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
497478 2kzl 17316 cing 2-parsed STAR distance hydrogen bond simple 94


data_2kzl_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2kzl 
    _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_2kzl   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2kzl 
    _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   2kzl   "Master copy"    parsed_2kzl   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2kzl 
    _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   2kzl.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"     0   parsed_2kzl   1   
        1   2kzl.mr   .   .    XPLOR/CNS     2    distance                 "hydrogen bond"      simple             94   parsed_2kzl   1   
        1   2kzl.mr   .   .    XPLOR/CNS     3    distance                  NOE                 simple              0   parsed_2kzl   1   
        1   2kzl.mr   .   .    XPLOR/CNS     4   "dipolar coupling"        "Not applicable"    "Not applicable"     0   parsed_2kzl   1   
        1   2kzl.mr   .   .   "MR format"    5   "nomenclature mapping"    "Not applicable"    "Not applicable"     0   parsed_2kzl   1   
    stop_

save_


save_CNS/XPLOR_distance_constraints_2
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_2kzl 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type    "hydrogen bond" 
    _Distance_constraint_list.Constraint_file_ID  1 
    _Distance_constraint_list.Block_ID            2 
    _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_2kzl   1   
         2   1   .   .   .   parsed_2kzl   1   
         3   1   .   .   .   parsed_2kzl   1   
         4   1   .   .   .   parsed_2kzl   1   
         5   1   .   .   .   parsed_2kzl   1   
         6   1   .   .   .   parsed_2kzl   1   
         7   1   .   .   .   parsed_2kzl   1   
         8   1   .   .   .   parsed_2kzl   1   
         9   1   .   .   .   parsed_2kzl   1   
        10   1   .   .   .   parsed_2kzl   1   
        11   1   .   .   .   parsed_2kzl   1   
        12   1   .   .   .   parsed_2kzl   1   
        13   1   .   .   .   parsed_2kzl   1   
        14   1   .   .   .   parsed_2kzl   1   
        15   1   .   .   .   parsed_2kzl   1   
        16   1   .   .   .   parsed_2kzl   1   
        17   1   .   .   .   parsed_2kzl   1   
        18   1   .   .   .   parsed_2kzl   1   
        19   1   .   .   .   parsed_2kzl   1   
        20   1   .   .   .   parsed_2kzl   1   
        21   1   .   .   .   parsed_2kzl   1   
        22   1   .   .   .   parsed_2kzl   1   
        23   1   .   .   .   parsed_2kzl   1   
        24   1   .   .   .   parsed_2kzl   1   
        25   1   .   .   .   parsed_2kzl   1   
        26   1   .   .   .   parsed_2kzl   1   
        27   1   .   .   .   parsed_2kzl   1   
        28   1   .   .   .   parsed_2kzl   1   
        29   1   .   .   .   parsed_2kzl   1   
        30   1   .   .   .   parsed_2kzl   1   
        31   1   .   .   .   parsed_2kzl   1   
        32   1   .   .   .   parsed_2kzl   1   
        33   1   .   .   .   parsed_2kzl   1   
        34   1   .   .   .   parsed_2kzl   1   
        35   1   .   .   .   parsed_2kzl   1   
        36   1   .   .   .   parsed_2kzl   1   
        37   1   .   .   .   parsed_2kzl   1   
        38   1   .   .   .   parsed_2kzl   1   
        39   1   .   .   .   parsed_2kzl   1   
        40   1   .   .   .   parsed_2kzl   1   
        41   1   .   .   .   parsed_2kzl   1   
        42   1   .   .   .   parsed_2kzl   1   
        43   1   .   .   .   parsed_2kzl   1   
        44   1   .   .   .   parsed_2kzl   1   
        45   1   .   .   .   parsed_2kzl   1   
        46   1   .   .   .   parsed_2kzl   1   
        47   1   .   .   .   parsed_2kzl   1   
        48   1   .   .   .   parsed_2kzl   1   
        49   1   .   .   .   parsed_2kzl   1   
        50   1   .   .   .   parsed_2kzl   1   
        51   1   .   .   .   parsed_2kzl   1   
        52   1   .   .   .   parsed_2kzl   1   
        53   1   .   .   .   parsed_2kzl   1   
        54   1   .   .   .   parsed_2kzl   1   
        55   1   .   .   .   parsed_2kzl   1   
        56   1   .   .   .   parsed_2kzl   1   
        57   1   .   .   .   parsed_2kzl   1   
        58   1   .   .   .   parsed_2kzl   1   
        59   1   .   .   .   parsed_2kzl   1   
