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
535912 2llq 18084 cing 2-parsed STAR entry full 167


data_2llq_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2llq 
    _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_2llq   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2llq 
    _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   2llq   "Master copy"    parsed_2llq   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2llq 
    _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   2llq.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"     0   parsed_2llq   1   
        1   2llq.mr   .   .    XPLOR/CNS     2    distance                  NOE                 simple             67   parsed_2llq   1   
        1   2llq.mr   .   .    XPLOR/CNS     3   "dihedral angle"          "Not applicable"    "Not applicable"    34   parsed_2llq   1   
        1   2llq.mr   .   .    XPLOR/CNS     4    distance                 "hydrogen bond"      simple             28   parsed_2llq   1   
        1   2llq.mr   .   .    XPLOR/CNS     5   "dipolar coupling"        "Not applicable"    "Not applicable"    38   parsed_2llq   1   
        1   2llq.mr   .   .   "MR format"    6   "nomenclature mapping"    "Not applicable"    "Not applicable"     0   parsed_2llq   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_2llq 
    _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    METAL BINDING PROTEIN/HORMONE RECEPTOR  15-NOV-11   2LLQ              
*TITLE     SOLUTION NMR-DERIVED STRUCTURE OF CALMODULIN C-LOBE BOUND WITH ER     
*TITLE    2 ALPHA PEPTIDE                                                        
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CALMODULIN;                                                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: EF-HAND DOMAINS 3 AND 4, RESIDUES 83-149;                  
*COMPND   5 SYNONYM: CAM;                                                        
*COMPND   6 ENGINEERED: YES;                                                     
*COMPND   7 MOL_ID: 2;                                                           
*COMPND   8 MOLECULE: ESTROGEN RECEPTOR;                                         
*COMPND   9 CHAIN: B;                                                            
*COMPND  10 FRAGMENT: UNP RESIDUES 287-305;                                      
*COMPND  11 SYNONYM: ER, ER-ALPHA, ESTRADIOL RECEPTOR, NUCLEAR RECEPTOR SUBFAMILY
*COMPND  12 3 GROUP A MEMBER 1;                                                  
*COMPND  13 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: XENOPUS LAEVIS;                                 
*SOURCE   3 ORGANISM_COMMON: CLAWED FROG,COMMON PLATANNA,PLATANNA;               
*SOURCE   4 ORGANISM_TAXID: 8355;                                                
*SOURCE   5 GENE: CALM1, CALM2;                                                  
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR: PET3A;                                     
*SOURCE   9 MOL_ID: 2;                                                           
*SOURCE  10 SYNTHETIC: YES;                                                      
*SOURCE  11 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE  12 ORGANISM_COMMON: HUMAN;                                              
*SOURCE  13 ORGANISM_TAXID: 9606                                                 
*KEYWDS    METAL BINDING PROTEIN-HORMONE RECEPTOR COMPLEX                        
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    Y.ZHANG                                                               
*REVDAT   3   21-MAR-12 2LLQ    1                                                
*REVDAT   2   29-FEB-12 2LLQ    1                                                
*REVDAT   1   01-FEB-12 2LLQ    0                                                

;

save_


