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 subtype subsubtype item_count
602075 5iay 30019 cing 2-parsed STAR distance NOE simple 84


data_5iay_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_5iay 
    _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_5iay   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_5iay 
    _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   5iay   "Master copy"    parsed_5iay   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_5iay 
    _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   5iay.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"     0   parsed_5iay   1   
        1   5iay.mr   .   .    XPLOR/CNS     2    distance                 "hydrogen bond"      simple             18   parsed_5iay   1   
        1   5iay.mr   .   .    XPLOR/CNS     3    distance                  NOE                 simple             84   parsed_5iay   1   
        1   5iay.mr   .   .    XPLOR/CNS     4    distance                 "hydrogen bond"      simple              0   parsed_5iay   1   
        1   5iay.mr   .   .    XPLOR/CNS     5    distance                  NOE                 ambi                0   parsed_5iay   1   
        1   5iay.mr   .   .    XPLOR/CNS     6   "dihedral angle"          "Not applicable"    "Not applicable"     0   parsed_5iay   1   
        1   5iay.mr   .   .   "MR format"    7   "nomenclature mapping"    "Not applicable"    "Not applicable"     0   parsed_5iay   1   
    stop_

save_


save_CNS/XPLOR_distance_constraints_3
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_5iay 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type     NOE 
    _Distance_constraint_list.Constraint_file_ID  1 
    _Distance_constraint_list.Block_ID            3 
    _Distance_constraint_list.Details            "Generated by Wattos" 

    loop_
        _Dist_constraint_tree.Constraint_ID 
        _Dist_constraint_tree.Node_ID 
        _Dist_constraint_tree.Down_node_ID 
        _Dist_constraint_tree.Right_node_ID 
        _Dist_constraint_tree.Logic_operation 
        _Dist_constraint_tree.Entry_ID 
        _Dist_constraint_tree.Distance_constraint_list_ID 

         1   1   .   .   .   parsed_5iay   1   
         2   1   .   .   .   parsed_5iay   1   
         3   1   .   .   .   parsed_5iay   1   
         4   1   .   .   .   parsed_5iay   1   
         5   1   .   .   .   parsed_5iay   1   
         6   1   .   .   .   parsed_5iay   1   
         7   1   .   .   .   parsed_5iay   1   
         8   1   .   .   .   parsed_5iay   1   
         9   1   .   .   .   parsed_5iay   1   
        10   1   .   .   .   parsed_5iay   1   
        11   1   .   .   .   parsed_5iay   1   
        12   1   .   .   .   parsed_5iay   1   
        13   1   .   .   .   parsed_5iay   1   
        14   1   .   .   .   parsed_5iay   1   
        15   1   .   .   .   parsed_5iay   1   
        16   1   .   .   .   parsed_5iay   1   
        17   1   .   .   .   parsed_5iay   1   
        18   1   .   .   .   parsed_5iay   1   
        19   1   .   .   .   parsed_5iay   1   
        20   1   .   .   .   parsed_5iay   1   
        21   1   .   .   .   parsed_5iay   1   
        22   1   .   .   .   parsed_5iay   1   
        23   1   .   .   .   parsed_5iay   1   
        24   1   .   .   .   parsed_5iay   1   
        25   1   .   .   .   parsed_5iay   1   
        26   1   .   .   .   parsed_5iay   1   
        27   1   .   .   .   parsed_5iay   1   
        28   1   .   .   .   parsed_5iay   1   
        29   1   .   .   .   parsed_5iay   1   
        30   1   .   .   .   parsed_5iay   1   
        31   1   .   .   .   parsed_5iay   1   
        32   1   .   .   .   parsed_5iay   1   
        33   1   .   .   .   parsed_5iay   1   
        34   1   .   .   .   parsed_5iay   1   
        35   1   .   .   .   parsed_5iay   1   
        36   1   .   .   .   parsed_5iay   1   
        37   1   .   .   .   parsed_5iay   1   
        38   1   .   .   .   parsed_5iay   1   
        39   1   .   .   .   parsed_5iay   1   
        40   1   .   .   .   parsed_5iay   1   
        41   1   .   .   .   parsed_5iay   1   
        42   1   .   .   .   parsed_5iay   1   
        43   1   .   .   .   parsed_5iay   1   
