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
531593 2lm5 18099 cing 2-parsed STAR dipolar coupling 74


data_2lm5_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2lm5 
    _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_2lm5   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2lm5 
    _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   2lm5   "Master copy"    parsed_2lm5   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2lm5 
    _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   2lm5.mr   .   .   "MR format"    1    comment                  "Not applicable"      "Not applicable"      0   parsed_2lm5   1   
        1   2lm5.mr   .   .    XPLOR/CNS     2   "dipolar coupling"        "Not applicable"      "Not applicable"    104   parsed_2lm5   1   
        1   2lm5.mr   .   .    XPLOR/CNS     3   "dipolar coupling"        "Not applicable"      "Not applicable"     74   parsed_2lm5   1   
        1   2lm5.mr   .   .    XPLOR/CNS     4   "dihedral angle"          "Not applicable"      "Not applicable"      0   parsed_2lm5   1   
        1   2lm5.mr   .   .    XPLOR/CNS     5    distance                 "hydrogen bond"        simple               0   parsed_2lm5   1   
        1   2lm5.mr   .   .    XPLOR/CNS     6    distance                 "general distance"     simple               0   parsed_2lm5   1   
        1   2lm5.mr   .   .   "MR format"    7   "nomenclature mapping"    "Not applicable"      "Not applicable"      0   parsed_2lm5   1   
    stop_

