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
54037 2xbd 4241 cing 2-parsed STAR distance NOE simple 60


data_2xbd_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2xbd 
    _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_2xbd   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2xbd 
    _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   2xbd   "Master copy"    parsed_2xbd   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2xbd 
    _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   2xbd.mr   .   .   "MR format"     1    comment                  "Not applicable"    "Not applicable"      0   parsed_2xbd   1   
        1   2xbd.mr   .   .    XPLOR/CNS      2    distance                  NOE                 simple             687   parsed_2xbd   1   
        1   2xbd.mr   .   .    XPLOR/CNS      3    distance                  NOE                 simple               7   parsed_2xbd   1   
        1   2xbd.mr   .   .    XPLOR/CNS      4    distance                 "hydrogen bond"      simple              52   parsed_2xbd   1   
        1   2xbd.mr   .   .    XPLOR/CNS      5    distance                  NOE                 simple              60   parsed_2xbd   1   
        1   2xbd.mr   .   .    XPLOR/CNS      6    distance                  NOE                 simple               0   parsed_2xbd   1   
        1   2xbd.mr   .   .    XPLOR/CNS      7    distance                  NOE                 ambi                 0   parsed_2xbd   1   
        1   2xbd.mr   .   .    n/a            8    comment                  "Not applicable"    "Not applicable"      0   parsed_2xbd   1   
        1   2xbd.mr   .   .    XPLOR/CNS      9   "dihedral angle"          "Not applicable"    "Not applicable"      0   parsed_2xbd   1   
        1   2xbd.mr   .   .    n/a           10    comment                  "Not applicable"    "Not applicable"      0   parsed_2xbd   1   
        1   2xbd.mr   .   .   "MR format"    11   "nomenclature mapping"    "Not applicable"    "Not applicable"      0   parsed_2xbd   1   
    stop_

save_


save_CNS/XPLOR_distance_constraints_5
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_2xbd 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type     NOE 
    _Distance_constraint_list.Constraint_file_ID  1 
    _Distance_constraint_list.Block_ID            5 
    _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_2xbd   1   
         2   1   .   .   .   parsed_2xbd   1   
         3   1   .   .   .   parsed_2xbd   1   
         4   1   .   .   .   parsed_2xbd   1   
         5   1   .   .   .   parsed_2xbd   1   
         6   1   .   .   .   parsed_2xbd   1   
         7   1   .   .   .   parsed_2xbd   1   
         8   1   .   .   .   parsed_2xbd   1   
         9   1   .   .   .   parsed_2xbd   1   
        10   1   .   .   .   parsed_2xbd   1   
        11   1   .   .   .   parsed_2xbd   1   
        12   1   .   .   .   parsed_2xbd   1   
        13   1   .   .   .   parsed_2xbd   1   
        14   1   .   .   .   parsed_2xbd   1   
        15   1   .   .   .   parsed_2xbd   1   
        16   1   .   .   .   parsed_2xbd   1   
        17   1   .   .   .   parsed_2xbd   1   
        18   1   .   .   .   parsed_2xbd   1   
        19   1   .   .   .   parsed_2xbd   1   
        20   1   .   .   .   parsed_2xbd   1   
        21   1   .   .   .   parsed_2xbd   1   
        22   1   .   .   .   parsed_2xbd   1   
        23   1   .   .   .   parsed_2xbd   1   
        24   1   .   .   .   parsed_2xbd   1   
        25   1   .   .   .   parsed_2xbd   1   
        26   1   .   .   .   parsed_2xbd   1   
        27   1   .   .   .   parsed_2xbd   1   
        28   1   .   .   .   parsed_2xbd   1   
        29   1   .   .   .   parsed_2xbd   1   
