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
35271 1lai cing 2-parsed STAR distance NOE ambi 52


data_1lai_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1lai 
    _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_1lai   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1lai 
    _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   1lai   "Master copy"    parsed_1lai   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1lai 
    _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   1lai.mr   .   .   "MR format"     1    comment                  "Not applicable"    "Not applicable"      0   parsed_1lai   1   
        1   1lai.mr   .   .    n/a            2    comment                  "Not applicable"    "Not applicable"      0   parsed_1lai   1   
        1   1lai.mr   .   .    XPLOR/CNS      3    distance                  NOE                 ambi               191   parsed_1lai   1   
        1   1lai.mr   .   .    n/a            4    comment                  "Not applicable"    "Not applicable"      0   parsed_1lai   1   
        1   1lai.mr   .   .    XPLOR/CNS      5    distance                  NOE                 ambi               153   parsed_1lai   1   
        1   1lai.mr   .   .    n/a            6    comment                  "Not applicable"    "Not applicable"      0   parsed_1lai   1   
        1   1lai.mr   .   .    XPLOR/CNS      7    distance                  NOE                 ambi               138   parsed_1lai   1   
        1   1lai.mr   .   .    n/a            8    comment                  "Not applicable"    "Not applicable"      0   parsed_1lai   1   
        1   1lai.mr   .   .    XPLOR/CNS      9    distance                  NOE                 ambi                52   parsed_1lai   1   
        1   1lai.mr   .   .    n/a           10    comment                  "Not applicable"    "Not applicable"      0   parsed_1lai   1   
        1   1lai.mr   .   .    XPLOR/CNS     11    distance                  NOE                 ambi                 0   parsed_1lai   1   
        1   1lai.mr   .   .    n/a           12    comment                  "Not applicable"    "Not applicable"      0   parsed_1lai   1   
        1   1lai.mr   .   .    XPLOR/CNS     13    distance                 "hydrogen bond"      simple               0   parsed_1lai   1   
        1   1lai.mr   .   .    n/a           14    comment                  "Not applicable"    "Not applicable"      0   parsed_1lai   1   
        1   1lai.mr   .   .    XPLOR/CNS     15   "dihedral angle"          "Not applicable"    "Not applicable"      0   parsed_1lai   1   
        1   1lai.mr   .   .    n/a           16    comment                  "Not applicable"    "Not applicable"      0   parsed_1lai   1   
        1   1lai.mr   .   .    XPLOR/CNS     17   "dihedral angle"          "Not applicable"    "Not applicable"      0   parsed_1lai   1   
        1   1lai.mr   .   .    n/a           18    comment                  "Not applicable"    "Not applicable"      0   parsed_1lai   1   
        1   1lai.mr   .   .    XPLOR/CNS     19   "dihedral angle"          "Not applicable"    "Not applicable"      0   parsed_1lai   1   
        1   1lai.mr   .   .    n/a           20    comment                  "Not applicable"    "Not applicable"      0   parsed_1lai   1   
        1   1lai.mr   .   .   "MR format"    21   "nomenclature mapping"    "Not applicable"    "Not applicable"      0   parsed_1lai   1   
    stop_

save_


save_CNS/XPLOR_distance_constraints_9
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_1lai 
    _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_1lai   1   
         2   1   .   .   .   parsed_1lai   1   
         3   1   .   .   .   parsed_1lai   1   
         4   1   .   .   .   parsed_1lai   1   
         5   1   .   .   .   parsed_1lai   1   
         6   1   .   .   .   parsed_1lai   1   
         7   1   .   .   .   parsed_1lai   1   
         8   1   .   .   .   parsed_1lai   1   
