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
582833 2mj1 19701 cing 2-parsed STAR entry full 47


data_2mj1_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2mj1 
    _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_2mj1   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2mj1 
    _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   2mj1   "Master copy"    parsed_2mj1   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2mj1 
    _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   2mj1.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"     0   parsed_2mj1   1   
        1   2mj1.mr   .   .    XPLOR/CNS     2    distance                  NOE                 simple             24   parsed_2mj1   1   
        1   2mj1.mr   .   .    XPLOR/CNS     3   "dihedral angle"          "Not applicable"    "Not applicable"     5   parsed_2mj1   1   
        1   2mj1.mr   .   .    XPLOR/CNS     4    distance                 "hydrogen bond"      simple             18   parsed_2mj1   1   
        1   2mj1.mr   .   .   "MR format"    5   "nomenclature mapping"    "Not applicable"    "Not applicable"     0   parsed_2mj1   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_2mj1 
    _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    HYDROLASE INHIBITOR                     23-DEC-13   2MJ1              
*TITLE     NMR STRUCTURE OF THE SOLUBLE A 17-34 PEPTIDE                          
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: AMYLOID BETA A4 PROTEIN;                                   
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 688-705;                                      
*COMPND   5 SYNONYM: ABPP, APPI, APP, ALZHEIMER DISEASE AMYLOID PROTEIN, CEREBRAL
*COMPND   6 VASCULAR AMYLOID PEPTIDE, CVAP, PREA4, PROTEASE NEXIN-II, PN-II, C83;
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   4 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   5 ORGANISM_TAXID: 9606;                                                
*SOURCE   6 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED.               
*KEYWDS    AMYLOID, ALZHEIMER, HYDROLASE INHIBITOR                               
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    11                                                                    
*AUTHOR    G.FONAR, A.O.SAMSON                                                   
*REVDAT   1   05-NOV-14 2MJ1    0                                                


;

