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
34086 1jcp 5138 cing 2-parsed STAR entry full 148


data_1jcp_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1jcp 
    _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_1jcp   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1jcp 
    _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   1jcp   "Master copy"    parsed_1jcp   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1jcp 
    _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   1jcp.mr   .   .   "MR format"    1    comment                  "Not applicable"      "Not applicable"     0   parsed_1jcp   1   
        1   1jcp.mr   .   .    n/a           2    comment                  "Not applicable"      "Not applicable"     0   parsed_1jcp   1   
        1   1jcp.mr   .   .    DYANA/DIANA   3    distance                  NOE                   simple             62   parsed_1jcp   1   
        1   1jcp.mr   .   .    DYANA/DIANA   4    distance                 "general distance"     simple             12   parsed_1jcp   1   
        1   1jcp.mr   .   .    n/a           5    comment                  "Not applicable"      "Not applicable"     0   parsed_1jcp   1   
        1   1jcp.mr   .   .    DYANA/DIANA   6    distance                  NOE                   simple             62   parsed_1jcp   1   
        1   1jcp.mr   .   .    DYANA/DIANA   7    distance                 "general distance"     simple             12   parsed_1jcp   1   
        1   1jcp.mr   .   .   "MR format"    8   "nomenclature mapping"    "Not applicable"      "Not applicable"     0   parsed_1jcp   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_1jcp 
    _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    VIRUS/VIRAL PROTEIN                     11-JUN-01   1JCP              
*TITLE     SOLUTION STRUCTURE OF THE LACTAM ANALOGUE EDAP OF HIV GP41            
*TITLE    2 600-612 LOOP.                                                        
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: EDAP : ACE-ILE-TRP-GLU-SER-GLY-LYS-LEU-ILE-DAP-            
*COMPND   3 THR-THR-ALA ANALOGUE OF HIV GP41;                                    
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 OTHER_DETAILS: ATOM OE2 OF GLU 5 IS MISSING DUE TO THE               
*COMPND   7 SIDE-CHAIN LINK BETWEEN GLU 5 AND DNP 11                             
*SOURCE    MOL_ID: 1                                                             
*KEYWDS    CYCLIC PEPTIDE, GP41, HIV, LACTAM BOND, PSEUDOPEPTIDE.                
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    A.PHAN CHAN DU, D.LIMAL, V.SEMETEY, H.DALI, M.JOLIVET,                
*AUTHOR   2 C.DESGRANGES, M.T.CUNG, J.P.BRIAND, M.C.PETIT, S.MULLER              
*REVDAT   1   01-JUL-03 1JCP    0                                                

;

save_


save_MR_file_comment_2
    _Org_constr_file_comment.Sf_category         org_constr_file_comment 
    _Org_constr_file_comment.Entry_ID            parsed_1jcp 
    _Org_constr_file_comment.ID                  2 
    _Org_constr_file_comment.Constraint_file_ID  1 
    _Org_constr_file_comment.Block_ID            2 
    _Org_constr_file_comment.Details            "Generated by Wattos" 
    _Org_constr_file_comment.Comment            
;
NMR restraints used for strucutre calculations od Edap analogue  


atom1 atom2 upper limit restraints
;

save_


save_DYANA/DIANA_distance_constraints_3
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_1jcp 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type     NOE 
    _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_1jcp   1   
         2   1   .   .   .   parsed_1jcp   1   
         3   1   .   .   .   parsed_1jcp   1   
         4   1   .   .   .   parsed_1jcp   1   
         5   1   .   .   .   parsed_1jcp   1   
         6   1   .   .   .   parsed_1jcp   1   
         7   1   .   .   .   parsed_1jcp   1   
         8   1   .   .   .   parsed_1jcp   1   
         9   1   .   .   .   parsed_1jcp   1   
        10   1   .   .   .   parsed_1jcp   1   
        11   1   .   .   .   parsed_1jcp   1   
        12   1   .   .   .   parsed_1jcp   1   
        13   1   .   .   .   parsed_1jcp   1   
        14   1   .   .   .   parsed_1jcp   1   
        15   1   .   .   .   parsed_1jcp   1   
        16   1   .   .   .   parsed_1jcp   1   
        17   1   .   .   .   parsed_1jcp   1   
        18   1   .   .   .   parsed_1jcp   1   
        19   1   .   .   .   parsed_1jcp   1   
        20   1   .   .   .   parsed_1jcp   1   
        21   1   .   .   .   parsed_1jcp   1   
        22   1   .   .   .   parsed_1jcp   1   
        23   1   .   .   .   parsed_1jcp   1   
        24   1   .   .   .   parsed_1jcp   1   
        25   1   .   .   .   parsed_1jcp   1   
        26   1   .   .   .   parsed_1jcp   1   
        27   1   .   .   .   parsed_1jcp   1   
        28   1   .   .   .   parsed_1jcp   1   
        29   1   .   .   .   parsed_1jcp   1   
        30   1   .   .   .   parsed_1jcp   1   
        31   1   .   .   .   parsed_1jcp   1   
        32   1   .   .   .   parsed_1jcp   1   
        33   1   .   .   .   parsed_1jcp   1   
        34   1   .   .   .   parsed_1jcp   1   
        35   1   .   .   .   parsed_1jcp   1   
        36   1   .   .   .   parsed_1jcp   1   
        37   1   .   .   .   parsed_1jcp   1   
        38   1   .   .   .   parsed_1jcp   1   
        39   1   .   .   .   parsed_1jcp   1   
        40   1   .   .   .   parsed_1jcp   1   
        41   1   .   .   .   parsed_1jcp   1   
        42   1   .   .   .   parsed_1jcp   1   
        43   1   .   .   .   parsed_1jcp   1   
        44   1   .   .   .   parsed_1jcp   1   
        45   1   .   .   .   parsed_1jcp   1   
        46   1   .   .   .   parsed_1jcp   1   
        47   1   .   .   .   parsed_1jcp   1   
        48   1   .   .   .   parsed_1jcp   1   
        49   1   .   .   .   parsed_1jcp   1   
        50   1   .   .   .   parsed_1jcp   1   
        51   1   .   .   .   parsed_1jcp   1   
        52   1   .   .   .   parsed_1jcp   1   
        53   1   .   .   .   parsed_1jcp   1   
        54   1   .   .   .   parsed_1jcp   1   
        55   1   .   .   .   parsed_1jcp   1   
        56   1   .   .   .   parsed_1jcp   1   
        57   1   .   .   .   parsed_1jcp   1   
        58   1   .   .   .   parsed_1jcp   1   
        59   1   .   .   .   parsed_1jcp   1   
        60   1   .   .   .   parsed_1jcp   1   
        61   1   .   .   .   parsed_1jcp   1   
        62   1   .   .   .   parsed_1jcp   1   
    stop_


