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
28774 149d cing 2-parsed STAR distance hydrogen bond simple 58


data_149d_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_149d 
    _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_149d   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_149d 
    _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   149d   "Master copy"    parsed_149d   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_149d 
    _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   149d.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"      0   parsed_149d   1   
        1   149d.mr   .   .    XPLOR/CNS     2    distance                  NOE                 simple             226   parsed_149d   1   
        1   149d.mr   .   .    XPLOR/CNS     3    distance                  NOE                 simple              94   parsed_149d   1   
        1   149d.mr   .   .    XPLOR/CNS     4    distance                  NOE                 simple              52   parsed_149d   1   
        1   149d.mr   .   .    XPLOR/CNS     5    distance                 "hydrogen bond"      simple              58   parsed_149d   1   
        1   149d.mr   .   .    XPLOR/CNS     6    distance                 "NOE not seen"       simple               0   parsed_149d   1   
        1   149d.mr   .   .    XPLOR/CNS     7    distance                 "NOE build-up"       simple               0   parsed_149d   1   
        1   149d.mr   .   .    XPLOR/CNS     8   "dihedral angle"          "Not applicable"    "Not applicable"      0   parsed_149d   1   
        1   149d.mr   .   .   "MR format"    9   "nomenclature mapping"    "Not applicable"    "Not applicable"      0   parsed_149d   1   
    stop_

save_


save_CNS/XPLOR_distance_constraints_5
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_149d 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type    "hydrogen bond" 
    _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_149d   1   
         2   1   .   .   .   parsed_149d   1   
         3   1   .   .   .   parsed_149d   1   
         4   1   .   .   .   parsed_149d   1   
         5   1   .   .   .   parsed_149d   1   
         6   1   .   .   .   parsed_149d   1   
         7   1   .   .   .   parsed_149d   1   
         8   1   .   .   .   parsed_149d   1   
         9   1   .   .   .   parsed_149d   1   
        10   1   .   .   .   parsed_149d   1   
        11   1   .   .   .   parsed_149d   1   
        12   1   .   .   .   parsed_149d   1   
        13   1   .   .   .   parsed_149d   1   
        14   1   .   .   .   parsed_149d   1   
        15   1   .   .   .   parsed_149d   1   
        16   1   .   .   .   parsed_149d   1   
        17   1   .   .   .   parsed_149d   1   
        18   1   .   .   .   parsed_149d   1   
        19   1   .   .   .   parsed_149d   1   
        20   1   .   .   .   parsed_149d   1   
        21   1   .   .   .   parsed_149d   1   
        22   1   .   .   .   parsed_149d   1   
        23   1   .   .   .   parsed_149d   1   
        24   1   .   .   .   parsed_149d   1   
        25   1   .   .   .   parsed_149d   1   
        26   1   .   .   .   parsed_149d   1   
        27   1   .   .   .   parsed_149d   1   
        28   1   .   .   .   parsed_149d   1   
        29   1   .   .   .   parsed_149d   1   
        30   1   .   .   .   parsed_149d   1   
        31   1   .   .   .   parsed_149d   1   
        32   1   .   .   .   parsed_149d   1   
        33   1   .   .   .   parsed_149d   1   
        34   1   .   .   .   parsed_149d   1   
        35   1   .   .   .   parsed_149d   1   
        36   1   .   .   .   parsed_149d   1   