         9   1   .   .   .   parsed_1lai   1   
        10   1   .   .   .   parsed_1lai   1   
        11   1   .   .   .   parsed_1lai   1   
        12   1   .   .   .   parsed_1lai   1   
        13   1   .   .   .   parsed_1lai   1   
        14   1   .   .   .   parsed_1lai   1   
        15   1   .   .   .   parsed_1lai   1   
        16   1   .   .   .   parsed_1lai   1   
        17   1   .   .   .   parsed_1lai   1   
        18   1   .   .   .   parsed_1lai   1   
        19   1   .   .   .   parsed_1lai   1   
        20   1   .   .   .   parsed_1lai   1   
        21   1   .   .   .   parsed_1lai   1   
        22   1   .   .   .   parsed_1lai   1   
        23   1   .   .   .   parsed_1lai   1   
        24   1   .   .   .   parsed_1lai   1   
        25   1   .   .   .   parsed_1lai   1   
        26   1   .   .   .   parsed_1lai   1   
        27   1   .   .   .   parsed_1lai   1   
        28   1   .   .   .   parsed_1lai   1   
        29   1   .   .   .   parsed_1lai   1   
        30   1   .   .   .   parsed_1lai   1   
        31   1   .   .   .   parsed_1lai   1   
        32   1   .   .   .   parsed_1lai   1   
        33   1   .   .   .   parsed_1lai   1   
        34   1   .   .   .   parsed_1lai   1   
        35   1   .   .   .   parsed_1lai   1   
        36   1   .   .   .   parsed_1lai   1   
        37   1   .   .   .   parsed_1lai   1   
        38   1   .   .   .   parsed_1lai   1   
        39   1   .   .   .   parsed_1lai   1   
        40   1   .   .   .   parsed_1lai   1   
        41   1   .   .   .   parsed_1lai   1   
        42   1   .   .   .   parsed_1lai   1   
        43   1   .   .   .   parsed_1lai   1   
        44   1   .   .   .   parsed_1lai   1   
        45   1   .   .   .   parsed_1lai   1   
        46   1   .   .   .   parsed_1lai   1   
        47   1   .   .   .   parsed_1lai   1   
        48   1   .   .   .   parsed_1lai   1   
        49   1   .   .   .   parsed_1lai   1   
        50   1   .   .   .   parsed_1lai   1   
        51   1   .   .   .   parsed_1lai   1   
        52   1   .   .   .   parsed_1lai   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   .   .   .   .   .   .   .   .   .    2   .   H8     parsed_1lai   1   
         1   1   2   .   .   .   .   .   .   .   .   .    2   .   H2''   parsed_1lai   1   
         2   1   1   .   .   .   .   .   .   .   .   .    2   .   H1'    parsed_1lai   1   
         2   1   2   .   .   .   .   .   .   .   .   .    3   .   H4'    parsed_1lai   1   
         3   1   1   .   .   .   .   .   .   .   .   .    3   .   H6     parsed_1lai   1   
         3   1   2   .   .   .   .   .   .   .   .   .    3   .   H2'    parsed_1lai   1   
         4   1   1   .   .   .   .   .   .   .   .   .    3   .   H1'    parsed_1lai   1   
         4   1   2   .   .   .   .   .   .   .   .   .    3   .   H4'    parsed_1lai   1   
         5   1   1   .   .   .   .   .   .   .   .   .    5   .   H8     parsed_1lai   1   
         5   1   2   .   .   .   .   .   .   .   .   .    5   .   H1'    parsed_1lai   1   
         6   1   1   .   .   .   .   .   .   .   .   .    5   .   H8     parsed_1lai   1   
         6   1   2   .   .   .   .   .   .   .   .   .    4   .   H8     parsed_1lai   1   
         7   1   1   .   .   .   .   .   .   .   .   .    5   .   H5'    parsed_1lai   1   
         7   1   1   .   .   .   .   .   .   .   .   .    5   .   H5''   parsed_1lai   1   
         7   1   2   .   .   .   .   .   .   .   .   .    5   .   H1'    parsed_1lai   1   
         8   1   1   .   .   .   .   .   .   .   .   .    5   .   H5'    parsed_1lai   1   
         8   1   1   .   .   .   .   .   .   .   .   .    5   .   H5''   parsed_1lai   1   
         8   1   2   .   .   .   .   .   .   .   .   .    5   .   H3'    parsed_1lai   1   
         9   1   1   .   .   .   .   .   .   .   .   .    6   .   H1'    parsed_1lai   1   
         9   1   2   .   .   .   .   .   .   .   .   .    6   .   H4'    parsed_1lai   1   