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

         1   1   1   .   .   .   .   .   .   .   .   .    2   ILE    HN    parsed_1jcp   1   
         1   1   2   .   .   .   .   .   .   .   .   .    2   ILE    HA    parsed_1jcp   1   
         2   1   1   .   .   .   .   .   .   .   .   .    2   ILE    HN    parsed_1jcp   1   
         2   1   2   .   .   .   .   .   .   .   .   .    2   ILE    HB    parsed_1jcp   1   
         3   1   1   .   .   .   .   .   .   .   .   .    2   ILE    HN    parsed_1jcp   1   
         3   1   2   .   .   .   .   .   .   .   .   .    2   ILE    QG2   parsed_1jcp   1   
         4   1   1   .   .   .   .   .   .   .   .   .    2   ILE    HN    parsed_1jcp   1   
         4   1   2   .   .   .   .   .   .   .   .   .    2   ILE    QD1   parsed_1jcp   1   
         5   1   1   .   .   .   .   .   .   .   .   .    2   ILE    HN    parsed_1jcp   1   
         5   1   2   .   .   .   .   .   .   .   .   .    3   TRP    HN    parsed_1jcp   1   
         6   1   1   .   .   .   .   .   .   .   .   .    2   ILE    HA    parsed_1jcp   1   
         6   1   2   .   .   .   .   .   .   .   .   .    3   TRP    HN    parsed_1jcp   1   
         7   1   1   .   .   .   .   .   .   .   .   .    2   ILE    HA    parsed_1jcp   1   
         7   1   2   .   .   .   .   .   .   .   .   .    3   TRP    HD1   parsed_1jcp   1   
         8   1   1   .   .   .   .   .   .   .   .   .    2   ILE    HB    parsed_1jcp   1   
         8   1   2   .   .   .   .   .   .   .   .   .    3   TRP    HN    parsed_1jcp   1   
         9   1   1   .   .   .   .   .   .   .   .   .    2   ILE    QG1   parsed_1jcp   1   
         9   1   2   .   .   .   .   .   .   .   .   .    3   TRP    HN    parsed_1jcp   1   
        10   1   1   .   .   .   .   .   .   .   .   .    2   ILE    QD1   parsed_1jcp   1   
        10   1   2   .   .   .   .   .   .   .   .   .    3   TRP    HN    parsed_1jcp   1   
        11   1   1   .   .   .   .   .   .   .   .   .    2   ILE    QD1   parsed_1jcp   1   
        11   1   2   .   .   .   .   .   .   .   .   .    3   TRP    HD1   parsed_1jcp   1   
        12   1   1   .   .   .   .   .   .   .   .   .    3   TRP    HN    parsed_1jcp   1   
        12   1   2   .   .   .   .   .   .   .   .   .    3   TRP    HA    parsed_1jcp   1   
        13   1   1   .   .   .   .   .   .   .   .   .    3   TRP    HN    parsed_1jcp   1   
        13   1   2   .   .   .   .   .   .   .   .   .    3   TRP    QB    parsed_1jcp   1   
        14   1   1   .   .   .   .   .   .   .   .   .    3   TRP    HN    parsed_1jcp   1   
        14   1   2   .   .   .   .   .   .   .   .   .    4   GLY    HN    parsed_1jcp   1   
        15   1   1   .   .   .   .   .   .   .   .   .    3   TRP    HA    parsed_1jcp   1   
        15   1   2   .   .   .   .   .   .   .   .   .    4   GLY    HN    parsed_1jcp   1   
        16   1   1   .   .   .   .   .   .   .   .   .    3   TRP    QB    parsed_1jcp   1   
        16   1   2   .   .   .   .   .   .   .   .   .    4   GLY    HN    parsed_1jcp   1   
        17   1   1   .   .   .   .   .   .   .   .   .    3   TRP    HD1   parsed_1jcp   1   
        17   1   2   .   .   .   .   .   .   .   .   .    4   GLY    HN    parsed_1jcp   1   
        18   1   1   .   .   .   .   .   .   .   .   .    4   GLY    HN    parsed_1jcp   1   
        18   1   2   .   .   .   .   .   .   .   .   .    4   GLY    QA    parsed_1jcp   1   
        19   1   1   .   .   .   .   .   .   .   .   .    4   GLY    QA    parsed_1jcp   1   
        19   1   2   .   .   .   .   .   .   .   .   .    5   GLS    HN    parsed_1jcp   1   
        20   1   1   .   .   .   .   .   .   .   .   .    5   GLS    HN    parsed_1jcp   1   
        20   1   2   .   .   .   .   .   .   .   .   .    5   GLS    HA    parsed_1jcp   1   
        21   1   1   .   .   .   .   .   .   .   .   .    5   GLS    HN    parsed_1jcp   1   
        21   1   2   .   .   .   .   .   .   .   .   .    5   GLS    QG    parsed_1jcp   1   
        22   1   1   .   .   .   .   .   .   .   .   .    5   GLS    HN    parsed_1jcp   1   
        22   1   2   .   .   .   .   .   .   .   .   .    5   GLS    QB    parsed_1jcp   1   
        23   1   1   .   .   .   .   .   .   .   .   .    5   GLS    HA    parsed_1jcp   1   
        23   1   2   .   .   .   .   .   .   .   .   .    6   SER    HN    parsed_1jcp   1   
        24   1   1   .   .   .   .   .   .   .   .   .    5   GLS    QG    parsed_1jcp   1   
        24   1   2   .   .   .   .   .   .   .   .   .    6   SER    HN    parsed_1jcp   1   
        25   1   1   .   .   .   .   .   .   .   .   .    5   GLS    QB    parsed_1jcp   1   
        25   1   2   .   .   .   .   .   .   .   .   .    6   SER    HN    parsed_1jcp   1   
        26   1   1   .   .   .   .   .   .   .   .   .    5   GLS    QB    parsed_1jcp   1   
        26   1   2   .   .   .   .   .   .   .   .   .    7   GLY    HN    parsed_1jcp   1   
        27   1   1   .   .   .   .   .   .   .   .   .    5   GLS    QG    parsed_1jcp   1   
        27   1   2   .   .   .   .   .   .   .   .   .    7   GLY    HN    parsed_1jcp   1   
        28   1   1   .   .   .   .   .   .   .   .   .    5   GLS    QB    parsed_1jcp   1   
        28   1   2   .   .   .   .   .   .   .   .   .   11   AMIS   HG    parsed_1jcp   1   
        29   1   1   .   .   .   .   .   .   .   .   .    5   GLS    QG    parsed_1jcp   1   
        29   1   2   .   .   .   .   .   .   .   .   .   11   AMIS   HG    parsed_1jcp   1   
        30   1   1   .   .   .   .   .   .   .   .   .    6   SER    HA    parsed_1jcp   1   
        30   1   2   .   .   .   .   .   .   .   .   .    7   GLY    HN    parsed_1jcp   1   
        31   1   1   .   .   .   .   .   .   .   .   .    6   SER    QB    parsed_1jcp   1   
        31   1   2   .   .   .   .   .   .   .   .   .    7   GLY    HN    parsed_1jcp   1   
        32   1   1   .   .   .   .   .   .   .   .   .    7   GLY    HN    parsed_1jcp   1   
        32   1   2   .   .   .   .   .   .   .   .   .    7   GLY    QA    parsed_1jcp   1   
        33   1   1   .   .   .   .   .   .   .   .   .    7   GLY    HN    parsed_1jcp   1   
        33   1   2   .   .   .   .   .   .   .   .   .    8   LYS    HN    parsed_1jcp   1   
        34   1   1   .   .   .   .   .   .   .   .   .    7   GLY    QA    parsed_1jcp   1   
        34   1   2   .   .   .   .   .   .   .   .   .    8   LYS    HN    parsed_1jcp   1   
        35   1   1   .   .   .   .   .   .   .   .   .    9   LEU    HA    parsed_1jcp   1   
        35   1   2   .   .   .   .   .   .   .   .   .    9   LEU    HG    parsed_1jcp   1   
        36   1   1   .   .   .   .   .   .   .   .   .    9   LEU    HA    parsed_1jcp   1   
        36   1   2   .   .   .   .   .   .   .   .   .    9   LEU    QD1   parsed_1jcp   1   
        37   1   1   .   .   .   .   .   .   .   .   .    9   LEU    HA    parsed_1jcp   1   
        37   1   2   .   .   .   .   .   .   .   .   .    9   LEU    QD2   parsed_1jcp   1   
        38   1   1   .   .   .   .   .   .   .   .   .    9   LEU    HA    parsed_1jcp   1   
        38   1   2   .   .   .   .   .   .   .   .   .   10   ILE    HN    parsed_1jcp   1   
        39   1   1   .   .   .   .   .   .   .   .   .    9   LEU    QB    parsed_1jcp   1   
        39   1   2   .   .   .   .   .   .   .   .   .   10   ILE    HN    parsed_1jcp   1   
        40   1   1   .   .   .   .   .   .   .   .   .    9   LEU    HG    parsed_1jcp   1   
        40   1   2   .   .   .   .   .   .   .   .   .   10   ILE    HN    parsed_1jcp   1   
        41   1   1   .   .   .   .   .   .   .   .   .   10   ILE    HN    parsed_1jcp   1   
        41   1   2   .   .   .   .   .   .   .   .   .   10   ILE    HA    parsed_1jcp   1   
        42   1   1   .   .   .   .   .   .   .   .   .   10   ILE    HN    parsed_1jcp   1   
        42   1   2   .   .   .   .   .   .   .   .   .   10   ILE    HB    parsed_1jcp   1   
        43   1   1   .   .   .   .   .   .   .   .   .   10   ILE    HN    parsed_1jcp   1   