        37   1   .   .   .   parsed_149d   1   
        38   1   .   .   .   parsed_149d   1   
        39   1   .   .   .   parsed_149d   1   
        40   1   .   .   .   parsed_149d   1   
        41   1   .   .   .   parsed_149d   1   
        42   1   .   .   .   parsed_149d   1   
        43   1   .   .   .   parsed_149d   1   
        44   1   .   .   .   parsed_149d   1   
        45   1   .   .   .   parsed_149d   1   
        46   1   .   .   .   parsed_149d   1   
        47   1   .   .   .   parsed_149d   1   
        48   1   .   .   .   parsed_149d   1   
        49   1   .   .   .   parsed_149d   1   
        50   1   .   .   .   parsed_149d   1   
        51   1   .   .   .   parsed_149d   1   
        52   1   .   .   .   parsed_149d   1   
        53   1   .   .   .   parsed_149d   1   
        54   1   .   .   .   parsed_149d   1   
        55   1   .   .   .   parsed_149d   1   
        56   1   .   .   .   parsed_149d   1   
        57   1   .   .   .   parsed_149d   1   
        58   1   .   .   .   parsed_149d   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   .   .   .   .   .   .   .   .   GTA1    1   .   N3    parsed_149d   1   
         1   1   2   .   .   .   .   .   .   .   .   GTA2   14   .   H1    parsed_149d   1   
         2   1   1   .   .   .   .   .   .   .   .   GTA1    1   .   H42   parsed_149d   1   
         2   1   2   .   .   .   .   .   .   .   .   GTA2   14   .   O6    parsed_149d   1   
         3   1   1   .   .   .   .   .   .   .   .   GTA1    1   .   O2    parsed_149d   1   
         3   1   2   .   .   .   .   .   .   .   .   GTA2   14   .   H22   parsed_149d   1   
         4   1   1   .   .   .   .   .   .   .   .   GTA1    2   .   N3    parsed_149d   1   
         4   1   2   .   .   .   .   .   .   .   .   GTA2   13   .   H1    parsed_149d   1   
         5   1   1   .   .   .   .   .   .   .   .   GTA1    2   .   H42   parsed_149d   1   
         5   1   2   .   .   .   .   .   .   .   .   GTA2   13   .   O6    parsed_149d   1   
         6   1   1   .   .   .   .   .   .   .   .   GTA1    2   .   O2    parsed_149d   1   
         6   1   2   .   .   .   .   .   .   .   .   GTA2   13   .   H22   parsed_149d   1   
         7   1   1   .   .   .   .   .   .   .   .   GTA1    3   .   H3    parsed_149d   1   
         7   1   2   .   .   .   .   .   .   .   .   GTA2   12   .   N1    parsed_149d   1   
         8   1   1   .   .   .   .   .   .   .   .   GTA1    3   .   O4    parsed_149d   1   
         8   1   2   .   .   .   .   .   .   .   .   GTA2   12   .   H61   parsed_149d   1   
         9   1   1   .   .   .   .   .   .   .   .   GTA1    4   .   N1    parsed_149d   1   
         9   1   2   .   .   .   .   .   .   .   .   GTA2   11   .   H3    parsed_149d   1   
        10   1   1   .   .   .   .   .   .   .   .   GTA1    4   .   H61   parsed_149d   1   
        10   1   2   .   .   .   .   .   .   .   .   GTA2   11   .   O4    parsed_149d   1   
        11   1   1   .   .   .   .   .   .   .   .   GTA1    5   .   H3    parsed_149d   1   
        11   1   2   .   .   .   .   .   .   .   .   GTA2   10   .   N1    parsed_149d   1   
        12   1   1   .   .   .   .   .   .   .   .   GTA1    5   .   O4    parsed_149d   1   
        12   1   2   .   .   .   .   .   .   .   .   GTA2   10   .   H61   parsed_149d   1   
        13   1   1   .   .   .   .   .   .   .   .   GTA1    6   .   H3    parsed_149d   1   
        13   1   2   .   .   .   .   .   .   .   .   GTA2    9   .   N1    parsed_149d   1   
        14   1   1   .   .   .   .   .   .   .   .   GTA1    6   .   O4    parsed_149d   1   
        14   1   2   .   .   .   .   .   .   .   .   GTA2    9   .   H61   parsed_149d   1   
