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
47082 2g2b 6980 cing 2-parsed STAR distance hydrogen bond simple 81


data_2g2b_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2g2b 
    _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_2g2b   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2g2b 
    _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   2g2b   "Master copy"    parsed_2g2b   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2g2b 
    _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   2g2b.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"       0   parsed_2g2b   1   
        1   2g2b.mr   .   .    XPLOR/CNS     2    distance                  NOE                 simple             2072   parsed_2g2b   1   
        1   2g2b.mr   .   .    XPLOR/CNS     3    distance                 "hydrogen bond"      simple               81   parsed_2g2b   1   
        1   2g2b.mr   .   .    XPLOR/CNS     4   "dihedral angle"          "Not applicable"    "Not applicable"       0   parsed_2g2b   1   
        1   2g2b.mr   .   .   "MR format"    5   "nomenclature mapping"    "Not applicable"    "Not applicable"       0   parsed_2g2b   1   
    stop_

save_


save_CNS/XPLOR_distance_constraints_3
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_2g2b 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type    "hydrogen bond" 
    _Distance_constraint_list.Constraint_file_ID  1 
    _Distance_constraint_list.Block_ID            3 
    _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_2g2b   1   
         2   1   .   .   .   parsed_2g2b   1   
         3   1   .   .   .   parsed_2g2b   1   
         4   1   .   .   .   parsed_2g2b   1   
         5   1   .   .   .   parsed_2g2b   1   
         6   1   .   .   .   parsed_2g2b   1   
         7   1   .   .   .   parsed_2g2b   1   
         8   1   .   .   .   parsed_2g2b   1   
         9   1   .   .   .   parsed_2g2b   1   
        10   1   .   .   .   parsed_2g2b   1   
        11   1   .   .   .   parsed_2g2b   1   
        12   1   .   .   .   parsed_2g2b   1   
        13   1   .   .   .   parsed_2g2b   1   
        14   1   .   .   .   parsed_2g2b   1   
        15   1   .   .   .   parsed_2g2b   1   
        16   1   .   .   .   parsed_2g2b   1   
        17   1   .   .   .   parsed_2g2b   1   
        18   1   .   .   .   parsed_2g2b   1   
        19   1   .   .   .   parsed_2g2b   1   
        20   1   .   .   .   parsed_2g2b   1   
        21   1   .   .   .   parsed_2g2b   1   
        22   1   .   .   .   parsed_2g2b   1   
        23   1   .   .   .   parsed_2g2b   1   
        24   1   .   .   .   parsed_2g2b   1   
        25   1   .   .   .   parsed_2g2b   1   
        26   1   .   .   .   parsed_2g2b   1   
        27   1   .   .   .   parsed_2g2b   1   
        28   1   .   .   .   parsed_2g2b   1   
        29   1   .   .   .   parsed_2g2b   1   
        30   1   .   .   .   parsed_2g2b   1   
        31   1   .   .   .   parsed_2g2b   1   
        32   1   .   .   .   parsed_2g2b   1   
        33   1   .   .   .   parsed_2g2b   1   
        34   1   .   .   .   parsed_2g2b   1   
        35   1   .   .   .   parsed_2g2b   1   
        36   1   .   .   .   parsed_2g2b   1   
        37   1   .   .   .   parsed_2g2b   1   
        38   1   .   .   .   parsed_2g2b   1   
        39   1   .   .   .   parsed_2g2b   1   
        40   1   .   .   .   parsed_2g2b   1   
        41   1   .   .   .   parsed_2g2b   1   
        42   1   .   .   .   parsed_2g2b   1   
        43   1   .   .   .   parsed_2g2b   1   
        44   1   .   .   .   parsed_2g2b   1   
