0   .   .   2.0   .   .    76   GLU-   HN    .   .   .   .   parsed_1jwe   1   
        41   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7   .   .   2.0   .   .    77   SER    HN    .   .   .   .   parsed_1jwe   1   
        42   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    17   .   .   2.0   .   .    78   GLY    HN    .   .   .   .   parsed_1jwe   1   
        43   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     8   .   .   2.0   .   .    79   SER    HN    .   .   .   .   parsed_1jwe   1   
        44   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9   .   .   2.0   .   .    81   ILE    HN    .   .   .   .   parsed_1jwe   1   
        45   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4   .   .   2.0   .   .    82   ASP-   HN    .   .   .   .   parsed_1jwe   1   
        46   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -10   .   .   2.0   .   .    83   LEU    HN    .   .   .   .   parsed_1jwe   1   
        47   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8   .   .   2.0   .   .    84   ILE    HN    .   .   .   .   parsed_1jwe   1   
        48   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6   .   .   2.0   .   .    85   THR    HN    .   .   .   .   parsed_1jwe   1   
        49   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -14   .   .   2.0   .   .    86   LEU    HN    .   .   .   .   parsed_1jwe   1   
        50   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -10   .   .   2.0   .   .    87   ALA    HN    .   .   .   .   parsed_1jwe   1   
        51   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9   .   .   2.0   .   .    88   GLU-   HN    .   .   .   .   parsed_1jwe   1   
        52   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -10   .   .   2.0   .   .    89   SER    HN    .   .   .   .   parsed_1jwe   1   
        53   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -13   .   .   2.0   .   .    90   LEU    HN    .   .   .   .   parsed_1jwe   1   
        54   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9   .   .   2.0   .   .    91   GLU-   HN    .   .   .   .   parsed_1jwe   1   
        55   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8   .   .   2.0   .   .    92   ARG+   HN    .   .   .   .   parsed_1jwe   1   
        56   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9   .   .   2.0   .   .    93   GLN    HN    .   .   .   .   parsed_1jwe   1   
        57   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5   .   .   2.0   .   .    94   GLY    HN    .   .   .   .   parsed_1jwe   1   
        58   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3   .   .   2.0   .   .    95   GLN    HN    .   .   .   .   parsed_1jwe   1   
        59   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    11   .   .   2.0   .   .    96   LEU    HN    .   .   .   .   parsed_1jwe   1   
        60   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0   .   .   2.0   .   .    97   ASP-   HN    .   .   .   .   parsed_1jwe   1   
        61   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9   .   .   2.0   .   .   104   TYR    HN    .   .   .   .   parsed_1jwe   1   
        62   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0   .   .   2.0   .   .   105   LEU    HN    .   .   .   .   parsed_1jwe   1   
        63   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5   .   .   2.0   .   .   106   ALA    HN    .   .   .   .   parsed_1jwe   1   
        64   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -11   .   .   2.0   .   .   107   GLU-   HN    .   .   .   .   parsed_1jwe   1   
        65   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5   .   .   2.0   .   .   108   LEU    HN    .   .   .   .   parsed_1jwe   1   
        66   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2   .   .   2.0   .   .   109   SER    HN    .   .   .   .   parsed_1jwe   1   
        67   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7   .   .   2.0   .   .   110   LYS+   HN    .   .   .   .   parsed_1jwe   1   
        68   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -10   .   .   2.0   .   .   111   ASN    HN    .   .   .   .   parsed_1jwe   1   
        69   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     8   .   .   2.0   .   .   118   ILE    HN    .   .   .   .   parsed_1jwe   1   
        70   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3   .   .   2.0   .   .   119   SER    HN    .   .   .   .   parsed_1jwe   1   
        71   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3   .   .   2.0   .   .   120   ALA    HN    .   .   .   .   parsed_1jwe   1   
        72   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    11   .   .   2.0   .   .   121   TYR    HN    .   .   .   .   parsed_1jwe   1   
        73   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3   .   .   2.0   .   .   122   ALA    HN    .   .   .   .   parsed_1jwe   1   
        74   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4   .   .   2.0   .   .   123   ASP-   HN    .   .   .   .   parsed_1jwe   1   
        75   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     8   .   .   2.0   .   .   124   ILE    HN    .   .   .   .   parsed_1jwe   1   
        76   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     8   .   .   2.0   .   .   125   VAL    HN    .   .   .   .   parsed_1jwe   1   
        77   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0   .   .   2.0   .   .   126   ARG+   HN    .   .   .   .   parsed_1jwe   1   
        78   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0   .   .   2.0   .   .   127   GLU-   HN    .   .   .   .   parsed_1jwe   1   
        79   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    13   .   .   2.0   .   .   128   ARG+   HN    .   .   .   .   parsed_1jwe   1   
        80   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3   .   .   2.0   .   .   129   ALA    HN    .   .   .   .   parsed_1jwe   1   
        81   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4   .   .   2.0   .   .   130   VAL    HN    .   .   .   .   parsed_1jwe   1   
        82   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4   .   .   2.0   .   .   131   VAL    HN    .   .   .   .   parsed_1jwe   1   
        83   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     8   .   .   2.0   .   .   132   ARG+   HN    .   .   .   .   parsed_1jwe   1   
        84   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1   .   .   2.0   .   .   133   GLU-   HN    .   .   .   .   parsed_1jwe   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   "################################################"     1   1   1   50   parsed_1jwe   1   
        2   "RESIDUAL DIPOLAR COUPLINGS 15N-1H"                    2   1   2   34   parsed_1jwe   1   
        3   "DYANA FORMAT"                                         3   1   3   13   parsed_1jwe   1   
        4   "NOT USED for FINAL RESTRAINED ENERGY MINIMIZATION"    4   1   4   50   parsed_1jwe   1   
        5   "#################################################"    5   1   5   51   parsed_1jwe   1   
    stop_

save_





Please acknowledge these references in publications where the data from this site have been utilized.

Contact the webmaster for help, if required. Sunday, March 29, 2020 9:43:47 AM GMT (wattos1)