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 item_count
31358 1e75 4846 cing 2-parsed STAR entry full 94


data_1e75_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1e75 
    _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_1e75   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1e75 
    _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   1e75   "Master copy"    parsed_1e75   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1e75 
    _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   1e75.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"     0   parsed_1e75   1   
        1   1e75.mr   .   .    DYANA/DIANA   2    distance                  NOE                 simple             64   parsed_1e75   1   
        1   1e75.mr   .   .    n/a           3    comment                  "Not applicable"    "Not applicable"     0   parsed_1e75   1   
        1   1e75.mr   .   .    DYANA/DIANA   4   "dihedral angle"          "Not applicable"    "Not applicable"    30   parsed_1e75   1   
        1   1e75.mr   .   .   "MR format"    5   "nomenclature mapping"    "Not applicable"    "Not applicable"     0   parsed_1e75   1   
    stop_

save_


save_MR_file_comment_1
    _Org_constr_file_comment.Sf_category         org_constr_file_comment 
    _Org_constr_file_comment.Entry_ID            parsed_1e75 
    _Org_constr_file_comment.ID                  1 
    _Org_constr_file_comment.Constraint_file_ID  1 
    _Org_constr_file_comment.Block_ID            1 
    _Org_constr_file_comment.Details            "Generated by Wattos" 
    _Org_constr_file_comment.Comment            
;
*HEADER    PEPTIDE TOXIN                           24-AUG-00   1E75
*TITLE     NMR SOLUTION STRUCTURE OF ALPHA-CONOTOXIN IM1 POINT
*TITLE    2 MUTATION VARIANT R7L
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: ALPHA-CONOTOXIN IM1(R7L);
*COMPND   3 CHAIN: A;
*COMPND   4 MUTATION: YES
*SOURCE    MOL_ID: 1;
*SOURCE   2 SYNTHETIC: YES;
*SOURCE   3 ORGANISM_SCIENTIFIC: CONUS IMPERIALIS;
*SOURCE   4 TISSUE: VENOM;
*SOURCE   5 OTHER_DETAILS: SYNTHESIZED USING STANDARD FMOC CHEMISTRY.
*SOURCE   6  IM1 SEQUENCE FOUND NATURALLY IN CONUS IMPERIALIS VENOM
*KEYWDS    PEPTIDE TOXIN, NEUROTOXIN, NEURONAL NICOTINIC ACETYLCHOLINE
*KEYWDS   2 RECEPTOR ANTAGONIST, ALPHA-CONOTOXIN, NMR SOLUTION
*KEYWDS   3 STRUCTURE
*EXPDTA    NMR, 20 STRUCTURES
*AUTHOR    J.P.ROGERS,P.LUGINBUHL,K.PEMBERTON,P.HARTY,D.E.WEMMER,
*AUTHOR   2 R.C.STEVENS




Upper Distance Constraints
==========================
;