        15   1   1   .   .   .   .   .   .   .   .   GTA1    7   .   N3    parsed_149d   1   
        15   1   2   .   .   .   .   .   .   .   .   GTA2    8   .   H1    parsed_149d   1   
        16   1   1   .   .   .   .   .   .   .   .   GTA1    7   .   H42   parsed_149d   1   
        16   1   2   .   .   .   .   .   .   .   .   GTA2    8   .   O6    parsed_149d   1   
        17   1   1   .   .   .   .   .   .   .   .   GTA1    7   .   O2    parsed_149d   1   
        17   1   2   .   .   .   .   .   .   .   .   GTA2    8   .   H22   parsed_149d   1   
        18   1   1   .   .   .   .   .   .   .   .   GTA2    8   .   N7    parsed_149d   1   
        18   1   2   .   .   .   .   .   .   .   .   GTA3   15   .   H3    parsed_149d   1   
        19   1   1   .   .   .   .   .   .   .   .   GTA2    8   .   O6    parsed_149d   1   
        19   1   2   .   .   .   .   .   .   .   .   GTA3   15   .   H42   parsed_149d   1   
        20   1   1   .   .   .   .   .   .   .   .   GTA2    9   .   N7    parsed_149d   1   
        20   1   2   .   .   .   .   .   .   .   .   GTA3   16   .   H3    parsed_149d   1   
        21   1   1   .   .   .   .   .   .   .   .   GTA2    9   .   H62   parsed_149d   1   
        21   1   2   .   .   .   .   .   .   .   .   GTA3   16   .   O4    parsed_149d   1   
        22   1   1   .   .   .   .   .   .   .   .   GTA2   10   .   N7    parsed_149d   1   
        22   1   2   .   .   .   .   .   .   .   .   GTA3   17   .   H3    parsed_149d   1   
        23   1   1   .   .   .   .   .   .   .   .   GTA2   10   .   H62   parsed_149d   1   
        23   1   2   .   .   .   .   .   .   .   .   GTA3   17   .   O4    parsed_149d   1   
        24   1   1   .   .   .   .   .   .   .   .   GTA2   12   .   N7    parsed_149d   1   
        24   1   2   .   .   .   .   .   .   .   .   GTA3   19   .   H3    parsed_149d   1   
        25   1   1   .   .   .   .   .   .   .   .   GTA2   12   .   H62   parsed_149d   1   
        25   1   2   .   .   .   .   .   .   .   .   GTA3   19   .   O4    parsed_149d   1   
        26   1   1   .   .   .   .   .   .   .   .   GTA2   13   .   N7    parsed_149d   1   
        26   1   2   .   .   .   .   .   .   .   .   GTA3   20   .   H3    parsed_149d   1   
        27   1   1   .   .   .   .   .   .   .   .   GTA2   13   .   O6    parsed_149d   1   
        27   1   2   .   .   .   .   .   .   .   .   GTA3   20   .   H42   parsed_149d   1   
        28   1   1   .   .   .   .   .   .   .   .   GTA2   14   .   N7    parsed_149d   1   
        28   1   2   .   .   .   .   .   .   .   .   GTA3   21   .   H3    parsed_149d   1   
        29   1   1   .   .   .   .   .   .   .   .   GTA2   14   .   O6    parsed_149d   1   
        29   1   2   .   .   .   .   .   .   .   .   GTA3   21   .   H42   parsed_149d   1   
        30   1   1   .   .   .   .   .   .   .   .   GTA1    1   .   N3    parsed_149d   1   
        30   1   2   .   .   .   .   .   .   .   .   GTA2   14   .   N1    parsed_149d   1   
        31   1   1   .   .   .   .   .   .   .   .   GTA1    1   .   N4    parsed_149d   1   
        31   1   2   .   .   .   .   .   .   .   .   GTA2   14   .   O6    parsed_149d   1   
        32   1   1   .   .   .   .   .   .   .   .   GTA1    1   .   O2    parsed_149d   1   
        32   1   2   .   .   .   .   .   .   .   .   GTA2   14   .   N2    parsed_149d   1   
        33   1   1   .   .   .   .   .   .   .   .   GTA1    2   .   N3    parsed_149d   1   
        33   1   2   .   .   .   .   .   .   .   .   GTA2   13   .   N1    parsed_149d   1   
        34   1   1   .   .   .   .   .   .   .   .   GTA1    2   .   N4    parsed_149d   1   
        34   1   2   .   .   .   .   .   .   .   .   GTA2   13   .   O6    parsed_149d   1   
