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
614299 2h41 7127 cing 2-parsed STAR dipolar coupling 50


data_2h41_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2h41 
    _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_2h41   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2h41 
    _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   2h41   "Master copy"    parsed_2h41   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2h41 
    _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   2h41.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"       0   parsed_2h41   1   
        1   2h41.mr   .   .    XPLOR/CNS     2    distance                  NOE                 simple             1285   parsed_2h41   1   
        1   2h41.mr   .   .    XPLOR/CNS     3    distance                  NOE                 simple             1065   parsed_2h41   1   
        1   2h41.mr   .   .    XPLOR/CNS     4    distance                  NOE                 ambi                 27   parsed_2h41   1   
        1   2h41.mr   .   .    XPLOR/CNS     5    unknown                  "Not applicable"    "Not applicable"       0   parsed_2h41   1   
        1   2h41.mr   .   .    XPLOR/CNS     6   "dihedral angle"          "Not applicable"    "Not applicable"     159   parsed_2h41   1   
        1   2h41.mr   .   .    XPLOR/CNS     7   "dipolar coupling"        "Not applicable"    "Not applicable"      50   parsed_2h41   1   
        1   2h41.mr   .   .    XPLOR/CNS     8   "chemical shift"          "Not applicable"    "Not applicable"       0   parsed_2h41   1   
        1   2h41.mr   .   .   "MR format"    9   "nomenclature mapping"    "Not applicable"    "Not applicable"       0   parsed_2h41   1   
    stop_

save_


save_CNS/XPLOR_dipolar_coupling_7
    _RDC_constraint_list.Sf_category         RDC_constraints 
    _RDC_constraint_list.Entry_ID            parsed_2h41 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -4.5048   .   .   .   .   .   22   .   N     .   22   .   HN    parsed_2h41   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -3.5372   .   .   .   .   .   23   .   N     .   23   .   HN    parsed_2h41   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -7.5165   .   .   .   .   .   24   .   N     .   24   .   HN    parsed_2h41   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -5.1895   .   .   .   .   .   25   .   N     .   25   .   HN    parsed_2h41   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -4.8438   .   .   .   .   .   26   .   N     .   26   .   HN    parsed_2h41   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -2.6230   .   .   .   .   .   27   .   N     .   27   .   HN    parsed_2h41   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -1.9091   .   .   .   .   .   34   .   N     .   34   .   HN    parsed_2h41   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -4.8271   .   .   .   .   .   35   .   N     .   35   .   HN    parsed_2h41   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -3.5126   .   .   .   .   .   36   .   N     .   36   .   HN    parsed_2h41   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -5.4639   .   .   .   .   .   37   .   N     .   37   .   HN    parsed_2h41   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -7.5097   .   .   .   .   .   38   .   N     .   38   .   HN    parsed_2h41   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -6.4921   .   .   .   .   .   39   .   N     .   39   .   HN    parsed_2h41   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -8.8066   .   .   .   .   .   40   .   N     .   40   .   HN    parsed_2h41   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -7.7969   .   .   .   .   .   41   .   N     .   41   .   HN    parsed_2h41   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -7.3154   .   .   .   .   .   42   .   N     .   42   .   HN    parsed_2h41   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -7.4111   .   .   .   .   .   51   .   N     .   51   .   HN    parsed_2h41   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -4.0039   .   .   .   .   .   53   .   N     .   53   .   HN    parsed_2h41   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -2.1006   .   .   .   .   .   54   .   N     .   54   .   HN    parsed_2h41   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -3.4629   .   .   .   .   .   56   .   N     .   56   .   HN    parsed_2h41   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -7.7573   .   .   .   .   .   57   .   N     .   57   .   HN    parsed_2h41   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -2.0429   .   .   .   .   .   58   .   N     .   58   .   HN    parsed_2h41   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.7392   .   .   .   .   .   59   .   N     .   59   .   HN    parsed_2h41   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -7.1679   .   .   .   .   .   60   .   N     .   60   .   HN    parsed_2h41   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -5.6192   .   .   .   .   .   61   .   N     .   61   .   HN    parsed_2h41   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -4.5908   .   .   .   .   .   62   .   N     .   62   .   HN    parsed_2h41   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -7.2236   .   .   .   .   .   63   .   N     .   63   .   HN    parsed_2h41   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.6006   .   .   .   .   .   65   .   N     .   65   .   HN    parsed_2h41   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -2.1074   .   .   .   .   .   66   .   N     .   66   .   HN    parsed_2h41   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    4.0634   .   .   .   .   .   67   .   N     .   67   .   HN    parsed_2h41   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.5527   .   .   .   .   .   69   .   N     .   69   .   HN    parsed_2h41   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.8974   .   .   .   .   .   70   .   N     .   70   .   HN    parsed_2h41   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.5537   .   .   .   .   .   71   .   N     .   71   .   HN    parsed_2h41   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -3.8379   .   .   .   .   .   72   .   N     .   72   .   HN    parsed_2h41   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -8.8125   .   .   .   .   .   74   .   N     .   74   .   HN    parsed_2h41   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -7.1679   .   .   .   .   .   75   .   N     .   75   .   HN    parsed_2h41   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -8.3017   .   .   .   .   .   76   .   N     .   76   .   HN    parsed_2h41   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -3.8544   .   .   .   .   .   77   .   N     .   77   .   HN    parsed_2h41   1   
        38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.3720   .   .   .   .   .   79   .   N     .   79   .   HN    parsed_2h41   1   
        39   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.9726   .   .   .   .   .   80   .   N     .   80   .   HN    parsed_2h41   1   
        40   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -6.9979   .   .   .   .   .   82   .   N     .   82   .   HN    parsed_2h41   1   
        41   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -2.0380   .   .   .   .   .   83   .   N     .   83   .   HN    parsed_2h41   1   
        42   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    4.9570   .   .   .   .   .   84   .   N     .   84   .   HN    parsed_2h41   1   
        43   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -1.4872   .   .   .   .   .   85   .   N     .   85   .   HN    parsed_2h41   1   
        44   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -1.8467   .   .   .   .   .   86   .   N     .   86   .   HN    parsed_2h41   1   
        45   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.6923   .   .   .   .   .   87   .   N     .   87   .   HN    parsed_2h41   1   
        46   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -3.7373   .   .   .   .   .   88   .   N     .   88   .   HN    parsed_2h41   1   
        47   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -7.3056   .   .   .   .   .   89   .   N     .   89   .   HN    parsed_2h41   1   
        48   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -7.4609   .   .   .   .   .   90   .   N     .   90   .   HN    parsed_2h41   1   
        49   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -5.2519   .   .   .   .   .   93   .   N     .   93   .   HN    parsed_2h41   1   
        50   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    2.2763   .   .   .   .   .   26   .   NE1   .   26   .   HE1   parsed_2h41   1   
    stop_

save_





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