        43   1   2   .   .   .   .   .   .   .   .   .   10   ILE    QG2   parsed_1jcp   1   
        44   1   1   .   .   .   .   .   .   .   .   .   10   ILE    HN    parsed_1jcp   1   
        44   1   2   .   .   .   .   .   .   .   .   .   10   ILE    QD1   parsed_1jcp   1   
        45   1   1   .   .   .   .   .   .   .   .   .   10   ILE    HN    parsed_1jcp   1   
        45   1   2   .   .   .   .   .   .   .   .   .   11   AMIS   HN    parsed_1jcp   1   
        46   1   1   .   .   .   .   .   .   .   .   .   10   ILE    HA    parsed_1jcp   1   
        46   1   2   .   .   .   .   .   .   .   .   .   11   AMIS   HN    parsed_1jcp   1   
        47   1   1   .   .   .   .   .   .   .   .   .   10   ILE    HB    parsed_1jcp   1   
        47   1   2   .   .   .   .   .   .   .   .   .   11   AMIS   HN    parsed_1jcp   1   
        48   1   1   .   .   .   .   .   .   .   .   .   10   ILE    QG2   parsed_1jcp   1   
        48   1   2   .   .   .   .   .   .   .   .   .   11   AMIS   HN    parsed_1jcp   1   
        49   1   1   .   .   .   .   .   .   .   .   .   10   ILE    QD1   parsed_1jcp   1   
        49   1   2   .   .   .   .   .   .   .   .   .   11   AMIS   HN    parsed_1jcp   1   
        50   1   1   .   .   .   .   .   .   .   .   .   10   ILE    QD1   parsed_1jcp   1   
        50   1   2   .   .   .   .   .   .   .   .   .   11   AMIS   HG    parsed_1jcp   1   
        51   1   1   .   .   .   .   .   .   .   .   .   10   ILE    QD1   parsed_1jcp   1   
        51   1   2   .   .   .   .   .   .   .   .   .   12   THR    HN    parsed_1jcp   1   
        52   1   1   .   .   .   .   .   .   .   .   .   11   AMIS   HN    parsed_1jcp   1   
        52   1   2   .   .   .   .   .   .   .   .   .   11   AMIS   HA    parsed_1jcp   1   
        53   1   1   .   .   .   .   .   .   .   .   .   11   AMIS   HN    parsed_1jcp   1   
        53   1   2   .   .   .   .   .   .   .   .   .   11   AMIS   QB    parsed_1jcp   1   
        54   1   1   .   .   .   .   .   .   .   .   .   11   AMIS   HN    parsed_1jcp   1   
        54   1   2   .   .   .   .   .   .   .   .   .   12   THR    HN    parsed_1jcp   1   
        55   1   1   .   .   .   .   .   .   .   .   .   11   AMIS   HA    parsed_1jcp   1   
        55   1   2   .   .   .   .   .   .   .   .   .   12   THR    HN    parsed_1jcp   1   
        56   1   1   .   .   .   .   .   .   .   .   .   11   AMIS   QB    parsed_1jcp   1   
        56   1   2   .   .   .   .   .   .   .   .   .   12   THR    HN    parsed_1jcp   1   
        57   1   1   .   .   .   .   .   .   .   .   .   12   THR    HN    parsed_1jcp   1   
        57   1   2   .   .   .   .   .   .   .   .   .   13   THR    HN    parsed_1jcp   1   
        58   1   1   .   .   .   .   .   .   .   .   .   12   THR    HA    parsed_1jcp   1   
        58   1   2   .   .   .   .   .   .   .   .   .   13   THR    HN    parsed_1jcp   1   
        59   1   1   .   .   .   .   .   .   .   .   .   13   THR    HN    parsed_1jcp   1   
        59   1   2   .   .   .   .   .   .   .   .   .   13   THR    HA    parsed_1jcp   1   
        60   1   1   .   .   .   .   .   .   .   .   .   13   THR    HN    parsed_1jcp   1   
        60   1   2   .   .   .   .   .   .   .   .   .   13   THR    HB    parsed_1jcp   1   
        61   1   1   .   .   .   .   .   .   .   .   .   13   THR    HN    parsed_1jcp   1   
        61   1   2   .   .   .   .   .   .   .   .   .   13   THR    QG2   parsed_1jcp   1   
        62   1   1   .   .   .   .   .   .   .   .   .   14   ALA    HN    parsed_1jcp   1   
        62   1   2   .   .   .   .   .   .   .   .   .   14   ALA    QB    parsed_1jcp   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   .   .   .   .   .   .   .   3.80   parsed_1jcp   1   
         2   1   .   .   .   .   .   .   .   3.80   parsed_1jcp   1   
         3   1   .   .   .   .   .   .   .   4.80   parsed_1jcp   1   
         4   1   .   .   .   .   .   .   .   5.50   parsed_1jcp   1   
         5   1   .   .   .   .   .   .   .   4.50   parsed_1jcp   1   
         6   1   .   .   .   .   .   .   .   2.80   parsed_1jcp   1   
         7   1   .   .   .   .   .   .   .   5.50   parsed_1jcp   1   
         8   1   .   .   .   .   .   .   .   3.80   parsed_1jcp   1   
         9   1   .   .   .   .   .   .   .   5.50   parsed_1jcp   1   
        10   1   .   .   .   .   .   .   .   5.50   parsed_1jcp   1   
        11   1   .   .   .   .   .   .   .   6.50   parsed_1jcp   1   
        12   1   .   .   .   .   .   .   .   3.80   parsed_1jcp   1   
        13   1   .   .   .   .   .   .   .   3.80   parsed_1jcp   1   
        14   1   .   .   .   .   .   .   .   4.00   parsed_1jcp   1   
        15   1   .   .   .   .   .   .   .   3.20   parsed_1jcp   1   
        16   1   .   .   .   .   .   .   .   3.80   parsed_1jcp   1   
        17   1   .   .   .   .   .   .   .   5.50   parsed_1jcp   1   
        18   1   .   .   .   .   .   .   .   5.50   parsed_1jcp   1   
        19   1   .   .   .   .   .   .   .   4.20   parsed_1jcp   1   
        20   1   .   .   .   .   .   .   .   3.80   parsed_1jcp   1   
        21   1   .   .   .   .   .   .   .   4.80   parsed_1jcp   1   
        22   1   .   .   .   .   .   .   .   4.80   parsed_1jcp   1   
        23   1   .   .   .   .   .   .   .   2.80   parsed_1jcp   1   
        24   1   .   .   .   .   .   .   .   5.50   parsed_1jcp   1   
        25   1   .   .   .   .   .   .   .   5.50   parsed_1jcp   1   
        26   1   .   .   .   .   .   .   .   6.50   parsed_1jcp   1   
        27   1   .   .   .   .   .   .   .   5.50   parsed_1jcp   1   
        28   1   .   .   .   .   .   .   .   4.80   parsed_1jcp   1   
        29   1   .   .   .   .   .   .   .   3.50   parsed_1jcp   1   
        30   1   .   .   .   .   .   .   .   2.80   parsed_1jcp   1   
        31   1   .   .   .   .   .   .   .   5.50   parsed_1jcp   1   
        32   1   .   .   .   .   .   .   .   5.50   parsed_1jcp   1   
        33   1   .   .   .   .   .   .   .   3.80   parsed_1jcp   1   
        34   1   .   .   .   .   .   .   .   5.50   parsed_1jcp   1   
        35   1   .   .   .   .   .   .   .   4.20   parsed_1jcp   1   
        36   1   .   .   .   .   .   .   .   5.50   parsed_1jcp   1   
        37   1   .   .   .   .   .   .   .   5.50   parsed_1jcp   1   
        38   1   .   .   .   .   .   .   .   3.20   parsed_1jcp   1   
        39   1   .   .   .   .   .   .   .   5.50   parsed_1jcp   1   
        40   1   .   .   .   .   .   .   .   5.50   parsed_1jcp   1   
        41   1   .   .   .   .   .   .   .   3.80   parsed_1jcp   1   
        42   1   .   .   .   .   .   .   .   3.80   parsed_1jcp   1   
        43   1   .   .   .   .   .   .   .   5.50   parsed_1jcp   1   
        44   1   .   .   .   .   .   .   .   5.50   parsed_1jcp   1   
        45   1   .   .   .   .   .   .   .   3.80   parsed_1jcp   1   
        46   1   .   .   .   .   .   .   .   3.50   parsed_1jcp   1   
        47   1   .   .   .   .   .   .   .   4.50   parsed_1jcp   1   
        48   1   .   .   .   .   .   .   .   5.50   parsed_1jcp   1   
        49   1   .   .   .   .   .   .   .   5.50   parsed_1jcp   1   
        50   1   .   .   .   .   .   .   .   6.50   parsed_1jcp   1   
        51   1   .   .   .   .   .   .   .   6.50   parsed_1jcp   1   
        52   1   .   .   .   .   .   .   .   3.80   parsed_1jcp   1   
        53   1   .   .   .   .   .   .   .   4.01   parsed_1jcp   1   
        54   1   .   .   .   .   .   .   .   3.80   parsed_1jcp   1   
        55   1   .   .   .   .   .   .   .   3.80   parsed_1jcp   1   
        56   1   .   .   .   .   .   .   .   4.54   parsed_1jcp   1   
        57   1   .   .   .   .   .   .   .   3.80   parsed_1jcp   1   
        58   1   .   .   .   .   .   .   .   3.80   parsed_1jcp   1   
        59   1   .   .   .   .   .   .   .   3.80   parsed_1jcp   1   
        60   1   .   .   .   .   .   .   .   3.80   parsed_1jcp   1   
        61   1   .   .   .   .   .   .   .   4.80   parsed_1jcp   1   
        62   1   .   .   .   .   .   .   .   5.50   parsed_1jcp   1   
    stop_