        35   1   1   .   .   .   .   .   .   .   .   GTA1    2   .   O2    parsed_149d   1   
        35   1   2   .   .   .   .   .   .   .   .   GTA2   13   .   N2    parsed_149d   1   
        36   1   1   .   .   .   .   .   .   .   .   GTA1    3   .   N3    parsed_149d   1   
        36   1   2   .   .   .   .   .   .   .   .   GTA2   12   .   N1    parsed_149d   1   
        37   1   1   .   .   .   .   .   .   .   .   GTA1    3   .   O4    parsed_149d   1   
        37   1   2   .   .   .   .   .   .   .   .   GTA2   12   .   N6    parsed_149d   1   
        38   1   1   .   .   .   .   .   .   .   .   GTA1    4   .   N1    parsed_149d   1   
        38   1   2   .   .   .   .   .   .   .   .   GTA2   11   .   N3    parsed_149d   1   
        39   1   1   .   .   .   .   .   .   .   .   GTA1    4   .   N6    parsed_149d   1   
        39   1   2   .   .   .   .   .   .   .   .   GTA2   11   .   O4    parsed_149d   1   
        40   1   1   .   .   .   .   .   .   .   .   GTA1    5   .   N3    parsed_149d   1   
        40   1   2   .   .   .   .   .   .   .   .   GTA2   10   .   N1    parsed_149d   1   
        41   1   1   .   .   .   .   .   .   .   .   GTA1    5   .   O4    parsed_149d   1   
        41   1   2   .   .   .   .   .   .   .   .   GTA2   10   .   N6    parsed_149d   1   
        42   1   1   .   .   .   .   .   .   .   .   GTA1    6   .   N3    parsed_149d   1   
        42   1   2   .   .   .   .   .   .   .   .   GTA2    9   .   N1    parsed_149d   1   
        43   1   1   .   .   .   .   .   .   .   .   GTA1    6   .   O4    parsed_149d   1   
        43   1   2   .   .   .   .   .   .   .   .   GTA2    9   .   N6    parsed_149d   1   
        44   1   1   .   .   .   .   .   .   .   .   GTA1    7   .   N3    parsed_149d   1   
        44   1   2   .   .   .   .   .   .   .   .   GTA2    8   .   N1    parsed_149d   1   
        45   1   1   .   .   .   .   .   .   .   .   GTA1    7   .   N4    parsed_149d   1   
        45   1   2   .   .   .   .   .   .   .   .   GTA2    8   .   O6    parsed_149d   1   
        46   1   1   .   .   .   .   .   .   .   .   GTA1    7   .   O2    parsed_149d   1   
        46   1   2   .   .   .   .   .   .   .   .   GTA2    8   .   N2    parsed_149d   1   
        47   1   1   .   .   .   .   .   .   .   .   GTA2    8   .   N7    parsed_149d   1   
        47   1   2   .   .   .   .   .   .   .   .   GTA3   15   .   N3    parsed_149d   1   
        48   1   1   .   .   .   .   .   .   .   .   GTA2    8   .   O6    parsed_149d   1   
        48   1   2   .   .   .   .   .   .   .   .   GTA3   15   .   N4    parsed_149d   1   
        49   1   1   .   .   .   .   .   .   .   .   GTA2    9   .   N7    parsed_149d   1   
        49   1   2   .   .   .   .   .   .   .   .   GTA3   16   .   N3    parsed_149d   1   
        50   1   1   .   .   .   .   .   .   .   .   GTA2    9   .   N6    parsed_149d   1   
        50   1   2   .   .   .   .   .   .   .   .   GTA3   16   .   O4    parsed_149d   1   
        51   1   1   .   .   .   .   .   .   .   .   GTA2   10   .   N7    parsed_149d   1   
        51   1   2   .   .   .   .   .   .   .   .   GTA3   17   .   N3    parsed_149d   1   
        52   1   1   .   .   .   .   .   .   .   .   GTA2   10   .   N6    parsed_149d   1   
        52   1   2   .   .   .   .   .   .   .   .   GTA3   17   .   O4    parsed_149d   1   
        53   1   1   .   .   .   .   .   .   .   .   GTA2   12   .   N7    parsed_149d   1   
        53   1   2   .   .   .   .   .   .   .   .   GTA3   19   .   N3    parsed_149d   1   
        54   1   1   .   .   .   .   .   .   .   .   GTA2   12   .   N6    parsed_149d   1   