        44   1   .   .   .   parsed_5iay   1   
        45   1   .   .   .   parsed_5iay   1   
        46   1   .   .   .   parsed_5iay   1   
        47   1   .   .   .   parsed_5iay   1   
        48   1   .   .   .   parsed_5iay   1   
        49   1   .   .   .   parsed_5iay   1   
        50   1   .   .   .   parsed_5iay   1   
        51   1   .   .   .   parsed_5iay   1   
        52   1   .   .   .   parsed_5iay   1   
        53   1   .   .   .   parsed_5iay   1   
        54   1   .   .   .   parsed_5iay   1   
        55   1   .   .   .   parsed_5iay   1   
        56   1   .   .   .   parsed_5iay   1   
        57   1   .   .   .   parsed_5iay   1   
        58   1   .   .   .   parsed_5iay   1   
        59   1   .   .   .   parsed_5iay   1   
        60   1   .   .   .   parsed_5iay   1   
        61   1   .   .   .   parsed_5iay   1   
        62   1   .   .   .   parsed_5iay   1   
        63   1   .   .   .   parsed_5iay   1   
        64   1   .   .   .   parsed_5iay   1   
        65   1   .   .   .   parsed_5iay   1   
        66   1   .   .   .   parsed_5iay   1   
        67   1   .   .   .   parsed_5iay   1   
        68   1   .   .   .   parsed_5iay   1   
        69   1   .   .   .   parsed_5iay   1   
        70   1   .   .   .   parsed_5iay   1   
        71   1   .   .   .   parsed_5iay   1   
        72   1   .   .   .   parsed_5iay   1   
        73   1   .   .   .   parsed_5iay   1   
        74   1   .   .   .   parsed_5iay   1   
        75   1   .   .   .   parsed_5iay   1   
        76   1   .   .   .   parsed_5iay   1   
        77   1   .   .   .   parsed_5iay   1   
        78   1   .   .   .   parsed_5iay   1   
        79   1   .   .   .   parsed_5iay   1   
        80   1   .   .   .   parsed_5iay   1   
        81   1   .   .   .   parsed_5iay   1   
        82   1   .   .   .   parsed_5iay   1   
        83   1   .   .   .   parsed_5iay   1   
        84   1   .   .   .   parsed_5iay   1   
    stop_


    loop_
        _Dist_constraint.Tree_node_member_constraint_ID 
        _Dist_constraint.Tree_node_member_node_ID 
        _Dist_constraint.Constraint_tree_node_member_ID 
        _Dist_constraint.Assembly_atom_ID 
        _Dist_constraint.Entity_assembly_ID 
        _Dist_constraint.Entity_ID 
        _Dist_constraint.Comp_index_ID 
        _Dist_constraint.Seq_ID 
        _Dist_constraint.Comp_ID 
        _Dist_constraint.Atom_ID 
        _Dist_constraint.Resonance_ID 
        _Dist_constraint.Auth_asym_ID 
        _Dist_constraint.Auth_seq_ID 
        _Dist_constraint.Auth_comp_ID 
        _Dist_constraint.Auth_atom_ID 
        _Dist_constraint.Entry_ID 
        _Dist_constraint.Distance_constraint_list_ID 

         1   1   1   .   .   .   .   .   .   .   .   PBR   646   .   he#   parsed_5iay   1   
         1   1   2   .   .   .   .   .   .   .   .   TTD   189   .   hb#   parsed_5iay   1   
         2   1   1   .   .   .   .   .   .   .   .   PBR   647   .   hb#   parsed_5iay   1   
         2   1   2   .   .   .   .   .   .   .   .   TTD   154   .   hb#   parsed_5iay   1   
         3   1   1   .   .   .   .   .   .   .   .   PBR   647   .   hh2   parsed_5iay   1   
         3   1   2   .   .   .   .   .   .   .   .   TTD   140   .   hb#   parsed_5iay   1   
         4   1   1   .   .   .   .   .   .   .   .   PBR   647   .   he1   parsed_5iay   1   
         4   1   2   .   .   .   .   .   .   .   .   TTD   153   .   ha    parsed_5iay   1   
         5   1   1   .   .   .   .   .   .   .   .   PBR   647   .   he1   parsed_5iay   1   
         5   1   2   .   .   .   .   .   .   .   .   TTD   153   .   hb#   parsed_5iay   1   
         6   1   1   .   .   .   .   .   .   .   .   PBR   647   .   hz2   parsed_5iay   1   
         6   1   2   .   .   .   .   .   .   .   .   TTD   153   .   ha    parsed_5iay   1   
         7   1   1   .   .   .   .   .   .   .   .   PBR   647   .   hz3   parsed_5iay   1   
         7   1   2   .   .   .   .   .   .   .   .   TTD   154   .   hb#   parsed_5iay   1   
         8   1   1   .   .   .   .   .   .   .   .   PBR   648   .   hd#   parsed_5iay   1   
         8   1   2   .   .   .   .   .   .   .   .   TTD   190   .   hb#   parsed_5iay   1   
         9   1   1   .   .   .   .   .   .   .   .   PBR   648   .   he#   parsed_5iay   1   