save_CNS/XPLOR_distance_constraints_2
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_2llq 
    _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_2llq   1   
         2   1   .   .   .   parsed_2llq   1   
         3   1   .   .   .   parsed_2llq   1   
         4   1   .   .   .   parsed_2llq   1   
         5   1   .   .   .   parsed_2llq   1   
         6   1   .   .   .   parsed_2llq   1   
         7   1   .   .   .   parsed_2llq   1   
         8   1   .   .   .   parsed_2llq   1   
         9   1   .   .   .   parsed_2llq   1   
        10   1   .   .   .   parsed_2llq   1   
        11   1   .   .   .   parsed_2llq   1   
        12   1   .   .   .   parsed_2llq   1   
        13   1   .   .   .   parsed_2llq   1   
        14   1   .   .   .   parsed_2llq   1   
        15   1   .   .   .   parsed_2llq   1   
        16   1   .   .   .   parsed_2llq   1   
        17   1   .   .   .   parsed_2llq   1   
        18   1   .   .   .   parsed_2llq   1   
        19   1   .   .   .   parsed_2llq   1   
        20   1   .   .   .   parsed_2llq   1   
        21   1   .   .   .   parsed_2llq   1   
        22   1   .   .   .   parsed_2llq   1   
        23   1   .   .   .   parsed_2llq   1   
        24   1   .   .   .   parsed_2llq   1   
        25   1   .   .   .   parsed_2llq   1   
        26   1   .   .   .   parsed_2llq   1   
        27   1   .   .   .   parsed_2llq   1   
        28   1   .   .   .   parsed_2llq   1   
        29   1   .   .   .   parsed_2llq   1   
        30   1   .   .   .   parsed_2llq   1   
        31   1   .   .   .   parsed_2llq   1   
        32   1   .   .   .   parsed_2llq   1   
        33   1   .   .   .   parsed_2llq   1   
        34   1   .   .   .   parsed_2llq   1   
        35   1   .   .   .   parsed_2llq   1   
        36   1   .   .   .   parsed_2llq   1   
        37   1   .   .   .   parsed_2llq   1   
        38   1   .   .   .   parsed_2llq   1   
        39   1   .   .   .   parsed_2llq   1   
        40   1   .   .   .   parsed_2llq   1   
        41   1   .   .   .   parsed_2llq   1   
        42   1   .   .   .   parsed_2llq   1   
        43   1   .   .   .   parsed_2llq   1   
        44   1   .   .   .   parsed_2llq   1   
        45   1   .   .   .   parsed_2llq   1   
        46   1   .   .   .   parsed_2llq   1   
        47   1   .   .   .   parsed_2llq   1   
        48   1   .   .   .   parsed_2llq   1   
        49   1   .   .   .   parsed_2llq   1   
        50   1   .   .   .   parsed_2llq   1   
        51   1   .   .   .   parsed_2llq   1   
        52   1   .   .   .   parsed_2llq   1   
        53   1   .   .   .   parsed_2llq   1   
        54   1   .   .   .   parsed_2llq   1   
        55   1   .   .   .   parsed_2llq   1   
        56   1   .   .   .   parsed_2llq   1   
        57   1   .   .   .   parsed_2llq   1   
        58   1   .   .   .   parsed_2llq   1   
        59   1   .   .   .   parsed_2llq   1   
        60   1   .   .   .   parsed_2llq   1   
        61   1   .   .   .   parsed_2llq   1   
        62   1   .   .   .   parsed_2llq   1   
        63   1   .   .   .   parsed_2llq   1   
        64   1   .   .   .   parsed_2llq   1   
        65   1   .   .   .   parsed_2llq   1   
        66   1   .   .   .   parsed_2llq   1   
        67   1   .   .   .   parsed_2llq   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   .   .   .   .   .   .   .   .   A    84   .   HG#    parsed_2llq   1   
         1   1   2   .   .   .   .   .   .   .   .   B   299   .   HD#    parsed_2llq   1   
         2   1   1   .   .   .   .   .   .   .   .   A    84   .   HG#    parsed_2llq   1   
         2   1   2   .   .   .   .   .   .   .   .   B   299   .   HE#    parsed_2llq   1   
         3   1   1   .   .   .   .   .   .   .   .   A    84   .   HG#    parsed_2llq   1   