        30   1   .   .   .   parsed_2xbd   1   
        31   1   .   .   .   parsed_2xbd   1   
        32   1   .   .   .   parsed_2xbd   1   
        33   1   .   .   .   parsed_2xbd   1   
        34   1   .   .   .   parsed_2xbd   1   
        35   1   .   .   .   parsed_2xbd   1   
        36   1   .   .   .   parsed_2xbd   1   
        37   1   .   .   .   parsed_2xbd   1   
        38   1   .   .   .   parsed_2xbd   1   
        39   1   .   .   .   parsed_2xbd   1   
        40   1   .   .   .   parsed_2xbd   1   
        41   1   .   .   .   parsed_2xbd   1   
        42   1   .   .   .   parsed_2xbd   1   
        43   1   .   .   .   parsed_2xbd   1   
        44   1   .   .   .   parsed_2xbd   1   
        45   1   .   .   .   parsed_2xbd   1   
        46   1   .   .   .   parsed_2xbd   1   
        47   1   .   .   .   parsed_2xbd   1   
        48   1   .   .   .   parsed_2xbd   1   
        49   1   .   .   .   parsed_2xbd   1   
        50   1   .   .   .   parsed_2xbd   1   
        51   1   .   .   .   parsed_2xbd   1   
        52   1   .   .   .   parsed_2xbd   1   
        53   1   .   .   .   parsed_2xbd   1   
        54   1   .   .   .   parsed_2xbd   1   
        55   1   .   .   .   parsed_2xbd   1   
        56   1   .   .   .   parsed_2xbd   1   
        57   1   .   .   .   parsed_2xbd   1   
        58   1   .   .   .   parsed_2xbd   1   
        59   1   .   .   .   parsed_2xbd   1   
        60   1   .   .   .   parsed_2xbd   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   .   .   .   .   .   .   .   .   .   292   .   hn     parsed_2xbd   1   
         1   1   2   .   .   .   .   .   .   .   .   .   291   .   hd1    parsed_2xbd   1   
         2   1   1   .   .   .   .   .   .   .   .   .   267   .   hh     parsed_2xbd   1   
         2   1   2   .   .   .   .   .   .   .   .   .   326   .   ha     parsed_2xbd   1   
         3   1   1   .   .   .   .   .   .   .   .   .   267   .   hh     parsed_2xbd   1   
         3   1   2   .   .   .   .   .   .   .   .   .   326   .   hg+    parsed_2xbd   1   
         4   1   1   .   .   .   .   .   .   .   .   .   267   .   hh     parsed_2xbd   1   
         4   1   2   .   .   .   .   .   .   .   .   .   326   .   hb+    parsed_2xbd   1   
         5   1   1   .   .   .   .   .   .   .   .   .   258   .   hn     parsed_2xbd   1   
         5   1   2   .   .   .   .   .   .   .   .   .   258   .   ha     parsed_2xbd   1   
         6   1   1   .   .   .   .   .   .   .   .   .   275   .   hz2    parsed_2xbd   1   
         6   1   2   .   .   .   .   .   .   .   .   .   306   .   hb1    parsed_2xbd   1   
         7   1   1   .   .   .   .   .   .   .   .   .   259   .   hz2    parsed_2xbd   1   
         7   1   2   .   .   .   .   .   .   .   .   .   257   .   hg+    parsed_2xbd   1   
         8   1   1   .   .   .   .   .   .   .   .   .   259   .   hz2    parsed_2xbd   1   
         8   1   2   .   .   .   .   .   .   .   .   .   257   .   hb1    parsed_2xbd   1   
         9   1   1   .   .   .   .   .   .   .   .   .   267   .   he+    parsed_2xbd   1   
         9   1   2   .   .   .   .   .   .   .   .   .   267   .   ha     parsed_2xbd   1   
        10   1   1   .   .   .   .   .   .   .   .   .   267   .   he+    parsed_2xbd   1   
        10   1   2   .   .   .   .   .   .   .   .   .   326   .   hb+    parsed_2xbd   1   
        11   1   1   .   .   .   .   .   .   .   .   .   267   .   he+    parsed_2xbd   1   
        11   1   2   .   .   .   .   .   .   .   .   .   253   .   hb+    parsed_2xbd   1   
        12   1   1   .   .   .   .   .   .   .   .   .   267   .   hd+    parsed_2xbd   1   
        12   1   2   .   .   .   .   .   .   .   .   .   267   .   ha     parsed_2xbd   1   