        60   1   .   .   .   parsed_2kzl   1   
        61   1   .   .   .   parsed_2kzl   1   
        62   1   .   .   .   parsed_2kzl   1   
        63   1   .   .   .   parsed_2kzl   1   
        64   1   .   .   .   parsed_2kzl   1   
        65   1   .   .   .   parsed_2kzl   1   
        66   1   .   .   .   parsed_2kzl   1   
        67   1   .   .   .   parsed_2kzl   1   
        68   1   .   .   .   parsed_2kzl   1   
        69   1   .   .   .   parsed_2kzl   1   
        70   1   .   .   .   parsed_2kzl   1   
        71   1   .   .   .   parsed_2kzl   1   
        72   1   .   .   .   parsed_2kzl   1   
        73   1   .   .   .   parsed_2kzl   1   
        74   1   .   .   .   parsed_2kzl   1   
        75   1   .   .   .   parsed_2kzl   1   
        76   1   .   .   .   parsed_2kzl   1   
        77   1   .   .   .   parsed_2kzl   1   
        78   1   .   .   .   parsed_2kzl   1   
        79   1   .   .   .   parsed_2kzl   1   
        80   1   .   .   .   parsed_2kzl   1   
        81   1   .   .   .   parsed_2kzl   1   
        82   1   .   .   .   parsed_2kzl   1   
        83   1   .   .   .   parsed_2kzl   1   
        84   1   .   .   .   parsed_2kzl   1   
        85   1   .   .   .   parsed_2kzl   1   
        86   1   .   .   .   parsed_2kzl   1   
        87   1   .   .   .   parsed_2kzl   1   
        88   1   .   .   .   parsed_2kzl   1   
        89   1   .   .   .   parsed_2kzl   1   
        90   1   .   .   .   parsed_2kzl   1   
        91   1   .   .   .   parsed_2kzl   1   
        92   1   .   .   .   parsed_2kzl   1   
        93   1   .   .   .   parsed_2kzl   1   
        94   1   .   .   .   parsed_2kzl   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   .   .   .   .   .   .   .   .   .    1   .   O6    parsed_2kzl   1   
         1   1   2   .   .   .   .   .   .   .   .   .   55   .   H41   parsed_2kzl   1   
         2   1   1   .   .   .   .   .   .   .   .   .    1   .   O6    parsed_2kzl   1   
         2   1   2   .   .   .   .   .   .   .   .   .   55   .   N4    parsed_2kzl   1   
         3   1   1   .   .   .   .   .   .   .   .   .    1   .   H1    parsed_2kzl   1   
         3   1   2   .   .   .   .   .   .   .   .   .   55   .   N3    parsed_2kzl   1   
         4   1   1   .   .   .   .   .   .   .   .   .    1   .   N1    parsed_2kzl   1   
         4   1   2   .   .   .   .   .   .   .   .   .   55   .   N3    parsed_2kzl   1   
         5   1   1   .   .   .   .   .   .   .   .   .    1   .   H21   parsed_2kzl   1   
         5   1   2   .   .   .   .   .   .   .   .   .   55   .   O2    parsed_2kzl   1   
         6   1   1   .   .   .   .   .   .   .   .   .    1   .   N2    parsed_2kzl   1   
         6   1   2   .   .   .   .   .   .   .   .   .   55   .   O2    parsed_2kzl   1   
         7   1   1   .   .   .   .   .   .   .   .   .    2   .   O6    parsed_2kzl   1   
         7   1   2   .   .   .   .   .   .   .   .   .   54   .   H41   parsed_2kzl   1   
         8   1   1   .   .   .   .   .   .   .   .   .    2   .   O6    parsed_2kzl   1   
         8   1   2   .   .   .   .   .   .   .   .   .   54   .   N4    parsed_2kzl   1   
         9   1   1   .   .   .   .   .   .   .   .   .    2   .   H1    parsed_2kzl   1   
         9   1   2   .   .   .   .   .   .   .   .   .   54   .   N3    parsed_2kzl   1   
        10   1   1   .   .   .   .   .   .   .   .   .    2   .   N1    parsed_2kzl   1   
        10   1   2   .   .   .   .   .   .   .   .   .   54   .   N3    parsed_2kzl   1   
        11   1   1   .   .   .   .   .   .   .   .   .    2   .   H21   parsed_2kzl   1   
        11   1   2   .   .   .   .   .   .   .   .   .   54   .   O2    parsed_2kzl   1   
        12   1   1   .   .   .   .   .   .   .   .   .    2   .   N2    parsed_2kzl   1   
        12   1   2   .   .   .   .   .   .   .   .   .   54   .   O2    parsed_2kzl   1   
        13   1   1   .   .   .   .   .   .   .   .   .    3   .   O6    parsed_2kzl   1   
        13   1   2   .   .   .   .   .   .   .   .   .   53   .   H41   parsed_2kzl   1   
        14   1   1   .   .   .   .   .   .   .   .   .    3   .   O6    parsed_2kzl   1   
        14   1   2   .   .   .   .   .   .   .   .   .   53   .   N4    parsed_2kzl   1   
        15   1   1   .   .   .   .   .   .   .   .   .    3   .   H1    parsed_2kzl   1   