        54   1   2   .   .   .   .   .   .   .   .   GTA3   19   .   O4    parsed_149d   1   
        55   1   1   .   .   .   .   .   .   .   .   GTA2   13   .   N7    parsed_149d   1   
        55   1   2   .   .   .   .   .   .   .   .   GTA3   20   .   N3    parsed_149d   1   
        56   1   1   .   .   .   .   .   .   .   .   GTA2   13   .   O6    parsed_149d   1   
        56   1   2   .   .   .   .   .   .   .   .   GTA3   20   .   N4    parsed_149d   1   
        57   1   1   .   .   .   .   .   .   .   .   GTA2   14   .   N7    parsed_149d   1   
        57   1   2   .   .   .   .   .   .   .   .   GTA3   21   .   N3    parsed_149d   1   
        58   1   1   .   .   .   .   .   .   .   .   GTA2   14   .   O6    parsed_149d   1   
        58   1   2   .   .   .   .   .   .   .   .   GTA3   21   .   N4    parsed_149d   1   
    stop_


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

         1   1   .   .   .   .   .   1.940   1.840   2.040   parsed_149d   1   
         2   1   .   .   .   .   .   1.900   1.800   2.000   parsed_149d   1   
         3   1   .   .   .   .   .   1.840   1.740   1.940   parsed_149d   1   
         4   1   .   .   .   .   .   1.940   1.840   2.040   parsed_149d   1   
         5   1   .   .   .   .   .   1.900   1.800   2.000   parsed_149d   1   
         6   1   .   .   .   .   .   1.840   1.740   1.940   parsed_149d   1   
         7   1   .   .   .   .   .   1.810   1.710   1.910   parsed_149d   1   
         8   1   .   .   .   .   .   1.840   1.740   1.940   parsed_149d   1   
         9   1   .   .   .   .   .   1.810   1.710   1.910   parsed_149d   1   
        10   1   .   .   .   .   .   1.840   1.740   1.940   parsed_149d   1   
        11   1   .   .   .   .   .   1.810   1.710   1.910   parsed_149d   1   
        12   1   .   .   .   .   .   1.840   1.740   1.940   parsed_149d   1   
        13   1   .   .   .   .   .   1.810   1.710   1.910   parsed_149d   1   
        14   1   .   .   .   .   .   1.840   1.740   1.940   parsed_149d   1   
        15   1   .   .   .   .   .   1.940   1.840   2.040   parsed_149d   1   
        16   1   .   .   .   .   .   1.900   1.800   2.000   parsed_149d   1   
        17   1   .   .   .   .   .   1.840   1.740   1.940   parsed_149d   1   
        18   1   .   .   .   .   .   1.940   1.840   2.040   parsed_149d   1   
        19   1   .   .   .   .   .   1.900   1.800   2.000   parsed_149d   1   
        20   1   .   .   .   .   .   1.880   1.780   1.980   parsed_149d   1   
        21   1   .   .   .   .   .   1.820   1.720   1.920   parsed_149d   1   
        22   1   .   .   .   .   .   1.880   1.780   1.980   parsed_149d   1   
        23   1   .   .   .   .   .   1.820   1.720   1.920   parsed_149d   1   
        24   1   .   .   .   .   .   1.880   1.780   1.980   parsed_149d   1   
        25   1   .   .   .   .   .   1.820   1.720   1.920   parsed_149d   1   
        26   1   .   .   .   .   .   1.940   1.840   2.040   parsed_149d   1   
        27   1   .   .   .   .   .   1.900   1.800   2.000   parsed_149d   1   
        28   1   .   .   .   .   .   1.940   1.840   2.040   parsed_149d   1   
        29   1   .   .   .   .   .   1.900   1.800   2.000   parsed_149d   1   
        30   1   .   .   .   .   .   2.950   2.850   3.050   parsed_149d   1   
        31   1   .   .   .   .   .   2.910   2.810   3.010   parsed_149d   1   
        32   1   .   .   .   .   .   2.860   2.760   2.960   parsed_149d   1   
        33   1   .   .   .   .   .   2.950   2.850   3.050   parsed_149d   1   
        34   1   .   .   .   .   .   2.910   2.810   3.010   parsed_149d   1   
        35   1   .   .   .   .   .   2.860   2.760   2.960   parsed_149d   1   