        45   1   .   .   .   parsed_2g2b   1   
        46   1   .   .   .   parsed_2g2b   1   
        47   1   .   .   .   parsed_2g2b   1   
        48   1   .   .   .   parsed_2g2b   1   
        49   1   .   .   .   parsed_2g2b   1   
        50   1   .   .   .   parsed_2g2b   1   
        51   1   .   .   .   parsed_2g2b   1   
        52   1   .   .   .   parsed_2g2b   1   
        53   1   .   .   .   parsed_2g2b   1   
        54   1   .   .   .   parsed_2g2b   1   
        55   1   .   .   .   parsed_2g2b   1   
        56   1   .   .   .   parsed_2g2b   1   
        57   1   .   .   .   parsed_2g2b   1   
        58   1   .   .   .   parsed_2g2b   1   
        59   1   .   .   .   parsed_2g2b   1   
        60   1   .   .   .   parsed_2g2b   1   
        61   1   .   .   .   parsed_2g2b   1   
        62   1   .   .   .   parsed_2g2b   1   
        63   1   .   .   .   parsed_2g2b   1   
        64   1   .   .   .   parsed_2g2b   1   
        65   1   .   .   .   parsed_2g2b   1   
        66   1   .   .   .   parsed_2g2b   1   
        67   1   .   .   .   parsed_2g2b   1   
        68   1   .   .   .   parsed_2g2b   1   
        69   1   .   .   .   parsed_2g2b   1   
        70   1   .   .   .   parsed_2g2b   1   
        71   1   .   .   .   parsed_2g2b   1   
        72   1   .   .   .   parsed_2g2b   1   
        73   1   .   .   .   parsed_2g2b   1   
        74   1   .   .   .   parsed_2g2b   1   
        75   1   .   .   .   parsed_2g2b   1   
        76   1   .   .   .   parsed_2g2b   1   
        77   1   .   .   .   parsed_2g2b   1   
        78   1   .   .   .   parsed_2g2b   1   
        79   1   .   .   .   parsed_2g2b   1   
        80   1   .   .   .   parsed_2g2b   1   
        81   1   .   .   .   parsed_2g2b   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   .   .   .   .   .   .   .   .   .    23   .   H     parsed_2g2b   1   
         1   1   2   .   .   .   .   .   .   .   .   .    19   .   O     parsed_2g2b   1   
         2   1   1   .   .   .   .   .   .   .   .   .    23   .   N     parsed_2g2b   1   
         2   1   2   .   .   .   .   .   .   .   .   .    19   .   O     parsed_2g2b   1   
         3   1   1   .   .   .   .   .   .   .   .   .    24   .   H     parsed_2g2b   1   
         3   1   2   .   .   .   .   .   .   .   .   .    20   .   O     parsed_2g2b   1   
         4   1   1   .   .   .   .   .   .   .   .   .    24   .   N     parsed_2g2b   1   
         4   1   2   .   .   .   .   .   .   .   .   .    20   .   O     parsed_2g2b   1   
         5   1   1   .   .   .   .   .   .   .   .   .    25   .   H     parsed_2g2b   1   
         5   1   2   .   .   .   .   .   .   .   .   .    21   .   O     parsed_2g2b   1   
         6   1   1   .   .   .   .   .   .   .   .   .    25   .   N     parsed_2g2b   1   
         6   1   2   .   .   .   .   .   .   .   .   .    21   .   O     parsed_2g2b   1   
         7   1   1   .   .   .   .   .   .   .   .   .    26   .   H     parsed_2g2b   1   
         7   1   2   .   .   .   .   .   .   .   .   .    22   .   O     parsed_2g2b   1   
         8   1   1   .   .   .   .   .   .   .   .   .    26   .   N     parsed_2g2b   1   
         8   1   2   .   .   .   .   .   .   .   .   .    22   .   O     parsed_2g2b   1   
         9   1   1   .   .   .   .   .   .   .   .   .    27   .   H     parsed_2g2b   1   
         9   1   2   .   .   .   .   .   .   .   .   .    23   .   O     parsed_2g2b   1   
        10   1   1   .   .   .   .   .   .   .   .   .    27   .   N     parsed_2g2b   1   
        10   1   2   .   .   .   .   .   .   .   .   .    23   .   O     parsed_2g2b   1   