save_


save_DYANA/DIANA_distance_constraints_4
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_1jcp 
    _Distance_constraint_list.ID                  2 
    _Distance_constraint_list.Constraint_type    "general distance" 
    _Distance_constraint_list.Constraint_file_ID  1 
    _Distance_constraint_list.Block_ID            4 
    _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_1jcp   2   
         2   1   .   .   .   parsed_1jcp   2   
         3   1   .   .   .   parsed_1jcp   2   
         4   1   .   .   .   parsed_1jcp   2   
         5   1   .   .   .   parsed_1jcp   2   
         6   1   .   .   .   parsed_1jcp   2   
         7   1   .   .   .   parsed_1jcp   2   
         8   1   .   .   .   parsed_1jcp   2   
         9   1   .   .   .   parsed_1jcp   2   
        10   1   .   .   .   parsed_1jcp   2   
        11   1   .   .   .   parsed_1jcp   2   
        12   1   .   .   .   parsed_1jcp   2   
    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   .   .   .   .   .   .   .   .   .    5   GLS    QG    parsed_1jcp   2   
         1   1   2   .   .   .   .   .   .   .   .   .   11   AMIS   QB    parsed_1jcp   2   
         2   1   1   .   .   .   .   .   .   .   .   .    5   GLS    QG    parsed_1jcp   2   
         2   1   2   .   .   .   .   .   .   .   .   .   11   AMIS   HA    parsed_1jcp   2   
         3   1   1   .   .   .   .   .   .   .   .   .    5   GLS    QG    parsed_1jcp   2   
         3   1   2   .   .   .   .   .   .   .   .   .    6   SER    HA    parsed_1jcp   2   
         4   1   1   .   .   .   .   .   .   .   .   .    5   GLS    QG    parsed_1jcp   2   
         4   1   2   .   .   .   .   .   .   .   .   .    6   SER    HA    parsed_1jcp   2   
         5   1   1   .   .   .   .   .   .   .   .   .    5   GLS    CD    parsed_1jcp   2   
         5   1   2   .   .   .   .   .   .   .   .   .   11   AMIS   NG    parsed_1jcp   2   
         6   1   1   .   .   .   .   .   .   .   .   .    5   GLS    OD1   parsed_1jcp   2   
         6   1   2   .   .   .   .   .   .   .   .   .   11   AMIS   HG    parsed_1jcp   2   
         7   1   1   .   .   .   .   .   .   .   .   .    5   GLS    CG    parsed_1jcp   2   
         7   1   2   .   .   .   .   .   .   .   .   .   11   AMIS   NG    parsed_1jcp   2   
         8   1   1   .   .   .   .   .   .   .   .   .    5   GLS    OD1   parsed_1jcp   2   
         8   1   2   .   .   .   .   .   .   .   .   .   11   AMIS   NG    parsed_1jcp   2   
         9   1   1   .   .   .   .   .   .   .   .   .    5   GLS    CD    parsed_1jcp   2   
         9   1   2   .   .   .   .   .   .   .   .   .   11   AMIS   CB    parsed_1jcp   2   
        10   1   1   .   .   .   .   .   .   .   .   .    5   GLS    CD    parsed_1jcp   2   
        10   1   2   .   .   .   .   .   .   .   .   .   11   AMIS   HG    parsed_1jcp   2   
        11   1   1   .   .   .   .   .   .   .   .   .    5   GLS    CG    parsed_1jcp   2   
        11   1   2   .   .   .   .   .   .   .   .   .   11   AMIS   HG    parsed_1jcp   2   
        12   1   1   .   .   .   .   .   .   .   .   .    5   GLS    OD1   parsed_1jcp   2   
        12   1   2   .   .   .   .   .   .   .   .   .   11   AMIS   CB    parsed_1jcp   2   
    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   .   .   .   .   .   .   .   5.50   parsed_1jcp   2   
         2   1   .   .   .   .   .   .   .   5.50   parsed_1jcp   2   
         3   1   .   .   .   .   .   .   .   5.50   parsed_1jcp   2   
         4   1   .   .   .   .   .   .   .   5.50   parsed_1jcp   2   
         5   1   .   .   .   .   .   .   .   1.3    parsed_1jcp   2   
         6   1   .   .   .   .   .   .   .   3.1    parsed_1jcp   2   
         7   1   .   .   .   .   .   .   .   2.3    parsed_1jcp   2   
         8   1   .   .   .   .   .   .   .   2.2    parsed_1jcp   2   
         9   1   .   .   .   .   .   .   .   2.4    parsed_1jcp   2   
        10   1   .   .   .   .   .   .   .   2.0    parsed_1jcp   2   
        11   1   .   .   .   .   .   .   .   2.4    parsed_1jcp   2   
        12   1   .   .   .   .   .   .   .   2.7    parsed_1jcp   2   
    stop_