        15   1   2   .   .   .   .   .   .   .   .   .   53   .   N3    parsed_2kzl   1   
        16   1   1   .   .   .   .   .   .   .   .   .    3   .   N1    parsed_2kzl   1   
        16   1   2   .   .   .   .   .   .   .   .   .   53   .   N3    parsed_2kzl   1   
        17   1   1   .   .   .   .   .   .   .   .   .    3   .   H21   parsed_2kzl   1   
        17   1   2   .   .   .   .   .   .   .   .   .   53   .   O2    parsed_2kzl   1   
        18   1   1   .   .   .   .   .   .   .   .   .    3   .   N2    parsed_2kzl   1   
        18   1   2   .   .   .   .   .   .   .   .   .   53   .   O2    parsed_2kzl   1   
        19   1   1   .   .   .   .   .   .   .   .   .    4   .   H61   parsed_2kzl   1   
        19   1   2   .   .   .   .   .   .   .   .   .   52   .   O4    parsed_2kzl   1   
        20   1   1   .   .   .   .   .   .   .   .   .    4   .   N6    parsed_2kzl   1   
        20   1   2   .   .   .   .   .   .   .   .   .   52   .   O4    parsed_2kzl   1   
        21   1   1   .   .   .   .   .   .   .   .   .    4   .   N1    parsed_2kzl   1   
        21   1   2   .   .   .   .   .   .   .   .   .   52   .   H3    parsed_2kzl   1   
        22   1   1   .   .   .   .   .   .   .   .   .    4   .   N1    parsed_2kzl   1   
        22   1   2   .   .   .   .   .   .   .   .   .   52   .   N3    parsed_2kzl   1   
        23   1   1   .   .   .   .   .   .   .   .   .    5   .   O6    parsed_2kzl   1   
        23   1   2   .   .   .   .   .   .   .   .   .   51   .   H41   parsed_2kzl   1   
        24   1   1   .   .   .   .   .   .   .   .   .    5   .   O6    parsed_2kzl   1   
        24   1   2   .   .   .   .   .   .   .   .   .   51   .   N4    parsed_2kzl   1   
        25   1   1   .   .   .   .   .   .   .   .   .    5   .   H1    parsed_2kzl   1   
        25   1   2   .   .   .   .   .   .   .   .   .   51   .   N3    parsed_2kzl   1   
        26   1   1   .   .   .   .   .   .   .   .   .    5   .   N1    parsed_2kzl   1   
        26   1   2   .   .   .   .   .   .   .   .   .   51   .   N3    parsed_2kzl   1   
        27   1   1   .   .   .   .   .   .   .   .   .    5   .   H21   parsed_2kzl   1   
        27   1   2   .   .   .   .   .   .   .   .   .   51   .   O2    parsed_2kzl   1   
        28   1   1   .   .   .   .   .   .   .   .   .    5   .   N2    parsed_2kzl   1   
        28   1   2   .   .   .   .   .   .   .   .   .   51   .   O2    parsed_2kzl   1   
        29   1   1   .   .   .   .   .   .   .   .   .   50   .   H61   parsed_2kzl   1   
        29   1   2   .   .   .   .   .   .   .   .   .    6   .   O4    parsed_2kzl   1   
        30   1   1   .   .   .   .   .   .   .   .   .   50   .   N6    parsed_2kzl   1   
        30   1   2   .   .   .   .   .   .   .   .   .    6   .   O4    parsed_2kzl   1   
        31   1   1   .   .   .   .   .   .   .   .   .   50   .   N1    parsed_2kzl   1   
        31   1   2   .   .   .   .   .   .   .   .   .    6   .   H3    parsed_2kzl   1   
        32   1   1   .   .   .   .   .   .   .   .   .   50   .   N1    parsed_2kzl   1   
        32   1   2   .   .   .   .   .   .   .   .   .    6   .   N3    parsed_2kzl   1   
        33   1   1   .   .   .   .   .   .   .   .   .   47   .   H3    parsed_2kzl   1   
        33   1   2   .   .   .   .   .   .   .   .   .   12   .   O2    parsed_2kzl   1   
        34   1   1   .   .   .   .   .   .   .   .   .   47   .   N3    parsed_2kzl   1   
        34   1   2   .   .   .   .   .   .   .   .   .   12   .   O2    parsed_2kzl   1   
        35   1   1   .   .   .   .   .   .   .   .   .   47   .   O4    parsed_2kzl   1   
        35   1   2   .   .   .   .   .   .   .   .   .   12   .   H3    parsed_2kzl   1   
        36   1   1   .   .   .   .   .   .   .   .   .   47   .   O4    parsed_2kzl   1   
        36   1   2   .   .   .   .   .   .   .   .   .   12   .   N3    parsed_2kzl   1   
        37   1   1   .   .   .   .   .   .   .   .   .   46   .   H61   parsed_2kzl   1   
        37   1   2   .   .   .   .   .   .   .   .   .   13   .   O4    parsed_2kzl   1   
        38   1   1   .   .   .   .   .   .   .   .   .   46   .   N6    parsed_2kzl   1   
        38   1   2   .   .   .   .   .   .   .   .   .   13   .   O4    parsed_2kzl   1   
        39   1   1   .   .   .   .   .   .   .   .   .   46   .   N1    parsed_2kzl   1   