        11   1   1   .   .   .   .   .   .   .   .   .    28   .   H     parsed_2g2b   1   
        11   1   2   .   .   .   .   .   .   .   .   .    24   .   O     parsed_2g2b   1   
        12   1   1   .   .   .   .   .   .   .   .   .    28   .   N     parsed_2g2b   1   
        12   1   2   .   .   .   .   .   .   .   .   .    24   .   O     parsed_2g2b   1   
        13   1   1   .   .   .   .   .   .   .   .   .    29   .   H     parsed_2g2b   1   
        13   1   2   .   .   .   .   .   .   .   .   .    25   .   O     parsed_2g2b   1   
        14   1   1   .   .   .   .   .   .   .   .   .    29   .   N     parsed_2g2b   1   
        14   1   2   .   .   .   .   .   .   .   .   .    25   .   O     parsed_2g2b   1   
        15   1   1   .   .   .   .   .   .   .   .   .    30   .   H     parsed_2g2b   1   
        15   1   2   .   .   .   .   .   .   .   .   .    26   .   O     parsed_2g2b   1   
        16   1   1   .   .   .   .   .   .   .   .   .    30   .   N     parsed_2g2b   1   
        16   1   2   .   .   .   .   .   .   .   .   .    26   .   O     parsed_2g2b   1   
        17   1   1   .   .   .   .   .   .   .   .   .    31   .   H     parsed_2g2b   1   
        17   1   2   .   .   .   .   .   .   .   .   .    27   .   O     parsed_2g2b   1   
        18   1   1   .   .   .   .   .   .   .   .   .    31   .   N     parsed_2g2b   1   
        18   1   2   .   .   .   .   .   .   .   .   .    27   .   O     parsed_2g2b   1   
        19   1   1   .   .   .   .   .   .   .   .   .    32   .   H     parsed_2g2b   1   
        19   1   2   .   .   .   .   .   .   .   .   .    28   .   O     parsed_2g2b   1   
        20   1   1   .   .   .   .   .   .   .   .   .    32   .   N     parsed_2g2b   1   
        20   1   2   .   .   .   .   .   .   .   .   .    28   .   O     parsed_2g2b   1   
        21   1   1   .   .   .   .   .   .   .   .   .    33   .   H     parsed_2g2b   1   
        21   1   2   .   .   .   .   .   .   .   .   .    29   .   O     parsed_2g2b   1   
        22   1   1   .   .   .   .   .   .   .   .   .    33   .   N     parsed_2g2b   1   
        22   1   2   .   .   .   .   .   .   .   .   .    29   .   O     parsed_2g2b   1   
        23   1   1   .   .   .   .   .   .   .   .   .    34   .   H     parsed_2g2b   1   
        23   1   2   .   .   .   .   .   .   .   .   .    30   .   O     parsed_2g2b   1   
        24   1   1   .   .   .   .   .   .   .   .   .    34   .   N     parsed_2g2b   1   
        24   1   2   .   .   .   .   .   .   .   .   .    30   .   O     parsed_2g2b   1   
        25   1   1   .   .   .   .   .   .   .   .   .    35   .   H     parsed_2g2b   1   
        25   1   2   .   .   .   .   .   .   .   .   .    31   .   O     parsed_2g2b   1   
        26   1   1   .   .   .   .   .   .   .   .   .    35   .   N     parsed_2g2b   1   
        26   1   2   .   .   .   .   .   .   .   .   .    31   .   O     parsed_2g2b   1   
        27   1   1   .   .   .   .   .   .   .   .   .    52   .   H     parsed_2g2b   1   
        27   1   2   .   .   .   .   .   .   .   .   .    48   .   O     parsed_2g2b   1   
        28   1   1   .   .   .   .   .   .   .   .   .    52   .   N     parsed_2g2b   1   
        28   1   2   .   .   .   .   .   .   .   .   .    48   .   O     parsed_2g2b   1   
        29   1   1   .   .   .   .   .   .   .   .   .    53   .   H     parsed_2g2b   1   
        29   1   2   .   .   .   .   .   .   .   .   .    49   .   O     parsed_2g2b   1   
        30   1   1   .   .   .   .   .   .   .   .   .    53   .   N     parsed_2g2b   1   