save_


save_MR_file_comment_5
    _Org_constr_file_comment.Sf_category         org_constr_file_comment 
    _Org_constr_file_comment.Entry_ID            parsed_1jcp 
    _Org_constr_file_comment.ID                  3 
    _Org_constr_file_comment.Constraint_file_ID  1 
    _Org_constr_file_comment.Block_ID            5 
    _Org_constr_file_comment.Details            "Generated by Wattos" 
    _Org_constr_file_comment.Comment            "atom1 atom2 lower limit distance" 
save_


save_DYANA/DIANA_distance_constraints_6
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_1jcp 
    _Distance_constraint_list.ID                  3 
    _Distance_constraint_list.Constraint_type     NOE 
    _Distance_constraint_list.Constraint_file_ID  1 
    _Distance_constraint_list.Block_ID            6 
    _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_1jcp   3   
         2   1   .   .   .   parsed_1jcp   3   
         3   1   .   .   .   parsed_1jcp   3   
         4   1   .   .   .   parsed_1jcp   3   
         5   1   .   .   .   parsed_1jcp   3   
         6   1   .   .   .   parsed_1jcp   3   
         7   1   .   .   .   parsed_1jcp   3   
         8   1   .   .   .   parsed_1jcp   3   
         9   1   .   .   .   parsed_1jcp   3   
        10   1   .   .   .   parsed_1jcp   3   
        11   1   .   .   .   parsed_1jcp   3   
        12   1   .   .   .   parsed_1jcp   3   
        13   1   .   .   .   parsed_1jcp   3   
        14   1   .   .   .   parsed_1jcp   3   
        15   1   .   .   .   parsed_1jcp   3   
        16   1   .   .   .   parsed_1jcp   3   
        17   1   .   .   .   parsed_1jcp   3   
        18   1   .   .   .   parsed_1jcp   3   
        19   1   .   .   .   parsed_1jcp   3   
        20   1   .   .   .   parsed_1jcp   3   
        21   1   .   .   .   parsed_1jcp   3   
        22   1   .   .   .   parsed_1jcp   3   
        23   1   .   .   .   parsed_1jcp   3   
        24   1   .   .   .   parsed_1jcp   3   
        25   1   .   .   .   parsed_1jcp   3   
        26   1   .   .   .   parsed_1jcp   3   
        27   1   .   .   .   parsed_1jcp   3   
        28   1   .   .   .   parsed_1jcp   3   
        29   1   .   .   .   parsed_1jcp   3   
        30   1   .   .   .   parsed_1jcp   3   
        31   1   .   .   .   parsed_1jcp   3   
        32   1   .   .   .   parsed_1jcp   3   
        33   1   .   .   .   parsed_1jcp   3   
        34   1   .   .   .   parsed_1jcp   3   
        35   1   .   .   .   parsed_1jcp   3   
        36   1   .   .   .   parsed_1jcp   3   
        37   1   .   .   .   parsed_1jcp   3   
        38   1   .   .   .   parsed_1jcp   3   
        39   1   .   .   .   parsed_1jcp   3   
        40   1   .   .   .   parsed_1jcp   3   
        41   1   .   .   .   parsed_1jcp   3   
        42   1   .   .   .   parsed_1jcp   3   
        43   1   .   .   .   parsed_1jcp   3   
        44   1   .   .   .   parsed_1jcp   3   
        45   1   .   .   .   parsed_1jcp   3   
        46   1   .   .   .   parsed_1jcp   3   
        47   1   .   .   .   parsed_1jcp   3   
        48   1   .   .   .   parsed_1jcp   3   
        49   1   .   .   .   parsed_1jcp   3   
        50   1   .   .   .   parsed_1jcp   3   
        51   1   .   .   .   parsed_1jcp   3   
        52   1   .   .   .   parsed_1jcp   3   
        53   1   .   .   .   parsed_1jcp   3   
        54   1   .   .   .   parsed_1jcp   3   
        55   1   .   .   .   parsed_1jcp   3   
        56   1   .   .   .   parsed_1jcp   3   
        57   1   .   .   .   parsed_1jcp   3   
        58   1   .   .   .   parsed_1jcp   3   
        59   1   .   .   .   parsed_1jcp   3   
        60   1   .   .   .   parsed_1jcp   3   
        61   1   .   .   .   parsed_1jcp   3   
        62   1   .   .   .   parsed_1jcp   3   
    stop_