save_


save_CNS/XPLOR_distance_constraints_2
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_2mj1 
    _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_2mj1   1   
         2   1   .   .   .   parsed_2mj1   1   
         3   1   .   .   .   parsed_2mj1   1   
         4   1   .   .   .   parsed_2mj1   1   
         5   1   .   .   .   parsed_2mj1   1   
         6   1   .   .   .   parsed_2mj1   1   
         7   1   .   .   .   parsed_2mj1   1   
         8   1   .   .   .   parsed_2mj1   1   
         9   1   .   .   .   parsed_2mj1   1   
        10   1   .   .   .   parsed_2mj1   1   
        11   1   .   .   .   parsed_2mj1   1   
        12   1   .   .   .   parsed_2mj1   1   
        13   1   .   .   .   parsed_2mj1   1   
        14   1   .   .   .   parsed_2mj1   1   
        15   1   .   .   .   parsed_2mj1   1   
        16   1   .   .   .   parsed_2mj1   1   
        17   1   .   .   .   parsed_2mj1   1   
        18   1   .   .   .   parsed_2mj1   1   
        19   1   .   .   .   parsed_2mj1   1   
        20   1   .   .   .   parsed_2mj1   1   
        21   1   .   .   .   parsed_2mj1   1   
        22   1   .   .   .   parsed_2mj1   1   
        23   1   .   .   .   parsed_2mj1   1   
        24   1   .   .   .   parsed_2mj1   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   .   .   .   .   .   .   .   .   .   20   .   HN   parsed_2mj1   1   
         1   1   2   .   .   .   .   .   .   .   .   .   16   .   HA   parsed_2mj1   1   
         2   1   1   .   .   .   .   .   .   .   .   .   19   .   NN   parsed_2mj1   1   
         2   1   2   .   .   .   .   .   .   .   .   .   15   .   HA   parsed_2mj1   1   
         3   1   1   .   .   .   .   .   .   .   .   .   18   .   HN   parsed_2mj1   1   
         3   1   2   .   .   .   .   .   .   .   .   .   14   .   HA   parsed_2mj1   1   
         4   1   1   .   .   .   .   .   .   .   .   .   16   .   HN   parsed_2mj1   1   
         4   1   2   .   .   .   .   .   .   .   .   .   12   .   HA   parsed_2mj1   1   
         5   1   1   .   .   .   .   .   .   .   .   .   15   .   HN   parsed_2mj1   1   
         5   1   2   .   .   .   .   .   .   .   .   .   11   .   HA   parsed_2mj1   1   
         6   1   1   .   .   .   .   .   .   .   .   .   14   .   HN   parsed_2mj1   1   
         6   1   2   .   .   .   .   .   .   .   .   .   10   .   HA   parsed_2mj1   1   
         7   1   1   .   .   .   .   .   .   .   .   .   11   .   HN   parsed_2mj1   1   
         7   1   2   .   .   .   .   .   .   .   .   .    7   .   HA   parsed_2mj1   1   
         8   1   1   .   .   .   .   .   .   .   .   .    8   .   HN   parsed_2mj1   1   
         8   1   2   .   .   .   .   .   .   .   .   .    4   .   HA   parsed_2mj1   1   
         9   1   1   .   .   .   .   .   .   .   .   .    7   .   HN   parsed_2mj1   1   
         9   1   2   .   .   .   .   .   .   .   .   .    3   .   HA   parsed_2mj1   1   
        10   1   1   .   .   .   .   .   .   .   .   .   18   .   HN   parsed_2mj1   1   
        10   1   2   .   .   .   .   .   .   .   .   .   17   .   HA   parsed_2mj1   1   
        11   1   1   .   .   .   .   .   .   .   .   .   17   .   HN   parsed_2mj1   1   
        11   1   2   .   .   .   .   .   .   .   .   .   16   .   HA   parsed_2mj1   1   
        12   1   1   .   .   .   .   .   .   .   .   .   16   .   HN   parsed_2mj1   1   
        12   1   2   .   .   .   .   .   .   .   .   .   15   .   HA   parsed_2mj1   1   
        13   1   1   .   .   .   .   .   .   .   .   .   15   .   HN   parsed_2mj1   1   
        13   1   2   .   .   .   .   .   .   .   .   .   14   .   HA   parsed_2mj1   1   
        14   1   1   .   .   .   .   .   .   .   .   .   14   .   HN   parsed_2mj1   1   