         9   1   2   .   .   .   .   .   .   .   .   TTD   153   .   hg#   parsed_5iay   1   
        10   1   1   .   .   .   .   .   .   .   .   PBR   648   .   he#   parsed_5iay   1   
        10   1   2   .   .   .   .   .   .   .   .   TTD   189   .   hb#   parsed_5iay   1   
        11   1   1   .   .   .   .   .   .   .   .   PBR   649   .   hd#   parsed_5iay   1   
        11   1   2   .   .   .   .   .   .   .   .   TTD   153   .   ha    parsed_5iay   1   
        12   1   1   .   .   .   .   .   .   .   .   PBR   649   .   hd#   parsed_5iay   1   
        12   1   2   .   .   .   .   .   .   .   .   TTD   153   .   hb#   parsed_5iay   1   
        13   1   1   .   .   .   .   .   .   .   .   PBR   649   .   hd#   parsed_5iay   1   
        13   1   2   .   .   .   .   .   .   .   .   TTD   153   .   hg#   parsed_5iay   1   
        14   1   1   .   .   .   .   .   .   .   .   PBR   650   .   hb#   parsed_5iay   1   
        14   1   2   .   .   .   .   .   .   .   .   TTD   235   .   hg#   parsed_5iay   1   
        15   1   1   .   .   .   .   .   .   .   .   PBR   651   .   hn    parsed_5iay   1   
        15   1   2   .   .   .   .   .   .   .   .   TTD   235   .   hd#   parsed_5iay   1   
        16   1   1   .   .   .   .   .   .   .   .   PBR   651   .   ha    parsed_5iay   1   
        16   1   2   .   .   .   .   .   .   .   .   TTD   235   .   hd#   parsed_5iay   1   
        17   1   1   .   .   .   .   .   .   .   .   PBR   651   .   hb#   parsed_5iay   1   
        17   1   2   .   .   .   .   .   .   .   .   TTD   235   .   hd#   parsed_5iay   1   
        18   1   1   .   .   .   .   .   .   .   .   PBR   651   .   hb#   parsed_5iay   1   
        18   1   2   .   .   .   .   .   .   .   .   TTD   237   .   hd#   parsed_5iay   1   
        19   1   1   .   .   .   .   .   .   .   .   PBR   652   .   ha    parsed_5iay   1   
        19   1   2   .   .   .   .   .   .   .   .   TTD   237   .   hd#   parsed_5iay   1   
        20   1   1   .   .   .   .   .   .   .   .   PBR   652   .   hb#   parsed_5iay   1   
        20   1   2   .   .   .   .   .   .   .   .   TTD   237   .   hd#   parsed_5iay   1   
        21   1   1   .   .   .   .   .   .   .   .   PBR   652   .   hb#   parsed_5iay   1   
        21   1   2   .   .   .   .   .   .   .   .   TTD   237   .   he#   parsed_5iay   1   
        22   1   1   .   .   .   .   .   .   .   .   PBR   653   .   ha#   parsed_5iay   1   
        22   1   2   .   .   .   .   .   .   .   .   TTD   230   .   hb#   parsed_5iay   1   
        23   1   1   .   .   .   .   .   .   .   .   PBR   653   .   ha#   parsed_5iay   1   
        23   1   2   .   .   .   .   .   .   .   .   TTD   231   .   hb#   parsed_5iay   1   
        24   1   1   .   .   .   .   .   .   .   .   PBR   653   .   ha#   parsed_5iay   1   
        24   1   2   .   .   .   .   .   .   .   .   TTD   234   .   hb#   parsed_5iay   1   
        25   1   1   .   .   .   .   .   .   .   .   PBR   653   .   ha#   parsed_5iay   1   
        25   1   2   .   .   .   .   .   .   .   .   TTD   236   .   ha#   parsed_5iay   1   
        26   1   1   .   .   .   .   .   .   .   .   PBR   644   .   HN    parsed_5iay   1   
        26   1   2   .   .   .   .   .   .   .   .   PBR   644   .   HA    parsed_5iay   1   
        27   1   1   .   .   .   .   .   .   .   .   PBR   644   .   HN    parsed_5iay   1   
        27   1   2   .   .   .   .   .   .   .   .   PBR   644   .   HB#   parsed_5iay   1   
        28   1   1   .   .   .   .   .   .   .   .   PBR   644   .   HN    parsed_5iay   1   
        28   1   2   .   .   .   .   .   .   .   .   PBR   644   .   HG#   parsed_5iay   1   
        29   1   1   .   .   .   .   .   .   .   .   PBR   644   .   HB#   parsed_5iay   1   
        29   1   2   .   .   .   .   .   .   .   .   PBR   645   .   HN    parsed_5iay   1   
        30   1   1   .   .   .   .   .   .   .   .   PBR   644   .   HG#   parsed_5iay   1   
        30   1   2   .   .   .   .   .   .   .   .   PBR   645   .   HN    parsed_5iay   1   
        31   1   1   .   .   .   .   .   .   .   .   PBR   645   .   HN    parsed_5iay   1   
        31   1   2   .   .   .   .   .   .   .   .   PBR   645   .   HA#   parsed_5iay   1   
