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
46664 2f40 cing 2-parsed STAR dipolar coupling 62


data_2f40_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2f40 
    _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_2f40   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2f40 
    _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   2f40   "Master copy"    parsed_2f40   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2f40 
    _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   2f40.mr   .   .   "MR format"     1    comment                  "Not applicable"    "Not applicable"     0   parsed_2f40   1   
        1   2f40.mr   .   .    n/a            2    comment                  "Not applicable"    "Not applicable"     0   parsed_2f40   1   
        1   2f40.mr   .   .    XPLOR/CNS      3    distance                  NOE                 simple             73   parsed_2f40   1   
        1   2f40.mr   .   .    n/a            4    comment                  "Not applicable"    "Not applicable"     0   parsed_2f40   1   
        1   2f40.mr   .   .    XPLOR/CNS      5   "dipolar coupling"        "Not applicable"    "Not applicable"    62   parsed_2f40   1   
        1   2f40.mr   .   .    n/a            6    comment                  "Not applicable"    "Not applicable"     0   parsed_2f40   1   
        1   2f40.mr   .   .    XPLOR/CNS      7   "dipolar coupling"        "Not applicable"    "Not applicable"     0   parsed_2f40   1   
        1   2f40.mr   .   .    n/a            8    comment                  "Not applicable"    "Not applicable"     0   parsed_2f40   1   
        1   2f40.mr   .   .    XPLOR/CNS      9   "dipolar coupling"        "Not applicable"    "Not applicable"     0   parsed_2f40   1   
        1   2f40.mr   .   .    n/a           10    comment                  "Not applicable"    "Not applicable"     0   parsed_2f40   1   
        1   2f40.mr   .   .    XPLOR/CNS     11   "dihedral angle"          "Not applicable"    "Not applicable"     0   parsed_2f40   1   
        1   2f40.mr   .   .    unknown       12   "coupling constant"       "Not applicable"    "Not applicable"     0   parsed_2f40   1   
        1   2f40.mr   .   .   "MR format"    13   "nomenclature mapping"    "Not applicable"    "Not applicable"     0   parsed_2f40   1   
    stop_