         3   1   2   .   .   .   .   .   .   .   .   B   299   .   HB#    parsed_2llq   1   
         4   1   1   .   .   .   .   .   .   .   .   A    85   .   HG2#   parsed_2llq   1   
         4   1   2   .   .   .   .   .   .   .   .   B   296   .   HD#    parsed_2llq   1   
         5   1   1   .   .   .   .   .   .   .   .   A    85   .   HD1#   parsed_2llq   1   
         5   1   2   .   .   .   .   .   .   .   .   B   296   .   HD#    parsed_2llq   1   
         6   1   1   .   .   .   .   .   .   .   .   A    84   .   HG#    parsed_2llq   1   
         6   1   2   .   .   .   .   .   .   .   .   B   299   .   HD#    parsed_2llq   1   
         7   1   1   .   .   .   .   .   .   .   .   A    84   .   HG#    parsed_2llq   1   
         7   1   2   .   .   .   .   .   .   .   .   B   299   .   HE#    parsed_2llq   1   
         8   1   1   .   .   .   .   .   .   .   .   A    88   .   HB#    parsed_2llq   1   
         8   1   2   .   .   .   .   .   .   .   .   B   296   .   HD#    parsed_2llq   1   
         9   1   1   .   .   .   .   .   .   .   .   A   100   .   HD1#   parsed_2llq   1   
         9   1   2   .   .   .   .   .   .   .   .   B   292   .   HH2    parsed_2llq   1   
        10   1   1   .   .   .   .   .   .   .   .   A   100   .   HD1#   parsed_2llq   1   
        10   1   2   .   .   .   .   .   .   .   .   B   292   .   HZ3    parsed_2llq   1   
        11   1   1   .   .   .   .   .   .   .   .   A   100   .   HG2#   parsed_2llq   1   
        11   1   2   .   .   .   .   .   .   .   .   B   292   .   HH2    parsed_2llq   1   
        12   1   1   .   .   .   .   .   .   .   .   A   100   .   HG2#   parsed_2llq   1   
        12   1   2   .   .   .   .   .   .   .   .   B   292   .   HZ3    parsed_2llq   1   
        13   1   1   .   .   .   .   .   .   .   .   A   105   .   HD1#   parsed_2llq   1   
        13   1   2   .   .   .   .   .   .   .   .   B   292   .   HH2    parsed_2llq   1   
        14   1   1   .   .   .   .   .   .   .   .   A   105   .   HD1#   parsed_2llq   1   
        14   1   2   .   .   .   .   .   .   .   .   B   292   .   HZ3    parsed_2llq   1   
        15   1   1   .   .   .   .   .   .   .   .   A   105   .   HD1#   parsed_2llq   1   
        15   1   2   .   .   .   .   .   .   .   .   B   292   .   HZ2    parsed_2llq   1   
        16   1   1   .   .   .   .   .   .   .   .   A   105   .   HD1#   parsed_2llq   1   
        16   1   2   .   .   .   .   .   .   .   .   B   292   .   HD1    parsed_2llq   1   
        17   1   1   .   .   .   .   .   .   .   .   A   105   .   HD1#   parsed_2llq   1   
        17   1   2   .   .   .   .   .   .   .   .   B   292   .   HE3    parsed_2llq   1   
        18   1   1   .   .   .   .   .   .   .   .   A   105   .   HD2#   parsed_2llq   1   
        18   1   2   .   .   .   .   .   .   .   .   B   292   .   HH2    parsed_2llq   1   
        19   1   1   .   .   .   .   .   .   .   .   A   105   .   HD2#   parsed_2llq   1   
        19   1   2   .   .   .   .   .   .   .   .   B   292   .   HZ2    parsed_2llq   1   
        20   1   1   .   .   .   .   .   .   .   .   A   108   .   HG#    parsed_2llq   1   
        20   1   2   .   .   .   .   .   .   .   .   B   292   .   HE3    parsed_2llq   1   
        21   1   1   .   .   .   .   .   .   .   .   A   108   .   HG#    parsed_2llq   1   
        21   1   2   .   .   .   .   .   .   .   .   B   295   .   HG#    parsed_2llq   1   
        22   1   1   .   .   .   .   .   .   .   .   A   109   .   HE#    parsed_2llq   1   
        22   1   2   .   .   .   .   .   .   .   .   B   292   .   HE3    parsed_2llq   1   
        23   1   1   .   .   .   .   .   .   .   .   A   112   .   HD#    parsed_2llq   1   
        23   1   2   .   .   .   .   .   .   .   .   B   293   .   HB#    parsed_2llq   1   
        24   1   1   .   .   .   .   .   .   .   .   A   112   .   HD#    parsed_2llq   1   