        32   1   1   .   .   .   .   .   .   .   .   PBR   646   .   HN    parsed_5iay   1   
        32   1   2   .   .   .   .   .   .   .   .   PBR   646   .   HA    parsed_5iay   1   
        33   1   1   .   .   .   .   .   .   .   .   PBR   646   .   HN    parsed_5iay   1   
        33   1   2   .   .   .   .   .   .   .   .   PBR   646   .   HB#   parsed_5iay   1   
        34   1   1   .   .   .   .   .   .   .   .   PBR   646   .   HN    parsed_5iay   1   
        34   1   2   .   .   .   .   .   .   .   .   PBR   646   .   HG#   parsed_5iay   1   
        35   1   1   .   .   .   .   .   .   .   .   PBR   646   .   HA    parsed_5iay   1   
        35   1   2   .   .   .   .   .   .   .   .   PBR   646   .   HB#   parsed_5iay   1   
        36   1   1   .   .   .   .   .   .   .   .   PBR   646   .   HA    parsed_5iay   1   
        36   1   2   .   .   .   .   .   .   .   .   PBR   646   .   HG#   parsed_5iay   1   
        37   1   1   .   .   .   .   .   .   .   .   PBR   646   .   HN    parsed_5iay   1   
        37   1   2   .   .   .   .   .   .   .   .   PBR   646   .   HE1   parsed_5iay   1   
        38   1   1   .   .   .   .   .   .   .   .   PBR   646   .   HN    parsed_5iay   1   
        38   1   2   .   .   .   .   .   .   .   .   PBR   646   .   HE2   parsed_5iay   1   
        39   1   1   .   .   .   .   .   .   .   .   PBR   646   .   HN    parsed_5iay   1   
        39   1   2   .   .   .   .   .   .   .   .   PBR   645   .   HA#   parsed_5iay   1   
        40   1   1   .   .   .   .   .   .   .   .   PBR   647   .   HN    parsed_5iay   1   
        40   1   2   .   .   .   .   .   .   .   .   PBR   647   .   HA    parsed_5iay   1   
        41   1   1   .   .   .   .   .   .   .   .   PBR   647   .   HN    parsed_5iay   1   
        41   1   2   .   .   .   .   .   .   .   .   PBR   647   .   HB1   parsed_5iay   1   
        42   1   1   .   .   .   .   .   .   .   .   PBR   647   .   HN    parsed_5iay   1   
        42   1   2   .   .   .   .   .   .   .   .   PBR   647   .   HB2   parsed_5iay   1   
        43   1   1   .   .   .   .   .   .   .   .   PBR   647   .   HD1   parsed_5iay   1   
        43   1   2   .   .   .   .   .   .   .   .   PBR   647   .   HA    parsed_5iay   1   
        44   1   1   .   .   .   .   .   .   .   .   PBR   647   .   HD1   parsed_5iay   1   
        44   1   2   .   .   .   .   .   .   .   .   PBR   647   .   HB1   parsed_5iay   1   
        45   1   1   .   .   .   .   .   .   .   .   PBR   647   .   HD1   parsed_5iay   1   
        45   1   2   .   .   .   .   .   .   .   .   PBR   647   .   HB2   parsed_5iay   1   
        46   1   1   .   .   .   .   .   .   .   .   PBR   647   .   HD1   parsed_5iay   1   
        46   1   2   .   .   .   .   .   .   .   .   PBR   647   .   HE1   parsed_5iay   1   
        47   1   1   .   .   .   .   .   .   .   .   PBR   647   .   HH2   parsed_5iay   1   
        47   1   2   .   .   .   .   .   .   .   .   PBR   647   .   HE1   parsed_5iay   1   
        48   1   1   .   .   .   .   .   .   .   .   PBR   647   .   HN    parsed_5iay   1   
        48   1   2   .   .   .   .   .   .   .   .   PBR   646   .   HA    parsed_5iay   1   
        49   1   1   .   .   .   .   .   .   .   .   PBR   647   .   HN    parsed_5iay   1   
        49   1   2   .   .   .   .   .   .   .   .   PBR   646   .   HB#   parsed_5iay   1   
        50   1   1   .   .   .   .   .   .   .   .   PBR   647   .   HN    parsed_5iay   1   
        50   1   2   .   .   .   .   .   .   .   .   PBR   646   .   HG#   parsed_5iay   1   
        51   1   1   .   .   .   .   .   .   .   .   PBR   647   .   HN    parsed_5iay   1   
        51   1   2   .   .   .   .   .   .   .   .   PBR   646   .   HD#   parsed_5iay   1   
        52   1   1   .   .   .   .   .   .   .   .   PBR   647   .   HE1   parsed_5iay   1   
        52   1   2   .   .   .   .   .   .   .   .   PBR   649   .   HD#   parsed_5iay   1   
        53   1   1   .   .   .   .   .   .   .   .   PBR   647   .   HE1   parsed_5iay   1   
        53   1   2   .   .   .   .   .   .   .   .   PBR   649   .   HG#   parsed_5iay   1   
        54   1   1   .   .   .   .   .   .   .   .   PBR   647   .   HD1   parsed_5iay   1   
