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
602057 2n4h 25668 cing 2-parsed STAR entry full 71


data_2n4h_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2n4h 
    _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_2n4h   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2n4h 
    _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   2n4h   "Master copy"    parsed_2n4h   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2n4h 
    _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   2n4h.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"     0   parsed_2n4h   1   
        1   2n4h.mr   .   .    XPLOR/CNS     2    distance                  NOE                 ambi               71   parsed_2n4h   1   
        1   2n4h.mr   .   .   "MR format"    3   "nomenclature mapping"    "Not applicable"    "Not applicable"     0   parsed_2n4h   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_2n4h 
    _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    DNA BINDING PROTEIN                     18-JUN-15   2N4H              
*TITLE     SOLUTION STRUCTURE OF THE Q343R MUTANT OF TDP-43 AMYLOIDOGENIC CORE   
*TITLE    2 REGION                                                               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: TAR DNA-BINDING PROTEIN 43;                                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 311-360;                                      
*COMPND   5 SYNONYM: TDP-43;                                                     
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: TARDBP, TDP43;                                                 
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;                               
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR: PHGB                                       
*KEYWDS    TDP-43, AMYLOIDOGENIC CORE REGION, Q343R, DNA BINDING PROTEIN         
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    L.JIANG, J.ZHAO, H.HU                                                 
*REVDAT   1   20-APR-16 2N4H    0                                                


;

save_


save_CNS/XPLOR_distance_constraints_2
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_2n4h 
    _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_2n4h   1   
         2   1    .    .   .    parsed_2n4h   1   
         3   1    .    .   .    parsed_2n4h   1   
         4   1    .    .   .    parsed_2n4h   1   
         5   1    .    .   .    parsed_2n4h   1   
         6   1    .    .   .    parsed_2n4h   1   
         7   1    .    .   .    parsed_2n4h   1   
         8   1    .    .   .    parsed_2n4h   1   
         9   1   2    .   OR   parsed_2n4h   1   
         9   2    .   3   .    parsed_2n4h   1   
         9   3    .   4   .    parsed_2n4h   1   
         9   4    .    .   .    parsed_2n4h   1   
        10   1    .    .   .    parsed_2n4h   1   
        11   1    .    .   .    parsed_2n4h   1   
        12   1   2    .   OR   parsed_2n4h   1   
        12   2    .   3   .    parsed_2n4h   1   
        12   3    .   4   .    parsed_2n4h   1   
        12   4    .    .   .    parsed_2n4h   1   
        13   1    .    .   .    parsed_2n4h   1   
        14   1    .    .   .    parsed_2n4h   1   
        15   1    .    .   .    parsed_2n4h   1   
        16   1    .    .   .    parsed_2n4h   1   
        17   1    .    .   .    parsed_2n4h   1   
        18   1    .    .   .    parsed_2n4h   1   
        19   1    .    .   .    parsed_2n4h   1   
        20   1   2    .   OR   parsed_2n4h   1   
        20   2    .   3   .    parsed_2n4h   1   
        20   3    .   4   .    parsed_2n4h   1   
        20   4    .    .   .    parsed_2n4h   1   
        21   1    .    .   .    parsed_2n4h   1   
        22   1    .    .   .    parsed_2n4h   1   
        23   1    .    .   .    parsed_2n4h   1   
        24   1    .    .   .    parsed_2n4h   1   
        25   1   2    .   OR   parsed_2n4h   1   
        25   2    .   3   .    parsed_2n4h   1   
        25   3    .   4   .    parsed_2n4h   1   
        25   4    .    .   .    parsed_2n4h   1   
        26   1    .    .   .    parsed_2n4h   1   
        27   1    .    .   .    parsed_2n4h   1   
        28   1    .    .   .    parsed_2n4h   1   
        29   1    .    .   .    parsed_2n4h   1   
        30   1    .    .   .    parsed_2n4h   1   
        31   1    .    .   .    parsed_2n4h   1   
        32   1    .    .   .    parsed_2n4h   1   
        33   1    .    .   .    parsed_2n4h   1   
        34   1    .    .   .    parsed_2n4h   1   
        35   1    .    .   .    parsed_2n4h   1   
        36   1    .    .   .    parsed_2n4h   1   
        37   1    .    .   .    parsed_2n4h   1   