save_


save_CNS/XPLOR_dipolar_coupling_3
    _RDC_constraint_list.Sf_category         RDC_constraints 
    _RDC_constraint_list.Entry_ID            parsed_2lm5 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     8.3972   .   .   .   .   .    12   .   N   .    12   .   HN   parsed_2lm5   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.5323   .   .   .   .   .    20   .   N   .    20   .   HN   parsed_2lm5   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.2966   .   .   .   .   .    22   .   N   .    22   .   HN   parsed_2lm5   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -10.8551   .   .   .   .   .    31   .   N   .    31   .   HN   parsed_2lm5   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -10.4558   .   .   .   .   .    35   .   N   .    35   .   HN   parsed_2lm5   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -10.3230   .   .   .   .   .    38   .   N   .    38   .   HN   parsed_2lm5   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.4595   .   .   .   .   .    41   .   N   .    41   .   HN   parsed_2lm5   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.3773   .   .   .   .   .    43   .   N   .    43   .   HN   parsed_2lm5   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    12.8773   .   .   .   .   .    46   .   N   .    46   .   HN   parsed_2lm5   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.0080   .   .   .   .   .    47   .   N   .    47   .   HN   parsed_2lm5   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    15.1934   .   .   .   .   .    48   .   N   .    48   .   HN   parsed_2lm5   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.0699   .   .   .   .   .    50   .   N   .    50   .   HN   parsed_2lm5   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.6718   .   .   .   .   .    51   .   N   .    51   .   HN   parsed_2lm5   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.9032   .   .   .   .   .    53   .   N   .    53   .   HN   parsed_2lm5   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.8113   .   .   .   .   .    56   .   N   .    56   .   HN   parsed_2lm5   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.6490   .   .   .   .   .    57   .   N   .    57   .   HN   parsed_2lm5   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.9020   .   .   .   .   .    60   .   N   .    60   .   HN   parsed_2lm5   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    19.5503   .   .   .   .   .    63   .   N   .    63   .   HN   parsed_2lm5   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.1997   .   .   .   .   .    65   .   N   .    65   .   HN   parsed_2lm5   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.7034   .   .   .   .   .    69   .   N   .    69   .   HN   parsed_2lm5   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.3009   .   .   .   .   .    76   .   N   .    76   .   HN   parsed_2lm5   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.6250   .   .   .   .   .    77   .   N   .    77   .   HN   parsed_2lm5   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     8.2989   .   .   .   .   .    79   .   N   .    79   .   HN   parsed_2lm5   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    13.3831   .   .   .   .   .    82   .   N   .    82   .   HN   parsed_2lm5   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.5095   .   .   .   .   .    83   .   N   .    83   .   HN   parsed_2lm5   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.8595   .   .   .   .   .    84   .   N   .    84   .   HN   parsed_2lm5   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.3099   .   .   .   .   .    85   .   N   .    85   .   HN   parsed_2lm5   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.6762   .   .   .   .   .    86   .   N   .    86   .   HN   parsed_2lm5   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    10.6129   .   .   .   .   .    88   .   N   .    88   .   HN   parsed_2lm5   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.4952   .   .   .   .   .    90   .   N   .    90   .   HN   parsed_2lm5   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -11.0508   .   .   .   .   .   102   .   N   .   102   .   HN   parsed_2lm5   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.3222   .   .   .   .   .   116   .   N   .   116   .   HN   parsed_2lm5   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.7781   .   .   .   .   .   118   .   N   .   118   .   HN   parsed_2lm5   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.4969   .   .   .   .   .   121   .   N   .   121   .   HN   parsed_2lm5   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.1579   .   .   .   .   .   123   .   N   .   123   .   HN   parsed_2lm5   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -15.8796   .   .   .   .   .   130   .   N   .   130   .   HN   parsed_2lm5   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.2584   .   .   .   .   .   132   .   N   .   132   .   HN   parsed_2lm5   1   
        38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.0873   .   .   .   .   .   134   .   N   .   134   .   HN   parsed_2lm5   1   
        39   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.0350   .   .   .   .   .   136   .   N   .   136   .   HN   parsed_2lm5   1   
        40   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.6724   .   .   .   .   .   137   .   N   .   137   .   HN   parsed_2lm5   1   
        41   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.2640   .   .   .   .   .   139   .   N   .   139   .   HN   parsed_2lm5   1   
        42   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.1787   .   .   .   .   .   142   .   N   .   142   .   HN   parsed_2lm5   1   
        43   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.0381   .   .   .   .   .   143   .   N   .   143   .   HN   parsed_2lm5   1   
        44   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.6689   .   .   .   .   .   150   .   N   .   150   .   HN   parsed_2lm5   1   
        45   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.4768   .   .   .   .   .   151   .   N   .   151   .   HN   parsed_2lm5   1   
        46   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     9.6505   .   .   .   .   .   162   .   N   .   162   .   HN   parsed_2lm5   1   
        47   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.2296   .   .   .   .   .   164   .   N   .   164   .   HN   parsed_2lm5   1   
        48   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.6013   .   .   .   .   .   166   .   N   .   166   .   HN   parsed_2lm5   1   
        49   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -14.4899   .   .   .   .   .   168   .   N   .   168   .   HN   parsed_2lm5   1   
        50   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.2983   .   .   .   .   .   172   .   N   .   172   .   HN   parsed_2lm5   1   
        51   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.8569   .   .   .   .   .   177   .   N   .   177   .   HN   parsed_2lm5   1   
        52   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.1379   .   .   .   .   .   180   .   N   .   180   .   HN   parsed_2lm5   1   
        53   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.7060   .   .   .   .   .   190   .   N   .   190   .   HN   parsed_2lm5   1   
        54   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.3864   .   .   .   .   .     7   .   C   .     8   .   N    parsed_2lm5   1   
        55   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    29.8938   .   .   .   .   .     8   .   C   .     9   .   N    parsed_2lm5   1   
        56   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    22.6303   .   .   .   .   .    21   .   C   .    22   .   N    parsed_2lm5   1   
        57   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.0539   .   .   .   .   .    23   .   C   .    24   .   N    parsed_2lm5   1   
        58   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    10.6100   .   .   .   .   .    31   .   C   .    32   .   N    parsed_2lm5   1   
        59   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -17.1529   .   .   .   .   .    34   .   C   .    35   .   N    parsed_2lm5   1   
        60   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    29.8496   .   .   .   .   .    52   .   C   .    53   .   N    parsed_2lm5   1   
        61   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.2794   .   .   .   .   .    55   .   C   .    56   .   N    parsed_2lm5   1   
        62   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -27.5286   .   .   .   .   .    56   .   C   .    57   .   N    parsed_2lm5   1   
        63   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.8108   .   .   .   .   .    59   .   C   .    60   .   N    parsed_2lm5   1   
        64   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.1370   .   .   .   .   .    70   .   C   .    71   .   N    parsed_2lm5   1   
        65   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.5217   .   .   .   .   .    72   .   C   .    73   .   N    parsed_2lm5   1   
        66   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -26.1361   .   .   .   .   .    84   .   C   .    85   .   N    parsed_2lm5   1   
        67   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.8682   .   .   .   .   .    85   .   C   .    86   .   N    parsed_2lm5   1   
        68   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    16.4058   .   .   .   .   .   119   .   C   .   120   .   N    parsed_2lm5   1   
        69   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -20.2342   .   .   .   .   .   121   .   C   .   122   .   N    parsed_2lm5   1   
        70   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    18.7311   .   .   .   .   .   144   .   C   .   145   .   N    parsed_2lm5   1   
        71   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -18.4747   .   .   .   .   .   153   .   C   .   154   .   N    parsed_2lm5   1   
        72   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -22.7851   .   .   .   .   .   162   .   C   .   163   .   N    parsed_2lm5   1   
        73   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    11.4058   .   .   .   .   .   188   .   C   .   189   .   N    parsed_2lm5   1   
        74   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.5888   .   .   .   .   .   189   .   C   .   190   .   N    parsed_2lm5   1   
    stop_

save_





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