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
493748 2l0t cing 2-parsed STAR dipolar coupling 50


data_2l0t_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2l0t 
    _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_2l0t   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2l0t 
    _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   2l0t   "Master copy"    parsed_2l0t   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2l0t 
    _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   2l0t.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"     0   parsed_2l0t   1   
        1   2l0t.mr   .   .    HADDOCK       2    distance                  NOE                 ambi                0   parsed_2l0t   1   
        1   2l0t.mr   .   .    XPLOR/CNS     3    distance                 "hydrogen bond"      simple              9   parsed_2l0t   1   
        1   2l0t.mr   .   .    XPLOR/CNS     4   "dipolar coupling"        "Not applicable"    "Not applicable"    50   parsed_2l0t   1   
        1   2l0t.mr   .   .   "MR format"    5   "nomenclature mapping"    "Not applicable"    "Not applicable"     0   parsed_2l0t   1   
    stop_

save_


save_CNS/XPLOR_dipolar_coupling_4
    _RDC_constraint_list.Sf_category         RDC_constraints 
    _RDC_constraint_list.Entry_ID            parsed_2l0t 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   30.657   .   .   .   .   A     2   .   N   A     2   .   HN   parsed_2l0t   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   28.766   .   .   .   .   A     4   .   N   A     4   .   HN   parsed_2l0t   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   22.044   .   .   .   .   A     6   .   N   A     6   .   HN   parsed_2l0t   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   21.449   .   .   .   .   A    13   .   N   A    13   .   HN   parsed_2l0t   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   26.967   .   .   .   .   A    14   .   N   A    14   .   HN   parsed_2l0t   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   21.926   .   .   .   .   A    22   .   N   A    22   .   HN   parsed_2l0t   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   24.978   .   .   .   .   A    28   .   N   A    28   .   HN   parsed_2l0t   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   31.585   .   .   .   .   A    29   .   N   A    29   .   HN   parsed_2l0t   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   28.904   .   .   .   .   A    30   .   N   A    30   .   HN   parsed_2l0t   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   22.375   .   .   .   .   A    31   .   N   A    31   .   HN   parsed_2l0t   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   25.322   .   .   .   .   A    32   .   N   A    32   .   HN   parsed_2l0t   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   24.538   .   .   .   .   A    33   .   N   A    33   .   HN   parsed_2l0t   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   23.332   .   .   .   .   A    34   .   N   A    34   .   HN   parsed_2l0t   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   21.684   .   .   .   .   A    35   .   N   A    35   .   HN   parsed_2l0t   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   29.112   .   .   .   .   A    39   .   N   A    39   .   HN   parsed_2l0t   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   27.167   .   .   .   .   A    41   .   N   A    41   .   HN   parsed_2l0t   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   25.449   .   .   .   .   A    56   .   N   A    56   .   HN   parsed_2l0t   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   29.700   .   .   .   .   A    57   .   N   A    57   .   HN   parsed_2l0t   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   26.852   .   .   .   .   A    58   .   N   A    58   .   HN   parsed_2l0t   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   24.315   .   .   .   .   A    59   .   N   A    59   .   HN   parsed_2l0t   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   25.120   .   .   .   .   A    60   .   N   A    60   .   HN   parsed_2l0t   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   28.363   .   .   .   .   A    66   .   N   A    66   .   HN   parsed_2l0t   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   23.768   .   .   .   .   A    67   .   N   A    67   .   HN   parsed_2l0t   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   33.841   .   .   .   .   B    17   .   N   B    17   .   HN   parsed_2l0t   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   29.917   .   .   .   .   B    19   .   N   B    19   .   HN   parsed_2l0t   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   28.964   .   .   .   .   B    50   .   N   B    50   .   HN   parsed_2l0t   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   30.140   .   .   .   .   B    51   .   N   B    51   .   HN   parsed_2l0t   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   32.777   .   .   .   .   B    57   .   N   B    57   .   HN   parsed_2l0t   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   31.995   .   .   .   .   B    60   .   N   B    60   .   HN   parsed_2l0t   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   30.406   .   .   .   .   B    69   .   N   B    69   .   HN   parsed_2l0t   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   23.396   .   .   .   .   B    74   .   N   B    74   .   HN   parsed_2l0t   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   27.155   .   .   .   .   B    77   .   N   B    77   .   HN   parsed_2l0t   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   29.304   .   .   .   .   B    79   .   N   B    79   .   HN   parsed_2l0t   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   29.939   .   .   .   .   B    83   .   N   B    83   .   HN   parsed_2l0t   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   30.051   .   .   .   .   B    87   .   N   B    87   .   HN   parsed_2l0t   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   25.027   .   .   .   .   B    88   .   N   B    88   .   HN   parsed_2l0t   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   29.727   .   .   .   .   B    91   .   N   B    91   .   HN   parsed_2l0t   1   
        38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   27.011   .   .   .   .   B    92   .   N   B    92   .   HN   parsed_2l0t   1   
        39   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   23.778   .   .   .   .   B    97   .   N   B    97   .   HN   parsed_2l0t   1   
        40   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   21.061   .   .   .   .   B    98   .   N   B    98   .   HN   parsed_2l0t   1   
        41   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   27.475   .   .   .   .   B   102   .   N   B   102   .   HN   parsed_2l0t   1   
        42   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   29.074   .   .   .   .   B   115   .   N   B   115   .   HN   parsed_2l0t   1   
        43   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   25.508   .   .   .   .   B   124   .   N   B   124   .   HN   parsed_2l0t   1   
        44   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   28.876   .   .   .   .   B   125   .   N   B   125   .   HN   parsed_2l0t   1   
        45   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   23.091   .   .   .   .   B   133   .   N   B   133   .   HN   parsed_2l0t   1   
        46   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   25.715   .   .   .   .   B   137   .   N   B   137   .   HN   parsed_2l0t   1   
        47   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   20.674   .   .   .   .   B   138   .   N   B   138   .   HN   parsed_2l0t   1   
        48   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   25.945   .   .   .   .   B   139   .   N   B   139   .   HN   parsed_2l0t   1   
        49   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   25.548   .   .   .   .   B   141   .   N   B   141   .   HN   parsed_2l0t   1   
        50   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   26.477   .   .   .   .   B   144   .   N   B   144   .   HN   parsed_2l0t   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. Thursday, May 9, 2024 7:12:15 PM GMT (wattos1)