        30   1   2   .   .   .   .   .   .   .   .   .    49   .   O     parsed_2g2b   1   
        31   1   1   .   .   .   .   .   .   .   .   .    54   .   H     parsed_2g2b   1   
        31   1   2   .   .   .   .   .   .   .   .   .    50   .   O     parsed_2g2b   1   
        32   1   1   .   .   .   .   .   .   .   .   .    54   .   N     parsed_2g2b   1   
        32   1   2   .   .   .   .   .   .   .   .   .    50   .   O     parsed_2g2b   1   
        33   1   1   .   .   .   .   .   .   .   .   .    55   .   H     parsed_2g2b   1   
        33   1   2   .   .   .   .   .   .   .   .   .    51   .   O     parsed_2g2b   1   
        34   1   1   .   .   .   .   .   .   .   .   .    55   .   N     parsed_2g2b   1   
        34   1   2   .   .   .   .   .   .   .   .   .    51   .   O     parsed_2g2b   1   
        35   1   1   .   .   .   .   .   .   .   .   .    56   .   H     parsed_2g2b   1   
        35   1   2   .   .   .   .   .   .   .   .   .    52   .   O     parsed_2g2b   1   
        36   1   1   .   .   .   .   .   .   .   .   .    56   .   N     parsed_2g2b   1   
        36   1   2   .   .   .   .   .   .   .   .   .    52   .   O     parsed_2g2b   1   
        37   1   1   .   .   .   .   .   .   .   .   .    57   .   H     parsed_2g2b   1   
        37   1   2   .   .   .   .   .   .   .   .   .    53   .   O     parsed_2g2b   1   
        38   1   1   .   .   .   .   .   .   .   .   .    57   .   N     parsed_2g2b   1   
        38   1   2   .   .   .   .   .   .   .   .   .    53   .   O     parsed_2g2b   1   
        39   1   1   .   .   .   .   .   .   .   .   .    58   .   H     parsed_2g2b   1   
        39   1   2   .   .   .   .   .   .   .   .   .    54   .   O     parsed_2g2b   1   
        40   1   1   .   .   .   .   .   .   .   .   .    58   .   N     parsed_2g2b   1   
        40   1   2   .   .   .   .   .   .   .   .   .    54   .   O     parsed_2g2b   1   
        41   1   1   .   .   .   .   .   .   .   .   .    74   .   H     parsed_2g2b   1   
        41   1   2   .   .   .   .   .   .   .   .   .    70   .   O     parsed_2g2b   1   
        42   1   1   .   .   .   .   .   .   .   .   .    74   .   N     parsed_2g2b   1   
        42   1   2   .   .   .   .   .   .   .   .   .    70   .   O     parsed_2g2b   1   
        43   1   1   .   .   .   .   .   .   .   .   .    75   .   H     parsed_2g2b   1   
        43   1   2   .   .   .   .   .   .   .   .   .    71   .   O     parsed_2g2b   1   
        44   1   1   .   .   .   .   .   .   .   .   .    75   .   N     parsed_2g2b   1   
        44   1   2   .   .   .   .   .   .   .   .   .    71   .   O     parsed_2g2b   1   
        45   1   1   .   .   .   .   .   .   .   .   .    76   .   H     parsed_2g2b   1   
        45   1   2   .   .   .   .   .   .   .   .   .    72   .   O     parsed_2g2b   1   
        46   1   1   .   .   .   .   .   .   .   .   .    76   .   N     parsed_2g2b   1   
        46   1   2   .   .   .   .   .   .   .   .   .    72   .   O     parsed_2g2b   1   
        47   1   1   .   .   .   .   .   .   .   .   .    77   .   H     parsed_2g2b   1   
        47   1   2   .   .   .   .   .   .   .   .   .    73   .   O     parsed_2g2b   1   
        48   1   1   .   .   .   .   .   .   .   .   .    77   .   N     parsed_2g2b   1   
        48   1   2   .   .   .   .   .   .   .   .   .    73   .   O     parsed_2g2b   1   
        49   1   1   .   .   .   .   .   .   .   .   .    78   .   H     parsed_2g2b   1   
        49   1   2   .   .   .   .   .   .   .   .   .    74   .   O     parsed_2g2b   1   
        50   1   1   .   .   .   .   .   .   .   .   .    78   .   N     parsed_2g2b   1   
