NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id cing stage program type subtype subsubtype item_count
35309 1las cing 2-parsed STAR distance NOE ambi 59


data_1las_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1las 
    _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_1las   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1las 
    _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   1las   "Master copy"    parsed_1las   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1las 
    _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   1las.mr   .   .   "MR format"     1    comment                  "Not applicable"    "Not applicable"      0   parsed_1las   1   
        1   1las.mr   .   .    n/a            2    comment                  "Not applicable"    "Not applicable"      0   parsed_1las   1   
        1   1las.mr   .   .    XPLOR/CNS      3    distance                  NOE                 ambi               182   parsed_1las   1   
        1   1las.mr   .   .    n/a            4    comment                  "Not applicable"    "Not applicable"      0   parsed_1las   1   
        1   1las.mr   .   .    XPLOR/CNS      5    distance                  NOE                 ambi               140   parsed_1las   1   
        1   1las.mr   .   .    n/a            6    comment                  "Not applicable"    "Not applicable"      0   parsed_1las   1   
        1   1las.mr   .   .    XPLOR/CNS      7    distance                  NOE                 ambi               188   parsed_1las   1   
        1   1las.mr   .   .    n/a            8    comment                  "Not applicable"    "Not applicable"      0   parsed_1las   1   
        1   1las.mr   .   .    XPLOR/CNS      9    distance                  NOE                 ambi                59   parsed_1las   1   
        1   1las.mr   .   .    n/a           10    comment                  "Not applicable"    "Not applicable"      0   parsed_1las   1   
        1   1las.mr   .   .    XPLOR/CNS     11    distance                  NOE                 ambi                 0   parsed_1las   1   
        1   1las.mr   .   .    n/a           12    comment                  "Not applicable"    "Not applicable"      0   parsed_1las   1   
        1   1las.mr   .   .    XPLOR/CNS     13   "dihedral angle"          "Not applicable"    "Not applicable"      0   parsed_1las   1   
        1   1las.mr   .   .    n/a           14    comment                  "Not applicable"    "Not applicable"      0   parsed_1las   1   
        1   1las.mr   .   .    XPLOR/CNS     15   "dihedral angle"          "Not applicable"    "Not applicable"      0   parsed_1las   1   
        1   1las.mr   .   .    n/a           16    comment                  "Not applicable"    "Not applicable"      0   parsed_1las   1   
        1   1las.mr   .   .    XPLOR/CNS     17   "dihedral angle"          "Not applicable"    "Not applicable"      0   parsed_1las   1   
        1   1las.mr   .   .    n/a           18    comment                  "Not applicable"    "Not applicable"      0   parsed_1las   1   
        1   1las.mr   .   .   "MR format"    19   "nomenclature mapping"    "Not applicable"    "Not applicable"      0   parsed_1las   1   
    stop_

save_


save_CNS/XPLOR_distance_constraints_9
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_1las 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type     NOE 
    _Distance_constraint_list.Constraint_file_ID  1 
    _Distance_constraint_list.Block_ID            9 
    _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_1las   1   
         2   1   .   .   .   parsed_1las   1   
         3   1   .   .   .   parsed_1las   1   
         4   1   .   .   .   parsed_1las   1   
