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
142821 2kmn cing 2-parsed STAR dipolar coupling 84


data_2kmn_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2kmn 
    _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_2kmn   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2kmn 
    _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   2kmn   "Master copy"    parsed_2kmn   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2kmn 
    _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   2kmn.mr   .   .   "MR format"    1    comment                  "Not applicable"      "Not applicable"       0   parsed_2kmn   1   
        1   2kmn.mr   .   .    XPLOR/CNS     2    distance                  NOE                   simple             3229   parsed_2kmn   1   
        1   2kmn.mr   .   .    XPLOR/CNS     3   "dihedral angle"          "Not applicable"      "Not applicable"     338   parsed_2kmn   1   
        1   2kmn.mr   .   .    XPLOR/CNS     4    distance                 "hydrogen bond"        simple              158   parsed_2kmn   1   
        1   2kmn.mr   .   .    XPLOR/CNS     5    distance                 "general distance"     simple               14   parsed_2kmn   1   
        1   2kmn.mr   .   .    XPLOR/CNS     6   "coupling constant"       "Not applicable"      "Not applicable"       0   parsed_2kmn   1   
        1   2kmn.mr   .   .    XPLOR/CNS     7   "dipolar coupling"        "Not applicable"      "Not applicable"      84   parsed_2kmn   1   
        1   2kmn.mr   .   .   "MR format"    8   "nomenclature mapping"    "Not applicable"      "Not applicable"       0   parsed_2kmn   1   
    stop_