save_


save_DYANA/DIANA_distance_constraints_2
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_1e75 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type     NOE 
    _Distance_constraint_list.Constraint_file_ID  1 
    _Distance_constraint_list.Block_ID            2 
    _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_1e75   1   
         2   1   .   .   .   parsed_1e75   1   
         3   1   .   .   .   parsed_1e75   1   
         4   1   .   .   .   parsed_1e75   1   
         5   1   .   .   .   parsed_1e75   1   
         6   1   .   .   .   parsed_1e75   1   
         7   1   .   .   .   parsed_1e75   1   
         8   1   .   .   .   parsed_1e75   1   
         9   1   .   .   .   parsed_1e75   1   
        10   1   .   .   .   parsed_1e75   1   
        11   1   .   .   .   parsed_1e75   1   
        12   1   .   .   .   parsed_1e75   1   
        13   1   .   .   .   parsed_1e75   1   
        14   1   .   .   .   parsed_1e75   1   
        15   1   .   .   .   parsed_1e75   1   
        16   1   .   .   .   parsed_1e75   1   
        17   1   .   .   .   parsed_1e75   1   
        18   1   .   .   .   parsed_1e75   1   
        19   1   .   .   .   parsed_1e75   1   
        20   1   .   .   .   parsed_1e75   1   
        21   1   .   .   .   parsed_1e75   1   
        22   1   .   .   .   parsed_1e75   1   
        23   1   .   .   .   parsed_1e75   1   
        24   1   .   .   .   parsed_1e75   1   
        25   1   .   .   .   parsed_1e75   1   
        26   1   .   .   .   parsed_1e75   1   
        27   1   .   .   .   parsed_1e75   1   
        28   1   .   .   .   parsed_1e75   1   
        29   1   .   .   .   parsed_1e75   1   
        30   1   .   .   .   parsed_1e75   1   
        31   1   .   .   .   parsed_1e75   1   
        32   1   .   .   .   parsed_1e75   1   
        33   1   .   .   .   parsed_1e75   1   
        34   1   .   .   .   parsed_1e75   1   
        35   1   .   .   .   parsed_1e75   1   
        36   1   .   .   .   parsed_1e75   1   
        37   1   .   .   .   parsed_1e75   1   
        38   1   .   .   .   parsed_1e75   1   
        39   1   .   .   .   parsed_1e75   1   
        40   1   .   .   .   parsed_1e75   1   
        41   1   .   .   .   parsed_1e75   1   
        42   1   .   .   .   parsed_1e75   1   
        43   1   .   .   .   parsed_1e75   1   
        44   1   .   .   .   parsed_1e75   1   
        45   1   .   .   .   parsed_1e75   1   
        46   1   .   .   .   parsed_1e75   1   
        47   1   .   .   .   parsed_1e75   1   
        48   1   .   .   .   parsed_1e75   1   
        49   1   .   .   .   parsed_1e75   1   
        50   1   .   .   .   parsed_1e75   1   
        51   1   .   .   .   parsed_1e75   1   
        52   1   .   .   .   parsed_1e75   1   
        53   1   .   .   .   parsed_1e75   1   
        54   1   .   .   .   parsed_1e75   1   
        55   1   .   .   .   parsed_1e75   1   
        56   1   .   .   .   parsed_1e75   1   
        57   1   .   .   .   parsed_1e75   1   
        58   1   .   .   .   parsed_1e75   1   
        59   1   .   .   .   parsed_1e75   1   
        60   1   .   .   .   parsed_1e75   1   
        61   1   .   .   .   parsed_1e75   1   
        62   1   .   .   .   parsed_1e75   1   
        63   1   .   .   .   parsed_1e75   1   
        64   1   .   .   .   parsed_1e75   1   
    stop_


    loop_
        _Dist_constraint.Tree_node_member_constraint_ID 
        _Dist_constraint.Tree_node_member_node_ID 
        _Dist_constraint.Constraint_tree_node_member_ID 
        _Dist_constraint.Assembly_atom_ID 
        _Dist_constraint.Entity_assembly_ID 
        _Dist_constraint.Entity_ID 
        _Dist_constraint.Comp_index_ID 
        _Dist_constraint.Seq_ID 
        _Dist_constraint.Comp_ID 
        _Dist_constraint.Atom_ID 
        _Dist_constraint.Resonance_ID 
        _Dist_constraint.Auth_asym_ID 
        _Dist_constraint.Auth_seq_ID 
        _Dist_constraint.Auth_comp_ID 
        _Dist_constraint.Auth_atom_ID 
        _Dist_constraint.Entry_ID 
        _Dist_constraint.Distance_constraint_list_ID 