        38   1    .    .   .    parsed_2n4h   1   
        39   1    .    .   .    parsed_2n4h   1   
        40   1    .    .   .    parsed_2n4h   1   
        41   1    .    .   .    parsed_2n4h   1   
        42   1    .    .   .    parsed_2n4h   1   
        43   1   2    .   OR   parsed_2n4h   1   
        43   2    .   3   .    parsed_2n4h   1   
        43   3    .   4   .    parsed_2n4h   1   
        43   4    .    .   .    parsed_2n4h   1   
        44   1    .    .   .    parsed_2n4h   1   
        45   1    .    .   .    parsed_2n4h   1   
        46   1    .    .   .    parsed_2n4h   1   
        47   1    .    .   .    parsed_2n4h   1   
        48   1    .    .   .    parsed_2n4h   1   
        49   1    .    .   .    parsed_2n4h   1   
        50   1    .    .   .    parsed_2n4h   1   
        51   1    .    .   .    parsed_2n4h   1   
        52   1    .    .   .    parsed_2n4h   1   
        53   1    .    .   .    parsed_2n4h   1   
        54   1    .    .   .    parsed_2n4h   1   
        55   1    .    .   .    parsed_2n4h   1   
        56   1    .    .   .    parsed_2n4h   1   
        57   1    .    .   .    parsed_2n4h   1   
        58   1    .    .   .    parsed_2n4h   1   
        59   1    .    .   .    parsed_2n4h   1   
        60   1    .    .   .    parsed_2n4h   1   
        61   1    .    .   .    parsed_2n4h   1   
        62   1    .    .   .    parsed_2n4h   1   
        63   1   2    .   OR   parsed_2n4h   1   
        63   2    .   3   .    parsed_2n4h   1   
        63   3    .   4   .    parsed_2n4h   1   
        63   4    .    .   .    parsed_2n4h   1   
        64   1    .    .   .    parsed_2n4h   1   
        65   1    .    .   .    parsed_2n4h   1   
        66   1    .    .   .    parsed_2n4h   1   
        67   1    .    .   .    parsed_2n4h   1   
        68   1    .    .   .    parsed_2n4h   1   
        69   1    .    .   .    parsed_2n4h   1   
        70   1    .    .   .    parsed_2n4h   1   
        71   1    .    .   .    parsed_2n4h   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   .   .   .   .   .   .   .   .   "    "    330   .   HA     parsed_2n4h   1   
         1   1   2   .   .   .   .   .   .   .   .   "    "    330   .   HN     parsed_2n4h   1   
         2   1   1   .   .   .   .   .   .   .   .   "    "    336   .   HA     parsed_2n4h   1   
         2   1   2   .   .   .   .   .   .   .   .   "    "    336   .   HN     parsed_2n4h   1   
         3   1   1   .   .   .   .   .   .   .   .   "    "    336   .   HA     parsed_2n4h   1   
         3   1   2   .   .   .   .   .   .   .   .   "    "    336   .   HG1    parsed_2n4h   1   
         4   1   1   .   .   .   .   .   .   .   .   "    "    336   .   HA     parsed_2n4h   1   
         4   1   2   .   .   .   .   .   .   .   .   "    "    336   .   HB2    parsed_2n4h   1   
         5   1   1   .   .   .   .   .   .   .   .   "    "    330   .   HA     parsed_2n4h   1   
         5   1   2   .   .   .   .   .   .   .   .   "    "    330   .   HG     parsed_2n4h   1   
         6   1   1   .   .   .   .   .   .   .   .   "    "    330   .   HA     parsed_2n4h   1   
         6   1   2   .   .   .   .   .   .   .   .   "    "    330   .   HB1    parsed_2n4h   1   
         7   1   1   .   .   .   .   .   .   .   .   "    "    330   .   HA     parsed_2n4h   1   
         7   1   2   .   .   .   .   .   .   .   .   "    "    330   .   HB2    parsed_2n4h   1   
         8   1   1   .   .   .   .   .   .   .   .   "    "    321   .   HA     parsed_2n4h   1   
         8   1   2   .   .   .   .   .   .   .   .   "    "    321   .   HN     parsed_2n4h   1   
         9   2   1   .   .   .   .   .   .   .   .   "    "    321   .   HA     parsed_2n4h   1   
         9   2   2   .   .   .   .   .   .   .   .   "    "    321   .   HB2    parsed_2n4h   1   
         9   3   1   .   .   .   .   .   .   .   .   "    "    321   .   HA     parsed_2n4h   1   
         9   3   2   .   .   .   .   .   .   .   .   "    "    321   .   HB1    parsed_2n4h   1   
         9   4   1   .   .   .   .   .   .   .   .   "    "    321   .   HA     parsed_2n4h   1   
         9   4   2   .   .   .   .   .   .   .   .   "    "    321   .   HB3    parsed_2n4h   1   
        10   1   1   .   .   .   .   .   .   .   .   "    "    322   .   HA     parsed_2n4h   1   
        10   1   2   .   .   .   .   .   .   .   .   "    "    322   .   HB1    parsed_2n4h   1   
        11   1   1   .   .   .   .   .   .   .   .   "    "    322   .   HA     parsed_2n4h   1   
        11   1   2   .   .   .   .   .   .   .   .   "    "    322   .   HB2    parsed_2n4h   1   
        12   2   1   .   .   .   .   .   .   .   .   "    "    324   .   HA     parsed_2n4h   1   