        50   1   2   .   .   .   .   .   .   .   .   .    74   .   O     parsed_2g2b   1   
        51   1   1   .   .   .   .   .   .   .   .   .    79   .   H     parsed_2g2b   1   
        51   1   2   .   .   .   .   .   .   .   .   .    75   .   O     parsed_2g2b   1   
        52   1   1   .   .   .   .   .   .   .   .   .    79   .   N     parsed_2g2b   1   
        52   1   2   .   .   .   .   .   .   .   .   .    75   .   O     parsed_2g2b   1   
        53   1   1   .   .   .   .   .   .   .   .   .    90   .   H     parsed_2g2b   1   
        53   1   2   .   .   .   .   .   .   .   .   .    86   .   O     parsed_2g2b   1   
        54   1   1   .   .   .   .   .   .   .   .   .    90   .   N     parsed_2g2b   1   
        54   1   2   .   .   .   .   .   .   .   .   .    86   .   O     parsed_2g2b   1   
        55   1   1   .   .   .   .   .   .   .   .   .    91   .   H     parsed_2g2b   1   
        55   1   2   .   .   .   .   .   .   .   .   .    87   .   O     parsed_2g2b   1   
        56   1   1   .   .   .   .   .   .   .   .   .    91   .   N     parsed_2g2b   1   
        56   1   2   .   .   .   .   .   .   .   .   .    87   .   O     parsed_2g2b   1   
        57   1   1   .   .   .   .   .   .   .   .   .    92   .   H     parsed_2g2b   1   
        57   1   2   .   .   .   .   .   .   .   .   .    88   .   O     parsed_2g2b   1   
        58   1   1   .   .   .   .   .   .   .   .   .    92   .   N     parsed_2g2b   1   
        58   1   2   .   .   .   .   .   .   .   .   .    88   .   O     parsed_2g2b   1   
        59   1   1   .   .   .   .   .   .   .   .   .    93   .   H     parsed_2g2b   1   
        59   1   2   .   .   .   .   .   .   .   .   .    89   .   O     parsed_2g2b   1   
        60   1   1   .   .   .   .   .   .   .   .   .    93   .   N     parsed_2g2b   1   
        60   1   2   .   .   .   .   .   .   .   .   .    89   .   O     parsed_2g2b   1   
        61   1   1   .   .   .   .   .   .   .   .   .    94   .   H     parsed_2g2b   1   
        61   1   2   .   .   .   .   .   .   .   .   .    90   .   O     parsed_2g2b   1   
        62   1   1   .   .   .   .   .   .   .   .   .    94   .   N     parsed_2g2b   1   
        62   1   2   .   .   .   .   .   .   .   .   .    90   .   O     parsed_2g2b   1   
        63   1   1   .   .   .   .   .   .   .   .   .    95   .   H     parsed_2g2b   1   
        63   1   2   .   .   .   .   .   .   .   .   .    91   .   O     parsed_2g2b   1   
        64   1   1   .   .   .   .   .   .   .   .   .    95   .   N     parsed_2g2b   1   
        64   1   2   .   .   .   .   .   .   .   .   .    91   .   O     parsed_2g2b   1   
        65   1   1   .   .   .   .   .   .   .   .   .    96   .   H     parsed_2g2b   1   
        65   1   2   .   .   .   .   .   .   .   .   .    92   .   O     parsed_2g2b   1   
        66   1   1   .   .   .   .   .   .   .   .   .    96   .   N     parsed_2g2b   1   
        66   1   2   .   .   .   .   .   .   .   .   .    92   .   O     parsed_2g2b   1   
        67   1   1   .   .   .   .   .   .   .   .   .    97   .   H     parsed_2g2b   1   
        67   1   2   .   .   .   .   .   .   .   .   .    93   .   O     parsed_2g2b   1   
        68   1   1   .   .   .   .   .   .   .   .   .    97   .   N     parsed_2g2b   1   
        68   1   2   .   .   .   .   .   .   .   .   .    93   .   O     parsed_2g2b   1   
        69   1   1   .   .   .   .   .   .   .   .   .   112   .   H     parsed_2g2b   1   
        69   1   2   .   .   .   .   .   .   .   .   .   108   .   O     parsed_2g2b   1   