         1   1   1   .   .   .   .   .   .   .   .   .    1   GLY   HA1   parsed_1e75   1   
         1   1   2   .   .   .   .   .   .   .   .   .    2   CYS   HN    parsed_1e75   1   
         2   1   1   .   .   .   .   .   .   .   .   .    1   GLY   HA2   parsed_1e75   1   
         2   1   2   .   .   .   .   .   .   .   .   .    2   CYS   HN    parsed_1e75   1   
         3   1   1   .   .   .   .   .   .   .   .   .    1   GLY   QA    parsed_1e75   1   
         3   1   2   .   .   .   .   .   .   .   .   .    3   CYS   HN    parsed_1e75   1   
         4   1   1   .   .   .   .   .   .   .   .   .    2   CYS   HN    parsed_1e75   1   
         4   1   2   .   .   .   .   .   .   .   .   .    2   CYS   HB2   parsed_1e75   1   
         5   1   1   .   .   .   .   .   .   .   .   .    2   CYS   HN    parsed_1e75   1   
         5   1   2   .   .   .   .   .   .   .   .   .    2   CYS   HB3   parsed_1e75   1   
         6   1   1   .   .   .   .   .   .   .   .   .    2   CYS   HN    parsed_1e75   1   
         6   1   2   .   .   .   .   .   .   .   .   .    3   CYS   HN    parsed_1e75   1   
         7   1   1   .   .   .   .   .   .   .   .   .    2   CYS   HA    parsed_1e75   1   
         7   1   2   .   .   .   .   .   .   .   .   .    8   CYS   QB    parsed_1e75   1   
         8   1   1   .   .   .   .   .   .   .   .   .    2   CYS   QB    parsed_1e75   1   
         8   1   2   .   .   .   .   .   .   .   .   .    3   CYS   HN    parsed_1e75   1   
         9   1   1   .   .   .   .   .   .   .   .   .    2   CYS   QB    parsed_1e75   1   
         9   1   2   .   .   .   .   .   .   .   .   .   12   CYS   HA    parsed_1e75   1   
        10   1   1   .   .   .   .   .   .   .   .   .    3   CYS   HN    parsed_1e75   1   
        10   1   2   .   .   .   .   .   .   .   .   .    3   CYS   HB2   parsed_1e75   1   
        11   1   1   .   .   .   .   .   .   .   .   .    3   CYS   HN    parsed_1e75   1   
        11   1   2   .   .   .   .   .   .   .   .   .    4   SER   HN    parsed_1e75   1   
        12   1   1   .   .   .   .   .   .   .   .   .    3   CYS   HN    parsed_1e75   1   
        12   1   2   .   .   .   .   .   .   .   .   .    9   ALA   HA    parsed_1e75   1   
        13   1   1   .   .   .   .   .   .   .   .   .    3   CYS   HA    parsed_1e75   1   
        13   1   2   .   .   .   .   .   .   .   .   .    3   CYS   HB2   parsed_1e75   1   
        14   1   1   .   .   .   .   .   .   .   .   .    3   CYS   HA    parsed_1e75   1   
        14   1   2   .   .   .   .   .   .   .   .   .    3   CYS   HB3   parsed_1e75   1   
        15   1   1   .   .   .   .   .   .   .   .   .    3   CYS   HA    parsed_1e75   1   
        15   1   2   .   .   .   .   .   .   .   .   .    9   ALA   HA    parsed_1e75   1   
        16   1   1   .   .   .   .   .   .   .   .   .    3   CYS   HA    parsed_1e75   1   
        16   1   2   .   .   .   .   .   .   .   .   .   12   CYS   HN    parsed_1e75   1   
        17   1   1   .   .   .   .   .   .   .   .   .    3   CYS   HB2   parsed_1e75   1   
        17   1   2   .   .   .   .   .   .   .   .   .    4   SER   HN    parsed_1e75   1   
        18   1   1   .   .   .   .   .   .   .   .   .    4   SER   HN    parsed_1e75   1   