        13   1   1   .   .   .   .   .   .   .   .   .   267   .   hd+    parsed_2xbd   1   
        13   1   2   .   .   .   .   .   .   .   .   .   266   .   ha     parsed_2xbd   1   
        14   1   1   .   .   .   .   .   .   .   .   .   313   .   hz     parsed_2xbd   1   
        14   1   2   .   .   .   .   .   .   .   .   .   304   .   hg2+   parsed_2xbd   1   
        15   1   1   .   .   .   .   .   .   .   .   .   250   .   ha     parsed_2xbd   1   
        15   1   2   .   .   .   .   .   .   .   .   .   330   .   hb+    parsed_2xbd   1   
        16   1   1   .   .   .   .   .   .   .   .   .   265   .   ha     parsed_2xbd   1   
        16   1   2   .   .   .   .   .   .   .   .   .   255   .   ha     parsed_2xbd   1   
        17   1   1   .   .   .   .   .   .   .   .   .   305   .   ha     parsed_2xbd   1   
        17   1   2   .   .   .   .   .   .   .   .   .   306   .   hd+    parsed_2xbd   1   
        18   1   1   .   .   .   .   .   .   .   .   .   268   .   ha     parsed_2xbd   1   
        18   1   2   .   .   .   .   .   .   .   .   .   312   .   hg2+   parsed_2xbd   1   
        19   1   1   .   .   .   .   .   .   .   .   .   315   .   ha     parsed_2xbd   1   
        19   1   2   .   .   .   .   .   .   .   .   .   315   .   hb     parsed_2xbd   1   
        20   1   1   .   .   .   .   .   .   .   .   .   326   .   ha     parsed_2xbd   1   
        20   1   2   .   .   .   .   .   .   .   .   .   327   .   hb+    parsed_2xbd   1   
        21   1   1   .   .   .   .   .   .   .   .   .   326   .   ha     parsed_2xbd   1   
        21   1   2   .   .   .   .   .   .   .   .   .   326   .   hb+    parsed_2xbd   1   
        22   1   1   .   .   .   .   .   .   .   .   .   326   .   ha     parsed_2xbd   1   
        22   1   2   .   .   .   .   .   .   .   .   .   326   .   hg+    parsed_2xbd   1   
        23   1   1   .   .   .   .   .   .   .   .   .   255   .   ha     parsed_2xbd   1   
        23   1   2   .   .   .   .   .   .   .   .   .   256   .   hb+    parsed_2xbd   1   
        24   1   1   .   .   .   .   .   .   .   .   .   255   .   ha     parsed_2xbd   1   
        24   1   2   .   .   .   .   .   .   .   .   .   255   .   hg+    parsed_2xbd   1   
        25   1   1   .   .   .   .   .   .   .   .   .   255   .   ha     parsed_2xbd   1   
        25   1   2   .   .   .   .   .   .   .   .   .   255   .   hb1    parsed_2xbd   1   
        26   1   1   .   .   .   .   .   .   .   .   .   325   .   ha     parsed_2xbd   1   
        26   1   2   .   .   .   .   .   .   .   .   .   265   .   hg2+   parsed_2xbd   1   
        27   1   1   .   .   .   .   .   .   .   .   .   316   .   hb     parsed_2xbd   1   
        27   1   2   .   .   .   .   .   .   .   .   .   289   .   hb+    parsed_2xbd   1   
        28   1   1   .   .   .   .   .   .   .   .   .   326   .   hd2    parsed_2xbd   1   
        28   1   2   .   .   .   .   .   .   .   .   .   265   .   hg1+   parsed_2xbd   1   
        29   1   1   .   .   .   .   .   .   .   .   .   326   .   hd2    parsed_2xbd   1   
        29   1   2   .   .   .   .   .   .   .   .   .   317   .   hg2+   parsed_2xbd   1   
        30   1   1   .   .   .   .   .   .   .   .   .   326   .   hd2    parsed_2xbd   1   
        30   1   2   .   .   .   .   .   .   .   .   .   265   .   hg2+   parsed_2xbd   1   
        31   1   1   .   .   .   .   .   .   .   .   .   326   .   hd2    parsed_2xbd   1   
        31   1   2   .   .   .   .   .   .   .   .   .   326   .   hb+    parsed_2xbd   1   
        32   1   1   .   .   .   .   .   .   .   .   .   257   .   ha     parsed_2xbd   1   
        32   1   2   .   .   .   .   .   .   .   .   .   257   .   hg+    parsed_2xbd   1   