        70   1   1   .   .   .   .   .   .   .   .   .   112   .   N     parsed_2g2b   1   
        70   1   2   .   .   .   .   .   .   .   .   .   108   .   O     parsed_2g2b   1   
        71   1   1   .   .   .   .   .   .   .   .   .   113   .   H     parsed_2g2b   1   
        71   1   2   .   .   .   .   .   .   .   .   .   109   .   O     parsed_2g2b   1   
        72   1   1   .   .   .   .   .   .   .   .   .   113   .   N     parsed_2g2b   1   
        72   1   2   .   .   .   .   .   .   .   .   .   109   .   O     parsed_2g2b   1   
        73   1   1   .   .   .   .   .   .   .   .   .   114   .   H     parsed_2g2b   1   
        73   1   2   .   .   .   .   .   .   .   .   .   110   .   O     parsed_2g2b   1   
        74   1   1   .   .   .   .   .   .   .   .   .   114   .   N     parsed_2g2b   1   
        74   1   2   .   .   .   .   .   .   .   .   .   110   .   O     parsed_2g2b   1   
        75   1   1   .   .   .   .   .   .   .   .   .   125   .   H     parsed_2g2b   1   
        75   1   2   .   .   .   .   .   .   .   .   .   121   .   O     parsed_2g2b   1   
        76   1   1   .   .   .   .   .   .   .   .   .   125   .   N     parsed_2g2b   1   
        76   1   2   .   .   .   .   .   .   .   .   .   121   .   O     parsed_2g2b   1   
        77   1   1   .   .   .   .   .   .   .   .   .   104   .   H     parsed_2g2b   1   
        77   1   2   .   .   .   .   .   .   .   .   .    68   .   O     parsed_2g2b   1   
        78   1   1   .   .   .   .   .   .   .   .   .   104   .   N     parsed_2g2b   1   
        78   1   2   .   .   .   .   .   .   .   .   .    68   .   O     parsed_2g2b   1   
        79   1   1   .   .   .   .   .   .   .   .   .    68   .   H     parsed_2g2b   1   
        79   1   2   .   .   .   .   .   .   .   .   .   104   .   O     parsed_2g2b   1   
        80   1   1   .   .   .   .   .   .   .   .   .    68   .   N     parsed_2g2b   1   
        80   1   2   .   .   .   .   .   .   .   .   .   104   .   O     parsed_2g2b   1   
        81   1   1   .   .   .   .   .   .   .   .   .   106   .   HH    parsed_2g2b   1   
        81   1   2   .   .   .   .   .   .   .   .   .    31   .   OD1   parsed_2g2b   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   .   .   .   .   .   0.0   0.0   2.3   parsed_2g2b   1   
         2   1   .   .   .   .   .   0.0   0.0   3.2   parsed_2g2b   1   
         3   1   .   .   .   .   .   0.0   0.0   2.3   parsed_2g2b   1   
         4   1   .   .   .   .   .   0.0   0.0   3.2   parsed_2g2b   1   
         5   1   .   .   .   .   .   0.0   0.0   2.3   parsed_2g2b   1   
         6   1   .   .   .   .   .   0.0   0.0   3.2   parsed_2g2b   1   
         7   1   .   .   .   .   .   0.0   0.0   2.3   parsed_2g2b   1   
         8   1   .   .   .   .   .   0.0   0.0   3.2   parsed_2g2b   1   
         9   1   .   .   .   .   .   0.0   0.0   2.3   parsed_2g2b   1   
        10   1   .   .   .   .   .   0.0   0.0   3.2   parsed_2g2b   1   
        11   1   .   .   .   .   .   0.0   0.0   2.3   parsed_2g2b   1   
        12   1   .   .   .   .   .   0.0   0.0   3.2   parsed_2g2b   1   
        13   1   .   .   .   .   .   0.0   0.0   2.3   parsed_2g2b   1   
        14   1   .   .   .   .   .   0.0   0.0   3.2   parsed_2g2b   1   
        15   1   .   .   .   .   .   0.0   0.0   2.3   parsed_2g2b   1   
        16   1   .   .   .   .   .   0.0   0.0   3.2   parsed_2g2b   1   
        17   1   .   .   .   .   .   0.0   0.0   2.3   parsed_2g2b   1   
        18   1   .   .   .   .   .   0.0   0.0   3.2   parsed_2g2b   1   
        19   1   .   .   .   .   .   0.0   0.0   2.3   parsed_2g2b   1   