        18   1   2   .   .   .   .   .   .   .   .   .    4   SER   HB2   parsed_1e75   1   
        19   1   1   .   .   .   .   .   .   .   .   .    4   SER   HN    parsed_1e75   1   
        19   1   2   .   .   .   .   .   .   .   .   .    4   SER   HB3   parsed_1e75   1   
        20   1   1   .   .   .   .   .   .   .   .   .    4   SER   HA    parsed_1e75   1   
        20   1   2   .   .   .   .   .   .   .   .   .    4   SER   HB2   parsed_1e75   1   
        21   1   1   .   .   .   .   .   .   .   .   .    4   SER   HA    parsed_1e75   1   
        21   1   2   .   .   .   .   .   .   .   .   .    4   SER   HB3   parsed_1e75   1   
        22   1   1   .   .   .   .   .   .   .   .   .    5   ASP   HN    parsed_1e75   1   
        22   1   2   .   .   .   .   .   .   .   .   .    5   ASP   HB2   parsed_1e75   1   
        23   1   1   .   .   .   .   .   .   .   .   .    5   ASP   HN    parsed_1e75   1   
        23   1   2   .   .   .   .   .   .   .   .   .    5   ASP   HB3   parsed_1e75   1   
        24   1   1   .   .   .   .   .   .   .   .   .    5   ASP   HN    parsed_1e75   1   
        24   1   2   .   .   .   .   .   .   .   .   .    9   ALA   QB    parsed_1e75   1   
        25   1   1   .   .   .   .   .   .   .   .   .    5   ASP   HA    parsed_1e75   1   
        25   1   2   .   .   .   .   .   .   .   .   .    5   ASP   HB2   parsed_1e75   1   
        26   1   1   .   .   .   .   .   .   .   .   .    5   ASP   HA    parsed_1e75   1   
        26   1   2   .   .   .   .   .   .   .   .   .    5   ASP   HB3   parsed_1e75   1   
        27   1   1   .   .   .   .   .   .   .   .   .    5   ASP   HA    parsed_1e75   1   
        27   1   2   .   .   .   .   .   .   .   .   .    6   PRO   QD    parsed_1e75   1   
        28   1   1   .   .   .   .   .   .   .   .   .    6   PRO   HA    parsed_1e75   1   
        28   1   2   .   .   .   .   .   .   .   .   .    7   LEU   HN    parsed_1e75   1   
        29   1   1   .   .   .   .   .   .   .   .   .    6   PRO   HA    parsed_1e75   1   
        29   1   2   .   .   .   .   .   .   .   .   .    8   CYS   HN    parsed_1e75   1   
        30   1   1   .   .   .   .   .   .   .   .   .    6   PRO   HA    parsed_1e75   1   
        30   1   2   .   .   .   .   .   .   .   .   .    9   ALA   HN    parsed_1e75   1   
        31   1   1   .   .   .   .   .   .   .   .   .    6   PRO   HA    parsed_1e75   1   
        31   1   2   .   .   .   .   .   .   .   .   .    9   ALA   QB    parsed_1e75   1   
        32   1   1   .   .   .   .   .   .   .   .   .    6   PRO   HD2   parsed_1e75   1   
        32   1   2   .   .   .   .   .   .   .   .   .    7   LEU   HN    parsed_1e75   1   
        33   1   1   .   .   .   .   .   .   .   .   .    6   PRO   HD3   parsed_1e75   1   
        33   1   2   .   .   .   .   .   .   .   .   .    7   LEU   HN    parsed_1e75   1   
        34   1   1   .   .   .   .   .   .   .   .   .    6   PRO   QD    parsed_1e75   1   
        34   1   2   .   .   .   .   .   .   .   .   .    7   LEU   HN    parsed_1e75   1   
        35   1   1   .   .   .   .   .   .   .   .   .    7   LEU   HN    parsed_1e75   1   
        35   1   2   .   .   .   .   .   .   .   .   .    7   LEU   HG    parsed_1e75   1   
        36   1   1   .   .   .   .   .   .   .   .   .    7   LEU   HN    parsed_1e75   1   