        33   1   1   .   .   .   .   .   .   .   .   .   330   .   hb+    parsed_2xbd   1   
        33   1   2   .   .   .   .   .   .   .   .   .   249   .   hb1    parsed_2xbd   1   
        34   1   1   .   .   .   .   .   .   .   .   .   284   .   hb+    parsed_2xbd   1   
        34   1   2   .   .   .   .   .   .   .   .   .   320   .   hb1    parsed_2xbd   1   
        35   1   1   .   .   .   .   .   .   .   .   .   285   .   hb1    parsed_2xbd   1   
        35   1   2   .   .   .   .   .   .   .   .   .   285   .   hg+    parsed_2xbd   1   
        36   1   1   .   .   .   .   .   .   .   .   .   255   .   hd+    parsed_2xbd   1   
        36   1   2   .   .   .   .   .   .   .   .   .   265   .   hg1+   parsed_2xbd   1   
        37   1   1   .   .   .   .   .   .   .   .   .   255   .   hd+    parsed_2xbd   1   
        37   1   2   .   .   .   .   .   .   .   .   .   265   .   hg2+   parsed_2xbd   1   
        38   1   1   .   .   .   .   .   .   .   .   .   251   .   hg2+   parsed_2xbd   1   
        38   1   2   .   .   .   .   .   .   .   .   .   328   .   hb+    parsed_2xbd   1   
        39   1   1   .   .   .   .   .   .   .   .   .   262   .   ha     parsed_2xbd   1   
        39   1   2   .   .   .   .   .   .   .   .   .   262   .   hb1    parsed_2xbd   1   
        40   1   1   .   .   .   .   .   .   .   .   .   287   .   hg2+   parsed_2xbd   1   
        40   1   2   .   .   .   .   .   .   .   .   .   287   .   hg1+   parsed_2xbd   1   
        41   1   1   .   .   .   .   .   .   .   .   .   265   .   hg2+   parsed_2xbd   1   
        41   1   2   .   .   .   .   .   .   .   .   .   325   .   hg2+   parsed_2xbd   1   
        42   1   1   .   .   .   .   .   .   .   .   .   267   .   hh     parsed_2xbd   1   
        42   1   2   .   .   .   .   .   .   .   .   .   326   .   hd2    parsed_2xbd   1   
        43   1   1   .   .   .   .   .   .   .   .   .   275   .   hd1    parsed_2xbd   1   
        43   1   2   .   .   .   .   .   .   .   .   .   273   .   ha     parsed_2xbd   1   
        44   1   1   .   .   .   .   .   .   .   .   .   287   .   ha     parsed_2xbd   1   
        44   1   2   .   .   .   .   .   .   .   .   .   316   .   hg2+   parsed_2xbd   1   
        45   1   1   .   .   .   .   .   .   .   .   .   275   .   he1    parsed_2xbd   1   
        45   1   2   .   .   .   .   .   .   .   .   .   273   .   ha     parsed_2xbd   1   
        46   1   1   .   .   .   .   .   .   .   .   .   274   .   hn     parsed_2xbd   1   
        46   1   2   .   .   .   .   .   .   .   .   .   272   .   ha     parsed_2xbd   1   
        47   1   1   .   .   .   .   .   .   .   .   .   267   .   he+    parsed_2xbd   1   
        47   1   2   .   .   .   .   .   .   .   .   .   325   .   hg2+   parsed_2xbd   1   
        48   1   1   .   .   .   .   .   .   .   .   .   277   .   hg++   parsed_2xbd   1   
        48   1   2   .   .   .   .   .   .   .   .   .   275   .   hb2    parsed_2xbd   1   
        49   1   1   .   .   .   .   .   .   .   .   .   265   .   hg1+   parsed_2xbd   1   
        49   1   2   .   .   .   .   .   .   .   .   .   253   .   hb+    parsed_2xbd   1   
        50   1   1   .   .   .   .   .   .   .   .   .   254   .   hn     parsed_2xbd   1   
        50   1   2   .   .   .   .   .   .   .   .   .   254   .   ha     parsed_2xbd   1   
        51   1   1   .   .   .   .   .   .   .   .   .   272   .   hn     parsed_2xbd   1   
        51   1   2   .   .   .   .   .   .   .   .   .   249   .   hb1    parsed_2xbd   1   
        52   1   1   .   .   .   .   .   .   .   .   .   285   .   hn     parsed_2xbd   1   
        52   1   2   .   .   .   .   .   .   .   .   .   320   .   hb2    parsed_2xbd   1   