        20   1   .   .   .   .   .   0.0   0.0   3.2   parsed_2g2b   1   
        21   1   .   .   .   .   .   0.0   0.0   2.3   parsed_2g2b   1   
        22   1   .   .   .   .   .   0.0   0.0   3.2   parsed_2g2b   1   
        23   1   .   .   .   .   .   0.0   0.0   2.3   parsed_2g2b   1   
        24   1   .   .   .   .   .   0.0   0.0   3.2   parsed_2g2b   1   
        25   1   .   .   .   .   .   0.0   0.0   2.3   parsed_2g2b   1   
        26   1   .   .   .   .   .   0.0   0.0   3.2   parsed_2g2b   1   
        27   1   .   .   .   .   .   0.0   0.0   2.3   parsed_2g2b   1   
        28   1   .   .   .   .   .   0.0   0.0   3.2   parsed_2g2b   1   
        29   1   .   .   .   .   .   0.0   0.0   2.3   parsed_2g2b   1   
        30   1   .   .   .   .   .   0.0   0.0   3.2   parsed_2g2b   1   
        31   1   .   .   .   .   .   0.0   0.0   2.3   parsed_2g2b   1   
        32   1   .   .   .   .   .   0.0   0.0   3.2   parsed_2g2b   1   
        33   1   .   .   .   .   .   0.0   0.0   2.3   parsed_2g2b   1   
        34   1   .   .   .   .   .   0.0   0.0   3.2   parsed_2g2b   1   
        35   1   .   .   .   .   .   0.0   0.0   2.3   parsed_2g2b   1   
        36   1   .   .   .   .   .   0.0   0.0   3.2   parsed_2g2b   1   
        37   1   .   .   .   .   .   0.0   0.0   2.3   parsed_2g2b   1   
        38   1   .   .   .   .   .   0.0   0.0   3.2   parsed_2g2b   1   
        39   1   .   .   .   .   .   0.0   0.0   2.3   parsed_2g2b   1   
        40   1   .   .   .   .   .   0.0   0.0   3.2   parsed_2g2b   1   
        41   1   .   .   .   .   .   0.0   0.0   2.3   parsed_2g2b   1   
        42   1   .   .   .   .   .   0.0   0.0   3.2   parsed_2g2b   1   
        43   1   .   .   .   .   .   0.0   0.0   2.3   parsed_2g2b   1   
        44   1   .   .   .   .   .   0.0   0.0   3.2   parsed_2g2b   1   
        45   1   .   .   .   .   .   0.0   0.0   2.3   parsed_2g2b   1   
        46   1   .   .   .   .   .   0.0   0.0   3.2   parsed_2g2b   1   
        47   1   .   .   .   .   .   0.0   0.0   2.3   parsed_2g2b   1   
        48   1   .   .   .   .   .   0.0   0.0   3.2   parsed_2g2b   1   
        49   1   .   .   .   .   .   0.0   0.0   2.3   parsed_2g2b   1   
        50   1   .   .   .   .   .   0.0   0.0   3.2   parsed_2g2b   1   
        51   1   .   .   .   .   .   0.0   0.0   2.3   parsed_2g2b   1   
        52   1   .   .   .   .   .   0.0   0.0   3.2   parsed_2g2b   1   
        53   1   .   .   .   .   .   0.0   0.0   2.3   parsed_2g2b   1   
        54   1   .   .   .   .   .   0.0   0.0   3.2   parsed_2g2b   1   
        55   1   .   .   .   .   .   0.0   0.0   2.3   parsed_2g2b   1   
        56   1   .   .   .   .   .   0.0   0.0   3.2   parsed_2g2b   1   
        57   1   .   .   .   .   .   0.0   0.0   2.3   parsed_2g2b   1   
        58   1   .   .   .   .   .   0.0   0.0   3.2   parsed_2g2b   1   
        59   1   .   .   .   .   .   0.0   0.0   2.3   parsed_2g2b   1   
        60   1   .   .   .   .   .   0.0   0.0   3.2   parsed_2g2b   1   
        61   1   .   .   .   .   .   0.0   0.0   2.3   parsed_2g2b   1   
        62   1   .   .   .   .   .   0.0   0.0   3.2   parsed_2g2b   1   
        63   1   .   .   .   .   .   0.0   0.0   2.3   parsed_2g2b   1   
        64   1   .   .   .   .   .   0.0   0.0   3.2   parsed_2g2b   1   
        65   1   .   .   .   .   .   0.0   0.0   2.3   parsed_2g2b   1   
        66   1   .   .   .   .   .   0.0   0.0   3.2   parsed_2g2b   1   
        67   1   .   .   .   .   .   0.0   0.0   2.3   parsed_2g2b   1   
        68   1   .   .   .   .   .   0.0   0.0   3.2   parsed_2g2b   1   