save_


save_CNS/XPLOR_dipolar_coupling_7
    _RDC_constraint_list.Sf_category         RDC_constraints 
    _RDC_constraint_list.Entry_ID            parsed_2kmn 
    _RDC_constraint_list.ID                  1 
    _RDC_constraint_list.Constraint_file_ID  1 
    _RDC_constraint_list.Block_ID            7 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -3.4666   .   .   .   .   .     5   .   N   .     5   .   HN   parsed_2kmn   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -2.7368   .   .   .   .   .     7   .   N   .     7   .   HN   parsed_2kmn   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -4.7438   .   .   .   .   .     8   .   N   .     8   .   HN   parsed_2kmn   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -1.6421   .   .   .   .   .    12   .   N   .    12   .   HN   parsed_2kmn   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    3.5882   .   .   .   .   .    13   .   N   .    13   .   HN   parsed_2kmn   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -1.8853   .   .   .   .   .    14   .   N   .    14   .   HN   parsed_2kmn   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -3.8923   .   .   .   .   .    15   .   N   .    15   .   HN   parsed_2kmn   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.0608   .   .   .   .   .    17   .   N   .    17   .   HN   parsed_2kmn   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -1.2772   .   .   .   .   .    18   .   N   .    18   .   HN   parsed_2kmn   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -1.8854   .   .   .   .   .    20   .   N   .    20   .   HN   parsed_2kmn   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.1556   .   .   .   .   .    22   .   N   .    22   .   HN   parsed_2kmn   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    4.4397   .   .   .   .   .    24   .   N   .    24   .   HN   parsed_2kmn   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -1.5205   .   .   .   .   .    26   .   N   .    26   .   HN   parsed_2kmn   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    4.2572   .   .   .   .   .    28   .   N   .    28   .   HN   parsed_2kmn   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -1.6421   .   .   .   .   .    29   .   N   .    29   .   HN   parsed_2kmn   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    4.1356   .   .   .   .   .    31   .   N   .    31   .   HN   parsed_2kmn   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -4.1356   .   .   .   .   .    33   .   N   .    33   .   HN   parsed_2kmn   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    2.9192   .   .   .   .   .    34   .   N   .    34   .   HN   parsed_2kmn   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    5.8385   .   .   .   .   .    35   .   N   .    35   .   HN   parsed_2kmn   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    2.6760   .   .   .   .   .    36   .   N   .    36   .   HN   parsed_2kmn   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.7298   .   .   .   .   .    37   .   N   .    37   .   HN   parsed_2kmn   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -3.5274   .   .   .   .   .    38   .   N   .    38   .   HN   parsed_2kmn   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    5.8993   .   .   .   .   .    39   .   N   .    39   .   HN   parsed_2kmn   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.9462   .   .   .   .   .    41   .   N   .    41   .   HN   parsed_2kmn   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    7.2982   .   .   .   .   .    42   .   N   .    42   .   HN   parsed_2kmn   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    2.0070   .   .   .   .   .    45   .   N   .    45   .   HN   parsed_2kmn   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    6.1426   .   .   .   .   .    46   .   N   .    46   .   HN   parsed_2kmn   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.2772   .   .   .   .   .    48   .   N   .    48   .   HN   parsed_2kmn   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.9731   .   .   .   .   .    49   .   N   .    49   .   HN   parsed_2kmn   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.7298   .   .   .   .   .    50   .   N   .    50   .   HN   parsed_2kmn   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.2433   .   .   .   .   .    51   .   N   .    51   .   HN   parsed_2kmn   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.4866   .   .   .   .   .    53   .   N   .    53   .   HN   parsed_2kmn   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.9731   .   .   .   .   .    54   .   N   .    54   .   HN   parsed_2kmn   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -3.8924   .   .   .   .   .    56   .   N   .    56   .   HN   parsed_2kmn   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.5812   .   .   .   .   .    57   .   N   .    57   .   HN   parsed_2kmn   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    3.3450   .   .   .   .   .    58   .   N   .    58   .   HN   parsed_2kmn   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    5.0479   .   .   .   .   .    59   .   N   .    59   .   HN   parsed_2kmn   1   
        38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    6.3859   .   .   .   .   .    60   .   N   .    60   .   HN   parsed_2kmn   1   
        39   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    2.1895   .   .   .   .   .    63   .   N   .    63   .   HN   parsed_2kmn   1   
        40   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.8514   .   .   .   .   .    64   .   N   .    64   .   HN   parsed_2kmn   1   
        41   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.6082   .   .   .   .   .    65   .   N   .    65   .   HN   parsed_2kmn   1   
        42   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    3.3450   .   .   .   .   .    66   .   N   .    66   .   HN   parsed_2kmn   1   
        43   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    2.1895   .   .   .   .   .    67   .   N   .    67   .   HN   parsed_2kmn   1   
        44   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.0609   .   .   .   .   .    69   .   N   .    69   .   HN   parsed_2kmn   1   
        45   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    4.9870   .   .   .   .   .    70   .   N   .    70   .   HN   parsed_2kmn   1   
        46   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.0947   .   .   .   .   .    72   .   N   .    72   .   HN   parsed_2kmn   1   
        47   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.7029   .   .   .   .   .    73   .   N   .    73   .   HN   parsed_2kmn   1   
        48   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.1216   .   .   .   .   .    74   .   N   .    74   .   HN   parsed_2kmn   1   
        49   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -1.3380   .   .   .   .   .    76   .   N   .    76   .   HN   parsed_2kmn   1   
        50   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -2.5544   .   .   .   .   .    79   .   N   .    79   .   HN   parsed_2kmn   1   
        51   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -2.4936   .   .   .   .   .    81   .   N   .    81   .   HN   parsed_2kmn   1   
        52   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -5.7169   .   .   .   .   .    85   .   N   .    85   .   HN   parsed_2kmn   1   
        53   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -2.4935   .   .   .   .   .    86   .   N   .    86   .   HN   parsed_2kmn   1   
        54   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.6082   .   .   .   .   .    87   .   N   .    87   .   HN   parsed_2kmn   1   
        55   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.0608   .   .   .   .   .    88   .   N   .    88   .   HN   parsed_2kmn   1   
        56   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    4.1357   .   .   .   .   .    90   .   N   .    90   .   HN   parsed_2kmn   1   
        57   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.9123   .   .   .   .   .    92   .   N   .    92   .   HN   parsed_2kmn   1   
        58   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.4596   .   .   .   .   .    95   .   N   .    95   .   HN   parsed_2kmn   1   
        59   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -1.2163   .   .   .   .   .   100   .   N   .   100   .   HN   parsed_2kmn   1   
        60   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -3.1017   .   .   .   .   .   102   .   N   .   102   .   HN   parsed_2kmn   1   
        61   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -1.0948   .   .   .   .   .   104   .   N   .   104   .   HN   parsed_2kmn   1   
        62   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -2.3110   .   .   .   .   .   105   .   N   .   105   .   HN   parsed_2kmn   1   
        63   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -3.7099   .   .   .   .   .   106   .   N   .   106   .   HN   parsed_2kmn   1   
        64   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -5.1695   .   .   .   .   .   108   .   N   .   108   .   HN   parsed_2kmn   1   
        65   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -1.5813   .   .   .   .   .   109   .   N   .   109   .   HN   parsed_2kmn   1   
        66   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.6081   .   .   .   .   .   110   .   N   .   110   .   HN   parsed_2kmn   1   
        67   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.4596   .   .   .   .   .   111   .   N   .   111   .   HN   parsed_2kmn   1   
        68   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    3.4666   .   .   .   .   .   112   .   N   .   112   .   HN   parsed_2kmn   1   
        69   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    4.6829   .   .   .   .   .   115   .   N   .   115   .   HN   parsed_2kmn   1   
        70   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.0608   .   .   .   .   .   118   .   N   .   118   .   HN   parsed_2kmn   1   
        71   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.2772   .   .   .   .   .   124   .   N   .   124   .   HN   parsed_2kmn   1   
        72   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -4.1965   .   .   .   .   .   127   .   N   .   127   .   HN   parsed_2kmn   1   
        73   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -5.7168   .   .   .   .   .   129   .   N   .   129   .   HN   parsed_2kmn   1   
        74   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -4.2573   .   .   .   .   .   130   .   N   .   130   .   HN   parsed_2kmn   1   
        75   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -4.3181   .   .   .   .   .   133   .   N   .   133   .   HN   parsed_2kmn   1   
        76   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -3.6491   .   .   .   .   .   134   .   N   .   134   .   HN   parsed_2kmn   1   
        77   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -4.8046   .   .   .   .   .   135   .   N   .   135   .   HN   parsed_2kmn   1   
        78   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -5.6561   .   .   .   .   .   136   .   N   .   136   .   HN   parsed_2kmn   1   
        79   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -3.9531   .   .   .   .   .   137   .   N   .   137   .   HN   parsed_2kmn   1   
        80   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -2.9193   .   .   .   .   .   138   .   N   .   138   .   HN   parsed_2kmn   1   
        81   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.8515   .   .   .   .   .   139   .   N   .   139   .   HN   parsed_2kmn   1   
        82   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.6690   .   .   .   .   .   141   .   N   .   141   .   HN   parsed_2kmn   1   
        83   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -1.9462   .   .   .   .   .   145   .   N   .   145   .   HN   parsed_2kmn   1   
        84   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.5813   .   .   .   .   .   146   .   N   .   146   .   HN   parsed_2kmn   1   
    stop_

save_





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