        10   1   1   .   .   .   .   .   .   .   .   .    7   .   H1'    parsed_1lai   1   
        10   1   2   .   .   .   .   .   .   .   .   .    7   .   H2'    parsed_1lai   1   
        11   1   1   .   .   .   .   .   .   .   .   .    7   .   H1'    parsed_1lai   1   
        11   1   2   .   .   .   .   .   .   .   .   .    8   .   H4'    parsed_1lai   1   
        12   1   1   .   .   .   .   .   .   .   .   .    8   .   H6     parsed_1lai   1   
        12   1   2   .   .   .   .   .   .   .   .   .    7   .   H2'    parsed_1lai   1   
        13   1   1   .   .   .   .   .   .   .   .   .    8   .   H3'    parsed_1lai   1   
        13   1   2   .   .   .   .   .   .   .   .   .    8   .   H4'    parsed_1lai   1   
        14   1   1   .   .   .   .   .   .   .   .   .    9   .   H5     parsed_1lai   1   
        14   1   2   .   .   .   .   .   .   .   .   .    8   .   H2''   parsed_1lai   1   
        15   1   1   .   .   .   .   .   .   .   .   .    9   .   H6     parsed_1lai   1   
        15   1   2   .   .   .   .   .   .   .   .   .    9   .   H3'    parsed_1lai   1   
        16   1   1   .   .   .   .   .   .   .   .   .    9   .   H2'    parsed_1lai   1   
        16   1   2   .   .   .   .   .   .   .   .   .    9   .   H5     parsed_1lai   1   
        17   1   1   .   .   .   .   .   .   .   .   .    9   .   H2''   parsed_1lai   1   
        17   1   2   .   .   .   .   .   .   .   .   .    9   .   H5     parsed_1lai   1   
        18   1   1   .   .   .   .   .   .   .   .   .   10   .   H5     parsed_1lai   1   
        18   1   2   .   .   .   .   .   .   .   .   .    9   .   H2'    parsed_1lai   1   
        19   1   1   .   .   .   .   .   .   .   .   .   10   .   H5     parsed_1lai   1   
        19   1   2   .   .   .   .   .   .   .   .   .    9   .   H2''   parsed_1lai   1   
        20   1   1   .   .   .   .   .   .   .   .   .   10   .   H6     parsed_1lai   1   
        20   1   2   .   .   .   .   .   .   .   .   .   10   .   H3'    parsed_1lai   1   
        21   1   1   .   .   .   .   .   .   .   .   .   10   .   H2''   parsed_1lai   1   
        21   1   2   .   .   .   .   .   .   .   .   .   10   .   H5     parsed_1lai   1   
        22   1   1   .   .   .   .   .   .   .   .   .   10   .   H6     parsed_1lai   1   
        22   1   2   .   .   .   .   .   .   .   .   .    9   .   H6     parsed_1lai   1   
        23   1   1   .   .   .   .   .   .   .   .   .   10   .   H5'    parsed_1lai   1   
        23   1   1   .   .   .   .   .   .   .   .   .   10   .   H5''   parsed_1lai   1   
        23   1   2   .   .   .   .   .   .   .   .   .   10   .   H6     parsed_1lai   1   
        24   1   1   .   .   .   .   .   .   .   .   .   11   .   H8     parsed_1lai   1   
        24   1   2   .   .   .   .   .   .   .   .   .   11   .   H2'    parsed_1lai   1   
        25   1   1   .   .   .   .   .   .   .   .   .   11   .   H8     parsed_1lai   1   
        25   1   2   .   .   .   .   .   .   .   .   .   11   .   H2''   parsed_1lai   1   
        26   1   1   .   .   .   .   .   .   .   .   .   11   .   H1'    parsed_1lai   1   
        26   1   2   .   .   .   .   .   .   .   .   .   12   .   H4'    parsed_1lai   1   
        27   1   1   .   .   .   .   .   .   .   .   .   12   .   H1'    parsed_1lai   1   
        27   1   2   .   .   .   .   .   .   .   .   .   12   .   H4'    parsed_1lai   1   
        28   1   1   .   .   .   .   .   .   .   .   .   13   .   H8     parsed_1lai   1   
        28   1   2   .   .   .   .   .   .   .   .   .   13   .   H2'    parsed_1lai   1   
        29   1   1   .   .   .   .   .   .   .   .   .   13   .   H1'    parsed_1lai   1   
        29   1   2   .   .   .   .   .   .   .   .   .   13   .   H4'    parsed_1lai   1   
        30   1   1   .   .   .   .   .   .   .   .   .   13   .   H5'    parsed_1lai   1   
        30   1   1   .   .   .   .   .   .   .   .   .   13   .   H5''   parsed_1lai   1   