         5   1   .   .   .   parsed_1las   1   
         6   1   .   .   .   parsed_1las   1   
         7   1   .   .   .   parsed_1las   1   
         8   1   .   .   .   parsed_1las   1   
         9   1   .   .   .   parsed_1las   1   
        10   1   .   .   .   parsed_1las   1   
        11   1   .   .   .   parsed_1las   1   
        12   1   .   .   .   parsed_1las   1   
        13   1   .   .   .   parsed_1las   1   
        14   1   .   .   .   parsed_1las   1   
        15   1   .   .   .   parsed_1las   1   
        16   1   .   .   .   parsed_1las   1   
        17   1   .   .   .   parsed_1las   1   
        18   1   .   .   .   parsed_1las   1   
        19   1   .   .   .   parsed_1las   1   
        20   1   .   .   .   parsed_1las   1   
        21   1   .   .   .   parsed_1las   1   
        22   1   .   .   .   parsed_1las   1   
        23   1   .   .   .   parsed_1las   1   
        24   1   .   .   .   parsed_1las   1   
        25   1   .   .   .   parsed_1las   1   
        26   1   .   .   .   parsed_1las   1   
        27   1   .   .   .   parsed_1las   1   
        28   1   .   .   .   parsed_1las   1   
        29   1   .   .   .   parsed_1las   1   
        30   1   .   .   .   parsed_1las   1   
        31   1   .   .   .   parsed_1las   1   
        32   1   .   .   .   parsed_1las   1   
        33   1   .   .   .   parsed_1las   1   
        34   1   .   .   .   parsed_1las   1   
        35   1   .   .   .   parsed_1las   1   
        36   1   .   .   .   parsed_1las   1   
        37   1   .   .   .   parsed_1las   1   
        38   1   .   .   .   parsed_1las   1   
        39   1   .   .   .   parsed_1las   1   
        40   1   .   .   .   parsed_1las   1   
        41   1   .   .   .   parsed_1las   1   
        42   1   .   .   .   parsed_1las   1   
        43   1   .   .   .   parsed_1las   1   
        44   1   .   .   .   parsed_1las   1   
        45   1   .   .   .   parsed_1las   1   
        46   1   .   .   .   parsed_1las   1   
        47   1   .   .   .   parsed_1las   1   
        48   1   .   .   .   parsed_1las   1   
        49   1   .   .   .   parsed_1las   1   
        50   1   .   .   .   parsed_1las   1   
        51   1   .   .   .   parsed_1las   1   
        52   1   .   .   .   parsed_1las   1   
        53   1   .   .   .   parsed_1las   1   
        54   1   .   .   .   parsed_1las   1   
        55   1   .   .   .   parsed_1las   1   
        56   1   .   .   .   parsed_1las   1   
        57   1   .   .   .   parsed_1las   1   
        58   1   .   .   .   parsed_1las   1   
        59   1   .   .   .   parsed_1las   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   .   H1'    parsed_1las   1   
         1   1   2   .   .   .   .   .   .   .   .   .    1   .   H4'    parsed_1las   1   
         2   1   1   .   .   .   .   .   .   .   .   .    1   .   H2'    parsed_1las   1   
         2   1   2   .   .   .   .   .   .   .   .   .    1   .   H4'    parsed_1las   1   
         3   1   1   .   .   .   .   .   .   .   .   .    1   .   H2''   parsed_1las   1   
         3   1   2   .   .   .   .   .   .   .   .   .    1   .   H4'    parsed_1las   1   
         4   1   1   .   .   .   .   .   .   .   .   .    3   .   H6     parsed_1las   1   
         4   1   2   .   .   .   .   .   .   .   .   .    2   .   H2'    parsed_1las   1   
         5   1   1   .   .   .   .   .   .   .   .   .    3   .   H5     parsed_1las   1   
         5   1   2   .   .   .   .   .   .   .   .   .    3   .   H1'    parsed_1las   1   
         6   1   1   .   .   .   .   .   .   .   .   .    3   .   H1'    parsed_1las   1   
         6   1   2   .   .   .   .   .   .   .   .   .    3   .   H4'    parsed_1las   1   