        12   2   2   .   .   .   .   .   .   .   .   "    "    324   .   HB2    parsed_2n4h   1   
        12   3   1   .   .   .   .   .   .   .   .   "    "    324   .   HA     parsed_2n4h   1   
        12   3   2   .   .   .   .   .   .   .   .   "    "    324   .   HB1    parsed_2n4h   1   
        12   4   1   .   .   .   .   .   .   .   .   "    "    324   .   HA     parsed_2n4h   1   
        12   4   2   .   .   .   .   .   .   .   .   "    "    324   .   HB3    parsed_2n4h   1   
        13   1   1   .   .   .   .   .   .   .   .   "    "    324   .   HA     parsed_2n4h   1   
        13   1   2   .   .   .   .   .   .   .   .   "    "    327   .   HN     parsed_2n4h   1   
        14   1   1   .   .   .   .   .   .   .   .   "    "    334   .   HN     parsed_2n4h   1   
        14   1   2   .   .   .   .   .   .   .   .   "    "    334   .   HA     parsed_2n4h   1   
        15   1   1   .   .   .   .   .   .   .   .   "    "    340   .   HA     parsed_2n4h   1   
        15   1   2   .   .   .   .   .   .   .   .   "    "    340   .   HB2    parsed_2n4h   1   
        16   1   1   .   .   .   .   .   .   .   .   "    "    343   .   HA     parsed_2n4h   1   
        16   1   2   .   .   .   .   .   .   .   .   "    "    343   .   HB1    parsed_2n4h   1   
        17   1   1   .   .   .   .   .   .   .   .   "    "    343   .   HA     parsed_2n4h   1   
        17   1   2   .   .   .   .   .   .   .   .   "    "    343   .   HB2    parsed_2n4h   1   
        18   1   1   .   .   .   .   .   .   .   .   "    "    343   .   HA     parsed_2n4h   1   
        18   1   2   .   .   .   .   .   .   .   .   "    "    343   .   HG2    parsed_2n4h   1   
        19   1   1   .   .   .   .   .   .   .   .   "    "    330   .   HN     parsed_2n4h   1   
        19   1   2   .   .   .   .   .   .   .   .   "    "    329   .   HA     parsed_2n4h   1   
        20   2   1   .   .   .   .   .   .   .   .   "    "    321   .   HN     parsed_2n4h   1   
        20   2   2   .   .   .   .   .   .   .   .   "    "    324   .   HB2    parsed_2n4h   1   
        20   3   1   .   .   .   .   .   .   .   .   "    "    321   .   HN     parsed_2n4h   1   
        20   3   2   .   .   .   .   .   .   .   .   "    "    324   .   HB1    parsed_2n4h   1   
        20   4   1   .   .   .   .   .   .   .   .   "    "    321   .   HN     parsed_2n4h   1   
        20   4   2   .   .   .   .   .   .   .   .   "    "    324   .   HB3    parsed_2n4h   1   
        21   1   1   .   .   .   .   .   .   .   .   "    "    322   .   HN     parsed_2n4h   1   
        21   1   2   .   .   .   .   .   .   .   .   "    "    322   .   HA     parsed_2n4h   1   
        22   1   1   .   .   .   .   .   .   .   .   "    "    322   .   HN     parsed_2n4h   1   
        22   1   2   .   .   .   .   .   .   .   .   "    "    322   .   HB2    parsed_2n4h   1   
        23   1   1   .   .   .   .   .   .   .   .   "    "    323   .   HN     parsed_2n4h   1   
        23   1   2   .   .   .   .   .   .   .   .   "    "    323   .   HA     parsed_2n4h   1   
        24   1   1   .   .   .   .   .   .   .   .   "    "    324   .   HN     parsed_2n4h   1   
        24   1   2   .   .   .   .   .   .   .   .   "    "    324   .   HA     parsed_2n4h   1   
        25   2   1   .   .   .   .   .   .   .   .   "    "    315   .   HN     parsed_2n4h   1   
        25   2   2   .   .   .   .   .   .   .   .   "    "    315   .   HB2    parsed_2n4h   1   
        25   3   1   .   .   .   .   .   .   .   .   "    "    315   .   HN     parsed_2n4h   1   
        25   3   2   .   .   .   .   .   .   .   .   "    "    315   .   HB1    parsed_2n4h   1   
        25   4   1   .   .   .   .   .   .   .   .   "    "    315   .   HN     parsed_2n4h   1   
        25   4   2   .   .   .   .   .   .   .   .   "    "    315   .   HB3    parsed_2n4h   1   
        26   1   1   .   .   .   .   .   .   .   .   "    "    329   .   HN     parsed_2n4h   1   
        26   1   2   .   .   .   .   .   .   .   .   "    "    329   .   HA     parsed_2n4h   1   
        27   1   1   .   .   .   .   .   .   .   .   "    "    332   .   HN     parsed_2n4h   1   
        27   1   2   .   .   .   .   .   .   .   .   "    "    332   .   HA     parsed_2n4h   1   
        28   1   1   .   .   .   .   .   .   .   .   "    "    332   .   HN     parsed_2n4h   1   
        28   1   2   .   .   .   .   .   .   .   .   "    "    332   .   HB2    parsed_2n4h   1   
        29   1   1   .   .   .   .   .   .   .   .   "    "    333   .   HN     parsed_2n4h   1   
        29   1   2   .   .   .   .   .   .   .   .   "    "    333   .   HA     parsed_2n4h   1   
        30   1   1   .   .   .   .   .   .   .   .   "    "    333   .   HN     parsed_2n4h   1   