        30   1   2   .   .   .   .   .   .   .   .   .   13   .   H1'    parsed_1lai   1   
        31   1   1   .   .   .   .   .   .   .   .   .   15   .   H8     parsed_1lai   1   
        31   1   2   .   .   .   .   .   .   .   .   .   15   .   H2''   parsed_1lai   1   
        32   1   1   .   .   .   .   .   .   .   .   .   15   .   H1'    parsed_1lai   1   
        32   1   2   .   .   .   .   .   .   .   .   .   16   .   H4'    parsed_1lai   1   
        33   1   1   .   .   .   .   .   .   .   .   .   16   .   H6     parsed_1lai   1   
        33   1   2   .   .   .   .   .   .   .   .   .   16   .   H2'    parsed_1lai   1   
        34   1   1   .   .   .   .   .   .   .   .   .   17   .   H3'    parsed_1lai   1   
        34   1   2   .   .   .   .   .   .   .   .   .   17   .   H4'    parsed_1lai   1   
        35   1   1   .   .   .   .   .   .   .   .   .   17   .   H8     parsed_1lai   1   
        35   1   2   .   .   .   .   .   .   .   .   .   17   .   H5'    parsed_1lai   1   
        36   1   1   .   .   .   .   .   .   .   .   .   18   .   H8     parsed_1lai   1   
        36   1   2   .   .   .   .   .   .   .   .   .   17   .   H8     parsed_1lai   1   
        37   1   1   .   .   .   .   .   .   .   .   .   20   .   H5'    parsed_1lai   1   
        37   1   1   .   .   .   .   .   .   .   .   .   20   .   H5''   parsed_1lai   1   
        37   1   2   .   .   .   .   .   .   .   .   .   20   .   H6     parsed_1lai   1   
        38   1   1   .   .   .   .   .   .   .   .   .   21   .   H2     parsed_1lai   1   
        38   1   2   .   .   .   .   .   .   .   .   .    7   .   H1'    parsed_1lai   1   
        39   1   1   .   .   .   .   .   .   .   .   .   22   .   H6     parsed_1lai   1   
        39   1   2   .   .   .   .   .   .   .   .   .   22   .   H4'    parsed_1lai   1   
        40   1   1   .   .   .   .   .   .   .   .   .   22   .   H1'    parsed_1lai   1   
        40   1   2   .   .   .   .   .   .   .   .   .   22   .   H4'    parsed_1lai   1   
        41   1   1   .   .   .   .   .   .   .   .   .   22   .   H5'    parsed_1lai   1   
        41   1   1   .   .   .   .   .   .   .   .   .   22   .   H5''   parsed_1lai   1   
        41   1   2   .   .   .   .   .   .   .   .   .   22   .   H3'    parsed_1lai   1   
        42   1   1   .   .   .   .   .   .   .   .   .   23   .   H6     parsed_1lai   1   
        42   1   2   .   .   .   .   .   .   .   .   .   22   .   H3'    parsed_1lai   1   
        43   1   1   .   .   .   .   .   .   .   .   .   23   .   H5     parsed_1lai   1   
        43   1   2   .   .   .   .   .   .   .   .   .   22   .   H3'    parsed_1lai   1   
        44   1   1   .   .   .   .   .   .   .   .   .   23   .   H6     parsed_1lai   1   
        44   1   2   .   .   .   .   .   .   .   .   .   22   .   H6     parsed_1lai   1   
        45   1   1   .   .   .   .   .   .   .   .   .   23   .   H5'    parsed_1lai   1   
        45   1   1   .   .   .   .   .   .   .   .   .   23   .   H5''   parsed_1lai   1   
        45   1   2   .   .   .   .   .   .   .   .   .   23   .   H6     parsed_1lai   1   
        46   1   1   .   .   .   .   .   .   .   .   .   24   .   H8     parsed_1lai   1   
        46   1   2   .   .   .   .   .   .   .   .   .   24   .   H2'    parsed_1lai   1   
        47   1   1   .   .   .   .   .   .   .   .   .   24   .   H8     parsed_1lai   1   
        47   1   2   .   .   .   .   .   .   .   .   .   24   .   H2''   parsed_1lai   1   
        48   1   1   .   .   .   .   .   .   .   .   .   24   .   H1'    parsed_1lai   1   
        48   1   2   .   .   .   .   .   .   .   .   .   25   .   H4'    parsed_1lai   1   
        49   1   1   .   .   .   .   .   .   .   .   .   25   .   H1'    parsed_1lai   1   
        49   1   2   .   .   .   .   .   .   .   .   .   25   .   H4'    parsed_1lai   1   
        50   1   1   .   .   .   .   .   .   .   .   .   26   .   H8     parsed_1lai   1   