         7   1   1   .   .   .   .   .   .   .   .   .    3   .   H2'    parsed_1las   1   
         7   1   2   .   .   .   .   .   .   .   .   .    3   .   H3'    parsed_1las   1   
         8   1   1   .   .   .   .   .   .   .   .   .    3   .   H3'    parsed_1las   1   
         8   1   2   .   .   .   .   .   .   .   .   .    3   .   H4'    parsed_1las   1   
         9   1   1   .   .   .   .   .   .   .   .   .    5   .   H1'    parsed_1las   1   
         9   1   2   .   .   .   .   .   .   .   .   .    5   .   H4'    parsed_1las   1   
        10   1   1   .   .   .   .   .   .   .   .   .    8   .   H6     parsed_1las   1   
        10   1   2   .   .   .   .   .   .   .   .   .    8   .   H4'    parsed_1las   1   
        11   1   1   .   .   .   .   .   .   .   .   .    8   .   H5'    parsed_1las   1   
        11   1   1   .   .   .   .   .   .   .   .   .    8   .   H5''   parsed_1las   1   
        11   1   2   .   .   .   .   .   .   .   .   .    8   .   H6     parsed_1las   1   
        12   1   1   .   .   .   .   .   .   .   .   .    8   .   H5'    parsed_1las   1   
        12   1   1   .   .   .   .   .   .   .   .   .    8   .   H5''   parsed_1las   1   
        12   1   2   .   .   .   .   .   .   .   .   .    8   .   H1'    parsed_1las   1   
        13   1   1   .   .   .   .   .   .   .   .   .    8   .   H3'    parsed_1las   1   
        13   1   2   .   .   .   .   .   .   .   .   .    8   .   H4'    parsed_1las   1   
        14   1   1   .   .   .   .   .   .   .   .   .    8   .   H1'    parsed_1las   1   
        14   1   2   .   .   .   .   .   .   .   .   .    9   .   H4'    parsed_1las   1   
        15   1   1   .   .   .   .   .   .   .   .   .    9   .   H6     parsed_1las   1   
        15   1   2   .   .   .   .   .   .   .   .   .    8   .   H4'    parsed_1las   1   
        16   1   1   .   .   .   .   .   .   .   .   .    9   .   H6     parsed_1las   1   
        16   1   2   .   .   .   .   .   .   .   .   .    9   .   H2''   parsed_1las   1   
        17   1   1   .   .   .   .   .   .   .   .   .    9   .   H6     parsed_1las   1   
        17   1   2   .   .   .   .   .   .   .   .   .   10   .   H5     parsed_1las   1   
        18   1   1   .   .   .   .   .   .   .   .   .   10   .   H6     parsed_1las   1   
        18   1   2   .   .   .   .   .   .   .   .   .    9   .   H2''   parsed_1las   1   
        19   1   1   .   .   .   .   .   .   .   .   .   10   .   H5     parsed_1las   1   
        19   1   2   .   .   .   .   .   .   .   .   .    9   .   H2'    parsed_1las   1   
        20   1   1   .   .   .   .   .   .   .   .   .   10   .   H5     parsed_1las   1   
        20   1   2   .   .   .   .   .   .   .   .   .   10   .   H2'    parsed_1las   1   
        21   1   1   .   .   .   .   .   .   .   .   .   10   .   H1'    parsed_1las   1   
        21   1   2   .   .   .   .   .   .   .   .   .   10   .   H2'    parsed_1las   1   
        22   1   1   .   .   .   .   .   .   .   .   .   10   .   H1'    parsed_1las   1   
        22   1   2   .   .   .   .   .   .   .   .   .   10   .   H2''   parsed_1las   1   
        23   1   1   .   .   .   .   .   .   .   .   .   12   .   H2''   parsed_1las   1   
        23   1   2   .   .   .   .   .   .   .   .   .   12   .   H4'    parsed_1las   1   
        24   1   1   .   .   .   .   .   .   .   .   .   12   .   H1'    parsed_1las   1   
        24   1   2   .   .   .   .   .   .   .   .   .   13   .   H2'    parsed_1las   1   
        25   1   1   .   .   .   .   .   .   .   .   .   13   .   H2'    parsed_1las   1   
        25   1   2   .   .   .   .   .   .   .   .   .   13   .   H4'    parsed_1las   1   
        26   1   1   .   .   .   .   .   .   .   .   .   13   .   H2''   parsed_1las   1   