        30   1   2   .   .   .   .   .   .   .   .   "    "    333   .   HB2    parsed_2n4h   1   
        31   1   1   .   .   .   .   .   .   .   .   "    "    335   .   HN     parsed_2n4h   1   
        31   1   2   .   .   .   .   .   .   .   .   "    "    335   .   HA1    parsed_2n4h   1   
        32   1   1   .   .   .   .   .   .   .   .   "    "    336   .   HN     parsed_2n4h   1   
        32   1   2   .   .   .   .   .   .   .   .   "    "    335   .   HA1    parsed_2n4h   1   
        33   1   1   .   .   .   .   .   .   .   .   "    "    336   .   HN     parsed_2n4h   1   
        33   1   2   .   .   .   .   .   .   .   .   "    "    336   .   HB2    parsed_2n4h   1   
        34   1   1   .   .   .   .   .   .   .   .   "    "    338   .   HN     parsed_2n4h   1   
        34   1   2   .   .   .   .   .   .   .   .   "    "    339   .   HA     parsed_2n4h   1   
        35   1   1   .   .   .   .   .   .   .   .   "    "    338   .   HN     parsed_2n4h   1   
        35   1   2   .   .   .   .   .   .   .   .   "    "    338   .   HA1    parsed_2n4h   1   
        36   1   1   .   .   .   .   .   .   .   .   "    "    338   .   HN     parsed_2n4h   1   
        36   1   2   .   .   .   .   .   .   .   .   "    "    339   .   HB1    parsed_2n4h   1   
        37   1   1   .   .   .   .   .   .   .   .   "    "    339   .   HN     parsed_2n4h   1   
        37   1   2   .   .   .   .   .   .   .   .   "    "    338   .   HA1    parsed_2n4h   1   
        38   1   1   .   .   .   .   .   .   .   .   "    "    339   .   HN     parsed_2n4h   1   
        38   1   2   .   .   .   .   .   .   .   .   "    "    339   .   HA     parsed_2n4h   1   
        39   1   1   .   .   .   .   .   .   .   .   "    "    339   .   HN     parsed_2n4h   1   
        39   1   2   .   .   .   .   .   .   .   .   "    "    339   .   HB2    parsed_2n4h   1   
        40   1   1   .   .   .   .   .   .   .   .   "    "    339   .   HN     parsed_2n4h   1   
        40   1   2   .   .   .   .   .   .   .   .   "    "    339   .   HB1    parsed_2n4h   1   
        41   1   1   .   .   .   .   .   .   .   .   "    "    340   .   HN     parsed_2n4h   1   
        41   1   2   .   .   .   .   .   .   .   .   "    "    340   .   HA     parsed_2n4h   1   
        42   1   1   .   .   .   .   .   .   .   .   "    "    340   .   HN     parsed_2n4h   1   
        42   1   2   .   .   .   .   .   .   .   .   "    "    340   .   HG     parsed_2n4h   1   
        43   2   1   .   .   .   .   .   .   .   .   "    "    341   .   HN     parsed_2n4h   1   
        43   2   2   .   .   .   .   .   .   .   .   "    "    341   .   HB2    parsed_2n4h   1   
        43   3   1   .   .   .   .   .   .   .   .   "    "    341   .   HN     parsed_2n4h   1   
        43   3   2   .   .   .   .   .   .   .   .   "    "    341   .   HB1    parsed_2n4h   1   
        43   4   1   .   .   .   .   .   .   .   .   "    "    341   .   HN     parsed_2n4h   1   
        43   4   2   .   .   .   .   .   .   .   .   "    "    341   .   HB3    parsed_2n4h   1   
        44   1   1   .   .   .   .   .   .   .   .   "    "    342   .   HN     parsed_2n4h   1   
        44   1   2   .   .   .   .   .   .   .   .   "    "    342   .   HA     parsed_2n4h   1   
        45   1   1   .   .   .   .   .   .   .   .   "    "    342   .   HN     parsed_2n4h   1   
        45   1   2   .   .   .   .   .   .   .   .   "    "    342   .   HB2    parsed_2n4h   1   
        46   1   1   .   .   .   .   .   .   .   .   "    "    343   .   HN     parsed_2n4h   1   
        46   1   2   .   .   .   .   .   .   .   .   "    "    343   .   HA     parsed_2n4h   1   
        47   1   1   .   .   .   .   .   .   .   .   "    "    343   .   HN     parsed_2n4h   1   
        47   1   2   .   .   .   .   .   .   .   .   "    "    342   .   HB2    parsed_2n4h   1   
        48   1   1   .   .   .   .   .   .   .   .   "    "    343   .   HN     parsed_2n4h   1   
        48   1   2   .   .   .   .   .   .   .   .   "    "    343   .   HB1    parsed_2n4h   1   
        49   1   1   .   .   .   .   .   .   .   .   "    "    344   .   HN     parsed_2n4h   1   
        49   1   2   .   .   .   .   .   .   .   .   "    "    344   .   HA     parsed_2n4h   1   
        50   1   1   .   .   .   .   .   .   .   .   "    "    345   .   HN     parsed_2n4h   1   
        50   1   2   .   .   .   .   .   .   .   .   "    "    345   .   HA     parsed_2n4h   1   
        51   1   1   .   .   .   .   .   .   .   .   "    "    347   .   HN     parsed_2n4h   1   
        51   1   2   .   .   .   .   .   .   .   .   "    "    347   .   HA     parsed_2n4h   1   
        52   1   1   .   .   .   .   .   .   .   .   "    "    348   .   HN     parsed_2n4h   1   