        14   1   2   .   .   .   .   .   .   .   .   .   13   .   HA   parsed_2mj1   1   
        15   1   1   .   .   .   .   .   .   .   .   .   13   .   HN   parsed_2mj1   1   
        15   1   2   .   .   .   .   .   .   .   .   .   12   .   HA   parsed_2mj1   1   
        16   1   1   .   .   .   .   .   .   .   .   .   12   .   HN   parsed_2mj1   1   
        16   1   2   .   .   .   .   .   .   .   .   .   11   .   HA   parsed_2mj1   1   
        17   1   1   .   .   .   .   .   .   .   .   .   10   .   NN   parsed_2mj1   1   
        17   1   2   .   .   .   .   .   .   .   .   .    9   .   HA   parsed_2mj1   1   
        18   1   1   .   .   .   .   .   .   .   .   .    9   .   HN   parsed_2mj1   1   
        18   1   2   .   .   .   .   .   .   .   .   .    8   .   HA   parsed_2mj1   1   
        19   1   1   .   .   .   .   .   .   .   .   .    8   .   HN   parsed_2mj1   1   
        19   1   2   .   .   .   .   .   .   .   .   .    7   .   HA   parsed_2mj1   1   
        20   1   1   .   .   .   .   .   .   .   .   .    7   .   HN   parsed_2mj1   1   
        20   1   2   .   .   .   .   .   .   .   .   .    6   .   HA   parsed_2mj1   1   
        21   1   1   .   .   .   .   .   .   .   .   .    6   .   HN   parsed_2mj1   1   
        21   1   2   .   .   .   .   .   .   .   .   .    5   .   HA   parsed_2mj1   1   
        22   1   1   .   .   .   .   .   .   .   .   .    5   .   HN   parsed_2mj1   1   
        22   1   2   .   .   .   .   .   .   .   .   .    4   .   HA   parsed_2mj1   1   
        23   1   1   .   .   .   .   .   .   .   .   .    4   .   HN   parsed_2mj1   1   
        23   1   2   .   .   .   .   .   .   .   .   .    3   .   HA   parsed_2mj1   1   
        24   1   1   .   .   .   .   .   .   .   .   .    3   .   HN   parsed_2mj1   1   
        24   1   2   .   .   .   .   .   .   .   .   .    2   .   HA   parsed_2mj1   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   .   .   .   .   .   4     3.6   4.4   parsed_2mj1   1   
         2   1   .   .   .   .   .   4     3.6   4.4   parsed_2mj1   1   
         3   1   .   .   .   .   .   4     3.6   4.4   parsed_2mj1   1   
         4   1   .   .   .   .   .   4     3.6   4.4   parsed_2mj1   1   
         5   1   .   .   .   .   .   4     3.6   4.4   parsed_2mj1   1   
         6   1   .   .   .   .   .   4     3.6   4.4   parsed_2mj1   1   
         7   1   .   .   .   .   .   4     3.6   4.4   parsed_2mj1   1   
         8   1   .   .   .   .   .   4     3.6   4.4   parsed_2mj1   1   
         9   1   .   .   .   .   .   4     3.6   4.4   parsed_2mj1   1   
        10   1   .   .   .   .   .   3.5   3.1   4.0   parsed_2mj1   1   
        11   1   .   .   .   .   .   3.5   3.1   4.0   parsed_2mj1   1   
        12   1   .   .   .   .   .   3.5   3.1   4.0   parsed_2mj1   1   
        13   1   .   .   .   .   .   3.5   3.1   4.0   parsed_2mj1   1   
        14   1   .   .   .   .   .   3.5   2.5   4.0   parsed_2mj1   1   
        15   1   .   .   .   .   .   3.5   3.1   4.0   parsed_2mj1   1   
        16   1   .   .   .   .   .   3.5   2.0   4.0   parsed_2mj1   1   
        17   1   .   .   .   .   .   3.5   3.1   4.0   parsed_2mj1   1   
        18   1   .   .   .   .   .   3.5   3.1   4.0   parsed_2mj1   1   
        19   1   .   .   .   .   .   3.5   3.1   4.0   parsed_2mj1   1   
        20   1   .   .   .   .   .   3.5   3.1   4.0   parsed_2mj1   1   
        21   1   .   .   .   .   .   3.5   3.1   4.0   parsed_2mj1   1   
        22   1   .   .   .   .   .   3.5   3.1   4.0   parsed_2mj1   1   
        23   1   .   .   .   .   .   3.5   3.1   4.0   parsed_2mj1   1   
        24   1   .   .   .   .   .   3.5   3.1   4.0   parsed_2mj1   1   
    stop_