        26   1   2   .   .   .   .   .   .   .   .   .   13   .   H4'    parsed_1las   1   
        27   1   1   .   .   .   .   .   .   .   .   .   14   .   H1'    parsed_1las   1   
        27   1   2   .   .   .   .   .   .   .   .   .   14   .   H4'    parsed_1las   1   
        28   1   1   .   .   .   .   .   .   .   .   .   14   .   H2'    parsed_1las   1   
        28   1   2   .   .   .   .   .   .   .   .   .   14   .   H4'    parsed_1las   1   
        29   1   1   .   .   .   .   .   .   .   .   .   14   .   H2''   parsed_1las   1   
        29   1   2   .   .   .   .   .   .   .   .   .   14   .   H4'    parsed_1las   1   
        30   1   1   .   .   .   .   .   .   .   .   .   16   .   H6     parsed_1las   1   
        30   1   2   .   .   .   .   .   .   .   .   .   15   .   H2'    parsed_1las   1   
        31   1   1   .   .   .   .   .   .   .   .   .   16   .   H5     parsed_1las   1   
        31   1   2   .   .   .   .   .   .   .   .   .   16   .   H1'    parsed_1las   1   
        32   1   1   .   .   .   .   .   .   .   .   .   16   .   H1'    parsed_1las   1   
        32   1   2   .   .   .   .   .   .   .   .   .   16   .   H4'    parsed_1las   1   
        33   1   1   .   .   .   .   .   .   .   .   .   16   .   H3'    parsed_1las   1   
        33   1   2   .   .   .   .   .   .   .   .   .   16   .   H4'    parsed_1las   1   
        34   1   1   .   .   .   .   .   .   .   .   .   18   .   H2'    parsed_1las   1   
        34   1   2   .   .   .   .   .   .   .   .   .   18   .   H4'    parsed_1las   1   
        35   1   1   .   .   .   .   .   .   .   .   .   18   .   H5'    parsed_1las   1   
        35   1   1   .   .   .   .   .   .   .   .   .   18   .   H5''   parsed_1las   1   
        35   1   2   .   .   .   .   .   .   .   .   .   18   .   H3'    parsed_1las   1   
        36   1   1   .   .   .   .   .   .   .   .   .   19   .   H5'    parsed_1las   1   
        36   1   1   .   .   .   .   .   .   .   .   .   19   .   H5''   parsed_1las   1   
        36   1   2   .   .   .   .   .   .   .   .   .   19   .   H3'    parsed_1las   1   
        37   1   1   .   .   .   .   .   .   .   .   .   19   .   H1'    parsed_1las   1   
        37   1   2   .   .   .   .   .   .   .   .   .   20   .   H3'    parsed_1las   1   
        38   1   1   .   .   .   .   .   .   .   .   .   20   .   H1'    parsed_1las   1   
        38   1   2   .   .   .   .   .   .   .   .   .   20   .   H2''   parsed_1las   1   
        39   1   1   .   .   .   .   .   .   .   .   .   20   .   H1'    parsed_1las   1   
        39   1   2   .   .   .   .   .   .   .   .   .   20   .   H5'    parsed_1las   1   
        40   1   1   .   .   .   .   .   .   .   .   .   20   .   H2'    parsed_1las   1   
        40   1   2   .   .   .   .   .   .   .   .   .   20   .   H3'    parsed_1las   1   
        41   1   1   .   .   .   .   .   .   .   .   .   20   .   H2''   parsed_1las   1   
        41   1   2   .   .   .   .   .   .   .   .   .   20   .   H3'    parsed_1las   1   
        42   1   1   .   .   .   .   .   .   .   .   .   20   .   H3'    parsed_1las   1   
        42   1   2   .   .   .   .   .   .   .   .   .   20   .   H4'    parsed_1las   1   
        43   1   1   .   .   .   .   .   .   .   .   .   21   .   H3'    parsed_1las   1   
        43   1   2   .   .   .   .   .   .   .   .   .   21   .   H5'    parsed_1las   1   
        44   1   1   .   .   .   .   .   .   .   .   .   21   .   H2     parsed_1las   1   
        44   1   2   .   .   .   .   .   .   .   .   .   22   .   H1'    parsed_1las   1   
        45   1   1   .   .   .   .   .   .   .   .   .   22   .   H6     parsed_1las   1   