        50   1   2   .   .   .   .   .   .   .   .   .   26   .   H2'    parsed_1lai   1   
        51   1   1   .   .   .   .   .   .   .   .   .   26   .   H1'    parsed_1lai   1   
        51   1   2   .   .   .   .   .   .   .   .   .   26   .   H4'    parsed_1lai   1   
        52   1   1   .   .   .   .   .   .   .   .   .   26   .   H5'    parsed_1lai   1   
        52   1   1   .   .   .   .   .   .   .   .   .   26   .   H5''   parsed_1lai   1   
        52   1   2   .   .   .   .   .   .   .   .   .   26   .   H1'    parsed_1lai   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   .   .   .   .   .   3.00   2.15   3.85   parsed_1lai   1   
         2   1   .   .   .   .   .   3.72   2.34   5.10   parsed_1lai   1   
         3   1   .   .   .   .   .   2.23   2.09   2.37   parsed_1lai   1   
         4   1   .   .   .   .   .   2.83   2.16   3.50   parsed_1lai   1   
         5   1   .   .   .   .   .   3.06   2.12   4.00   parsed_1lai   1   
         6   1   .   .   .   .   .   5.00   4.60   5.40   parsed_1lai   1   
         7   1   .   .   .   .   .   3.76   2.56   4.97   parsed_1lai   1   
         8   1   .   .   .   .   .   2.83   2.08   3.58   parsed_1lai   1   
         9   1   .   .   .   .   .   2.73   1.93   3.53   parsed_1lai   1   
        10   1   .   .   .   .   .   2.95   2.29   3.60   parsed_1lai   1   
        11   1   .   .   .   .   .   3.77   2.45   5.09   parsed_1lai   1   
        12   1   .   .   .   .   .   3.66   3.40   3.91   parsed_1lai   1   
        13   1   .   .   .   .   .   2.37   1.97   2.77   parsed_1lai   1   
        14   1   .   .   .   .   .   2.88   2.38   3.38   parsed_1lai   1   
        15   1   .   .   .   .   .   4.28   3.10   5.45   parsed_1lai   1   
        16   1   .   .   .   .   .   3.13   1.90   4.36   parsed_1lai   1   
        17   1   .   .   .   .   .   3.96   2.21   5.71   parsed_1lai   1   
        18   1   .   .   .   .   .   2.73   2.25   3.21   parsed_1lai   1   
        19   1   .   .   .   .   .   3.08   2.32   3.83   parsed_1lai   1   
        20   1   .   .   .   .   .   3.79   2.73   4.85   parsed_1lai   1   
        21   1   .   .   .   .   .   4.04   2.39   5.70   parsed_1lai   1   
        22   1   .   .   .   .   .   5.00   4.60   5.40   parsed_1lai   1   
        23   1   .   .   .   .   .   4.09   3.49   4.69   parsed_1lai   1   
        24   1   .   .   .   .   .   2.17   1.93   2.40   parsed_1lai   1   
        25   1   .   .   .   .   .   2.92   2.15   3.69   parsed_1lai   1   
        26   1   .   .   .   .   .   3.67   2.25   5.09   parsed_1lai   1   
        27   1   .   .   .   .   .   2.92   2.21   3.63   parsed_1lai   1   
        28   1   .   .   .   .   .   2.12   1.95   2.29   parsed_1lai   1   
        29   1   .   .   .   .   .   3.13   2.27   4.00   parsed_1lai   1   
        30   1   .   .   .   .   .   4.00   3.22   4.79   parsed_1lai   1   
        31   1   .   .   .   .   .   3.02   2.16   3.88   parsed_1lai   1   
        32   1   .   .   .   .   .   3.77   2.45   5.09   parsed_1lai   1   
        33   1   .   .   .   .   .   2.22   2.09   2.36   parsed_1lai   1   
        34   1   .   .   .   .   .   2.27   1.89   2.65   parsed_1lai   1   
        35   1   .   .   .   .   .   3.68   2.92   4.44   parsed_1lai   1   
        36   1   .   .   .   .   .   5.00   4.60   5.40   parsed_1lai   1   
        37   1   .   .   .   .   .   4.11   3.26   4.96   parsed_1lai   1   
        38   1   .   .   .   .   .   4.33   3.37   5.29   parsed_1lai   1   
        39   1   .   .   .   .   .   3.64   2.53   4.75   parsed_1lai   1   
        40   1   .   .   .   .   .   2.90   2.19   3.61   parsed_1lai   1   
        41   1   .   .   .   .   .   2.88   2.07   3.70   parsed_1lai   1   
        42   1   .   .   .   .   .   4.71   3.83   5.59   parsed_1lai   1   
        43   1   .   .   .   .   .   3.77   2.33   5.21   parsed_1lai   1   
        44   1   .   .   .   .   .   5.00   4.60   5.40   parsed_1lai   1   
        45   1   .   .   .   .   .   4.64   3.94   5.35   parsed_1lai   1   