        24   1   2   .   .   .   .   .   .   .   .   B   291   .   HD#    parsed_2llq   1   
        25   1   1   .   .   .   .   .   .   .   .   A   112   .   HD#    parsed_2llq   1   
        25   1   2   .   .   .   .   .   .   .   .   B   291   .   HB#    parsed_2llq   1   
        26   1   1   .   .   .   .   .   .   .   .   A   112   .   HD#    parsed_2llq   1   
        26   1   2   .   .   .   .   .   .   .   .   B   291   .   HG#    parsed_2llq   1   
        27   1   1   .   .   .   .   .   .   .   .   A   123   .   HB#    parsed_2llq   1   
        27   1   2   .   .   .   .   .   .   .   .   B   287   .   HE#    parsed_2llq   1   
        28   1   1   .   .   .   .   .   .   .   .   A   124   .   HE#    parsed_2llq   1   
        28   1   2   .   .   .   .   .   .   .   .   B   292   .   HD1    parsed_2llq   1   
        29   1   1   .   .   .   .   .   .   .   .   A   124   .   HE#    parsed_2llq   1   
        29   1   2   .   .   .   .   .   .   .   .   B   292   .   HE3    parsed_2llq   1   
        30   1   1   .   .   .   .   .   .   .   .   A   125   .   HA     parsed_2llq   1   
        30   1   2   .   .   .   .   .   .   .   .   B   292   .   HZ2    parsed_2llq   1   
        31   1   1   .   .   .   .   .   .   .   .   A   125   .   HA     parsed_2llq   1   
        31   1   2   .   .   .   .   .   .   .   .   B   292   .   HH2    parsed_2llq   1   
        32   1   1   .   .   .   .   .   .   .   .   A   125   .   HD1#   parsed_2llq   1   
        32   1   2   .   .   .   .   .   .   .   .   B   292   .   HH2    parsed_2llq   1   
        33   1   1   .   .   .   .   .   .   .   .   A   125   .   HD1#   parsed_2llq   1   
        33   1   2   .   .   .   .   .   .   .   .   B   292   .   HZ2    parsed_2llq   1   
        34   1   1   .   .   .   .   .   .   .   .   A   125   .   HG1#   parsed_2llq   1   
        34   1   2   .   .   .   .   .   .   .   .   B   292   .   HZ2    parsed_2llq   1   
        35   1   1   .   .   .   .   .   .   .   .   A   125   .   HG1#   parsed_2llq   1   
        35   1   2   .   .   .   .   .   .   .   .   B   292   .   HH2    parsed_2llq   1   
        36   1   1   .   .   .   .   .   .   .   .   A   125   .   HG2#   parsed_2llq   1   
        36   1   2   .   .   .   .   .   .   .   .   B   292   .   HZ2    parsed_2llq   1   
        37   1   1   .   .   .   .   .   .   .   .   A   125   .   HG2#   parsed_2llq   1   
        37   1   2   .   .   .   .   .   .   .   .   B   292   .   HH2    parsed_2llq   1   
        38   1   1   .   .   .   .   .   .   .   .   A   127   .   HG#    parsed_2llq   1   
        38   1   2   .   .   .   .   .   .   .   .   B   292   .   HD1    parsed_2llq   1   
        39   1   1   .   .   .   .   .   .   .   .   A   128   .   HB#    parsed_2llq   1   
        39   1   2   .   .   .   .   .   .   .   .   B   292   .   HZ2    parsed_2llq   1   
        40   1   1   .   .   .   .   .   .   .   .   A   128   .   HB#    parsed_2llq   1   
        40   1   2   .   .   .   .   .   .   .   .   B   292   .   HH2    parsed_2llq   1   
        41   1   1   .   .   .   .   .   .   .   .   A   136   .   HG2#   parsed_2llq   1   
        41   1   2   .   .   .   .   .   .   .   .   B   292   .   HZ2    parsed_2llq   1   
        42   1   1   .   .   .   .   .   .   .   .   A   136   .   HG2#   parsed_2llq   1   
        42   1   2   .   .   .   .   .   .   .   .   B   292   .   HH2    parsed_2llq   1   
        43   1   1   .   .   .   .   .   .   .   .   A   136   .   HG2#   parsed_2llq   1   
        43   1   2   .   .   .   .   .   .   .   .   B   292   .   HZ3    parsed_2llq   1   
        44   1   1   .   .   .   .   .   .   .   .   A   136   .   HG1#   parsed_2llq   1   
        44   1   2   .   .   .   .   .   .   .   .   B   292   .   HZ2    parsed_2llq   1   