        54   1   2   .   .   .   .   .   .   .   .   PBR   649   .   HD#   parsed_5iay   1   
        55   1   1   .   .   .   .   .   .   .   .   PBR   648   .   HN    parsed_5iay   1   
        55   1   2   .   .   .   .   .   .   .   .   PBR   648   .   HA    parsed_5iay   1   
        56   1   1   .   .   .   .   .   .   .   .   PBR   648   .   HN    parsed_5iay   1   
        56   1   2   .   .   .   .   .   .   .   .   PBR   648   .   HB#   parsed_5iay   1   
        57   1   1   .   .   .   .   .   .   .   .   PBR   648   .   HN    parsed_5iay   1   
        57   1   2   .   .   .   .   .   .   .   .   PBR   648   .   HD#   parsed_5iay   1   
        58   1   1   .   .   .   .   .   .   .   .   PBR   648   .   HN    parsed_5iay   1   
        58   1   2   .   .   .   .   .   .   .   .   PBR   647   .   HA    parsed_5iay   1   
        59   1   1   .   .   .   .   .   .   .   .   PBR   648   .   HN    parsed_5iay   1   
        59   1   2   .   .   .   .   .   .   .   .   PBR   647   .   HB#   parsed_5iay   1   
        60   1   1   .   .   .   .   .   .   .   .   PBR   648   .   HA    parsed_5iay   1   
        60   1   2   .   .   .   .   .   .   .   .   PBR   649   .   HN    parsed_5iay   1   
        61   1   1   .   .   .   .   .   .   .   .   PBR   649   .   HN    parsed_5iay   1   
        61   1   2   .   .   .   .   .   .   .   .   PBR   649   .   HA    parsed_5iay   1   
        62   1   1   .   .   .   .   .   .   .   .   PBR   649   .   HN    parsed_5iay   1   
        62   1   2   .   .   .   .   .   .   .   .   PBR   649   .   HB#   parsed_5iay   1   
        63   1   1   .   .   .   .   .   .   .   .   PBR   649   .   HN    parsed_5iay   1   
        63   1   2   .   .   .   .   .   .   .   .   PBR   649   .   HG1   parsed_5iay   1   
        64   1   1   .   .   .   .   .   .   .   .   PBR   649   .   HN    parsed_5iay   1   
        64   1   2   .   .   .   .   .   .   .   .   PBR   649   .   HG2   parsed_5iay   1   
        65   1   1   .   .   .   .   .   .   .   .   PBR   649   .   HA    parsed_5iay   1   
        65   1   2   .   .   .   .   .   .   .   .   PBR   650   .   HN    parsed_5iay   1   
        66   1   1   .   .   .   .   .   .   .   .   PBR   650   .   HN    parsed_5iay   1   
        66   1   2   .   .   .   .   .   .   .   .   PBR   650   .   HA    parsed_5iay   1   
        67   1   1   .   .   .   .   .   .   .   .   PBR   650   .   HN    parsed_5iay   1   
        67   1   2   .   .   .   .   .   .   .   .   PBR   650   .   HB#   parsed_5iay   1   
        68   1   1   .   .   .   .   .   .   .   .   PBR   650   .   HN    parsed_5iay   1   
        68   1   2   .   .   .   .   .   .   .   .   PBR   650   .   HD#   parsed_5iay   1   
        69   1   1   .   .   .   .   .   .   .   .   PBR   650   .   HA    parsed_5iay   1   
        69   1   2   .   .   .   .   .   .   .   .   PBR   651   .   HN    parsed_5iay   1   
        70   1   1   .   .   .   .   .   .   .   .   PBR   650   .   HB#   parsed_5iay   1   
        70   1   2   .   .   .   .   .   .   .   .   PBR   651   .   HN    parsed_5iay   1   
        71   1   1   .   .   .   .   .   .   .   .   PBR   650   .   HD#   parsed_5iay   1   
        71   1   2   .   .   .   .   .   .   .   .   PBR   651   .   HN    parsed_5iay   1   
        72   1   1   .   .   .   .   .   .   .   .   PBR   651   .   HN    parsed_5iay   1   
        72   1   2   .   .   .   .   .   .   .   .   PBR   650   .   HN    parsed_5iay   1   
        73   1   1   .   .   .   .   .   .   .   .   PBR   651   .   HN    parsed_5iay   1   
        73   1   2   .   .   .   .   .   .   .   .   PBR   651   .   HA    parsed_5iay   1   
        74   1   1   .   .   .   .   .   .   .   .   PBR   651   .   HN    parsed_5iay   1   
        74   1   2   .   .   .   .   .   .   .   .   PBR   651   .   HB#   parsed_5iay   1   
        75   1   1   .   .   .   .   .   .   .   .   PBR   651   .   HN    parsed_5iay   1   
        75   1   2   .   .   .   .   .   .   .   .   PBR   652   .   HA    parsed_5iay   1   
        76   1   1   .   .   .   .   .   .   .   .   PBR   651   .   HA    parsed_5iay   1   
        76   1   2   .   .   .   .   .   .   .   .   PBR   652   .   HN    parsed_5iay   1   