save_


save_CNS/XPLOR_dihedral_3
    _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints 
    _Torsion_angle_constraint_list.Entry_ID            parsed_2mj1 
    _Torsion_angle_constraint_list.ID                  1 
    _Torsion_angle_constraint_list.Constraint_file_ID  1 
    _Torsion_angle_constraint_list.Block_ID            3 
    _Torsion_angle_constraint_list.Details            "Generated by Wattos" 

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

        1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -70.00   -50.00   .   .    3   .   C   .    4   .   N   .    4   .   CA   .    4   .   C   parsed_2mj1   1   
        2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -70.00   -50.00   .   .    4   .   C   .    5   .   N   .    5   .   CA   .    5   .   C   parsed_2mj1   1   
        3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -70.00   -50.00   .   .    6   .   C   .    7   .   N   .    7   .   CA   .    7   .   C   parsed_2mj1   1   
        4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -70.00   -50.00   .   .    8   .   C   .    9   .   N   .    9   .   CA   .    9   .   C   parsed_2mj1   1   
        5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -70.00   -50.00   .   .   16   .   C   .   17   .   N   .   17   .   CA   .   17   .   C   parsed_2mj1   1   
    stop_

save_


save_CNS/XPLOR_distance_constraints_4
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_2mj1 
    _Distance_constraint_list.ID                  2 
    _Distance_constraint_list.Constraint_type    "hydrogen bond" 
    _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_2mj1   2   
         2   1   .   .   .   parsed_2mj1   2   
         3   1   .   .   .   parsed_2mj1   2   
         4   1   .   .   .   parsed_2mj1   2   
         5   1   .   .   .   parsed_2mj1   2   
         6   1   .   .   .   parsed_2mj1   2   
         7   1   .   .   .   parsed_2mj1   2   
         8   1   .   .   .   parsed_2mj1   2   
         9   1   .   .   .   parsed_2mj1   2   
        10   1   .   .   .   parsed_2mj1   2   
        11   1   .   .   .   parsed_2mj1   2   
        12   1   .   .   .   parsed_2mj1   2   
        13   1   .   .   .   parsed_2mj1   2   
        14   1   .   .   .   parsed_2mj1   2   
        15   1   .   .   .   parsed_2mj1   2   
        16   1   .   .   .   parsed_2mj1   2   
        17   1   .   .   .   parsed_2mj1   2   
        18   1   .   .   .   parsed_2mj1   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   .   .   .   .   .   .   .   .   .   20   .   HN   parsed_2mj1   2   
         1   1   2   .   .   .   .   .   .   .   .   .   16   .   O    parsed_2mj1   2   
         2   1   1   .   .   .   .   .   .   .   .   .   19   .   NN   parsed_2mj1   2   
         2   1   2   .   .   .   .   .   .   .   .   .   15   .   O    parsed_2mj1   2   
         3   1   1   .   .   .   .   .   .   .   .   .   18   .   HN   parsed_2mj1   2   
         3   1   2   .   .   .   .   .   .   .   .   .   14   .   O    parsed_2mj1   2   
         4   1   1   .   .   .   .   .   .   .   .   .   16   .   HN   parsed_2mj1   2   
         4   1   2   .   .   .   .   .   .   .   .   .   12   .   O    parsed_2mj1   2   
         5   1   1   .   .   .   .   .   .   .   .   .   15   .   HN   parsed_2mj1   2   
         5   1   2   .   .   .   .   .   .   .   .   .   11   .   O    parsed_2mj1   2   
         6   1   1   .   .   .   .   .   .   .   .   .   14   .   HN   parsed_2mj1   2   
         6   1   2   .   .   .   .   .   .   .   .   .   10   .   O    parsed_2mj1   2   
         7   1   1   .   .   .   .   .   .   .   .   .   11   .   HN   parsed_2mj1   2   
         7   1   2   .   .   .   .   .   .   .   .   .    7   .   O    parsed_2mj1   2   
         8   1   1   .   .   .   .   .   .   .   .   .    8   .   HN   parsed_2mj1   2   
         8   1   2   .   .   .   .   .   .   .   .   .    4   .   O    parsed_2mj1   2   
         9   1   1   .   .   .   .   .   .   .   .   .    7   .   HN   parsed_2mj1   2   
         9   1   2   .   .   .   .   .   .   .   .   .    3   .   O    parsed_2mj1   2   
        10   1   1   .   .   .   .   .   .   .   .   .   20   .   N    parsed_2mj1   2   
        10   1   2   .   .   .   .   .   .   .   .   .   16   .   O    parsed_2mj1   2   
        11   1   1   .   .   .   .   .   .   .   .   .   19   .   N    parsed_2mj1   2   
        11   1   2   .   .   .   .   .   .   .   .   .   15   .   O    parsed_2mj1   2   
        12   1   1   .   .   .   .   .   .   .   .   .   18   .   N    parsed_2mj1   2   
        12   1   2   .   .   .   .   .   .   .   .   .   14   .   O    parsed_2mj1   2   
        13   1   1   .   .   .   .   .   .   .   .   .   16   .   N    parsed_2mj1   2   
        13   1   2   .   .   .   .   .   .   .   .   .   12   .   O    parsed_2mj1   2   
        14   1   1   .   .   .   .   .   .   .   .   .   15   .   N    parsed_2mj1   2   
        14   1   2   .   .   .   .   .   .   .   .   .   11   .   O    parsed_2mj1   2   
        15   1   1   .   .   .   .   .   .   .   .   .   14   .   N    parsed_2mj1   2   
        15   1   2   .   .   .   .   .   .   .   .   .   10   .   O    parsed_2mj1   2   
        16   1   1   .   .   .   .   .   .   .   .   .   11   .   N    parsed_2mj1   2   
        16   1   2   .   .   .   .   .   .   .   .   .    7   .   O    parsed_2mj1   2   
        17   1   1   .   .   .   .   .   .   .   .   .    8   .   N    parsed_2mj1   2   
        17   1   2   .   .   .   .   .   .   .   .   .    4   .   O    parsed_2mj1   2   
        18   1   1   .   .   .   .   .   .   .   .   .    7   .   N    parsed_2mj1   2   
        18   1   2   .   .   .   .   .   .   .   .   .    3   .   O    parsed_2mj1   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   .   .   .   .   .   1.2   0.7   1.7   parsed_2mj1   2   
         2   1   .   .   .   .   .   1.2   0.7   1.7   parsed_2mj1   2   
         3   1   .   .   .   .   .   1.2   0.7   1.7   parsed_2mj1   2   
         4   1   .   .   .   .   .   1.2   0.7   1.7   parsed_2mj1   2   
         5   1   .   .   .   .   .   1.2   0.7   1.7   parsed_2mj1   2   
         6   1   .   .   .   .   .   1.2   0.7   1.7   parsed_2mj1   2   
         7   1   .   .   .   .   .   1.2   0.7   1.7   parsed_2mj1   2   
         8   1   .   .   .   .   .   1.2   0.7   1.7   parsed_2mj1   2   
         9   1   .   .   .   .   .   1.2   0.7   1.7   parsed_2mj1   2   
        10   1   .   .   .   .   .   2.0   1.5   2.5   parsed_2mj1   2   
        11   1   .   .   .   .   .   2.0   1.5   2.5   parsed_2mj1   2   
        12   1   .   .   .   .   .   2.0   1.5   2.5   parsed_2mj1   2   
        13   1   .   .   .   .   .   2.0   1.5   2.5   parsed_2mj1   2   
        14   1   .   .   .   .   .   2.0   1.5   2.5   parsed_2mj1   2   
        15   1   .   .   .   .   .   2.0   1.5   2.5   parsed_2mj1   2   
        16   1   .   .   .   .   .   2.0   1.5   2.5   parsed_2mj1   2   
        17   1   .   .   .   .   .   2.0   1.5   2.5   parsed_2mj1   2   
        18   1   .   .   .   .   .   2.0   1.5   2.5   parsed_2mj1   2   
    stop_

save_





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