        45   1   1   .   .   .   .   .   .   .   .   A   136   .   HG1#   parsed_2llq   1   
        45   1   2   .   .   .   .   .   .   .   .   B   292   .   HH2    parsed_2llq   1   
        46   1   1   .   .   .   .   .   .   .   .   A   136   .   HG1#   parsed_2llq   1   
        46   1   2   .   .   .   .   .   .   .   .   B   292   .   HZ3    parsed_2llq   1   
        47   1   1   .   .   .   .   .   .   .   .   A   144   .   HE#    parsed_2llq   1   
        47   1   2   .   .   .   .   .   .   .   .   B   292   .   HD1    parsed_2llq   1   
        48   1   1   .   .   .   .   .   .   .   .   A   144   .   HE#    parsed_2llq   1   
        48   1   2   .   .   .   .   .   .   .   .   B   292   .   HZ2    parsed_2llq   1   
        49   1   1   .   .   .   .   .   .   .   .   A   145   .   HE#    parsed_2llq   1   
        49   1   2   .   .   .   .   .   .   .   .   B   292   .   HE3    parsed_2llq   1   
        50   1   1   .   .   .   .   .   .   .   .   A   145   .   HE#    parsed_2llq   1   
        50   1   2   .   .   .   .   .   .   .   .   B   292   .   HD1    parsed_2llq   1   
        51   1   1   .   .   .   .   .   .   .   .   A   145   .   HE#    parsed_2llq   1   
        51   1   2   .   .   .   .   .   .   .   .   B   292   .   HB#    parsed_2llq   1   
        52   1   1   .   .   .   .   .   .   .   .   A   145   .   HE#    parsed_2llq   1   
        52   1   2   .   .   .   .   .   .   .   .   B   296   .   HD#    parsed_2llq   1   
        53   1   1   .   .   .   .   .   .   .   .   B   288   .   HA     parsed_2llq   1   
        53   1   2   .   .   .   .   .   .   .   .   B   291   .   HB#    parsed_2llq   1   
        54   1   1   .   .   .   .   .   .   .   .   B   289   .   HA     parsed_2llq   1   
        54   1   2   .   .   .   .   .   .   .   .   B   292   .   HB#    parsed_2llq   1   
        55   1   1   .   .   .   .   .   .   .   .   B   290   .   HA     parsed_2llq   1   
        55   1   2   .   .   .   .   .   .   .   .   B   293   .   HB#    parsed_2llq   1   
        56   1   1   .   .   .   .   .   .   .   .   B   291   .   HA     parsed_2llq   1   
        56   1   2   .   .   .   .   .   .   .   .   B   294   .   HB#    parsed_2llq   1   
        57   1   1   .   .   .   .   .   .   .   .   B   292   .   HA     parsed_2llq   1   
        57   1   2   .   .   .   .   .   .   .   .   B   295   .   HB#    parsed_2llq   1   
        58   1   1   .   .   .   .   .   .   .   .   B   293   .   HA     parsed_2llq   1   
        58   1   2   .   .   .   .   .   .   .   .   B   296   .   HB#    parsed_2llq   1   
        59   1   1   .   .   .   .   .   .   .   .   B   294   .   HA     parsed_2llq   1   
        59   1   2   .   .   .   .   .   .   .   .   B   297   .   HB#    parsed_2llq   1   
        60   1   1   .   .   .   .   .   .   .   .   B   295   .   HA     parsed_2llq   1   
        60   1   2   .   .   .   .   .   .   .   .   B   298   .   HB     parsed_2llq   1   
        61   1   1   .   .   .   .   .   .   .   .   B   296   .   HA     parsed_2llq   1   
        61   1   2   .   .   .   .   .   .   .   .   B   299   .   HB#    parsed_2llq   1   
        62   1   1   .   .   .   .   .   .   .   .   B   297   .   HA     parsed_2llq   1   
        62   1   2   .   .   .   .   .   .   .   .   B   300   .   HB#    parsed_2llq   1   
        63   1   1   .   .   .   .   .   .   .   .   B   298   .   HA     parsed_2llq   1   
        63   1   2   .   .   .   .   .   .   .   .   B   301   .   HB#    parsed_2llq   1   
        64   1   1   .   .   .   .   .   .   .   .   B   299   .   HA     parsed_2llq   1   
        64   1   2   .   .   .   .   .   .   .   .   B   302   .   HB#    parsed_2llq   1   
        65   1   1   .   .   .   .   .   .   .   .   B   300   .   HA     parsed_2llq   1   
        65   1   2   .   .   .   .   .   .   .   .   B   303   .   HB#    parsed_2llq   1   