        77   1   1   .   .   .   .   .   .   .   .   PBR   653   .   HN    parsed_5iay   1   
        77   1   2   .   .   .   .   .   .   .   .   PBR   652   .   HA    parsed_5iay   1   
        78   1   1   .   .   .   .   .   .   .   .   PBR   653   .   HN    parsed_5iay   1   
        78   1   2   .   .   .   .   .   .   .   .   PBR   652   .   HB#   parsed_5iay   1   
        79   1   1   .   .   .   .   .   .   .   .   PBR   653   .   HN    parsed_5iay   1   
        79   1   2   .   .   .   .   .   .   .   .   PBR   653   .   HA#   parsed_5iay   1   
        80   1   1   .   .   .   .   .   .   .   .   PBR   653   .   HA#   parsed_5iay   1   
        80   1   2   .   .   .   .   .   .   .   .   PBR   654   .   HN    parsed_5iay   1   
        81   1   1   .   .   .   .   .   .   .   .   PBR   654   .   HN    parsed_5iay   1   
        81   1   2   .   .   .   .   .   .   .   .   PBR   654   .   HA#   parsed_5iay   1   
        82   1   1   .   .   .   .   .   .   .   .   PBR   654   .   HN    parsed_5iay   1   
        82   1   2   .   .   .   .   .   .   .   .   PBR   655   .   HN    parsed_5iay   1   
        83   1   1   .   .   .   .   .   .   .   .   PBR   654   .   HA#   parsed_5iay   1   
        83   1   2   .   .   .   .   .   .   .   .   PBR   655   .   HN    parsed_5iay   1   
        84   1   1   .   .   .   .   .   .   .   .   PBR   655   .   HN    parsed_5iay   1   
        84   1   2   .   .   .   .   .   .   .   .   PBR   655   .   HA#   parsed_5iay   1   
    stop_


    loop_
        _Dist_constraint_value.Constraint_ID 
        _Dist_constraint_value.Tree_node_ID 
        _Dist_constraint_value.Source_experiment_ID 
        _Dist_constraint_value.Spectral_peak_ID 
        _Dist_constraint_value.Intensity_val 
        _Dist_constraint_value.Intensity_lower_val_err 
        _Dist_constraint_value.Intensity_upper_val_err 
        _Dist_constraint_value.Distance_val 
        _Dist_constraint_value.Distance_lower_bound_val 
        _Dist_constraint_value.Distance_upper_bound_val 
        _Dist_constraint_value.Entry_ID 
        _Dist_constraint_value.Distance_constraint_list_ID 

         1   1   .   .   .   .   .   1.8   1.8   7.0   parsed_5iay   1   
         2   1   .   .   .   .   .   1.8   1.8   6.0   parsed_5iay   1   
         3   1   .   .   .   .   .   1.8   1.8   6.0   parsed_5iay   1   
         4   1   .   .   .   .   .   1.8   1.8   6.0   parsed_5iay   1   
         5   1   .   .   .   .   .   1.8   1.8   6.0   parsed_5iay   1   
         6   1   .   .   .   .   .   1.8   1.8   6.0   parsed_5iay   1   
         7   1   .   .   .   .   .   1.8   1.8   6.0   parsed_5iay   1   
         8   1   .   .   .   .   .   1.8   1.8   6.0   parsed_5iay   1   
         9   1   .   .   .   .   .   1.8   1.8   6.0   parsed_5iay   1   
        10   1   .   .   .   .   .   1.8   1.8   6.0   parsed_5iay   1   
        11   1   .   .   .   .   .   1.8   1.8   6.0   parsed_5iay   1   
        12   1   .   .   .   .   .   1.8   1.8   6.0   parsed_5iay   1   
        13   1   .   .   .   .   .   1.8   1.8   6.0   parsed_5iay   1   
        14   1   .   .   .   .   .   1.8   1.8   6.0   parsed_5iay   1   
        15   1   .   .   .   .   .   1.8   1.8   6.0   parsed_5iay   1   
        16   1   .   .   .   .   .   1.8   1.8   6.0   parsed_5iay   1   
        17   1   .   .   .   .   .   1.8   1.8   6.0   parsed_5iay   1   
        18   1   .   .   .   .   .   1.8   1.8   6.0   parsed_5iay   1   
        19   1   .   .   .   .   .   1.8   1.8   6.0   parsed_5iay   1   
        20   1   .   .   .   .   .   1.8   1.8   6.0   parsed_5iay   1   
        21   1   .   .   .   .   .   1.8   1.8   6.0   parsed_5iay   1   
        22   1   .   .   .   .   .   1.8   1.8   8.0   parsed_5iay   1   
        23   1   .   .   .   .   .   1.8   1.8   7.0   parsed_5iay   1   
        24   1   .   .   .   .   .   1.8   1.8   6.0   parsed_5iay   1   
        25   1   .   .   .   .   .   1.8   1.8   5.0   parsed_5iay   1   
        26   1   .   .   .   .   .   1.8   1.8   5.0   parsed_5iay   1   
        27   1   .   .   .   .   .   1.8   1.8   6.0   parsed_5iay   1   
        28   1   .   .   .   .   .   1.8   1.8   6.0   parsed_5iay   1   
        29   1   .   .   .   .   .   1.8   1.8   5.0   parsed_5iay   1   