        39   1   2   .   .   .   .   .   .   .   .   .   13   .   H3    parsed_2kzl   1   
        40   1   1   .   .   .   .   .   .   .   .   .   46   .   N1    parsed_2kzl   1   
        40   1   2   .   .   .   .   .   .   .   .   .   13   .   N3    parsed_2kzl   1   
        41   1   1   .   .   .   .   .   .   .   .   .   14   .   O6    parsed_2kzl   1   
        41   1   2   .   .   .   .   .   .   .   .   .   45   .   H41   parsed_2kzl   1   
        42   1   1   .   .   .   .   .   .   .   .   .   14   .   O6    parsed_2kzl   1   
        42   1   2   .   .   .   .   .   .   .   .   .   45   .   N4    parsed_2kzl   1   
        43   1   1   .   .   .   .   .   .   .   .   .   14   .   H1    parsed_2kzl   1   
        43   1   2   .   .   .   .   .   .   .   .   .   45   .   N3    parsed_2kzl   1   
        44   1   1   .   .   .   .   .   .   .   .   .   14   .   N1    parsed_2kzl   1   
        44   1   2   .   .   .   .   .   .   .   .   .   45   .   N3    parsed_2kzl   1   
        45   1   1   .   .   .   .   .   .   .   .   .   14   .   H21   parsed_2kzl   1   
        45   1   2   .   .   .   .   .   .   .   .   .   45   .   O2    parsed_2kzl   1   
        46   1   1   .   .   .   .   .   .   .   .   .   14   .   N2    parsed_2kzl   1   
        46   1   2   .   .   .   .   .   .   .   .   .   45   .   O2    parsed_2kzl   1   
        47   1   1   .   .   .   .   .   .   .   .   .   15   .   H61   parsed_2kzl   1   
        47   1   2   .   .   .   .   .   .   .   .   .   44   .   O4    parsed_2kzl   1   
        48   1   1   .   .   .   .   .   .   .   .   .   15   .   N6    parsed_2kzl   1   
        48   1   2   .   .   .   .   .   .   .   .   .   44   .   O4    parsed_2kzl   1   
        49   1   1   .   .   .   .   .   .   .   .   .   15   .   N1    parsed_2kzl   1   
        49   1   2   .   .   .   .   .   .   .   .   .   44   .   H3    parsed_2kzl   1   
        50   1   1   .   .   .   .   .   .   .   .   .   15   .   N1    parsed_2kzl   1   
        50   1   2   .   .   .   .   .   .   .   .   .   44   .   N3    parsed_2kzl   1   
        51   1   1   .   .   .   .   .   .   .   .   .   16   .   O6    parsed_2kzl   1   
        51   1   2   .   .   .   .   .   .   .   .   .   43   .   H41   parsed_2kzl   1   
        52   1   1   .   .   .   .   .   .   .   .   .   16   .   O6    parsed_2kzl   1   
        52   1   2   .   .   .   .   .   .   .   .   .   43   .   N4    parsed_2kzl   1   
        53   1   1   .   .   .   .   .   .   .   .   .   16   .   H1    parsed_2kzl   1   
        53   1   2   .   .   .   .   .   .   .   .   .   43   .   N3    parsed_2kzl   1   
        54   1   1   .   .   .   .   .   .   .   .   .   16   .   N1    parsed_2kzl   1   
        54   1   2   .   .   .   .   .   .   .   .   .   43   .   N3    parsed_2kzl   1   
        55   1   1   .   .   .   .   .   .   .   .   .   16   .   H21   parsed_2kzl   1   
        55   1   2   .   .   .   .   .   .   .   .   .   43   .   O2    parsed_2kzl   1   
        56   1   1   .   .   .   .   .   .   .   .   .   16   .   N2    parsed_2kzl   1   
        56   1   2   .   .   .   .   .   .   .   .   .   43   .   O2    parsed_2kzl   1   
        57   1   1   .   .   .   .   .   .   .   .   .   11   .   H61   parsed_2kzl   1   
        57   1   2   .   .   .   .   .   .   .   .   .   48   .   N3    parsed_2kzl   1   
        58   1   1   .   .   .   .   .   .   .   .   .   11   .   N6    parsed_2kzl   1   
        58   1   2   .   .   .   .   .   .   .   .   .   48   .   N3    parsed_2kzl   1   
        59   1   1   .   .   .   .   .   .   .   .   .   11   .   N7    parsed_2kzl   1   
        59   1   2   .   .   .   .   .   .   .   .   .   48   .   H21   parsed_2kzl   1   
        60   1   1   .   .   .   .   .   .   .   .   .   11   .   N7    parsed_2kzl   1   
        60   1   2   .   .   .   .   .   .   .   .   .   48   .   N2    parsed_2kzl   1   
        61   1   1   .   .   .   .   .   .   .   .   .   24   .   O6    parsed_2kzl   1   
        61   1   2   .   .   .   .   .   .   .   .   .   35   .   H41   parsed_2kzl   1   
        62   1   1   .   .   .   .   .   .   .   .   .   24   .   O6    parsed_2kzl   1   
        62   1   2   .   .   .   .   .   .   .   .   .   35   .   N4    parsed_2kzl   1   
        63   1   1   .   .   .   .   .   .   .   .   .   24   .   H1    parsed_2kzl   1   