        36   1   2   .   .   .   .   .   .   .   .   .    8   CYS   HN    parsed_1e75   1   
        37   1   1   .   .   .   .   .   .   .   .   .    7   LEU   HA    parsed_1e75   1   
        37   1   2   .   .   .   .   .   .   .   .   .    7   LEU   HG    parsed_1e75   1   
        38   1   1   .   .   .   .   .   .   .   .   .    7   LEU   HA    parsed_1e75   1   
        38   1   2   .   .   .   .   .   .   .   .   .    7   LEU   QD1   parsed_1e75   1   
        39   1   1   .   .   .   .   .   .   .   .   .    7   LEU   HA    parsed_1e75   1   
        39   1   2   .   .   .   .   .   .   .   .   .    7   LEU   QD2   parsed_1e75   1   
        40   1   1   .   .   .   .   .   .   .   .   .    8   CYS   HN    parsed_1e75   1   
        40   1   2   .   .   .   .   .   .   .   .   .    8   CYS   HB2   parsed_1e75   1   
        41   1   1   .   .   .   .   .   .   .   .   .    8   CYS   HN    parsed_1e75   1   
        41   1   2   .   .   .   .   .   .   .   .   .    8   CYS   HB3   parsed_1e75   1   
        42   1   1   .   .   .   .   .   .   .   .   .    8   CYS   HN    parsed_1e75   1   
        42   1   2   .   .   .   .   .   .   .   .   .    8   CYS   QB    parsed_1e75   1   
        43   1   1   .   .   .   .   .   .   .   .   .    8   CYS   HN    parsed_1e75   1   
        43   1   2   .   .   .   .   .   .   .   .   .    9   ALA   HN    parsed_1e75   1   
        44   1   1   .   .   .   .   .   .   .   .   .    8   CYS   HA    parsed_1e75   1   
        44   1   2   .   .   .   .   .   .   .   .   .    8   CYS   HB2   parsed_1e75   1   
        45   1   1   .   .   .   .   .   .   .   .   .    8   CYS   HA    parsed_1e75   1   
        45   1   2   .   .   .   .   .   .   .   .   .    8   CYS   HB3   parsed_1e75   1   
        46   1   1   .   .   .   .   .   .   .   .   .    8   CYS   HA    parsed_1e75   1   
        46   1   2   .   .   .   .   .   .   .   .   .    8   CYS   QB    parsed_1e75   1   
        47   1   1   .   .   .   .   .   .   .   .   .    8   CYS   HA    parsed_1e75   1   
        47   1   2   .   .   .   .   .   .   .   .   .    9   ALA   HN    parsed_1e75   1   
        48   1   1   .   .   .   .   .   .   .   .   .    8   CYS   HA    parsed_1e75   1   
        48   1   2   .   .   .   .   .   .   .   .   .   10   TRP   HD1   parsed_1e75   1   
        49   1   1   .   .   .   .   .   .   .   .   .    9   ALA   HN    parsed_1e75   1   
        49   1   2   .   .   .   .   .   .   .   .   .   10   TRP   HN    parsed_1e75   1   
        50   1   1   .   .   .   .   .   .   .   .   .    9   ALA   HA    parsed_1e75   1   
        50   1   2   .   .   .   .   .   .   .   .   .   11   ARG   HN    parsed_1e75   1   
        51   1   1   .   .   .   .   .   .   .   .   .    9   ALA   HA    parsed_1e75   1   
        51   1   2   .   .   .   .   .   .   .   .   .   12   CYS   HN    parsed_1e75   1   
        52   1   1   .   .   .   .   .   .   .   .   .   10   TRP   HN    parsed_1e75   1   
        52   1   2   .   .   .   .   .   .   .   .   .   10   TRP   HB2   parsed_1e75   1   
        53   1   1   .   .   .   .   .   .   .   .   .   10   TRP   HN    parsed_1e75   1   
        53   1   2   .   .   .   .   .   .   .   .   .   10   TRP   HB3   parsed_1e75   1   