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

         1   1   1   .   .   .   .   .   .   .   .   .    2   ILE    HN    parsed_1jcp   3   
         1   1   2   .   .   .   .   .   .   .   .   .    2   ILE    HA    parsed_1jcp   3   
         2   1   1   .   .   .   .   .   .   .   .   .    2   ILE    HN    parsed_1jcp   3   
         2   1   2   .   .   .   .   .   .   .   .   .    2   ILE    HB    parsed_1jcp   3   
         3   1   1   .   .   .   .   .   .   .   .   .    2   ILE    HN    parsed_1jcp   3   
         3   1   2   .   .   .   .   .   .   .   .   .    2   ILE    QG2   parsed_1jcp   3   
         4   1   1   .   .   .   .   .   .   .   .   .    2   ILE    HN    parsed_1jcp   3   
         4   1   2   .   .   .   .   .   .   .   .   .    2   ILE    QD1   parsed_1jcp   3   
         5   1   1   .   .   .   .   .   .   .   .   .    2   ILE    HN    parsed_1jcp   3   
         5   1   2   .   .   .   .   .   .   .   .   .    3   TRP    HN    parsed_1jcp   3   
         6   1   1   .   .   .   .   .   .   .   .   .    2   ILE    HA    parsed_1jcp   3   
         6   1   2   .   .   .   .   .   .   .   .   .    3   TRP    HN    parsed_1jcp   3   
         7   1   1   .   .   .   .   .   .   .   .   .    2   ILE    HA    parsed_1jcp   3   
         7   1   2   .   .   .   .   .   .   .   .   .    3   TRP    HD1   parsed_1jcp   3   
         8   1   1   .   .   .   .   .   .   .   .   .    2   ILE    HB    parsed_1jcp   3   
         8   1   2   .   .   .   .   .   .   .   .   .    3   TRP    HN    parsed_1jcp   3   
         9   1   1   .   .   .   .   .   .   .   .   .    2   ILE    QG1   parsed_1jcp   3   
         9   1   2   .   .   .   .   .   .   .   .   .    3   TRP    HN    parsed_1jcp   3   
        10   1   1   .   .   .   .   .   .   .   .   .    2   ILE    QD1   parsed_1jcp   3   
        10   1   2   .   .   .   .   .   .   .   .   .    3   TRP    HN    parsed_1jcp   3   
        11   1   1   .   .   .   .   .   .   .   .   .    2   ILE    QD1   parsed_1jcp   3   
        11   1   2   .   .   .   .   .   .   .   .   .    3   TRP    HD1   parsed_1jcp   3   
        12   1   1   .   .   .   .   .   .   .   .   .    3   TRP    HN    parsed_1jcp   3   
        12   1   2   .   .   .   .   .   .   .   .   .    3   TRP    HA    parsed_1jcp   3   
        13   1   1   .   .   .   .   .   .   .   .   .    3   TRP    HN    parsed_1jcp   3   
        13   1   2   .   .   .   .   .   .   .   .   .    3   TRP    QB    parsed_1jcp   3   
        14   1   1   .   .   .   .   .   .   .   .   .    3   TRP    HN    parsed_1jcp   3   
        14   1   2   .   .   .   .   .   .   .   .   .    4   GLY    HN    parsed_1jcp   3   
        15   1   1   .   .   .   .   .   .   .   .   .    3   TRP    HA    parsed_1jcp   3   
        15   1   2   .   .   .   .   .   .   .   .   .    4   GLY    HN    parsed_1jcp   3   
        16   1   1   .   .   .   .   .   .   .   .   .    3   TRP    QB    parsed_1jcp   3   
        16   1   2   .   .   .   .   .   .   .   .   .    4   GLY    HN    parsed_1jcp   3   
        17   1   1   .   .   .   .   .   .   .   .   .    3   TRP    HD1   parsed_1jcp   3   
        17   1   2   .   .   .   .   .   .   .   .   .    4   GLY    HN    parsed_1jcp   3   
        18   1   1   .   .   .   .   .   .   .   .   .    4   GLY    HN    parsed_1jcp   3   
        18   1   2   .   .   .   .   .   .   .   .   .    4   GLY    QA    parsed_1jcp   3   
        19   1   1   .   .   .   .   .   .   .   .   .    4   GLY    QA    parsed_1jcp   3   
        19   1   2   .   .   .   .   .   .   .   .   .    5   GLS    HN    parsed_1jcp   3   
        20   1   1   .   .   .   .   .   .   .   .   .    5   GLS    HN    parsed_1jcp   3   
        20   1   2   .   .   .   .   .   .   .   .   .    5   GLS    HA    parsed_1jcp   3   
        21   1   1   .   .   .   .   .   .   .   .   .    5   GLS    HN    parsed_1jcp   3   
        21   1   2   .   .   .   .   .   .   .   .   .    5   GLS    QG    parsed_1jcp   3   
        22   1   1   .   .   .   .   .   .   .   .   .    5   GLS    HN    parsed_1jcp   3   
        22   1   2   .   .   .   .   .   .   .   .   .    5   GLS    QB    parsed_1jcp   3   
        23   1   1   .   .   .   .   .   .   .   .   .    5   GLS    HA    parsed_1jcp   3   
        23   1   2   .   .   .   .   .   .   .   .   .    6   SER    HN    parsed_1jcp   3   
        24   1   1   .   .   .   .   .   .   .   .   .    5   GLS    QG    parsed_1jcp   3   
        24   1   2   .   .   .   .   .   .   .   .   .    6   SER    HN    parsed_1jcp   3   
        25   1   1   .   .   .   .   .   .   .   .   .    5   GLS    QB    parsed_1jcp   3   
        25   1   2   .   .   .   .   .   .   .   .   .    6   SER    HN    parsed_1jcp   3   
        26   1   1   .   .   .   .   .   .   .   .   .    5   GLS    QB    parsed_1jcp   3   
        26   1   2   .   .   .   .   .   .   .   .   .    7   GLY    HN    parsed_1jcp   3   
        27   1   1   .   .   .   .   .   .   .   .   .    5   GLS    QG    parsed_1jcp   3   
        27   1   2   .   .   .   .   .   .   .   .   .    7   GLY    HN    parsed_1jcp   3   
        28   1   1   .   .   .   .   .   .   .   .   .    5   GLS    QB    parsed_1jcp   3   
        28   1   2   .   .   .   .   .   .   .   .   .   11   AMIS   HG    parsed_1jcp   3   
        29   1   1   .   .   .   .   .   .   .   .   .    5   GLS    QG    parsed_1jcp   3   
        29   1   2   .   .   .   .   .   .   .   .   .   11   AMIS   HG    parsed_1jcp   3   
        30   1   1   .   .   .   .   .   .   .   .   .    6   SER    HA    parsed_1jcp   3   
        30   1   2   .   .   .   .   .   .   .   .   .    7   GLY    HN    parsed_1jcp   3   
        31   1   1   .   .   .   .   .   .   .   .   .    6   SER    QB    parsed_1jcp   3   
        31   1   2   .   .   .   .   .   .   .   .   .    7   GLY    HN    parsed_1jcp   3   
        32   1   1   .   .   .   .   .   .   .   .   .    7   GLY    HN    parsed_1jcp   3   
        32   1   2   .   .   .   .   .   .   .   .   .    7   GLY    QA    parsed_1jcp   3   
        33   1   1   .   .   .   .   .   .   .   .   .    7   GLY    HN    parsed_1jcp   3   
        33   1   2   .   .   .   .   .   .   .   .   .    8   LYS    HN    parsed_1jcp   3   
        34   1   1   .   .   .   .   .   .   .   .   .    7   GLY    QA    parsed_1jcp   3   
        34   1   2   .   .   .   .   .   .   .   .   .    8   LYS    HN    parsed_1jcp   3   
        35   1   1   .   .   .   .   .   .   .   .   .    9   LEU    HA    parsed_1jcp   3   
        35   1   2   .   .   .   .   .   .   .   .   .    9   LEU    HG    parsed_1jcp   3   
        36   1   1   .   .   .   .   .   .   .   .   .    9   LEU    HA    parsed_1jcp   3   
        36   1   2   .   .   .   .   .   .   .   .   .    9   LEU    QD1   parsed_1jcp   3   
        37   1   1   .   .   .   .   .   .   .   .   .    9   LEU    HA    parsed_1jcp   3   
        37   1   2   .   .   .   .   .   .   .   .   .    9   LEU    QD2   parsed_1jcp   3   
        38   1   1   .   .   .   .   .   .   .   .   .    9   LEU    HA    parsed_1jcp   3   
        38   1   2   .   .   .   .   .   .   .   .   .   10   ILE    HN    parsed_1jcp   3   
        39   1   1   .   .   .   .   .   .   .   .   .    9   LEU    QB    parsed_1jcp   3   
        39   1   2   .   .   .   .   .   .   .   .   .   10   ILE    HN    parsed_1jcp   3   
        40   1   1   .   .   .   .   .   .   .   .   .    9   LEU    HG    parsed_1jcp   3   
        40   1   2   .   .   .   .   .   .   .   .   .   10   ILE    HN    parsed_1jcp   3   
        41   1   1   .   .   .   .   .   .   .   .   .   10   ILE    HN    parsed_1jcp   3   
        41   1   2   .   .   .   .   .   .   .   .   .   10   ILE    HA    parsed_1jcp   3   
        42   1   1   .   .   .   .   .   .   .   .   .   10   ILE    HN    parsed_1jcp   3   
        42   1   2   .   .   .   .   .   .   .   .   .   10   ILE    HB    parsed_1jcp   3   
        43   1   1   .   .   .   .   .   .   .   .   .   10   ILE    HN    parsed_1jcp   3   