save_


save_CNS/XPLOR_dipolar_coupling_5
    _RDC_constraint_list.Sf_category         RDC_constraints 
    _RDC_constraint_list.Entry_ID            parsed_2f40 
    _RDC_constraint_list.ID                  1 
    _RDC_constraint_list.Constraint_file_ID  1 
    _RDC_constraint_list.Block_ID            5 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.939   .   .   .   .   .   51   .   N   .   51   .   HN   parsed_2f40   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.645   .   .   .   .   .   32   .   N   .   32   .   HN   parsed_2f40   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.191   .   .   .   .   .    3   .   N   .    3   .   HN   parsed_2f40   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.092   .   .   .   .   .    5   .   N   .    5   .   HN   parsed_2f40   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.88    .   .   .   .   .   63   .   N   .   63   .   HN   parsed_2f40   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.272   .   .   .   .   .    6   .   N   .    6   .   HN   parsed_2f40   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.583   .   .   .   .   .    4   .   N   .    4   .   HN   parsed_2f40   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.163   .   .   .   .   .   40   .   N   .   40   .   HN   parsed_2f40   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.435   .   .   .   .   .   67   .   N   .   67   .   HN   parsed_2f40   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.882   .   .   .   .   .   46   .   N   .   46   .   HN   parsed_2f40   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.516   .   .   .   .   .   34   .   N   .   34   .   HN   parsed_2f40   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.034   .   .   .   .   .   26   .   N   .   26   .   HN   parsed_2f40   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.922   .   .   .   .   .   25   .   N   .   25   .   HN   parsed_2f40   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.907   .   .   .   .   .    9   .   N   .    9   .   HN   parsed_2f40   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.241   .   .   .   .   .    2   .   N   .    2   .   HN   parsed_2f40   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.357   .   .   .   .   .   70   .   N   .   70   .   HN   parsed_2f40   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.188   .   .   .   .   .   10   .   N   .   10   .   HN   parsed_2f40   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.698   .   .   .   .   .   62   .   N   .   62   .   HN   parsed_2f40   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.926   .   .   .   .   .   68   .   N   .   68   .   HN   parsed_2f40   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.606   .   .   .   .   .   73   .   N   .   73   .   HN   parsed_2f40   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.185   .   .   .   .   .   66   .   N   .   66   .   HN   parsed_2f40   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.912   .   .   .   .   .   43   .   N   .   43   .   HN   parsed_2f40   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.349   .   .   .   .   .   57   .   N   .   57   .   HN   parsed_2f40   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.893   .   .   .   .   .   21   .   N   .   21   .   HN   parsed_2f40   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.935   .   .   .   .   .   44   .   N   .   44   .   HN   parsed_2f40   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -10.867   .   .   .   .   .   52   .   N   .   52   .   HN   parsed_2f40   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.952   .   .   .   .   .   53   .   N   .   53   .   HN   parsed_2f40   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.86    .   .   .   .   .   15   .   N   .   15   .   HN   parsed_2f40   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.418   .   .   .   .   .   48   .   N   .   48   .   HN   parsed_2f40   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.64    .   .   .   .   .   36   .   N   .   36   .   HN   parsed_2f40   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.1     .   .   .   .   .   17   .   N   .   17   .   HN   parsed_2f40   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.655   .   .   .   .   .   74   .   N   .   74   .   HN   parsed_2f40   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.038   .   .   .   .   .   59   .   N   .   59   .   HN   parsed_2f40   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.291   .   .   .   .   .   41   .   N   .   41   .   HN   parsed_2f40   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.186   .   .   .   .   .   14   .   N   .   14   .   HN   parsed_2f40   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.104   .   .   .   .   .   49   .   N   .   49   .   HN   parsed_2f40   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.614   .   .   .   .   .   20   .   N   .   20   .   HN   parsed_2f40   1   
        38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.416   .   .   .   .   .   28   .   N   .   28   .   HN   parsed_2f40   1   
        39   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.164   .   .   .   .   .   19   .   N   .   19   .   HN   parsed_2f40   1   
        40   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.612   .   .   .   .   .   72   .   N   .   72   .   HN   parsed_2f40   1   
        41   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -10.043   .   .   .   .   .   55   .   N   .   55   .   HN   parsed_2f40   1   
        42   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.435   .   .   .   .   .   64   .   N   .   64   .   HN   parsed_2f40   1   
        43   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.909   .   .   .   .   .   71   .   N   .   71   .   HN   parsed_2f40   1   
        44   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -11.157   .   .   .   .   .   56   .   N   .   56   .   HN   parsed_2f40   1   
        45   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.376   .   .   .   .   .   69   .   N   .   69   .   HN   parsed_2f40   1   
        46   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.284   .   .   .   .   .   13   .   N   .   13   .   HN   parsed_2f40   1   
        47   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.798   .   .   .   .   .   27   .   N   .   27   .   HN   parsed_2f40   1   
        48   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.119   .   .   .   .   .   22   .   N   .   22   .   HN   parsed_2f40   1   
        49   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.98    .   .   .   .   .   61   .   N   .   61   .   HN   parsed_2f40   1   
        50   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.285   .   .   .   .   .   30   .   N   .   30   .   HN   parsed_2f40   1   
        51   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.445   .   .   .   .   .    1   .   N   .    1   .   HN   parsed_2f40   1   
        52   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.878   .   .   .   .   .   47   .   N   .   47   .   HN   parsed_2f40   1   
        53   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.831   .   .   .   .   .   39   .   N   .   39   .   HN   parsed_2f40   1   
        54   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.222   .   .   .   .   .   42   .   N   .   42   .   HN   parsed_2f40   1   
        55   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.232   .   .   .   .   .   11   .   N   .   11   .   HN   parsed_2f40   1   
        56   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.852   .   .   .   .   .   38   .   N   .   38   .   HN   parsed_2f40   1   
        57   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.534   .   .   .   .   .   58   .   N   .   58   .   HN   parsed_2f40   1   
        58   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.123   .   .   .   .   .   23   .   N   .   23   .   HN   parsed_2f40   1   
        59   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.025   .   .   .   .   .    7   .   N   .    7   .   HN   parsed_2f40   1   
        60   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.504   .   .   .   .   .    8   .   N   .    8   .   HN   parsed_2f40   1   
        61   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.493   .   .   .   .   .   31   .   N   .   31   .   HN   parsed_2f40   1   
        62   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.722   .   .   .   .   .   60   .   N   .   60   .   HN   parsed_2f40   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. Saturday, April 20, 2024 7:53:16 AM GMT (wattos1)