        63   1   2   .   .   .   .   .   .   .   .   .   35   .   N3    parsed_2kzl   1   
        64   1   1   .   .   .   .   .   .   .   .   .   24   .   N1    parsed_2kzl   1   
        64   1   2   .   .   .   .   .   .   .   .   .   35   .   N3    parsed_2kzl   1   
        65   1   1   .   .   .   .   .   .   .   .   .   24   .   H21   parsed_2kzl   1   
        65   1   2   .   .   .   .   .   .   .   .   .   35   .   O2    parsed_2kzl   1   
        66   1   1   .   .   .   .   .   .   .   .   .   24   .   N2    parsed_2kzl   1   
        66   1   2   .   .   .   .   .   .   .   .   .   35   .   O2    parsed_2kzl   1   
        67   1   1   .   .   .   .   .   .   .   .   .   25   .   O6    parsed_2kzl   1   
        67   1   2   .   .   .   .   .   .   .   .   .   34   .   H41   parsed_2kzl   1   
        68   1   1   .   .   .   .   .   .   .   .   .   25   .   O6    parsed_2kzl   1   
        68   1   2   .   .   .   .   .   .   .   .   .   34   .   N4    parsed_2kzl   1   
        69   1   1   .   .   .   .   .   .   .   .   .   25   .   H1    parsed_2kzl   1   
        69   1   2   .   .   .   .   .   .   .   .   .   34   .   N3    parsed_2kzl   1   
        70   1   1   .   .   .   .   .   .   .   .   .   25   .   N1    parsed_2kzl   1   
        70   1   2   .   .   .   .   .   .   .   .   .   34   .   N3    parsed_2kzl   1   
        71   1   1   .   .   .   .   .   .   .   .   .   25   .   H21   parsed_2kzl   1   
        71   1   2   .   .   .   .   .   .   .   .   .   34   .   O2    parsed_2kzl   1   
        72   1   1   .   .   .   .   .   .   .   .   .   25   .   N2    parsed_2kzl   1   
        72   1   2   .   .   .   .   .   .   .   .   .   34   .   O2    parsed_2kzl   1   
        73   1   1   .   .   .   .   .   .   .   .   .   26   .   H61   parsed_2kzl   1   
        73   1   2   .   .   .   .   .   .   .   .   .   33   .   O4    parsed_2kzl   1   
        74   1   1   .   .   .   .   .   .   .   .   .   26   .   N6    parsed_2kzl   1   
        74   1   2   .   .   .   .   .   .   .   .   .   33   .   O4    parsed_2kzl   1   
        75   1   1   .   .   .   .   .   .   .   .   .   26   .   N1    parsed_2kzl   1   
        75   1   2   .   .   .   .   .   .   .   .   .   33   .   H3    parsed_2kzl   1   
        76   1   1   .   .   .   .   .   .   .   .   .   26   .   N1    parsed_2kzl   1   
        76   1   2   .   .   .   .   .   .   .   .   .   33   .   N3    parsed_2kzl   1   
        77   1   1   .   .   .   .   .   .   .   .   .   27   .   H41   parsed_2kzl   1   
        77   1   2   .   .   .   .   .   .   .   .   .   32   .   O6    parsed_2kzl   1   
        78   1   1   .   .   .   .   .   .   .   .   .   27   .   N4    parsed_2kzl   1   
        78   1   2   .   .   .   .   .   .   .   .   .   32   .   O6    parsed_2kzl   1   
        79   1   1   .   .   .   .   .   .   .   .   .   27   .   N3    parsed_2kzl   1   
        79   1   2   .   .   .   .   .   .   .   .   .   32   .   H1    parsed_2kzl   1   
        80   1   1   .   .   .   .   .   .   .   .   .   27   .   N3    parsed_2kzl   1   
        80   1   2   .   .   .   .   .   .   .   .   .   32   .   N1    parsed_2kzl   1   
        81   1   1   .   .   .   .   .   .   .   .   .   27   .   O2    parsed_2kzl   1   
        81   1   2   .   .   .   .   .   .   .   .   .   32   .   H21   parsed_2kzl   1   
        82   1   1   .   .   .   .   .   .   .   .   .   27   .   O2    parsed_2kzl   1   
        82   1   2   .   .   .   .   .   .   .   .   .   32   .   N2    parsed_2kzl   1   
        83   1   1   .   .   .   .   .   .   .   .   .   20   .   H61   parsed_2kzl   1   
        83   1   2   .   .   .   .   .   .   .   .   .   38   .   N7    parsed_2kzl   1   
        84   1   1   .   .   .   .   .   .   .   .   .   20   .   N6    parsed_2kzl   1   
        84   1   2   .   .   .   .   .   .   .   .   .   38   .   N7    parsed_2kzl   1   
        85   1   1   .   .   .   .   .   .   .   .   .   20   .   N7    parsed_2kzl   1   
        85   1   2   .   .   .   .   .   .   .   .   .   38   .   H61   parsed_2kzl   1   
        86   1   1   .   .   .   .   .   .   .   .   .   20   .   N7    parsed_2kzl   1   
        86   1   2   .   .   .   .   .   .   .   .   .   38   .   N6    parsed_2kzl   1   
        87   1   1   .   .   .   .   .   .   .   .   .   37   .   H61   parsed_2kzl   1   