        52   1   2   .   .   .   .   .   .   .   .   "    "    348   .   HA1    parsed_2n4h   1   
        53   1   1   .   .   .   .   .   .   .   .   "    "    350   .   HN     parsed_2n4h   1   
        53   1   2   .   .   .   .   .   .   .   .   "    "    350   .   HA     parsed_2n4h   1   
        54   1   1   .   .   .   .   .   .   .   .   "    "    350   .   HN     parsed_2n4h   1   
        54   1   2   .   .   .   .   .   .   .   .   "    "    350   .   HB2    parsed_2n4h   1   
        55   1   1   .   .   .   .   .   .   .   .   "    "    351   .   HN     parsed_2n4h   1   
        55   1   2   .   .   .   .   .   .   .   .   "    "    351   .   HA1    parsed_2n4h   1   
        56   1   1   .   .   .   .   .   .   .   .   "    "    355   .   HN     parsed_2n4h   1   
        56   1   2   .   .   .   .   .   .   .   .   "    "    355   .   HA     parsed_2n4h   1   
        57   1   1   .   .   .   .   .   .   .   .   "    "    355   .   HN     parsed_2n4h   1   
        57   1   2   .   .   .   .   .   .   .   .   "    "    355   .   HB1    parsed_2n4h   1   
        58   1   1   .   .   .   .   .   .   .   .   "    "    355   .   HN     parsed_2n4h   1   
        58   1   2   .   .   .   .   .   .   .   .   "    "    355   .   HB2    parsed_2n4h   1   
        59   1   1   .   .   .   .   .   .   .   .   "    "    357   .   HN     parsed_2n4h   1   
        59   1   2   .   .   .   .   .   .   .   .   "    "    357   .   HA1    parsed_2n4h   1   
        60   1   1   .   .   .   .   .   .   .   .   "    "    314   .   HN     parsed_2n4h   1   
        60   1   2   .   .   .   .   .   .   .   .   "    "    314   .   HA1    parsed_2n4h   1   
        61   1   1   .   .   .   .   .   .   .   .   "    "    319   .   HN     parsed_2n4h   1   
        61   1   2   .   .   .   .   .   .   .   .   "    "    319   .   HA     parsed_2n4h   1   
        62   1   1   .   .   .   .   .   .   .   .   "    "    318   .   HN     parsed_2n4h   1   
        62   1   2   .   .   .   .   .   .   .   .   "    "    318   .   HA     parsed_2n4h   1   
        63   2   1   .   .   .   .   .   .   .   .   "    "    318   .   HN     parsed_2n4h   1   
        63   2   2   .   .   .   .   .   .   .   .   "    "    318   .   HD12   parsed_2n4h   1   
        63   3   1   .   .   .   .   .   .   .   .   "    "    318   .   HN     parsed_2n4h   1   
        63   3   2   .   .   .   .   .   .   .   .   "    "    318   .   HD11   parsed_2n4h   1   
        63   4   1   .   .   .   .   .   .   .   .   "    "    318   .   HN     parsed_2n4h   1   
        63   4   2   .   .   .   .   .   .   .   .   "    "    318   .   HD13   parsed_2n4h   1   
        64   1   1   .   .   .   .   .   .   .   .   "    "    317   .   HN     parsed_2n4h   1   
        64   1   2   .   .   .   .   .   .   .   .   "    "    317   .   HA     parsed_2n4h   1   
        65   1   1   .   .   .   .   .   .   .   .   "    "    316   .   HN     parsed_2n4h   1   
        65   1   2   .   .   .   .   .   .   .   .   "    "    316   .   HA     parsed_2n4h   1   
        66   1   1   .   .   .   .   .   .   .   .   "    "    316   .   HN     parsed_2n4h   1   
        66   1   2   .   .   .   .   .   .   .   .   "    "    316   .   HD2    parsed_2n4h   1   
        67   1   1   .   .   .   .   .   .   .   .   "    "    316   .   HN     parsed_2n4h   1   
        67   1   2   .   .   .   .   .   .   .   .   "    "    316   .   HE1    parsed_2n4h   1   
        68   1   1   .   .   .   .   .   .   .   .   "    "    327   .   HN     parsed_2n4h   1   
        68   1   2   .   .   .   .   .   .   .   .   "    "    327   .   HA     parsed_2n4h   1   
        69   1   1   .   .   .   .   .   .   .   .   "    "    321   .   HN     parsed_2n4h   1   
        69   1   2   .   .   .   .   .   .   .   .   "    "    322   .   HB1    parsed_2n4h   1   
        70   1   1   .   .   .   .   .   .   .   .   "    "    340   .   HN     parsed_2n4h   1   
        70   1   2   .   .   .   .   .   .   .   .   "    "    338   .   HA1    parsed_2n4h   1   
        71   1   1   .   .   .   .   .   .   .   .   "    "    340   .   HN     parsed_2n4h   1   
        71   1   2   .   .   .   .   .   .   .   .   "    "    340   .   HB1    parsed_2n4h   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   .   .   .   .   .   2.142   1.569    2.715   parsed_2n4h   1   
         2   1   .   .   .   .   .   3.368   1.950    4.786   parsed_2n4h   1   
         3   1   .   .   .   .   .   2.883   1.844    3.922   parsed_2n4h   1   
         4   1   .   .   .   .   .   4.565   1.960    7.170   parsed_2n4h   1   
         5   1   .   .   .   .   .   5.279   1.795    8.763   parsed_2n4h   1   
         6   1   .   .   .   .   .   2.559   1.741    3.377   parsed_2n4h   1   