        66   1   1   .   .   .   .   .   .   .   .   B   301   .   HA     parsed_2llq   1   
        66   1   2   .   .   .   .   .   .   .   .   B   304   .   HB#    parsed_2llq   1   
        67   1   1   .   .   .   .   .   .   .   .   B   302   .   HA     parsed_2llq   1   
        67   1   2   .   .   .   .   .   .   .   .   B   305   .   HB#    parsed_2llq   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   .   .   .   .   .   2.0   0.0   2.0   parsed_2llq   1   
         2   1   .   .   .   .   .   2.0   0.0   2.0   parsed_2llq   1   
         3   1   .   .   .   .   .   2.0   0.0   2.0   parsed_2llq   1   
         4   1   .   .   .   .   .   2.0   0.0   2.0   parsed_2llq   1   
         5   1   .   .   .   .   .   2.0   0.0   2.0   parsed_2llq   1   
         6   1   .   .   .   .   .   2.0   0.0   2.0   parsed_2llq   1   
         7   1   .   .   .   .   .   2.0   0.0   2.0   parsed_2llq   1   
         8   1   .   .   .   .   .   2.0   0.0   2.0   parsed_2llq   1   
         9   1   .   .   .   .   .   3.5   1.5   3.5   parsed_2llq   1   
        10   1   .   .   .   .   .   2.0   0.0   2.0   parsed_2llq   1   
        11   1   .   .   .   .   .   2.9   0.9   2.9   parsed_2llq   1   
        12   1   .   .   .   .   .   2.0   0.0   2.0   parsed_2llq   1   
        13   1   .   .   .   .   .   2.0   0.0   2.0   parsed_2llq   1   
        14   1   .   .   .   .   .   2.0   0.0   2.0   parsed_2llq   1   
        15   1   .   .   .   .   .   2.0   0.0   2.0   parsed_2llq   1   
        16   1   .   .   .   .   .   4.5   2.5   4.5   parsed_2llq   1   
        17   1   .   .   .   .   .   2.9   0.9   2.9   parsed_2llq   1   
        18   1   .   .   .   .   .   2.0   0.0   2.0   parsed_2llq   1   
        19   1   .   .   .   .   .   2.0   0.0   2.0   parsed_2llq   1   
        20   1   .   .   .   .   .   4.5   2.5   4.5   parsed_2llq   1   
        21   1   .   .   .   .   .   2.0   0.0   2.0   parsed_2llq   1   
        22   1   .   .   .   .   .   2.0   0.0   2.0   parsed_2llq   1   
        23   1   .   .   .   .   .   2.0   0.0   2.0   parsed_2llq   1   
        24   1   .   .   .   .   .   2.0   0.0   2.0   parsed_2llq   1   
        25   1   .   .   .   .   .   3.5   1.5   3.5   parsed_2llq   1   
        26   1   .   .   .   .   .   2.0   0.0   2.0   parsed_2llq   1   
        27   1   .   .   .   .   .   2.0   0.0   2.0   parsed_2llq   1   
        28   1   .   .   .   .   .   2.0   0.0   2.0   parsed_2llq   1   
        29   1   .   .   .   .   .   4.0   2.0   4.0   parsed_2llq   1   
        30   1   .   .   .   .   .   2.0   0.0   2.0   parsed_2llq   1   
        31   1   .   .   .   .   .   4.0   2.0   4.0   parsed_2llq   1   
        32   1   .   .   .   .   .   2.0   0.0   2.0   parsed_2llq   1   
        33   1   .   .   .   .   .   3.5   1.5   3.5   parsed_2llq   1   
        34   1   .   .   .   .   .   2.0   0.0   2.0   parsed_2llq   1   
        35   1   .   .   .   .   .   3.5   1.5   3.5   parsed_2llq   1   
        36   1   .   .   .   .   .   4.0   2.0   4.0   parsed_2llq   1   
        37   1   .   .   .   .   .   4.5   2.5   4.5   parsed_2llq   1   
        38   1   .   .   .   .   .   4.5   2.5   4.5   parsed_2llq   1   
        39   1   .   .   .   .   .   2.0   0.0   2.0   parsed_2llq   1   
        40   1   .   .   .   .   .   3.5   1.5   3.5   parsed_2llq   1   
        41   1   .   .   .   .   .   2.9   0.9   2.9   parsed_2llq   1   
        42   1   .   .   .   .   .   2.0   0.0   2.0   parsed_2llq   1   
        43   1   .   .   .   .   .   2.0   0.0   2.0   parsed_2llq   1   
        44   1   .   .   .   .   .   2.0   0.0   2.0   parsed_2llq   1   
        45   1   .   .   .   .   .   2.0   0.0   2.0   parsed_2llq   1   
        46   1   .   .   .   .   .   2.0   0.0   2.0   parsed_2llq   1   