        30   1   .   .   .   .   .   1.8   1.8   6.0   parsed_5iay   1   
        31   1   .   .   .   .   .   1.8   1.8   5.0   parsed_5iay   1   
        32   1   .   .   .   .   .   1.8   1.8   5.0   parsed_5iay   1   
        33   1   .   .   .   .   .   1.8   1.8   5.0   parsed_5iay   1   
        34   1   .   .   .   .   .   1.8   1.8   6.0   parsed_5iay   1   
        35   1   .   .   .   .   .   1.8   1.8   5.0   parsed_5iay   1   
        36   1   .   .   .   .   .   1.8   1.8   5.0   parsed_5iay   1   
        37   1   .   .   .   .   .   1.8   1.8   6.0   parsed_5iay   1   
        38   1   .   .   .   .   .   1.8   1.8   6.0   parsed_5iay   1   
        39   1   .   .   .   .   .   1.8   1.8   6.0   parsed_5iay   1   
        40   1   .   .   .   .   .   1.8   1.8   5.0   parsed_5iay   1   
        41   1   .   .   .   .   .   1.8   1.8   5.0   parsed_5iay   1   
        42   1   .   .   .   .   .   1.8   1.8   5.0   parsed_5iay   1   
        43   1   .   .   .   .   .   1.8   1.8   5.0   parsed_5iay   1   
        44   1   .   .   .   .   .   1.8   1.8   5.0   parsed_5iay   1   
        45   1   .   .   .   .   .   1.8   1.8   5.0   parsed_5iay   1   
        46   1   .   .   .   .   .   1.8   1.8   6.0   parsed_5iay   1   
        47   1   .   .   .   .   .   1.8   1.8   6.0   parsed_5iay   1   
        48   1   .   .   .   .   .   1.8   1.8   5.0   parsed_5iay   1   
        49   1   .   .   .   .   .   1.8   1.8   5.0   parsed_5iay   1   
        50   1   .   .   .   .   .   1.8   1.8   5.0   parsed_5iay   1   
        51   1   .   .   .   .   .   1.8   1.8   5.0   parsed_5iay   1   
        52   1   .   .   .   .   .   1.8   1.8   2.9   parsed_5iay   1   
        53   1   .   .   .   .   .   1.8   1.8   5.0   parsed_5iay   1   
        54   1   .   .   .   .   .   1.8   1.8   5.0   parsed_5iay   1   
        55   1   .   .   .   .   .   1.8   1.8   5.0   parsed_5iay   1   
        56   1   .   .   .   .   .   1.8   1.8   5.0   parsed_5iay   1   
        57   1   .   .   .   .   .   1.8   1.8   6.0   parsed_5iay   1   
        58   1   .   .   .   .   .   1.8   1.8   5.0   parsed_5iay   1   
        59   1   .   .   .   .   .   1.8   1.8   5.0   parsed_5iay   1   
        60   1   .   .   .   .   .   1.8   1.8   5.0   parsed_5iay   1   
        61   1   .   .   .   .   .   1.8   1.8   5.0   parsed_5iay   1   
        62   1   .   .   .   .   .   1.8   1.8   5.0   parsed_5iay   1   
        63   1   .   .   .   .   .   1.8   1.8   6.0   parsed_5iay   1   
        64   1   .   .   .   .   .   1.8   1.8   6.0   parsed_5iay   1   
        65   1   .   .   .   .   .   1.8   1.8   5.0   parsed_5iay   1   
        66   1   .   .   .   .   .   1.8   1.8   5.0   parsed_5iay   1   
        67   1   .   .   .   .   .   1.8   1.8   5.0   parsed_5iay   1   
        68   1   .   .   .   .   .   1.8   1.8   5.0   parsed_5iay   1   
        69   1   .   .   .   .   .   1.8   1.8   5.0   parsed_5iay   1   
        70   1   .   .   .   .   .   1.8   1.8   5.0   parsed_5iay   1   
        71   1   .   .   .   .   .   1.8   1.8   5.0   parsed_5iay   1   
        72   1   .   .   .   .   .   1.8   1.8   5.0   parsed_5iay   1   
        73   1   .   .   .   .   .   1.8   1.8   5.0   parsed_5iay   1   
        74   1   .   .   .   .   .   1.8   1.8   5.0   parsed_5iay   1   
        75   1   .   .   .   .   .   1.8   1.8   6.0   parsed_5iay   1   
        76   1   .   .   .   .   .   1.8   1.8   5.0   parsed_5iay   1   
        77   1   .   .   .   .   .   1.8   1.8   5.0   parsed_5iay   1   
        78   1   .   .   .   .   .   1.8   1.8   5.0   parsed_5iay   1   
        79   1   .   .   .   .   .   1.8   1.8   5.0   parsed_5iay   1   
        80   1   .   .   .   .   .   1.8   1.8   5.0   parsed_5iay   1   
        81   1   .   .   .   .   .   1.8   1.8   5.0   parsed_5iay   1   
        82   1   .   .   .   .   .   1.8   1.8   5.0   parsed_5iay   1   
        83   1   .   .   .   .   .   1.8   1.8   5.0   parsed_5iay   1   
        84   1   .   .   .   .   .   1.8   1.8   5.0   parsed_5iay   1   
    stop_


    loop_
        _Dist_constraint_comment_org.ID 
        _Dist_constraint_comment_org.Comment_text 
        _Dist_constraint_comment_org.Comment_begin_line 