         7   1   .   .   .   .   .   2.444   1.697    3.191   parsed_2n4h   1   
         8   1   .   .   .   .   .   2.736   1.800    3.672   parsed_2n4h   1   
         9   2   .   .   .   .   .   3.097   1.898    4.296   parsed_2n4h   1   
         9   3   .   .   .   .   .   3.097   1.898    4.296   parsed_2n4h   1   
         9   4   .   .   .   .   .   3.097   1.898    4.296   parsed_2n4h   1   
        10   1   .   .   .   .   .   3.240   1.928    4.552   parsed_2n4h   1   
        11   1   .   .   .   .   .   3.421   1.958    4.884   parsed_2n4h   1   
        12   2   .   .   .   .   .   8.356   0.000   17.085   parsed_2n4h   1   
        12   3   .   .   .   .   .   8.356   0.000   17.085   parsed_2n4h   1   
        12   4   .   .   .   .   .   8.356   0.000   17.085   parsed_2n4h   1   
        13   1   .   .   .   .   .   8.084   0.000   16.252   parsed_2n4h   1   
        14   1   .   .   .   .   .   2.719   1.795    3.643   parsed_2n4h   1   
        15   1   .   .   .   .   .   1.882   1.439    2.325   parsed_2n4h   1   
        16   1   .   .   .   .   .   3.079   1.894    4.264   parsed_2n4h   1   
        17   1   .   .   .   .   .   3.232   1.926    4.538   parsed_2n4h   1   
        18   1   .   .   .   .   .   2.424   1.690    3.158   parsed_2n4h   1   
        19   1   .   .   .   .   .   2.843   1.833    3.853   parsed_2n4h   1   
        20   2   .   .   .   .   .   2.730   1.798    3.662   parsed_2n4h   1   
        20   3   .   .   .   .   .   2.730   1.798    3.662   parsed_2n4h   1   
        20   4   .   .   .   .   .   2.730   1.798    3.662   parsed_2n4h   1   
        21   1   .   .   .   .   .   3.093   1.898    4.288   parsed_2n4h   1   
        22   1   .   .   .   .   .   2.628   1.765    3.491   parsed_2n4h   1   
        23   1   .   .   .   .   .   3.562   1.976    5.148   parsed_2n4h   1   
        24   1   .   .   .   .   .   2.596   1.754    3.438   parsed_2n4h   1   
        25   2   .   .   .   .   .   2.941   1.860    4.022   parsed_2n4h   1   
        25   3   .   .   .   .   .   2.941   1.860    4.022   parsed_2n4h   1   
        25   4   .   .   .   .   .   2.941   1.860    4.022   parsed_2n4h   1   
        26   1   .   .   .   .   .   2.884   1.844    3.924   parsed_2n4h   1   
        27   1   .   .   .   .   .   2.950   1.862    4.038   parsed_2n4h   1   
        28   1   .   .   .   .   .   3.411   1.957    4.865   parsed_2n4h   1   
        29   1   .   .   .   .   .   2.103   1.550    2.656   parsed_2n4h   1   
        30   1   .   .   .   .   .   2.581   1.748    3.414   parsed_2n4h   1   
        31   1   .   .   .   .   .   2.842   1.832    3.852   parsed_2n4h   1   
        32   1   .   .   .   .   .   2.340   1.656    3.024   parsed_2n4h   1   
        33   1   .   .   .   .   .   2.440   1.696    3.184   parsed_2n4h   1   
        34   1   .   .   .   .   .   3.529   1.972    5.086   parsed_2n4h   1   
        35   1   .   .   .   .   .   2.927   1.856    3.998   parsed_2n4h   1   
        36   1   .   .   .   .   .   3.479   1.966    4.992   parsed_2n4h   1   
        37   1   .   .   .   .   .   2.743   1.802    3.684   parsed_2n4h   1   
        38   1   .   .   .   .   .   3.290   1.937    4.643   parsed_2n4h   1   
        39   1   .   .   .   .   .   3.183   1.917    4.449   parsed_2n4h   1   
        40   1   .   .   .   .   .   2.677   1.781    3.573   parsed_2n4h   1   
        41   1   .   .   .   .   .   2.522   1.727    3.317   parsed_2n4h   1   
        42   1   .   .   .   .   .   1.930   1.464    2.396   parsed_2n4h   1   
        43   2   .   .   .   .   .   2.652   1.773    3.531   parsed_2n4h   1   
        43   3   .   .   .   .   .   2.652   1.773    3.531   parsed_2n4h   1   
        43   4   .   .   .   .   .   2.652   1.773    3.531   parsed_2n4h   1   
        44   1   .   .   .   .   .   3.120   1.903    4.337   parsed_2n4h   1   
        45   1   .   .   .   .   .   3.351   1.947    4.755   parsed_2n4h   1   
        46   1   .   .   .   .   .   2.917   1.853    3.981   parsed_2n4h   1   
        47   1   .   .   .   .   .   3.377   1.951    4.803   parsed_2n4h   1   
        48   1   .   .   .   .   .   3.930   1.999    5.861   parsed_2n4h   1   
        49   1   .   .   .   .   .   2.425   1.690    3.160   parsed_2n4h   1   
        50   1   .   .   .   .   .   2.178   1.585    2.771   parsed_2n4h   1   
        51   1   .   .   .   .   .   3.867   1.998    5.736   parsed_2n4h   1   
        52   1   .   .   .   .   .   3.191   1.918    4.464   parsed_2n4h   1   
        53   1   .   .   .   .   .   3.381   1.952    4.810   parsed_2n4h   1   
        54   1   .   .   .   .   .   3.088   1.896    4.280   parsed_2n4h   1   