        47   1   .   .   .   .   .   2.0   0.0   2.0   parsed_2llq   1   
        48   1   .   .   .   .   .   4.5   2.5   4.5   parsed_2llq   1   
        49   1   .   .   .   .   .   2.0   0.0   2.0   parsed_2llq   1   
        50   1   .   .   .   .   .   4.5   2.5   4.5   parsed_2llq   1   
        51   1   .   .   .   .   .   2.0   0.0   2.0   parsed_2llq   1   
        52   1   .   .   .   .   .   2.0   0.0   2.0   parsed_2llq   1   
        53   1   .   .   .   .   .   0.0   0.0   2.5   parsed_2llq   1   
        54   1   .   .   .   .   .   0.0   0.0   3.5   parsed_2llq   1   
        55   1   .   .   .   .   .   0.0   0.0   3.5   parsed_2llq   1   
        56   1   .   .   .   .   .   0.0   0.0   2.5   parsed_2llq   1   
        57   1   .   .   .   .   .   0.0   0.0   4.5   parsed_2llq   1   
        58   1   .   .   .   .   .   0.0   0.0   2.5   parsed_2llq   1   
        59   1   .   .   .   .   .   0.0   0.0   2.5   parsed_2llq   1   
        60   1   .   .   .   .   .   0.0   0.0   2.5   parsed_2llq   1   
        61   1   .   .   .   .   .   0.0   0.0   2.5   parsed_2llq   1   
        62   1   .   .   .   .   .   0.0   0.0   2.5   parsed_2llq   1   
        63   1   .   .   .   .   .   0.0   0.0   2.5   parsed_2llq   1   
        64   1   .   .   .   .   .   0.0   0.0   2.5   parsed_2llq   1   
        65   1   .   .   .   .   .   0.0   0.0   2.5   parsed_2llq   1   
        66   1   .   .   .   .   .   0.0   0.0   2.5   parsed_2llq   1   
        67   1   .   .   .   .   .   0.0   0.0   3.5   parsed_2llq   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   
;
!!!segid A: my protein CamC
!!!segid B: my peptide ER287-305
!!interNOEs
;
    1   1    3   13   parsed_2llq   1   
        2   "!!IntraNOEs (For ERpeptide):"    59   1   59   30   parsed_2llq   1   
    stop_

save_


save_CNS/XPLOR_dihedral_3
    _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints 
    _Torsion_angle_constraint_list.Entry_ID            parsed_2llq 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -90.00   -30.00   .   B   288   .   C   B   289   .   N    B   289   .   CA   B   289   .   C   parsed_2llq   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -90.00   -30.00   .   B   289   .   C   B   290   .   N    B   290   .   CA   B   290   .   C   parsed_2llq   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -90.00   -30.00   .   B   290   .   C   B   291   .   N    B   291   .   CA   B   291   .   C   parsed_2llq   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -90.00   -30.00   .   B   291   .   C   B   292   .   N    B   292   .   CA   B   292   .   C   parsed_2llq   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -90.00   -30.00   .   B   292   .   C   B   293   .   N    B   293   .   CA   B   293   .   C   parsed_2llq   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -90.00   -30.00   .   B   293   .   C   B   294   .   N    B   294   .   CA   B   294   .   C   parsed_2llq   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -90.00   -30.00   .   B   294   .   C   B   295   .   N    B   295   .   CA   B   295   .   C   parsed_2llq   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -90.00   -30.00   .   B   295   .   C   B   296   .   N    B   296   .   CA   B   296   .   C   parsed_2llq   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -90.00   -30.00   .   B   296   .   C   B   297   .   N    B   297   .   CA   B   297   .   C   parsed_2llq   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -90.00   -30.00   .   B   297   .   C   B   298   .   N    B   298   .   CA   B   298   .   C   parsed_2llq   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -90.00   -30.00   .   B   298   .   C   B   299   .   N    B   299   .   CA   B   299   .   C   parsed_2llq   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -90.00   -30.00   .   