        45   1   2   .   .   .   .   .   .   .   .   .   21   .   H3'    parsed_1las   1   
        46   1   1   .   .   .   .   .   .   .   .   .   22   .   H6     parsed_1las   1   
        46   1   2   .   .   .   .   .   .   .   .   .   22   .   H1'    parsed_1las   1   
        47   1   1   .   .   .   .   .   .   .   .   .   23   .   H6     parsed_1las   1   
        47   1   2   .   .   .   .   .   .   .   .   .   22   .   H2'    parsed_1las   1   
        48   1   1   .   .   .   .   .   .   .   .   .   23   .   H6     parsed_1las   1   
        48   1   2   .   .   .   .   .   .   .   .   .   22   .   H2''   parsed_1las   1   
        49   1   1   .   .   .   .   .   .   .   .   .   23   .   H5     parsed_1las   1   
        49   1   2   .   .   .   .   .   .   .   .   .   22   .   H5     parsed_1las   1   
        50   1   1   .   .   .   .   .   .   .   .   .   23   .   H6     parsed_1las   1   
        50   1   2   .   .   .   .   .   .   .   .   .   23   .   H2'    parsed_1las   1   
        51   1   1   .   .   .   .   .   .   .   .   .   23   .   H6     parsed_1las   1   
        51   1   2   .   .   .   .   .   .   .   .   .   23   .   H2''   parsed_1las   1   
        52   1   1   .   .   .   .   .   .   .   .   .   23   .   H2'    parsed_1las   1   
        52   1   2   .   .   .   .   .   .   .   .   .   23   .   H4'    parsed_1las   1   
        53   1   1   .   .   .   .   .   .   .   .   .   24   .   H8     parsed_1las   1   
        53   1   2   .   .   .   .   .   .   .   .   .   23   .   H1'    parsed_1las   1   
        54   1   1   .   .   .   .   .   .   .   .   .   24   .   H8     parsed_1las   1   
        54   1   2   .   .   .   .   .   .   .   .   .   24   .   H1'    parsed_1las   1   
        55   1   1   .   .   .   .   .   .   .   .   .   24   .   H8     parsed_1las   1   
        55   1   2   .   .   .   .   .   .   .   .   .   25   .   H5     parsed_1las   1   
        56   1   1   .   .   .   .   .   .   .   .   .   25   .   H2''   parsed_1las   1   
        56   1   2   .   .   .   .   .   .   .   .   .   25   .   H4'    parsed_1las   1   
        57   1   1   .   .   .   .   .   .   .   .   .   25   .   H1'    parsed_1las   1   
        57   1   2   .   .   .   .   .   .   .   .   .   26   .   H2'    parsed_1las   1   
        58   1   1   .   .   .   .   .   .   .   .   .   26   .   H2'    parsed_1las   1   
        58   1   2   .   .   .   .   .   .   .   .   .   26   .   H4'    parsed_1las   1   
        59   1   1   .   .   .   .   .   .   .   .   .   26   .   H2''   parsed_1las   1   
        59   1   2   .   .   .   .   .   .   .   .   .   26   .   H4'    parsed_1las   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   .   .   .   .   .   3.08   2.10   4.05   parsed_1las   1   
         2   1   .   .   .   .   .   2.87   1.74   3.99   parsed_1las   1   
         3   1   .   .   .   .   .   3.16   2.15   4.16   parsed_1las   1   
         4   1   .   .   .   .   .   3.48   3.00   3.96   parsed_1las   1   
         5   1   .   .   .   .   .   5.50   4.25   6.75   parsed_1las   1   
         6   1   .   .   .   .   .   3.23   2.40   4.06   parsed_1las   1   
         7   1   .   .   .   .   .   2.62   2.08   3.16   parsed_1las   1   
         8   1   .   .   .   .   .   2.34   1.95   2.73   parsed_1las   1   
         9   1   .   .   .   .   .   3.38   2.40   4.37   parsed_1las   1   
        10   1   .   .   .   .   .   3.73   2.29   5.17   parsed_1las   1   
        11   1   .   .   .   .   .   3.44   2.50   4.38   parsed_1las   1   
        12   1   .   .   .   .   .   3.83   2.58   5.08   parsed_1las   1   
        13   1   .   .   .   .   .   2.54   2.18   2.91   parsed_1las   1   
        14   1   .   .   .   .   .   3.77   2.44   5.10   parsed_1las   1   