        55   1   .   .   .   .   .   4.367   1.983    6.751   parsed_2n4h   1   
        56   1   .   .   .   .   .   5.125   1.842    8.408   parsed_2n4h   1   
        57   1   .   .   .   .   .   3.164   1.912    4.416   parsed_2n4h   1   
        58   1   .   .   .   .   .   3.397   1.955    4.839   parsed_2n4h   1   
        59   1   .   .   .   .   .   3.362   1.949    4.775   parsed_2n4h   1   
        60   1   .   .   .   .   .   2.645   1.771    3.519   parsed_2n4h   1   
        61   1   .   .   .   .   .   3.843   1.997    5.689   parsed_2n4h   1   
        62   1   .   .   .   .   .   2.327   1.650    3.004   parsed_2n4h   1   
        63   2   .   .   .   .   .   3.135   1.907    4.363   parsed_2n4h   1   
        63   3   .   .   .   .   .   3.135   1.907    4.363   parsed_2n4h   1   
        63   4   .   .   .   .   .   3.135   1.907    4.363   parsed_2n4h   1   
        64   1   .   .   .   .   .   2.922   1.855    3.989   parsed_2n4h   1   
        65   1   .   .   .   .   .   2.944   1.861    4.027   parsed_2n4h   1   
        66   1   .   .   .   .   .   3.553   1.975    5.131   parsed_2n4h   1   
        67   1   .   .   .   .   .   3.852   1.997    5.707   parsed_2n4h   1   
        68   1   .   .   .   .   .   2.801   1.820    3.782   parsed_2n4h   1   
        69   1   .   .   .   .   .   2.765   1.809    3.721   parsed_2n4h   1   
        70   1   .   .   .   .   .   3.452   1.963    4.941   parsed_2n4h   1   
        71   1   .   .   .   .   .   2.734   1.799    3.669   parsed_2n4h   1   
    stop_


    loop_
        _Dist_constraint_comment_org.ID 
        _Dist_constraint_comment_org.Comment_text 
        _Dist_constraint_comment_org.Comment_begin_line 
        _Dist_constraint_comment_org.Comment_begin_column 
        _Dist_constraint_comment_org.Comment_end_line 
        _Dist_constraint_comment_org.Comment_end_column 
        _Dist_constraint_comment_org.Entry_ID 
        _Dist_constraint_comment_org.Distance_constraint_list_ID 

         1   "spec=15CNOESY, no=1, id=60, vol=5.610000e+09"      1   127    1   173   parsed_2n4h   1   
         2   "spec=15CNOESY, no=3, id=62, vol=3.710000e+08"      2   127    2   173   parsed_2n4h   1   
         3   "spec=15CNOESY, no=4, id=63, vol=9.420000e+08"      3   127    3   173   parsed_2n4h   1   
         4   "spec=15CNOESY, no=5, id=64, vol=5.980000e+07"      4   127    4   173   parsed_2n4h   1   
         5   "spec=15CNOESY, no=6, id=65, vol=2.500000e+07"      5   127    5   173   parsed_2n4h   1   
         6   "spec=15CNOESY, no=7, id=66, vol=1.930000e+09"      6   127    6   173   parsed_2n4h   1   
         7   "spec=15CNOESY, no=8, id=67, vol=2.540000e+09"      7   127    7   173   parsed_2n4h   1   
         8   "spec=15CNOESY, no=10, id=69, vol=6.130000e+08"     9   127    9   174   parsed_2n4h   1   
         9   "spec=15CNOESY, no=9, id=68, vol=1.290000e+09"      8   127    8   173   parsed_2n4h   1   
        10   "spec=15CNOESY, no=11, id=70, vol=4.680000e+08"    12   127   12   174   parsed_2n4h   1   
        11   "spec=15CNOESY, no=13, id=72, vol=1.590000e+06"    14   127   14   174   parsed_2n4h   1   
        12   "spec=15CNOESY, no=12, id=71, vol=3.380000e+08"    13   127   13   174   parsed_2n4h   1   
        13   "spec=15CNOESY, no=14, id=73, vol=1.940000e+06"    17   127   17   174   parsed_2n4h   1   
        14   "spec=15CNOESY, no=17, id=75, vol=1.340000e+09"    18   127   18   174   parsed_2n4h   1   
        15   "spec=15CNOESY, no=19, id=77, vol=1.220000e+10"    19   127   19   174   parsed_2n4h   1   
        16   "spec=15CNOESY, no=20, id=78, vol=6.360000e+08"    20   127   20   174   parsed_2n4h   1   
        17   "spec=15CNOESY, no=21, id=79, vol=4.750000e+08"    21   127   21   174   parsed_2n4h   1   
        18   "spec=15CNOESY, no=22, id=80, vol=2.670000e+09"    22   127   22   174   parsed_2n4h   1   
        19   "spec=15NNOESY, no=3, id=2, vol=1.050000e+09"      24   127   24   172   parsed_2n4h   1   
        20   "spec=15NNOESY, no=1, id=0, vol=8.240000e+08"      23   127   23   172   parsed_2n4h   1   
        21   "spec=15NNOESY, no=4, id=3, vol=4.970000e+08"      27   127   27   172   parsed_2n4h   1   
        22   "spec=15NNOESY, no=5, id=4, vol=1.320000e+09"      28   127   28   172   parsed_2n4h   1   
        23   "spec=15NNOESY, no=6, id=5, vol=2.130000e+08"      29   127   29   172   parsed_2n4h   1   
        24   "spec=15NNOESY, no=8, id=7, vol=6.720000e+08"      31   127   31   172   parsed_2n4h   1   
        25   "spec=15NNOESY, no=7, id=6, vol=1.420000e+09"      30   127   30   172   parsed_2n4h   1   
        26   "spec=15NNOESY, no=10, id=9, vol=7.550000e+08"     34   127   34   173   parsed_2n4h   1   