        53   1   1   .   .   .   .   .   .   .   .   .   286   .   hn     parsed_2xbd   1   
        53   1   2   .   .   .   .   .   .   .   .   .   317   .   ha     parsed_2xbd   1   
        54   1   1   .   .   .   .   .   .   .   .   .   289   .   hn     parsed_2xbd   1   
        54   1   2   .   .   .   .   .   .   .   .   .   288   .   hg+    parsed_2xbd   1   
        55   1   1   .   .   .   .   .   .   .   .   .   302   .   hn     parsed_2xbd   1   
        55   1   2   .   .   .   .   .   .   .   .   .   279   .   hb1    parsed_2xbd   1   
        56   1   1   .   .   .   .   .   .   .   .   .   305   .   hn     parsed_2xbd   1   
        56   1   2   .   .   .   .   .   .   .   .   .   293   .   ha     parsed_2xbd   1   
        57   1   1   .   .   .   .   .   .   .   .   .   317   .   hn     parsed_2xbd   1   
        57   1   2   .   .   .   .   .   .   .   .   .   262   .   hb2    parsed_2xbd   1   
        58   1   1   .   .   .   .   .   .   .   .   .   323   .   hn     parsed_2xbd   1   
        58   1   2   .   .   .   .   .   .   .   .   .   323   .   ha     parsed_2xbd   1   
        59   1   1   .   .   .   .   .   .   .   .   .   324   .   hn     parsed_2xbd   1   
        59   1   2   .   .   .   .   .   .   .   .   .   323   .   ha     parsed_2xbd   1   
        60   1   1   .   .   .   .   .   .   .   .   .   331   .   hn     parsed_2xbd   1   
        60   1   2   .   .   .   .   .   .   .   .   .   277   .   hg++   parsed_2xbd   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   .   .   .   .   .   4.97   1.90   4.97   parsed_2xbd   1   
         2   1   .   .   .   .   .   5.50   1.90   5.50   parsed_2xbd   1   
         3   1   .   .   .   .   .   5.50   1.90   5.50   parsed_2xbd   1   
         4   1   .   .   .   .   .   2.50   1.90   2.50   parsed_2xbd   1   
         5   1   .   .   .   .   .   4.97   1.90   4.97   parsed_2xbd   1   
         6   1   .   .   .   .   .   3.70   1.90   3.70   parsed_2xbd   1   
         7   1   .   .   .   .   .   5.50   1.90   5.50   parsed_2xbd   1   
         8   1   .   .   .   .   .   5.50   1.90   5.50   parsed_2xbd   1   
         9   1   .   .   .   .   .   4.97   1.90   4.97   parsed_2xbd   1   
        10   1   .   .   .   .   .   4.97   1.90   4.97   parsed_2xbd   1   
        11   1   .   .   .   .   .   2.50   1.90   2.50   parsed_2xbd   1   
        12   1   .   .   .   .   .   3.70   1.90   3.70   parsed_2xbd   1   
        13   1   .   .   .   .   .   5.50   1.90   5.50   parsed_2xbd   1   
        14   1   .   .   .   .   .   4.08   1.90   4.08   parsed_2xbd   1   
        15   1   .   .   .   .   .   5.50   1.90   5.50   parsed_2xbd   1   
        16   1   .   .   .   .   .   4.97   1.90   4.97   parsed_2xbd   1   
        17   1   .   .   .   .   .   3.35   1.90   3.35   parsed_2xbd   1   
        18   1   .   .   .   .   .   3.35   1.90   3.35   parsed_2xbd   1   
        19   1   .   .   .   .   .   3.35   1.90   3.35   parsed_2xbd   1   
        20   1   .   .   .   .   .   4.97   1.90   4.97   parsed_2xbd   1   
        21   1   .   .   .   .   .   3.04   1.90   3.04   parsed_2xbd   1   
        22   1   .   .   .   .   .   5.50   1.90   5.50   parsed_2xbd   1   
        23   1   .   .   .   .   .   4.97   1.90   4.97   parsed_2xbd   1   
        24   1   .   .   .   .   .   4.51   1.90   4.51   parsed_2xbd   1   
        25   1   .   .   .   .   .   4.51   1.90   4.51   parsed_2xbd   1   
        26   1   .   .   .   .   .   4.97   1.90   4.97   parsed_2xbd   1   
        27   1   .   .   .   .   .   3.04   1.90   3.04   parsed_2xbd   1   
        28   1   .   .   .   .   .   4.97   1.90   4.97   parsed_2xbd   1   
        29   1   .   .   .   .   .   4.08   1.90   4.08   parsed_2xbd   1   