        _Dist_constraint_comment_org.Comment_begin_column 
        _Dist_constraint_comment_org.Comment_end_line 
        _Dist_constraint_comment_org.Comment_end_column 
        _Dist_constraint_comment_org.Entry_ID 
        _Dist_constraint_comment_org.Distance_constraint_list_ID 

         1   
;
K644 related
! assign (segid PBR and resid  644 and name ha) (segid TTD and resid  193 and name hb#) 1.8 0.0 5.2
! assign (segid PBR and resid  644 and name he1) (segid TTD and resid  192 and name hb#) 1.8 0.0 5.2
! assign (segid PBR and resid  644 and name he2) (segid TTD and resid  192 and name hb#) 1.8 0.0 5.2
! assign (segid PBR and resid  644 and name he#) (segid TTD and resid  192 and name hg#) 1.8 0.0 5.2
! assign (segid PBR and resid  644 and name he#) (segid TTD and resid  193 and name ha) 1.8 0.0 5.2
! assign (segid PBR and resid  644 and name he#) (segid TTD and resid  193 and name hb#) 1.8 0.0 5.2
! assign (segid PBR and resid  644 and name he#) (segid TTD and resid  193 and name hg#) 1.8 0.0 5.2
K646 related
! assign (segid PBR and resid  646 and name ha) (segid TTD and resid  192 and name hd#) 1.8 0.0 4.2
! assign (segid PBR and resid  646 and name ha) (segid TTD and resid  193 and name hb#) 1.8 0.0 4.2
! assign (segid PBR and resid  646 and name hg#) (segid TTD and resid  141 and name hn) 1.8 0.0 4.2
! assign (segid PBR and resid  646 and name he#) (segid TTD and resid  187 and name hb#) 1.8 0.0 5.2
;
     3   1    33   102   parsed_5iay   1   
         2   "W647 related"     39   1    39    15   parsed_5iay   1   
         3   "K648 related"     56   1    56    15   parsed_5iay   1   
         4   "R649 related"     70   1    70    15   parsed_5iay   1   
         5   "K650 related"     83   1    83    15   parsed_5iay   1   
         6   "S651 related"     94   1    94    15   parsed_5iay   1   
         7   "A652 related"    109   1   109    15   parsed_5iay   1   
         8   "G653 related"    124   1   124    15   parsed_5iay   1   
         9   
;
assign (segid PBR and resid  653 and name ha#) (segid TTD and resid  272 and name hb) 1.8 0.0 6.2
G654 related
assign (segid PBR and resid  654 and name ha#) (segid TTD and resid  272 and name hb) 1.8 0.0 5.2
assign (segid PBR and resid  654 and name ha#) (segid TTD and resid  275 and name hb#) 1.8 0.0 5.2
G655 related
assign (segid PBR and resid  655 and name hn) (segid TTD and resid  272 and name hb) 1.8 0.0 5.2
;
   134   1   150    99   parsed_5iay   1   
        10    K644             156   1   156     7   parsed_5iay   1   
        11   
;
G645
intra
;
   172   1   174     8   parsed_5iay   1   
        12   
;
K646
intra
;
   181   1   183     8   parsed_5iay   1   
        13    inter            199   1   199     8   parsed_5iay   1   
        14   
;
W647
intra
;
   208   1   210     8   parsed_5iay   1   
        15    inter            230   1   230     8   parsed_5iay   1   
        16   
;
K648
intra
;
   247   1   250     8   parsed_5iay   1   
        17    inter            258   1   258     8   parsed_5iay   1   
        18    R649             270   1   270     8   parsed_5iay   1   
        19    K650             283   1   283     7   parsed_5iay   1   
        20    S651             300   1   300     7   parsed_5iay   1   
        21    A652             314   1   314     7   parsed_5iay   1   
        22    G653             322   1   322     7   parsed_5iay   1   
        23    G654             336   1   336     7   parsed_5iay   1   
        24    G655             349   1   349     7   parsed_5iay   1   
    stop_


    loop_
        _Dist_constraint_parse_err.ID 
        _Dist_constraint_parse_err.Content 
        _Dist_constraint_parse_err.Begin_line 
        _Dist_constraint_parse_err.Begin_column 
        _Dist_constraint_parse_err.End_line 
        _Dist_constraint_parse_err.End_column 
        _Dist_constraint_parse_err.Entry_ID 
        _Dist_constraint_parse_err.Distance_constraint_list_ID 

        1   "# Restraints file 2: inter_NOE.tbl"      1   1     1   34   parsed_5iay   1   
        2   "# Restraints file 3: PBR_NOE.tbl"      155   1   155   32   parsed_5iay   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. Sunday, June 16, 2024 11:28:01 AM GMT (wattos1)