        54   1   1   .   .   .   .   .   .   .   .   .   10   TRP   HN    parsed_1e75   1   
        54   1   2   .   .   .   .   .   .   .   .   .   10   TRP   QB    parsed_1e75   1   
        55   1   1   .   .   .   .   .   .   .   .   .   10   TRP   HN    parsed_1e75   1   
        55   1   2   .   .   .   .   .   .   .   .   .   10   TRP   HD1   parsed_1e75   1   
        56   1   1   .   .   .   .   .   .   .   .   .   10   TRP   HN    parsed_1e75   1   
        56   1   2   .   .   .   .   .   .   .   .   .   11   ARG   HN    parsed_1e75   1   
        57   1   1   .   .   .   .   .   .   .   .   .   10   TRP   HA    parsed_1e75   1   
        57   1   2   .   .   .   .   .   .   .   .   .   10   TRP   HD1   parsed_1e75   1   
        58   1   1   .   .   .   .   .   .   .   .   .   10   TRP   HA    parsed_1e75   1   
        58   1   2   .   .   .   .   .   .   .   .   .   11   ARG   HN    parsed_1e75   1   
        59   1   1   .   .   .   .   .   .   .   .   .   11   ARG   HN    parsed_1e75   1   
        59   1   2   .   .   .   .   .   .   .   .   .   11   ARG   QG    parsed_1e75   1   
        60   1   1   .   .   .   .   .   .   .   .   .   11   ARG   HN    parsed_1e75   1   
        60   1   2   .   .   .   .   .   .   .   .   .   12   CYS   HN    parsed_1e75   1   
        61   1   1   .   .   .   .   .   .   .   .   .   11   ARG   HA    parsed_1e75   1   
        61   1   2   .   .   .   .   .   .   .   .   .   12   CYS   HN    parsed_1e75   1   
        62   1   1   .   .   .   .   .   .   .   .   .   11   ARG   QB    parsed_1e75   1   
        62   1   2   .   .   .   .   .   .   .   .   .   11   ARG   HE    parsed_1e75   1   
        63   1   1   .   .   .   .   .   .   .   .   .   12   CYS   HN    parsed_1e75   1   
        63   1   2   .   .   .   .   .   .   .   .   .   12   CYS   QB    parsed_1e75   1   
        64   1   1   .   .   .   .   .   .   .   .   .   12   CYS   HN    parsed_1e75   1   
        64   1   2   .   .   .   .   .   .   .   .   .   13   NH2   2HN   parsed_1e75   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   .   .   .   .   .   .   .   3.02   parsed_1e75   1   
         2   1   .   .   .   .   .   .   .   3.02   parsed_1e75   1   
         3   1   .   .   .   .   .   .   .   5.17   parsed_1e75   1   
         4   1   .   .   .   .   .   .   .   3.33   parsed_1e75   1   
         5   1   .   .   .   .   .   .   .   3.33   parsed_1e75   1   
         6   1   .   .   .   .   .   .   .   3.52   parsed_1e75   1   
         7   1   .   .   .   .   .   .   .   4.99   parsed_1e75   1   
         8   1   .   .   .   .   .   .   .   4.05   parsed_1e75   1   
         9   1   .   .   .   .   .   .   .   4.74   parsed_1e75   1   
        10   1   .   .   .   .   .   .   .   2.90   parsed_1e75   1   
        11   1   .   .   .   .   .   .   .   3.24   parsed_1e75   1   
        12   1   .   .   .   .   .   .   .   4.69   parsed_1e75   1   
        13   1   .   .   .   .   .   .   .   2.93   parsed_1e75   1   
        14   1   .   .   .   .   .   .   .   2.90   parsed_1e75   1   
        15   1   .   .   .   .   .   .   .   2.62   parsed_1e75   1   
        16   1   .   .   .   .   .   .   .   4.01   parsed_1e75   1   
        17   1   .   .   .   .   .   .   .   4.82   parsed_1e75   1   
        18   1   .   .   .   .   .   .   .   3.73   parsed_1e75   1   