        30   1   .   .   .   .   .   3.70   1.90   3.70   parsed_2xbd   1   
        31   1   .   .   .   .   .   4.97   1.90   4.97   parsed_2xbd   1   
        32   1   .   .   .   .   .   3.35   1.90   3.35   parsed_2xbd   1   
        33   1   .   .   .   .   .   5.50   1.90   5.50   parsed_2xbd   1   
        34   1   .   .   .   .   .   4.51   1.90   4.51   parsed_2xbd   1   
        35   1   .   .   .   .   .   4.51   1.90   4.51   parsed_2xbd   1   
        36   1   .   .   .   .   .   5.50   1.90   5.50   parsed_2xbd   1   
        37   1   .   .   .   .   .   4.08   1.90   4.08   parsed_2xbd   1   
        38   1   .   .   .   .   .   2.50   1.90   2.50   parsed_2xbd   1   
        39   1   .   .   .   .   .   3.35   1.90   3.35   parsed_2xbd   1   
        40   1   .   .   .   .   .   3.35   1.90   3.35   parsed_2xbd   1   
        41   1   .   .   .   .   .   2.75   1.90   2.75   parsed_2xbd   1   
        42   1   .   .   .   .   .   3.04   1.90   3.04   parsed_2xbd   1   
        43   1   .   .   .   .   .   2.50   1.90   2.50   parsed_2xbd   1   
        44   1   .   .   .   .   .   5.50   1.90   5.50   parsed_2xbd   1   
        45   1   .   .   .   .   .   4.08   1.90   4.08   parsed_2xbd   1   
        46   1   .   .   .   .   .   5.50   1.90   5.50   parsed_2xbd   1   
        47   1   .   .   .   .   .   3.70   1.90   3.70   parsed_2xbd   1   
        48   1   .   .   .   .   .   4.51   1.90   4.51   parsed_2xbd   1   
        49   1   .   .   .   .   .   2.50   1.90   2.50   parsed_2xbd   1   
        50   1   .   .   .   .   .   4.08   1.90   4.08   parsed_2xbd   1   
        51   1   .   .   .   .   .   5.50   1.90   5.50   parsed_2xbd   1   
        52   1   .   .   .   .   .   5.50   1.90   5.50   parsed_2xbd   1   
        53   1   .   .   .   .   .   5.50   1.90   5.50   parsed_2xbd   1   
        54   1   .   .   .   .   .   5.50   1.90   5.50   parsed_2xbd   1   
        55   1   .   .   .   .   .   5.50   1.90   5.50   parsed_2xbd   1   
        56   1   .   .   .   .   .   5.50   1.90   5.50   parsed_2xbd   1   
        57   1   .   .   .   .   .   5.50   1.90   5.50   parsed_2xbd   1   
        58   1   .   .   .   .   .   5.50   1.90   5.50   parsed_2xbd   1   
        59   1   .   .   .   .   .   4.97   1.90   4.97   parsed_2xbd   1   
        60   1   .   .   .   .   .   4.51   1.90   4.51   parsed_2xbd   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   
;
Constraints found after 05mar98 run added below by appending file xbd_m_c_t_a_3
onto end of this
;
                   1    1     4    2   parsed_2xbd   1   
         2                 3     6   55     6   70   parsed_2xbd   1   
         3                 2     9   55     9   70   parsed_2xbd   1   
         4                 2    12   55    12   70   parsed_2xbd   1   
         5                10    15   55    15   70   parsed_2xbd   1   
         6                 3    18   55    18   70   parsed_2xbd   1   
         7                 6    21   55    21   70   parsed_2xbd   1   
         8                 1    24   55    24   70   parsed_2xbd   1   
         9                 2    27   55    27   70   parsed_2xbd   1   
        10                 3    30   55    30   70   parsed_2xbd   1   
        11                 3    33   55    33   70   parsed_2xbd   1   
        12                10    36   55    36   70   parsed_2xbd   1   
        13                 6    39   55    39   70   parsed_2xbd   1   
        14                 2    42   55    42   70   parsed_2xbd   1   
        15                 5    45   55    45   70   parsed_2xbd   1   
        16                 2    48   55    48   70   parsed_2xbd   1   
        17                 3    51   55    51   70   parsed_2xbd   1   
        18   
;
7     !303K!