        36   1   .   .   .   .   .   2.820   2.720   2.920   parsed_149d   1   
        37   1   .   .   .   .   .   2.950   2.850   3.050   parsed_149d   1   
        38   1   .   .   .   .   .   2.820   2.720   2.920   parsed_149d   1   
        39   1   .   .   .   .   .   2.950   2.850   3.050   parsed_149d   1   
        40   1   .   .   .   .   .   2.820   2.720   2.920   parsed_149d   1   
        41   1   .   .   .   .   .   2.950   2.850   3.050   parsed_149d   1   
        42   1   .   .   .   .   .   2.820   2.720   2.920   parsed_149d   1   
        43   1   .   .   .   .   .   2.950   2.850   3.050   parsed_149d   1   
        44   1   .   .   .   .   .   2.950   2.850   3.050   parsed_149d   1   
        45   1   .   .   .   .   .   2.910   2.810   3.010   parsed_149d   1   
        46   1   .   .   .   .   .   2.860   2.760   2.960   parsed_149d   1   
        47   1   .   .   .   .   .   2.950   2.850   3.050   parsed_149d   1   
        48   1   .   .   .   .   .   2.910   2.810   3.010   parsed_149d   1   
        49   1   .   .   .   .   .   2.927   2.827   3.027   parsed_149d   1   
        50   1   .   .   .   .   .   2.861   2.761   2.961   parsed_149d   1   
        51   1   .   .   .   .   .   2.927   2.827   3.027   parsed_149d   1   
        52   1   .   .   .   .   .   2.861   2.761   2.961   parsed_149d   1   
        53   1   .   .   .   .   .   2.927   2.827   3.027   parsed_149d   1   
        54   1   .   .   .   .   .   2.861   2.761   2.961   parsed_149d   1   
        55   1   .   .   .   .   .   2.950   2.850   3.050   parsed_149d   1   
        56   1   .   .   .   .   .   2.910   2.810   3.010   parsed_149d   1   
        57   1   .   .   .   .   .   2.950   2.850   3.050   parsed_149d   1   
        58   1   .   .   .   .   .   2.910   2.810   3.010   parsed_149d   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   
;
TABLE 4
HYDROGEN BONDING DISTANCE RESTRAINTS
INFERRED FROM CHEMICAL SHIFTS OF PROTON RESONANCES

C1-G14
;
     1   1     6   15   parsed_149d   1   
         2    C2-G13     13   1    13   15   parsed_149d   1   
         3    T3-A12     20   1    20   15   parsed_149d   1   
         4    A4-T11     25   1    25   15   parsed_149d   1   
         5    T5-A10     30   1    30   15   parsed_149d   1   
         6    T6-A9      35   1    35   15   parsed_149d   1   
         7    C7-G8      40   1    40   15   parsed_149d   1   
         8    G8-C15     47   1    47   15   parsed_149d   1   
         9    A9-T16     52   1    52   15   parsed_149d   1   
        10    A10-T17    57   1    57   16   parsed_149d   1   
        11    A12-T19    62   1    62   16   parsed_149d   1   
        12    G13-C20    67   1    67   16   parsed_149d   1   
        13    G14-C21    72   1    72   16   parsed_149d   1   
        14    C1-G14     77   1    77   15   parsed_149d   1   
        15    C2-G13     84   1    84   15   parsed_149d   1   
        16    T3-A12     91   1    91   15   parsed_149d   1   
        17    A4-T11     96   1    96   15   parsed_149d   1   
        18    T5-A10    101   1   101   15   parsed_149d   1   
        19    T6-A9     106   1   106   15   parsed_149d   1   
        20    C7-G8     111   1   111   15   parsed_149d   1   
        21    G8-C15    118   1   118   15   parsed_149d   1   
        22    A9-T16    123   1   123   15   parsed_149d   1   
        23    A10-T17   128   1   128   16   parsed_149d   1   
        24    A12-T19   133   1   133   16   parsed_149d   1   
        25    G13-C20   138   1   138   16   parsed_149d   1   
        26    G14-C21   143   1   143   16   parsed_149d   1   
    stop_

save_





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