        87   1   2   .   .   .   .   .   .   .   .   .   22   .   O2    parsed_2kzl   1   
        88   1   1   .   .   .   .   .   .   .   .   .   37   .   N6    parsed_2kzl   1   
        88   1   2   .   .   .   .   .   .   .   .   .   22   .   O2    parsed_2kzl   1   
        89   1   1   .   .   .   .   .   .   .   .   .   37   .   N7    parsed_2kzl   1   
        89   1   2   .   .   .   .   .   .   .   .   .   22   .   H3    parsed_2kzl   1   
        90   1   1   .   .   .   .   .   .   .   .   .   37   .   N7    parsed_2kzl   1   
        90   1   2   .   .   .   .   .   .   .   .   .   22   .   N3    parsed_2kzl   1   
        91   1   1   .   .   .   .   .   .   .   .   .   23   .   H61   parsed_2kzl   1   
        91   1   2   .   .   .   .   .   .   .   .   .   36   .   N3    parsed_2kzl   1   
        92   1   1   .   .   .   .   .   .   .   .   .   23   .   N6    parsed_2kzl   1   
        92   1   2   .   .   .   .   .   .   .   .   .   36   .   N3    parsed_2kzl   1   
        93   1   1   .   .   .   .   .   .   .   .   .   23   .   N7    parsed_2kzl   1   
        93   1   2   .   .   .   .   .   .   .   .   .   36   .   H21   parsed_2kzl   1   
        94   1   1   .   .   .   .   .   .   .   .   .   23   .   N7    parsed_2kzl   1   
        94   1   2   .   .   .   .   .   .   .   .   .   36   .   N2    parsed_2kzl   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   .   .   .   .   .   2.00   1.80   2.40   parsed_2kzl   1   
         2   1   .   .   .   .   .   2.90   2.60   3.50   parsed_2kzl   1   
         3   1   .   .   .   .   .   2.00   1.80   2.40   parsed_2kzl   1   
         4   1   .   .   .   .   .   2.90   2.60   3.50   parsed_2kzl   1   
         5   1   .   .   .   .   .   2.00   1.80   2.40   parsed_2kzl   1   
         6   1   .   .   .   .   .   2.90   2.60   3.50   parsed_2kzl   1   
         7   1   .   .   .   .   .   2.00   1.80   2.40   parsed_2kzl   1   
         8   1   .   .   .   .   .   2.90   2.60   3.50   parsed_2kzl   1   
         9   1   .   .   .   .   .   2.00   1.80   2.40   parsed_2kzl   1   
        10   1   .   .   .   .   .   2.90   2.60   3.50   parsed_2kzl   1   
        11   1   .   .   .   .   .   2.00   1.80   2.40   parsed_2kzl   1   
        12   1   .   .   .   .   .   2.90   2.60   3.50   parsed_2kzl   1   
        13   1   .   .   .   .   .   2.00   1.80   2.40   parsed_2kzl   1   
        14   1   .   .   .   .   .   2.90   2.60   3.50   parsed_2kzl   1   
        15   1   .   .   .   .   .   2.00   1.80   2.40   parsed_2kzl   1   
        16   1   .   .   .   .   .   2.90   2.60   3.50   parsed_2kzl   1   
        17   1   .   .   .   .   .   2.00   1.80   2.40   parsed_2kzl   1   
        18   1   .   .   .   .   .   2.90   2.60   3.50   parsed_2kzl   1   
        19   1   .   .   .   .   .   2.00   1.80   2.40   parsed_2kzl   1   
        20   1   .   .   .   .   .   2.90   2.60   3.50   parsed_2kzl   1   
        21   1   .   .   .   .   .   2.00   1.80   2.40   parsed_2kzl   1   
        22   1   .   .   .   .   .   2.90   2.60   3.50   parsed_2kzl   1   
        23   1   .   .   .   .   .   2.00   1.80   2.40   parsed_2kzl   1   
        24   1   .   .   .   .   .   2.90   2.60   3.50   parsed_2kzl   1   
        25   1   .   .   .   .   .   2.00   1.80   2.40   parsed_2kzl   1   
        26   1   .   .   .   .   .   2.90   2.60   3.50   parsed_2kzl   1   
        27   1   .   .   .   .   .   2.00   1.80   2.40   parsed_2kzl   1   
        28   1   .   .   .   .   .   2.90   2.60   3.50   parsed_2kzl   1   
        29   1   .   .   .   .   .   2.00   1.80   2.40   parsed_2kzl   1   
        30   1   .   .   .   .   .   2.90   2.60   3.50   parsed_2kzl   1   
        31   1   .   .   .   .   .   2.00   1.80   2.40   parsed_2kzl   1   
        32   1   .   .   .   .   .   2.90   2.60   3.50   parsed_2kzl   1   
        33   1   .   .   .   .   .   2.50   2.30   2.90   parsed_2kzl   1   
        34   1   .   .   .   .   .   3.20   2.90   3.80   parsed_2kzl   1   
        35   1   .   .   .   .   .   2.50   2.30   2.90   parsed_2kzl   1   
        36   1   .   .   .   .   .   3.20   2.90   3.80   parsed_2kzl   1   
        37   1   .   .   .   .   .   2.00   1.80   2.40   parsed_2kzl   1   
        38   1   .   .   .   .   .   2.90   2.60   3.50   parsed_2kzl   1   
        39   1   .   .   .   .   .   2.00   1.80   2.40   parsed_2kzl   1   