        15   1   .   .   .   .   .   4.43   3.07   5.80   parsed_1las   1   
        16   1   .   .   .   .   .   2.83   1.99   3.68   parsed_1las   1   
        17   1   .   .   .   .   .   3.58   2.41   4.75   parsed_1las   1   
        18   1   .   .   .   .   .   2.93   2.30   3.56   parsed_1las   1   
        19   1   .   .   .   .   .   2.91   2.27   3.55   parsed_1las   1   
        20   1   .   .   .   .   .   3.19   2.17   4.21   parsed_1las   1   
        21   1   .   .   .   .   .   2.50   1.78   3.22   parsed_1las   1   
        22   1   .   .   .   .   .   2.21   1.98   2.45   parsed_1las   1   
        23   1   .   .   .   .   .   3.07   2.13   4.01   parsed_1las   1   
        24   1   .   .   .   .   .   4.04   3.08   5.00   parsed_1las   1   
        25   1   .   .   .   .   .   3.31   2.21   4.41   parsed_1las   1   
        26   1   .   .   .   .   .   3.04   2.17   3.90   parsed_1las   1   
        27   1   .   .   .   .   .   3.10   2.15   4.06   parsed_1las   1   
        28   1   .   .   .   .   .   2.69   1.77   3.61   parsed_1las   1   
        29   1   .   .   .   .   .   3.33   2.21   4.45   parsed_1las   1   
        30   1   .   .   .   .   .   3.50   3.00   4.00   parsed_1las   1   
        31   1   .   .   .   .   .   4.66   3.58   5.74   parsed_1las   1   
        32   1   .   .   .   .   .   3.17   2.27   4.06   parsed_1las   1   
        33   1   .   .   .   .   .   2.36   1.93   2.80   parsed_1las   1   
        34   1   .   .   .   .   .   3.34   2.35   4.34   parsed_1las   1   
        35   1   .   .   .   .   .   2.90   2.10   3.70   parsed_1las   1   
        36   1   .   .   .   .   .   2.90   2.11   3.69   parsed_1las   1   
        37   1   .   .   .   .   .   4.11   2.22   6.00   parsed_1las   1   
        38   1   .   .   .   .   .   2.24   2.04   2.44   parsed_1las   1   
        39   1   .   .   .   .   .   3.94   3.23   4.65   parsed_1las   1   
        40   1   .   .   .   .   .   2.43   2.13   2.73   parsed_1las   1   
        41   1   .   .   .   .   .   2.48   2.15   2.81   parsed_1las   1   
        42   1   .   .   .   .   .   2.50   2.14   2.87   parsed_1las   1   
        43   1   .   .   .   .   .   3.04   2.14   3.94   parsed_1las   1   
        44   1   .   .   .   .   .   4.27   3.54   5.00   parsed_1las   1   
        45   1   .   .   .   .   .   4.12   3.17   5.06   parsed_1las   1   
        46   1   .   .   .   .   .   2.76   1.81   3.71   parsed_1las   1   
        47   1   .   .   .   .   .   3.38   3.00   3.76   parsed_1las   1   
        48   1   .   .   .   .   .   2.61   2.30   2.92   parsed_1las   1   
        49   1   .   .   .   .   .   3.54   2.35   4.73   parsed_1las   1   
        50   1   .   .   .   .   .   2.63   2.10   3.17   parsed_1las   1   
        51   1   .   .   .   .   .   2.92   2.01   3.83   parsed_1las   1   
        52   1   .   .   .   .   .   3.41   2.49   4.33   parsed_1las   1   
        53   1   .   .   .   .   .   3.16   2.42   3.89   parsed_1las   1   
        54   1   .   .   .   .   .   3.06   2.18   3.94   parsed_1las   1   
        55   1   .   .   .   .   .   3.81   2.87   4.75   parsed_1las   1   
        56   1   .   .   .   .   .   3.08   2.17   3.98   parsed_1las   1   
        57   1   .   .   .   .   .   4.07   3.14   5.00   parsed_1las   1   
        58   1   .   .   .   .   .   3.25   2.17   4.33   parsed_1las   1   
        59   1   .   .   .   .   .   2.98   2.08   3.88   parsed_1las   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    ub+1       1   81    1   91   parsed_1las   1   
         2    ub+1.5     2   81    2   91   parsed_1las   1   
         3    ub+1.5     3   81    3   91   parsed_1las   1   
         4    ub+0.3     4   81    4   91   parsed_1las   1   