        69   1   .   .   .   .   .   0.0   0.0   2.3   parsed_2g2b   1   
        70   1   .   .   .   .   .   0.0   0.0   3.2   parsed_2g2b   1   
        71   1   .   .   .   .   .   0.0   0.0   2.3   parsed_2g2b   1   
        72   1   .   .   .   .   .   0.0   0.0   3.2   parsed_2g2b   1   
        73   1   .   .   .   .   .   0.0   0.0   2.3   parsed_2g2b   1   
        74   1   .   .   .   .   .   0.0   0.0   3.2   parsed_2g2b   1   
        75   1   .   .   .   .   .   0.0   0.0   2.3   parsed_2g2b   1   
        76   1   .   .   .   .   .   0.0   0.0   3.2   parsed_2g2b   1   
        77   1   .   .   .   .   .   0.0   0.0   2.3   parsed_2g2b   1   
        78   1   .   .   .   .   .   0.0   0.0   3.2   parsed_2g2b   1   
        79   1   .   .   .   .   .   0.0   0.0   2.3   parsed_2g2b   1   
        80   1   .   .   .   .   .   0.0   0.0   3.2   parsed_2g2b   1   
        81   1   .   .   .   .   .   0.0   0.0   2.5   parsed_2g2b   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   
;
H-bonds constraints
GLN23
;
     2   1     5   7   parsed_2g2b   1   
         2    GLU24      8   1     8   7   parsed_2g2b   1   
         3    GLU25     11   1    11   7   parsed_2g2b   1   
         4    ARG26     14   1    14   7   parsed_2g2b   1   
         5    LEU27     17   1    17   7   parsed_2g2b   1   
         6    ASP28     20   1    20   7   parsed_2g2b   1   
         7    GLU29     23   1    23   7   parsed_2g2b   1   
         8    ILE30     26   1    26   7   parsed_2g2b   1   
         9    ASN31     29   1    29   7   parsed_2g2b   1   
        10    LYS32     32   1    32   7   parsed_2g2b   1   
        11    GLN33     35   1    35   7   parsed_2g2b   1   
        12    PHE34     38   1    38   7   parsed_2g2b   1   
        13    LEU35     41   1    41   7   parsed_2g2b   1   
        14    GLY52     44   1    44   7   parsed_2g2b   1   
        15    PHE53     47   1    47   7   parsed_2g2b   1   
        16    LYS54     50   1    50   7   parsed_2g2b   1   
        17    GLU55     53   1    53   7   parsed_2g2b   1   
        18    LYS56     56   1    56   7   parsed_2g2b   1   
        19    TYR57     59   1    59   7   parsed_2g2b   1   
        20    MET58     62   1    62   7   parsed_2g2b   1   
        21    LYS74     65   1    65   7   parsed_2g2b   1   
        22    ARG75     68   1    68   7   parsed_2g2b   1   
        23    MET76     71   1    71   7   parsed_2g2b   1   
        24    LEU77     74   1    74   7   parsed_2g2b   1   
        25    GLU78     77   1    77   7   parsed_2g2b   1   
        26    LYS79     80   1    80   7   parsed_2g2b   1   
        27    LYS90     83   1    83   7   parsed_2g2b   1   
        28    LYS91     86   1    86   7   parsed_2g2b   1   
        29    LEU92     89   1    89   7   parsed_2g2b   1   
        30    ILE93     92   1    92   7   parsed_2g2b   1   
        31    GLY94     95   1    95   7   parsed_2g2b   1   
        32    GLU95     98   1    98   7   parsed_2g2b   1   
        33    VAL96    101   1   101   7   parsed_2g2b   1   
        34    SER97    104   1   104   7   parsed_2g2b   1   
        35    MET112   107   1   107   8   parsed_2g2b   1   
        36    MET113   110   1   110   8   parsed_2g2b   1   
        37    LEU114   113   1   113   8   parsed_2g2b   1   
        38    LEU125   116   1   116   8   parsed_2g2b   1   
        39    PHE104   119   1   119   8   parsed_2g2b   1   
        40    ILE68    122   1   122   7   parsed_2g2b   1   
        41    TYR106   125   1   125   8   parsed_2g2b   1   
    stop_

save_





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