Next con made ambig 06jul98...
assign (resid 292 and name   ha )
(resid 309 and name  hb+ )      3.70 1.80 0.00 !  6
;
                  54   55    58   71   parsed_2xbd   1   
        19   
;
7
Next con made ambig 05jul98...
assign (resid 279 and name   ha )
(resid 328 and name  hb+ )      4.51 2.61 0.00 !  4
Next con made ambig 14jul98...
assign (resid 286 and name   ha )
(resid 281 and name hd++ )      3.70 1.80 0.00 !  6
;
                  61   55    69   71   parsed_2xbd   1   
        20   "7     !303K!"                   72   55    72   70   parsed_2xbd   1   
        21                 3    75   55    75   70   parsed_2xbd   1   
        22                 8    78   55    78   70   parsed_2xbd   1   
        23                 2    81   55    81   70   parsed_2xbd   1   
        24                 3    84   55    84   70   parsed_2xbd   1   
        25                 4    87   55    87   70   parsed_2xbd   1   
        26                 4    90   55    90   70   parsed_2xbd   1   
        27                 3    93   55    93   70   parsed_2xbd   1   
        28                 8    96   55    96   70   parsed_2xbd   1   
        29                 3    99   55    99   70   parsed_2xbd   1   
        30                 5   102   55   102   70   parsed_2xbd   1   
        31                 6   105   55   105   70   parsed_2xbd   1   
        32                 3   108   55   108   70   parsed_2xbd   1   
        33                 7   111   55   111   70   parsed_2xbd   1   
        34                 2   114   55   114   70   parsed_2xbd   1   
        35                 4   117   55   117   70   parsed_2xbd   1   
        36                 4   120   55   120   70   parsed_2xbd   1   
        37                 2   123   55   123   70   parsed_2xbd   1   
        38                 5   126   55   126   70   parsed_2xbd   1   
        39                10   129   55   129   70   parsed_2xbd   1   
        40                 7   132   55   132   70   parsed_2xbd   1   
        41                 7   135   55   135   70   parsed_2xbd   1   
        42                 9   138   55   138   70   parsed_2xbd   1   
        43                 8   141   55   141   70   parsed_2xbd   1   
        44                10   144   55   144   70   parsed_2xbd   1   
        45                 1   147   55   147   70   parsed_2xbd   1   
        46                 5   150   55   150   70   parsed_2xbd   1   
        47   
;
1
More constraints from 18mar98 run resolving ambiguities added
manually below...
;
                 153   55   156   20   parsed_2xbd   1   
        48                 6   159   55   159   59   parsed_2xbd   1   
        49                 4   162   55   162   59   parsed_2xbd   1   
        50                10   165   55   165   59   parsed_2xbd   1   
        51                 5   168   55   168   59   parsed_2xbd   1   
        52   
;
2
Next con made ambig 03jul98...
assign (resid 285 and name   hn )
(resid 283 and name  ha+ )      4.51 2.61 0.00 !  4
;
                 171   55   175   60   parsed_2xbd   1   
        53                 1   178   55   178   59   parsed_2xbd   1   
        54                 1   181   55   181   59   parsed_2xbd   1   
        55   
;
1
Next con made ambig 03jul98...
assign (resid 289 and name   hn )
(resid 287 and name   hb )      4.08 2.18 0.00 !  5
;
                 184   55   188   60   parsed_2xbd   1   
        56                 2   191   55   191   59   parsed_2xbd   1   
        57                 2   194   55   194   59   parsed_2xbd   1   
        58                 1   197   55   197   59   parsed_2xbd   1   
        59                 2   200   55   200   59   parsed_2xbd   1   
        60                 3   203   55   203   59   parsed_2xbd   1   
        61                 4   206   55   207    2   parsed_2xbd   1   
    stop_

save_





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