         5    ub+0.5     5   81    5   91   parsed_1las   1   
         6    ub+1       6   81    6   91   parsed_1las   1   
         7    nc         7   81    7   91   parsed_1las   1   
         8   
;
ub=0.5
assign ( resid   3 and name H1'  )( resid   4 and name H5'' )  3.33  0.86  0.87 ! OFF
;
    8   81    9   93   parsed_1las   1   
         9    ub+1      10   81   10   91   parsed_1las   1   
        10    ub+1      11   81   11   91   parsed_1las   1   
        11    ub+0.5    13   81   13   91   parsed_1las   1   
        12    ub+1.5    15   81   15   91   parsed_1las   1   
        13    nc        16   81   16   91   parsed_1las   1   
        14    ub=5.1    17   81   17   91   parsed_1las   1   
        15    ub=5.8    18   81   18   91   parsed_1las   1   
        16    ub+1.2    19   81   19   91   parsed_1las   1   
        17    ub+4.75   20   81   20   91   parsed_1las   1   
        18    lb=2.3    21   81   21   91   parsed_1las   1   
        19    ub+0.5    22   81   22   91   parsed_1las   1   
        20    ub+1.5    23   81   23   91   parsed_1las   1   
        21    ub+0.5    24   81   24   91   parsed_1las   1   
        22    nc        25   81   25   91   parsed_1las   1   
        23    ub+1.3    26   81   26   91   parsed_1las   1   
        24    ub=5      27   81   27   91   parsed_1las   1   
        25    ub+1      28   81   28   91   parsed_1las   1   
        26    ub+1      29   81   29   91   parsed_1las   1   
        27    ub+1      30   81   30   91   parsed_1las   1   
        28    ub+1      31   81   31   91   parsed_1las   1   
        29    ub+1.5    32   81   32   91   parsed_1las   1   
        30    ub+0.3    33   81   33   91   parsed_1las   1   
        31    ub+0.5    34   81   34   91   parsed_1las   1   
        32    ub+1      35   81   35   91   parsed_1las   1   
        33   
;
ub+0.5
assign ( resid  16 and name H1'  )( resid  17 and name H5'' )  3.28  0.92  0.92 ! OFF
;
   36   81   37   93   parsed_1las   1   
        34    ub+1      38   81   38   91   parsed_1las   1   
        35    ub+1      40   81   40   91   parsed_1las   1   
        36    ub+1      42   81   42   91   parsed_1las   1   
        37    ub=6      43   81   43   91   parsed_1las   1   
        38    nc        44   81   44   91   parsed_1las   1   
        39    ub=0.5    45   81   45   91   parsed_1las   1   
        40    nc        46   81   46   91   parsed_1las   1   
        41    ub+0.3    47   81   47   91   parsed_1las   1   
        42    ub+0.3    48   81   48   91   parsed_1las   1   
        43    ub+1.5    49   81   49   91   parsed_1las   1   
        44    ub=5      50   81   50   91   parsed_1las   1   
        45    ub+0.5    51   81   51   91   parsed_1las   1   
        46    ub+1.1    52   81   52   91   parsed_1las   1   
        47    ub+0.5    53   81   53   91   parsed_1las   1   
        48    lb=2.3    54   81   54   91   parsed_1las   1   
        49    ub+0.5    55   81   55   91   parsed_1las   1   
        50    nc        56   81   56   91   parsed_1las   1   
        51    ub+1      57   81   57   91   parsed_1las   1   
        52    ub+1      58   81   58   91   parsed_1las   1   
        53    ub+0.5    59   81   59   91   parsed_1las   1   
        54    ub+1.2    60   81   60   91   parsed_1las   1   
        55    ub+4.75   61   81   61   91   parsed_1las   1   
        56    ub+1.3    62   81   62   91   parsed_1las   1   
        57    ub=5      63   81   63   91   parsed_1las   1   
        58    ub+1      64   81   64   91   parsed_1las   1   
        59    ub+1      65   81   65   91   parsed_1las   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. Wednesday, May 1, 2024 10:56:09 PM GMT (wattos1)