        40   1   .   .   .   .   .   2.90   2.60   3.50   parsed_2kzl   1   
        41   1   .   .   .   .   .   2.00   1.80   2.40   parsed_2kzl   1   
        42   1   .   .   .   .   .   2.90   2.60   3.50   parsed_2kzl   1   
        43   1   .   .   .   .   .   2.00   1.80   2.40   parsed_2kzl   1   
        44   1   .   .   .   .   .   2.90   2.60   3.50   parsed_2kzl   1   
        45   1   .   .   .   .   .   2.00   1.80   2.40   parsed_2kzl   1   
        46   1   .   .   .   .   .   2.90   2.60   3.50   parsed_2kzl   1   
        47   1   .   .   .   .   .   2.00   1.80   2.40   parsed_2kzl   1   
        48   1   .   .   .   .   .   2.90   2.60   3.50   parsed_2kzl   1   
        49   1   .   .   .   .   .   2.00   1.80   2.40   parsed_2kzl   1   
        50   1   .   .   .   .   .   2.90   2.60   3.50   parsed_2kzl   1   
        51   1   .   .   .   .   .   2.00   1.80   2.40   parsed_2kzl   1   
        52   1   .   .   .   .   .   2.90   2.60   3.50   parsed_2kzl   1   
        53   1   .   .   .   .   .   2.00   1.80   2.40   parsed_2kzl   1   
        54   1   .   .   .   .   .   2.90   2.60   3.50   parsed_2kzl   1   
        55   1   .   .   .   .   .   2.00   1.80   2.40   parsed_2kzl   1   
        56   1   .   .   .   .   .   2.90   2.60   3.50   parsed_2kzl   1   
        57   1   .   .   .   .   .   2.40   2.20   2.90   parsed_2kzl   1   
        58   1   .   .   .   .   .   3.40   3.10   4.10   parsed_2kzl   1   
        59   1   .   .   .   .   .   2.0    1.8    2.3    parsed_2kzl   1   
        60   1   .   .   .   .   .   2.80   2.50   3.50   parsed_2kzl   1   
        61   1   .   .   .   .   .   2.00   1.80   2.40   parsed_2kzl   1   
        62   1   .   .   .   .   .   2.90   2.60   3.50   parsed_2kzl   1   
        63   1   .   .   .   .   .   2.00   1.80   2.40   parsed_2kzl   1   
        64   1   .   .   .   .   .   2.90   2.60   3.50   parsed_2kzl   1   
        65   1   .   .   .   .   .   2.00   1.80   2.40   parsed_2kzl   1   
        66   1   .   .   .   .   .   2.90   2.60   3.50   parsed_2kzl   1   
        67   1   .   .   .   .   .   2.00   1.80   2.40   parsed_2kzl   1   
        68   1   .   .   .   .   .   2.90   2.60   3.50   parsed_2kzl   1   
        69   1   .   .   .   .   .   2.00   1.80   2.40   parsed_2kzl   1   
        70   1   .   .   .   .   .   2.90   2.60   3.50   parsed_2kzl   1   
        71   1   .   .   .   .   .   2.00   1.80   2.40   parsed_2kzl   1   
        72   1   .   .   .   .   .   2.90   2.60   3.50   parsed_2kzl   1   
        73   1   .   .   .   .   .   2.00   1.80   2.40   parsed_2kzl   1   
        74   1   .   .   .   .   .   2.90   2.60   3.50   parsed_2kzl   1   
        75   1   .   .   .   .   .   2.00   1.80   2.40   parsed_2kzl   1   
        76   1   .   .   .   .   .   2.90   2.60   3.50   parsed_2kzl   1   
        77   1   .   .   .   .   .   2.00   1.70   2.50   parsed_2kzl   1   
        78   1   .   .   .   .   .   2.90   2.50   3.50   parsed_2kzl   1   
        79   1   .   .   .   .   .   2.00   1.70   2.50   parsed_2kzl   1   
        80   1   .   .   .   .   .   2.90   2.50   3.50   parsed_2kzl   1   
        81   1   .   .   .   .   .   2.00   1.70   2.50   parsed_2kzl   1   
        82   1   .   .   .   .   .   2.90   2.50   3.50   parsed_2kzl   1   
        83   1   .   .   .   .   .   3.00   2.50   3.50   parsed_2kzl   1   
        84   1   .   .   .   .   .   3.00   2.50   3.50   parsed_2kzl   1   
        85   1   .   .   .   .   .   2.50   2.00   3.00   parsed_2kzl   1   
        86   1   .   .   .   .   .   3.00   2.50   3.50   parsed_2kzl   1   
        87   1   .   .   .   .   .   2.00   1.60   2.50   parsed_2kzl   1   
        88   1   .   .   .   .   .   2.50   2.00   3.00   parsed_2kzl   1   
        89   1   .   .   .   .   .   2.50   2.00   3.00   parsed_2kzl   1   
        90   1   .   .   .   .   .   3.00   2.50   3.50   parsed_2kzl   1   
        91   1   .   .   .   .   .   2.60   2.20   3.10   parsed_2kzl   1   
        92   1   .   .   .   .   .   3.50   3.00   4.00   parsed_2kzl   1   
        93   1   .   .   .   .   .   2.4    2.0    2.9    parsed_2kzl   1   
        94   1   .   .   .   .   .   3.00   2.50   3.50   parsed_2kzl   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   
;
Modified by jwang