        46   1   .   .   .   .   .   2.17   1.94   2.40   parsed_1lai   1   
        47   1   .   .   .   .   .   2.92   2.09   3.75   parsed_1lai   1   
        48   1   .   .   .   .   .   3.69   2.28   5.10   parsed_1lai   1   
        49   1   .   .   .   .   .   2.93   2.19   3.67   parsed_1lai   1   
        50   1   .   .   .   .   .   2.11   1.97   2.25   parsed_1lai   1   
        51   1   .   .   .   .   .   3.05   2.24   3.86   parsed_1lai   1   
        52   1   .   .   .   .   .   4.03   3.22   4.83   parsed_1lai   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+0.5    1   81    1   91   parsed_1lai   1   
         2    ub=5.1    2   81    2   91   parsed_1lai   1   
         3    nc        3   81    3   91   parsed_1lai   1   
         4    ub+1.0    4   81    4   91   parsed_1lai   1   
         5    ub+1.5    5   81    5   91   parsed_1lai   1   
         6    gen       6   81    6   91   parsed_1lai   1   
         7    ub+1.5    8   81    8   91   parsed_1lai   1   
         8    ub+1.0   10   81   10   91   parsed_1lai   1   
         9    ub+1.0   11   81   11   91   parsed_1lai   1   
        10    nc       12   81   12   91   parsed_1lai   1   
        11    ub=5.1   13   81   13   91   parsed_1lai   1   
        12    nc       14   81   14   91   parsed_1lai   1   
        13    ub+0.3   15   81   15   91   parsed_1lai   1   
        14    nc       16   81   16   91   parsed_1lai   1   
        15    ub+1.0   17   81   17   91   parsed_1lai   1   
        16    ub+1.8   18   81   18   91   parsed_1lai   1   
        17   
;
ub=5.7
assign ( resid   9 and name H1'  )( resid  10 and name Q5'  )  4.36  1.02  1.02 ! OFF
;
   19   81   20   93   parsed_1lai   1   
        18    nc       21   81   21   91   parsed_1lai   1   
        19    nc       22   81   22   91   parsed_1lai   1   
        20    ub+1.0   23   81   23   91   parsed_1lai   1   
        21    ub=5.7   24   81   24   91   parsed_1lai   1   
        22    gen      25   81   25   91   parsed_1lai   1   
        23    nc       27   81   27   91   parsed_1lai   1   
        24    nc       28   81   28   91   parsed_1lai   1   
        25    ub+0.5   29   81   29   91   parsed_1lai   1   
        26    ub=5.1   30   81   30   91   parsed_1lai   1   
        27    ub+1.0   31   81   31   91   parsed_1lai   1   
        28    nc       32   81   32   91   parsed_1lai   1   
        29    ub+1.0   33   81   33   91   parsed_1lai   1   
        30    nc       35   81   35   91   parsed_1lai   1   
        31    ub+0.5   36   81   36   91   parsed_1lai   1   
        32    ub=5.1   37   81   37   91   parsed_1lai   1   
        33    nc       38   81   38   91   parsed_1lai   1   
        34    ub+0.3   39   81   39   91   parsed_1lai   1   
        35    nc       40   81   40   91   parsed_1lai   1   
        36    gen      41   81   41   91   parsed_1lai   1   
        37    nc       43   81   43   91   parsed_1lai   1   
        38    ub+1.5   44   81   44   91   parsed_1lai   1   
        39    ub+1.2   45   81   45   91   parsed_1lai   1   
        40    ub+1.0   46   81   46   91   parsed_1lai   1   
        41    ub+1.0   48   81   48   91   parsed_1lai   1   
        42    nc       49   81   49   91   parsed_1lai   1   
        43    ub+1     50   81   50   91   parsed_1lai   1   
        44    gen      51   81   51   91   parsed_1lai   1   
        45    nc       53   81   53   91   parsed_1lai   1   
        46    nc       54   81   54   91   parsed_1lai   1   
        47    ub+0.5   55   81   55   91   parsed_1lai   1   
        48    ub=5.1   56   81   56   91   parsed_1lai   1   
        49    ub+1.0   57   81   57   91   parsed_1lai   1   
        50    nc       58   81   58   91   parsed_1lai   1   
        51    ub+1.0   59   81   59   91   parsed_1lai   1   
        52    nc       61   81   61   91   parsed_1lai   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 8:41:33 PM GMT (wattos1)