        43   1   2   .   .   .   .   .   .   .   .   .   10   ILE    QG2   parsed_1jcp   3   
        44   1   1   .   .   .   .   .   .   .   .   .   10   ILE    HN    parsed_1jcp   3   
        44   1   2   .   .   .   .   .   .   .   .   .   10   ILE    QD1   parsed_1jcp   3   
        45   1   1   .   .   .   .   .   .   .   .   .   10   ILE    HN    parsed_1jcp   3   
        45   1   2   .   .   .   .   .   .   .   .   .   11   AMIS   HN    parsed_1jcp   3   
        46   1   1   .   .   .   .   .   .   .   .   .   10   ILE    HA    parsed_1jcp   3   
        46   1   2   .   .   .   .   .   .   .   .   .   11   AMIS   HN    parsed_1jcp   3   
        47   1   1   .   .   .   .   .   .   .   .   .   10   ILE    HB    parsed_1jcp   3   
        47   1   2   .   .   .   .   .   .   .   .   .   11   AMIS   HN    parsed_1jcp   3   
        48   1   1   .   .   .   .   .   .   .   .   .   10   ILE    QG2   parsed_1jcp   3   
        48   1   2   .   .   .   .   .   .   .   .   .   11   AMIS   HN    parsed_1jcp   3   
        49   1   1   .   .   .   .   .   .   .   .   .   10   ILE    QD1   parsed_1jcp   3   
        49   1   2   .   .   .   .   .   .   .   .   .   11   AMIS   HN    parsed_1jcp   3   
        50   1   1   .   .   .   .   .   .   .   .   .   10   ILE    QD1   parsed_1jcp   3   
        50   1   2   .   .   .   .   .   .   .   .   .   11   AMIS   HG    parsed_1jcp   3   
        51   1   1   .   .   .   .   .   .   .   .   .   10   ILE    QD1   parsed_1jcp   3   
        51   1   2   .   .   .   .   .   .   .   .   .   12   THR    HN    parsed_1jcp   3   
        52   1   1   .   .   .   .   .   .   .   .   .   11   AMIS   HN    parsed_1jcp   3   
        52   1   2   .   .   .   .   .   .   .   .   .   11   AMIS   HA    parsed_1jcp   3   
        53   1   1   .   .   .   .   .   .   .   .   .   11   AMIS   HN    parsed_1jcp   3   
        53   1   2   .   .   .   .   .   .   .   .   .   11   AMIS   QB    parsed_1jcp   3   
        54   1   1   .   .   .   .   .   .   .   .   .   11   AMIS   HN    parsed_1jcp   3   
        54   1   2   .   .   .   .   .   .   .   .   .   12   THR    HN    parsed_1jcp   3   
        55   1   1   .   .   .   .   .   .   .   .   .   11   AMIS   HA    parsed_1jcp   3   
        55   1   2   .   .   .   .   .   .   .   .   .   12   THR    HN    parsed_1jcp   3   
        56   1   1   .   .   .   .   .   .   .   .   .   11   AMIS   QB    parsed_1jcp   3   
        56   1   2   .   .   .   .   .   .   .   .   .   12   THR    HN    parsed_1jcp   3   
        57   1   1   .   .   .   .   .   .   .   .   .   12   THR    HN    parsed_1jcp   3   
        57   1   2   .   .   .   .   .   .   .   .   .   13   THR    HN    parsed_1jcp   3   
        58   1   1   .   .   .   .   .   .   .   .   .   12   THR    HA    parsed_1jcp   3   
        58   1   2   .   .   .   .   .   .   .   .   .   13   THR    HN    parsed_1jcp   3   
        59   1   1   .   .   .   .   .   .   .   .   .   13   THR    HN    parsed_1jcp   3   
        59   1   2   .   .   .   .   .   .   .   .   .   13   THR    HA    parsed_1jcp   3   
        60   1   1   .   .   .   .   .   .   .   .   .   13   THR    HN    parsed_1jcp   3   
        60   1   2   .   .   .   .   .   .   .   .   .   13   THR    HB    parsed_1jcp   3   
        61   1   1   .   .   .   .   .   .   .   .   .   13   THR    HN    parsed_1jcp   3   
        61   1   2   .   .   .   .   .   .   .   .   .   13   THR    QG2   parsed_1jcp   3   
        62   1   1   .   .   .   .   .   .   .   .   .   14   ALA    HN    parsed_1jcp   3   
        62   1   2   .   .   .   .   .   .   .   .   .   14   ALA    QB    parsed_1jcp   3   
    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   .   .   .   .   .   .   2.80   .   parsed_1jcp   3   
         2   1   .   .   .   .   .   .   2.80   .   parsed_1jcp   3   
         3   1   .   .   .   .   .   .   3.80   .   parsed_1jcp   3   
         4   1   .   .   .   .   .   .   3.80   .   parsed_1jcp   3   
         5   1   .   .   .   .   .   .   3.50   .   parsed_1jcp   3   
         6   1   .   .   .   .   .   .   1.80   .   parsed_1jcp   3   
         7   1   .   .   .   .   .   .   4.80   .   parsed_1jcp   3   
         8   1   .   .   .   .   .   .   2.80   .   parsed_1jcp   3   
         9   1   .   .   .   .   .   .   3.80   .   parsed_1jcp   3   
        10   1   .   .   .   .   .   .   3.80   .   parsed_1jcp   3   
        11   1   .   .   .   .   .   .   4.50   .   parsed_1jcp   3   
        12   1   .   .   .   .   .   .   2.80   .   parsed_1jcp   3   
        13   1   .   .   .   .   .   .   2.80   .   parsed_1jcp   3   
        14   1   .   .   .   .   .   .   3.00   .   parsed_1jcp   3   
        15   1   .   .   .   .   .   .   2.20   .   parsed_1jcp   3   
        16   1   .   .   .   .   .   .   2.80   .   parsed_1jcp   3   
        17   1   .   .   .   .   .   .   3.80   .   parsed_1jcp   3   
        18   1   .   .   .   .   .   .   1.80   .   parsed_1jcp   3   
        19   1   .   .   .   .   .   .   3.20   .   parsed_1jcp   3   
        20   1   .   .   .   .   .   .   2.80   .   parsed_1jcp   3   
        21   1   .   .   .   .   .   .   2.80   .   parsed_1jcp   3   
        22   1   .   .   .   .   .   .   2.80   .   parsed_1jcp   3   
        23   1   .   .   .   .   .   .   1.80   .   parsed_1jcp   3   
        24   1   .   .   .   .   .   .   3.80   .   parsed_1jcp   3   
        25   1   .   .   .   .   .   .   3.80   .   parsed_1jcp   3   
        26   1   .   .   .   .   .   .   4.50   .   parsed_1jcp   3   
        27   1   .   .   .   .   .   .   4.50   .   parsed_1jcp   3   
        28   1   .   .   .   .   .   .   3.80   .   parsed_1jcp   3   
        29   1   .   .   .   .   .   .   2.50   .   parsed_1jcp   3   
        30   1   .   .   .   .   .   .   1.80   .   parsed_1jcp   3   
        31   1   .   .   .   .   .   .   3.80   .   parsed_1jcp   3   
        32   1   .   .   .   .   .   .   1.80   .   parsed_1jcp   3   
        33   1   .   .   .   .   .   .   2.80   .   parsed_1jcp   3   
        34   1   .   .   .   .   .   .   2.80   .   parsed_1jcp   3   
        35   1   .   .   .   .   .   .   2.80   .   parsed_1jcp   3   
        36   1   .   .   .   .   .   .   3.80   .   parsed_1jcp   3   
        37   1   .   .   .   .   .   .   3.80   .   parsed_1jcp   3   
        38   1   .   .   .   .   .   .   2.20   .   parsed_1jcp   3   
        39   1   .   .   .   .   .   .   3.80   .   parsed_1jcp   3   
        40   1   .   .   .   .   .   .   3.80   .   parsed_1jcp   3   
        41   1   .   .   .   .   .   .   2.80   .   parsed_1jcp   3   
        42   1   .   .   .   .   .   .   2.80   .   parsed_1jcp   3   
        43   1   .   .   .   .   .   .   3.20   .   parsed_1jcp   3   
        44   1   .   .   .   .   .   .   3.80   .   parsed_1jcp   3   
        45   1   .   .   .   .   .   .   2.80   .   parsed_1jcp   3   
        46   1   .   .   .   .   .   .   2.50   .   parsed_1jcp   3   
        47   1   .   .   .   .   .   .   3.50   .   parsed_1jcp   3   
        48   1   .   .   .   .   .   .   4.80   .   parsed_1jcp   3   
        49   1   .   .   .   .   .   .   3.80   .   parsed_1jcp   3   
        50   1   .   .   .   .   .   .   5.50   .   parsed_1jcp   3   
        51   1   .   .   .   .   .   .   5.50   .   parsed_1jcp   3   
        52   1   .   .   .   .   .   .   2.80   .   parsed_1jcp   3   
        53   1   .   .   .   .   .   .   2.95   .   parsed_1jcp   3   
        54   1   .   .   .   .   .   .   2.80   .   parsed_1jcp   3   
        55   1   .   .   .   .   .   .   2.80   .   parsed_1jcp   3   
        56   1   .   .   .   .   .   .   3.29   .   parsed_1jcp   3   
        57   1   .   .   .   .   .   .   2.80   .   parsed_1jcp   3   
        58   1   .   .   .   .   .   .   2.80   .   parsed_1jcp   3   
        59   1   .   .   .   .   .   .   2.80   .   parsed_1jcp   3   
        60   1   .   .   .   .   .   .   2.80   .   parsed_1jcp   3   
        61   1   .   .   .   .   .   .   3.80   .   parsed_1jcp   3   
        62   1   .   .   .   .   .   .   1.80   .   parsed_1jcp   3   
    stop_