a summarize noed table combined by hhnoeDH.tbl and hbnoe.tbl
for 38mer from anneal_SLX26.inp
stem loop 1-2-3~36-37-38in 38mer is same as 1-2-3~24-25-26 in SLX26
Also

----------following from GA motif 33mer---------------------

G1-C55
;
     1    1    10     2   parsed_2kzl   1   
         2    G2-C54                                     17    1    19     2   parsed_2kzl   1   
         3    G3-C53                                     26    1    28     2   parsed_2kzl   1   
         4    A4-U52                                     35    1    37     2   parsed_2kzl   1   
         5    G5-C51                                     42    1    44     2   parsed_2kzl   1   
         6    U6-A50                                     51    1    53     2   parsed_2kzl   1   
         7   
;
U47-U12-added on July-24-2009
UU imino-4-carbonyl (U12O2-U25H3/U12H3-U25O4) shoud be the correct one
;
    59    1    61    72   parsed_2kzl   1   
         8   
;
UU imino-4-carbonyl (U12O4-U25H3/U12H3-U25O2)
assign ( resid 12 and name H3  ) ( resid 47 and name O2   ) 2.50 0.2 0.4
assign ( resid 12 and name N3  ) ( resid 47 and name O2   ) 3.20 0.3 0.6
assign ( resid 12 and name O4  ) ( resid 47 and name H3   ) 2.50 0.2 0.4
assign ( resid 12 and name O4  ) ( resid 47 and name N3   ) 3.20 0.3 0.6

U13-A46
;
    67    1    75     2   parsed_2kzl   1   
         9    G14-C45                                    80    1    82     2   parsed_2kzl   1   
        10    A15-U44                                    89    1    91     2   parsed_2kzl   1   
        11    G16-C43                                    97    1    99     2   parsed_2kzl   1   
        12   "A11-G48 sheared (A11-G26 in GA motif)"    107    1   109     2   parsed_2kzl   1   
        13   "2.39 loopE in 1SCL/2.4 in KT46"           110   75   110   106   parsed_2kzl   1   
        14   "3.39 loopE in 1SCL/3.4 in KT46"           111   75   111   106   parsed_2kzl   1   
        15   "1.59 loopE in 1SCL/1.8 in KT46"           112   74   112   105   parsed_2kzl   1   
        16   
;
2.53 loopE in 1SCL/2.7 in KT46

G10-A49 sheared (G10-A27 in GA motif)

assign ( resid 49 and name H61  ) ( resid 10 and name N3   ) 2.60 0.4 0.5 !2.39 loopE in 1SCL
assign ( resid 49 and name N6   ) ( resid 10 and name N3   ) 3.50 0.3 0.7 !3.39 loopE in 1SCL
assign ( resid 49 and name N7  ) ( resid 10 and name H21   ) 2.4 0.4 0.5 !1.59 loopE in 1SCL
assign ( resid 49 and name N7  ) ( resid 10 and name N2   ) 2.80 0.3 0.7 !2.53 loopE in 1SCL
----------following from specifier domain 38mer---------------------

G24-C35
;
   113   74   126     2   parsed_2kzl   1   
        17    G25-C34                                   133    1   135     2   parsed_2kzl   1   
        18   "A26-U33 from A9-U18 in slx26"             142    1   144     2   parsed_2kzl   1   
        19    C27-G32                                   149    1   151     2   parsed_2kzl   1   
        20   
;
Loop E region

A20-A38 parallel (A10-A28 in Specifier domain 38mer)
;
   158    1   162     2   parsed_2kzl   1   
        21   "2.31 loopE in 1SCL"                       163   75   163    94   parsed_2kzl   1   
        22   "2.94 loopE in 1SCL"                       164   74   164    93   parsed_2kzl   1   
        23   "2.27 loopE in 1SCL"                       165   75   165    94   parsed_2kzl   1   
        24   
;
2.86 loopE in 1SCL

U22-A37 reverse Hoogsteen (U12-A27 Specifier domain 38mer)
;
   166   75   169     2   parsed_2kzl   1   
        25   "1.65 loopE in 1SCL"                       170   75   170    94   parsed_2kzl   1   
        26   "2.63 loopE in 1SCL"                       171   74   171    93   parsed_2kzl   1   
        27   "2.02 loopE in 1SCL"                       172   74   172    93   parsed_2kzl   1   
        28   
;
2.97 loopE in 1SCL

A23-G36 sheared (A13-G26 Specifier domain 38mer)
;
   173   74   176     2   parsed_2kzl   1   
        29   "2.39 loopE in 1SCL"                       177   75   177    94   parsed_2kzl   1   
        30   "3.39 loopE in 1SCL"                       178   74   178    93   parsed_2kzl   1   
        31   "1.59 loopE in 1SCL"                       179   74   179    93   parsed_2kzl   1   
        32   "2.53 loopE in 1SCL"                       180   74   180    93   parsed_2kzl   1   
    stop_

save_





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