        19   1   .   .   .   .   .   .   .   3.73   parsed_1e75   1   
        20   1   .   .   .   .   .   .   .   2.40   parsed_1e75   1   
        21   1   .   .   .   .   .   .   .   2.40   parsed_1e75   1   
        22   1   .   .   .   .   .   .   .   3.45   parsed_1e75   1   
        23   1   .   .   .   .   .   .   .   3.14   parsed_1e75   1   
        24   1   .   .   .   .   .   .   .   6.53   parsed_1e75   1   
        25   1   .   .   .   .   .   .   .   2.49   parsed_1e75   1   
        26   1   .   .   .   .   .   .   .   2.40   parsed_1e75   1   
        27   1   .   .   .   .   .   .   .   3.52   parsed_1e75   1   
        28   1   .   .   .   .   .   .   .   3.33   parsed_1e75   1   
        29   1   .   .   .   .   .   .   .   3.52   parsed_1e75   1   
        30   1   .   .   .   .   .   .   .   3.95   parsed_1e75   1   
        31   1   .   .   .   .   .   .   .   5.16   parsed_1e75   1   
        32   1   .   .   .   .   .   .   .   5.50   parsed_1e75   1   
        33   1   .   .   .   .   .   .   .   5.50   parsed_1e75   1   
        34   1   .   .   .   .   .   .   .   5.28   parsed_1e75   1   
        35   1   .   .   .   .   .   .   .   3.45   parsed_1e75   1   
        36   1   .   .   .   .   .   .   .   2.74   parsed_1e75   1   
        37   1   .   .   .   .   .   .   .   4.11   parsed_1e75   1   
        38   1   .   .   .   .   .   .   .   5.97   parsed_1e75   1   
        39   1   .   .   .   .   .   .   .   5.97   parsed_1e75   1   
        40   1   .   .   .   .   .   .   .   3.83   parsed_1e75   1   
        41   1   .   .   .   .   .   .   .   3.83   parsed_1e75   1   
        42   1   .   .   .   .   .   .   .   3.39   parsed_1e75   1   
        43   1   .   .   .   .   .   .   .   2.52   parsed_1e75   1   
        44   1   .   .   .   .   .   .   .   2.99   parsed_1e75   1   
        45   1   .   .   .   .   .   .   .   2.99   parsed_1e75   1   
        46   1   .   .   .   .   .   .   .   2.58   parsed_1e75   1   
        47   1   .   .   .   .   .   .   .   3.27   parsed_1e75   1   
        48   1   .   .   .   .   .   .   .   5.50   parsed_1e75   1   
        49   1   .   .   .   .   .   .   .   3.52   parsed_1e75   1   
        50   1   .   .   .   .   .   .   .   3.76   parsed_1e75   1   
        51   1   .   .   .   .   .   .   .   4.04   parsed_1e75   1   
        52   1   .   .   .   .   .   .   .   3.33   parsed_1e75   1   
        53   1   .   .   .   .   .   .   .   3.33   parsed_1e75   1   
        54   1   .   .   .   .   .   .   .   3.07   parsed_1e75   1   
        55   1   .   .   .   .   .   .   .   2.99   parsed_1e75   1   
        56   1   .   .   .   .   .   .   .   3.02   parsed_1e75   1   
        57   1   .   .   .   .   .   .   .   4.63   parsed_1e75   1   
        58   1   .   .   .   .   .   .   .   3.36   parsed_1e75   1   
        59   1   .   .   .   .   .   .   .   5.82   parsed_1e75   1   
        60   1   .   .   .   .   .   .   .   3.02   parsed_1e75   1   
        61   1   .   .   .   .   .   .   .   3.42   parsed_1e75   1   
        62   1   .   .   .   .   .   .   .   6.38   parsed_1e75   1   
        63   1   .   .   .   .   .   .   .   3.86   parsed_1e75   1   
        64   1   .   .   .   .   .   .   .   4.72   parsed_1e75   1   
    stop_