save_


save_DYANA/DIANA_distance_constraints_7
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_1jcp 
    _Distance_constraint_list.ID                  4 
    _Distance_constraint_list.Constraint_type    "general distance" 
    _Distance_constraint_list.Constraint_file_ID  1 
    _Distance_constraint_list.Block_ID            7 
    _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_1jcp   4   
         2   1   .   .   .   parsed_1jcp   4   
         3   1   .   .   .   parsed_1jcp   4   
         4   1   .   .   .   parsed_1jcp   4   
         5   1   .   .   .   parsed_1jcp   4   
         6   1   .   .   .   parsed_1jcp   4   
         7   1   .   .   .   parsed_1jcp   4   
         8   1   .   .   .   parsed_1jcp   4   
         9   1   .   .   .   parsed_1jcp   4   
        10   1   .   .   .   parsed_1jcp   4   
        11   1   .   .   .   parsed_1jcp   4   
        12   1   .   .   .   parsed_1jcp   4   
    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   .   .   .   .   .   .   .   .   .    5   GLS    QG    parsed_1jcp   4   
         1   1   2   .   .   .   .   .   .   .   .   .   11   AMIS   QB    parsed_1jcp   4   
         2   1   1   .   .   .   .   .   .   .   .   .    5   GLS    QG    parsed_1jcp   4   
         2   1   2   .   .   .   .   .   .   .   .   .   11   AMIS   HA    parsed_1jcp   4   
         3   1   1   .   .   .   .   .   .   .   .   .    5   GLS    QG    parsed_1jcp   4   
         3   1   2   .   .   .   .   .   .   .   .   .    6   SER    HA    parsed_1jcp   4   
         4   1   1   .   .   .   .   .   .   .   .   .    5   GLS    QG    parsed_1jcp   4   
         4   1   2   .   .   .   .   .   .   .   .   .    6   SER    HA    parsed_1jcp   4   
         5   1   1   .   .   .   .   .   .   .   .   .    5   GLS    CD    parsed_1jcp   4   
         5   1   2   .   .   .   .   .   .   .   .   .   11   AMIS   NG    parsed_1jcp   4   
         6   1   1   .   .   .   .   .   .   .   .   .    5   GLS    OD1   parsed_1jcp   4   
         6   1   2   .   .   .   .   .   .   .   .   .   11   AMIS   HG    parsed_1jcp   4   
         7   1   1   .   .   .   .   .   .   .   .   .    5   GLS    CG    parsed_1jcp   4   
         7   1   2   .   .   .   .   .   .   .   .   .   11   AMIS   NG    parsed_1jcp   4   
         8   1   1   .   .   .   .   .   .   .   .   .    5   GLS    OD1   parsed_1jcp   4   
         8   1   2   .   .   .   .   .   .   .   .   .   11   AMIS   NG    parsed_1jcp   4   
         9   1   1   .   .   .   .   .   .   .   .   .    5   GLS    CD    parsed_1jcp   4   
         9   1   2   .   .   .   .   .   .   .   .   .   11   AMIS   CB    parsed_1jcp   4   
        10   1   1   .   .   .   .   .   .   .   .   .    5   GLS    CD    parsed_1jcp   4   
        10   1   2   .   .   .   .   .   .   .   .   .   11   AMIS   HG    parsed_1jcp   4   
        11   1   1   .   .   .   .   .   .   .   .   .    5   GLS    CG    parsed_1jcp   4   
        11   1   2   .   .   .   .   .   .   .   .   .   11   AMIS   HG    parsed_1jcp   4   
        12   1   1   .   .   .   .   .   .   .   .   .    5   GLS    OD1   parsed_1jcp   4   
        12   1   2   .   .   .   .   .   .   .   .   .   11   AMIS   CB    parsed_1jcp   4   
    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   .   .   .   .   .   .   3.80   .   parsed_1jcp   4   
         2   1   .   .   .   .   .   .   3.80   .   parsed_1jcp   4   
         3   1   .   .   .   .   .   .   3.80   .   parsed_1jcp   4   
         4   1   .   .   .   .   .   .   3.80   .   parsed_1jcp   4   
         5   1   .   .   .   .   .   .   1.3    .   parsed_1jcp   4   
         6   1   .   .   .   .   .   .   3.1    .   parsed_1jcp   4   
         7   1   .   .   .   .   .   .   2.3    .   parsed_1jcp   4   
         8   1   .   .   .   .   .   .   2.2    .   parsed_1jcp   4   
         9   1   .   .   .   .   .   .   2.4    .   parsed_1jcp   4   
        10   1   .   .   .   .   .   .   2.0    .   parsed_1jcp   4   
        11   1   .   .   .   .   .   .   2.4    .   parsed_1jcp   4   
        12   1   .   .   .   .   .   .   2.7    .   parsed_1jcp   4   
    stop_

save_





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