        27   "spec=15NNOESY, no=11, id=10, vol=6.590000e+08"    35   127   35   174   parsed_2n4h   1   
        28   "spec=15NNOESY, no=12, id=11, vol=2.760000e+08"    36   127   36   174   parsed_2n4h   1   
        29   "spec=15NNOESY, no=13, id=12, vol=5.020000e+09"    37   127   37   174   parsed_2n4h   1   
        30   "spec=15NNOESY, no=14, id=13, vol=1.470000e+09"    38   127   38   174   parsed_2n4h   1   
        31   "spec=15NNOESY, no=17, id=16, vol=8.250000e+08"    39   127   39   174   parsed_2n4h   1   
        32   "spec=15NNOESY, no=19, id=18, vol=2.650000e+09"    40   127   40   174   parsed_2n4h   1   
        33   "spec=15NNOESY, no=20, id=19, vol=2.060000e+09"    41   127   41   174   parsed_2n4h   1   
        34   "spec=15NNOESY, no=21, id=20, vol=2.250000e+08"    42   127   42   174   parsed_2n4h   1   
        35   "spec=15NNOESY, no=22, id=21, vol=6.910000e+08"    43   127   43   174   parsed_2n4h   1   
        36   "spec=15NNOESY, no=23, id=22, vol=2.450000e+08"    44   127   44   174   parsed_2n4h   1   
        37   "spec=15NNOESY, no=24, id=23, vol=1.020000e+09"    45   127   45   174   parsed_2n4h   1   
        38   "spec=15NNOESY, no=25, id=24, vol=3.430000e+08"    46   127   46   174   parsed_2n4h   1   
        39   "spec=15NNOESY, no=26, id=25, vol=4.180000e+08"    47   127   47   174   parsed_2n4h   1   
        40   "spec=15NNOESY, no=27, id=26, vol=1.180000e+09"    48   127   48   174   parsed_2n4h   1   
        41   "spec=15NNOESY, no=28, id=27, vol=1.690000e+09"    49   127   49   174   parsed_2n4h   1   
        42   "spec=15NNOESY, no=30, id=29, vol=1.250000e+09"    51   127   51   174   parsed_2n4h   1   
        43   "spec=15NNOESY, no=29, id=28, vol=8.410000e+09"    50   127   50   174   parsed_2n4h   1   
        44   "spec=15NNOESY, no=31, id=30, vol=4.710000e+08"    54   127   54   174   parsed_2n4h   1   
        45   "spec=15NNOESY, no=32, id=31, vol=3.070000e+08"    55   127   55   174   parsed_2n4h   1   
        46   "spec=15NNOESY, no=33, id=32, vol=7.050000e+08"    56   127   56   174   parsed_2n4h   1   
        47   "spec=15NNOESY, no=34, id=33, vol=2.930000e+08"    57   127   57   174   parsed_2n4h   1   
        48   "spec=15NNOESY, no=35, id=34, vol=1.180000e+08"    58   127   58   174   parsed_2n4h   1   
        49   "spec=15NNOESY, no=36, id=35, vol=2.140000e+09"    59   127   59   174   parsed_2n4h   1   
        50   "spec=15NNOESY, no=37, id=36, vol=4.070000e+09"    60   127   60   174   parsed_2n4h   1   
        51   "spec=15NNOESY, no=38, id=37, vol=1.300000e+08"    61   127   61   174   parsed_2n4h   1   
        52   "spec=15NNOESY, no=39, id=38, vol=4.120000e+08"    62   127   62   174   parsed_2n4h   1   
        53   "spec=15NNOESY, no=40, id=39, vol=2.910000e+08"    63   127   63   174   parsed_2n4h   1   
        54   "spec=15NNOESY, no=41, id=40, vol=5.010000e+08"    64   127   64   174   parsed_2n4h   1   
        55   "spec=15NNOESY, no=42, id=41, vol=6.270000e+07"    65   127   65   174   parsed_2n4h   1   
        56   "spec=15NNOESY, no=43, id=42, vol=2.400000e+07"    66   127   66   174   parsed_2n4h   1   
        57   "spec=15NNOESY, no=44, id=43, vol=4.330000e+08"    67   127   67   174   parsed_2n4h   1   
        58   "spec=15NNOESY, no=45, id=44, vol=2.830000e+08"    68   127   68   174   parsed_2n4h   1   
        59   "spec=15NNOESY, no=46, id=45, vol=3.010000e+08"    69   127   69   174   parsed_2n4h   1   
        60   "spec=15NNOESY, no=47, id=46, vol=1.270000e+09"    70   127   70   174   parsed_2n4h   1   
        61   "spec=15NNOESY, no=49, id=48, vol=1.350000e+08"    71   127   71   174   parsed_2n4h   1   
        62   "spec=15NNOESY, no=51, id=50, vol=4.580000e+08"    73   127   73   174   parsed_2n4h   1   
        63   "spec=15NNOESY, no=50, id=49, vol=2.740000e+09"    72   127   72   174   parsed_2n4h   1   
        64   "spec=15NNOESY, no=52, id=51, vol=6.990000e+08"    76   127   76   174   parsed_2n4h   1   
        65   "spec=15NNOESY, no=53, id=52, vol=6.680000e+08"    77   127   77   174   parsed_2n4h   1   
        66   "spec=15NNOESY, no=55, id=54, vol=2.160000e+08"    78   127   78   174   parsed_2n4h   1   
        67   "spec=15NNOESY, no=56, id=55, vol=1.330000e+08"    79   127   79   174   parsed_2n4h   1   
        68   "spec=15NNOESY, no=57, id=56, vol=9.000000e+08"    80   127   80   174   parsed_2n4h   1   
        69   "spec=15NNOESY, no=58, id=57, vol=9.730000e+08"    81   127   81   174   parsed_2n4h   1   
        70   "spec=15NNOESY, no=59, id=58, vol=2.570000e+08"    82   127   82   174   parsed_2n4h   1   
        71   "spec=15NNOESY, no=60, id=59, vol=1.040000e+09"    83   127   83   174   parsed_2n4h   1   
    stop_

save_





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