save_


save_MR_file_comment_3
    _Org_constr_file_comment.Sf_category         org_constr_file_comment 
    _Org_constr_file_comment.Entry_ID            parsed_1e75 
    _Org_constr_file_comment.ID                  2 
    _Org_constr_file_comment.Constraint_file_ID  1 
    _Org_constr_file_comment.Block_ID            3 
    _Org_constr_file_comment.Details            "Generated by Wattos" 
    _Org_constr_file_comment.Comment            
;
Dihedral Angle Constraints
==========================
;

save_


save_DYANA/DIANA_dihedral_4
    _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints 
    _Torsion_angle_constraint_list.Entry_ID            parsed_1e75 
    _Torsion_angle_constraint_list.ID                  1 
    _Torsion_angle_constraint_list.Constraint_file_ID  1 
    _Torsion_angle_constraint_list.Block_ID            4 
    _Torsion_angle_constraint_list.Details            "Generated by Wattos" 

    loop_
        _Torsion_angle_constraint.ID 
        _Torsion_angle_constraint.Torsion_angle_name 
        _Torsion_angle_constraint.Assembly_atom_ID_1 
        _Torsion_angle_constraint.Entity_assembly_ID_1 
        _Torsion_angle_constraint.Entity_ID_1 
        _Torsion_angle_constraint.Comp_index_ID_1 
        _Torsion_angle_constraint.Seq_ID_1 
        _Torsion_angle_constraint.Comp_ID_1 
        _Torsion_angle_constraint.Atom_ID_1 
        _Torsion_angle_constraint.Resonance_ID_1 
        _Torsion_angle_constraint.Assembly_atom_ID_2 
        _Torsion_angle_constraint.Entity_assembly_ID_2 
        _Torsion_angle_constraint.Entity_ID_2 
        _Torsion_angle_constraint.Comp_index_ID_2 
        _Torsion_angle_constraint.Seq_ID_2 
        _Torsion_angle_constraint.Comp_ID_2 
        _Torsion_angle_constraint.Atom_ID_2 
        _Torsion_angle_constraint.Resonance_ID_2 
        _Torsion_angle_constraint.Assembly_atom_ID_3 
        _Torsion_angle_constraint.Entity_assembly_ID_3 
        _Torsion_angle_constraint.Entity_ID_3 
        _Torsion_angle_constraint.Comp_index_ID_3 
        _Torsion_angle_constraint.Seq_ID_3 
        _Torsion_angle_constraint.Comp_ID_3 
        _Torsion_angle_constraint.Atom_ID_3 
        _Torsion_angle_constraint.Resonance_ID_3 
        _Torsion_angle_constraint.Assembly_atom_ID_4 
        _Torsion_angle_constraint.Entity_assembly_ID_4 
        _Torsion_angle_constraint.Entity_ID_4 
        _Torsion_angle_constraint.Comp_index_ID_4 
        _Torsion_angle_constraint.Seq_ID_4 
        _Torsion_angle_constraint.Comp_ID_4 
        _Torsion_angle_constraint.Atom_ID_4 
        _Torsion_angle_constraint.Resonance_ID_4 
        _Torsion_angle_constraint.Angle_lower_bound_val 
        _Torsion_angle_constraint.Angle_upper_bound_val 
        _Torsion_angle_constraint.Source_experiment_ID 
        _Torsion_angle_constraint.Auth_asym_ID_1 
        _Torsion_angle_constraint.Auth_seq_ID_1 
        _Torsion_angle_constraint.Auth_comp_ID_1 
        _Torsion_angle_constraint.Auth_atom_ID_1 
        _Torsion_angle_constraint.Auth_asym_ID_2 
        _Torsion_angle_constraint.Auth_seq_ID_2 
        _Torsion_angle_constraint.Auth_comp_ID_2 
        _Torsion_angle_constraint.Auth_atom_ID_2 
        _Torsion_angle_constraint.Auth_asym_ID_3 
        _Torsion_angle_constraint.Auth_seq_ID_3 
        _Torsion_angle_constraint.Auth_comp_ID_3 
        _Torsion_angle_constraint.Auth_atom_ID_3 
        _Torsion_angle_constraint.Auth_asym_ID_4 
        _Torsion_angle_constraint.Auth_seq_ID_4 
        _Torsion_angle_constraint.Auth_comp_ID_4 
        _Torsion_angle_constraint.Auth_atom_ID_4 
        _Torsion_angle_constraint.Entry_ID 
        _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 

         1   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -185.0   -35.0   .   .    2   CYS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1e75   1   
         2   CHI1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -255.0   -25.0   .   .    2   CYS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1e75   1   
         3   CHI1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -45.0   295.0   .   .    2   CYS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1e75   1   
         4   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -65.0   -45.0   .   .    3   CYS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1e75   1   
         5   CHI1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -335.0   -25.0   .   .    3   CYS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1e75   1   
         6   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -155.0   -75.0   .   .    4   SER   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1e75   1   
         7   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -95.0   215.0   .   .    4   SER   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1e75   1   
         8   CHI1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     45.0    85.0   .   .    4   SER   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1e75   1   
         9   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -115.0   -35.0   .   .    5   ASP   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1e75   1   
        10   CHI1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     25.0    85.0   .   .    5   ASP   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1e75   1   
        11   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     35.0   285.0   .   .    7   LEU   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1e75   1   
        12   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -165.0    95.0   .   .    7   LEU   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1e75   1   
        13   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -95.0   215.0   .   .    7   LEU   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1e75   1   
        14   CHI1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -125.0   135.0   .   .    7   LEU   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1e75   1   
        15   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -155.0   -85.0   .   .    8   CYS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1e75   1   
        16   CHI1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -325.0    15.0   .   .    8   CYS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1e75   1   
        17   CHI1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -85.0   215.0   .   .    8   CYS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1e75   1   
        18   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -335.0   -25.0   .   .    9   ALA   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1e75   1   
        19   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -205.0    95.0   .   .    9   ALA   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1e75   1   
        20   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -65.0   -45.0   .   .   10   TRP   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1e75   1   
        21   CHI1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     85.0   105.0   .   .   10   TRP   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1e75   1   
        22   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     25.0   305.0   .   .   11   ARG   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1e75   1   
        23   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -285.0    45.0   .   .   11   ARG   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1e75   1   
        24   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -175.0    95.0   .   .   11   ARG   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1e75   1   
        25   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -75.0   195.0   .   .   11   ARG   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1e75   1   
        26   CHI1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -215.0   105.0   .   .   11   ARG   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1e75   1   
        27   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     35.0   295.0   .   .   12   CYS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1e75   1   
        28   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -285.0    45.0   .   .   12   CYS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1e75   1   
        29   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -175.0    95.0   .   .   12   CYS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1e75   1   
        30   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -75.0   205.0   .   .   12   CYS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1e75   1   
    stop_

save_





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