B   299   .   C   B   300   .   N    B   300   .   CA   B   300   .   C   parsed_2llq   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -90.00   -30.00   .   B   300   .   C   B   301   .   N    B   301   .   CA   B   301   .   C   parsed_2llq   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -90.00   -30.00   .   B   301   .   C   B   302   .   N    B   302   .   CA   B   302   .   C   parsed_2llq   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -90.00   -30.00   .   B   302   .   C   B   303   .   N    B   303   .   CA   B   303   .   C   parsed_2llq   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -90.00   -30.00   .   B   303   .   C   B   304   .   N    B   304   .   CA   B   304   .   C   parsed_2llq   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -90.00   -30.00   .   B   304   .   C   B   305   .   N    B   305   .   CA   B   305   .   C   parsed_2llq   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -70.00   -10.00   .   B   288   .   N   B   288   .   CA   B   288   .   C    B   289   .   N   parsed_2llq   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -70.00   -10.00   .   B   289   .   N   B   289   .   CA   B   289   .   C    B   290   .   N   parsed_2llq   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -70.00   -10.00   .   B   290   .   N   B   290   .   CA   B   290   .   C    B   291   .   N   parsed_2llq   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -70.00   -10.00   .   B   291   .   N   B   291   .   CA   B   291   .   C    B   292   .   N   parsed_2llq   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -70.00   -10.00   .   B   292   .   N   B   292   .   CA   B   292   .   C    B   293   .   N   parsed_2llq   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -70.00   -10.00   .   B   293   .   N   B   293   .   CA   B   293   .   C    B   294   .   N   parsed_2llq   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -70.00   -10.00   .   B   294   .   N   B   294   .   CA   B   294   .   C    B   295   .   N   parsed_2llq   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -70.00   -10.00   .   B   295   .   N   B   295   .   CA   B   295   .   C    B   296   .   N   parsed_2llq   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -70.00   -10.00   .   B   296   .   N   B   296   .   CA   B   296   .   C    B   297   .   N   parsed_2llq   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -70.00   -10.00   .   B   297   .   N   B   297   .   CA   B   297   .   C    B   298   .   N   parsed_2llq   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -70.00   -10.00   .   B   298   .   N   B   298   .   CA   B   298   .   C    B   299   .   N   parsed_2llq   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -70.00   -10.00   .   B   299   .   N   B   299   .   CA   B   299   .   C    B   300   .   N   parsed_2llq   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -70.00   -10.00   .   B   300   .   N   B   300   .   CA   B   300   .   C    B   301   .   N   parsed_2llq   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -70.00   -10.00   .   B   301   .   N   B   301   .   CA   B   301   .   C    B   302   .   N   parsed_2llq   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -70.00   -10.00   .   B   302   .   N   B   302   .   CA   B   302   .   C    B   303   .   N   parsed_2llq   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -70.00   -10.00   .   B   303   .   N   B   303   .   CA   B   303   .   C    B   304   .   N   parsed_2llq   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -70.00   -10.00   .   B   304   .   N   B   304   .   CA   B   304   .   C    B   305   .   N   parsed_2llq   1   
    stop_


    loop_
        _TA_constraint_comment_org.ID 
        _TA_constraint_comment_org.Comment_text 
        _TA_constraint_comment_org.Comment_begin_line 
        _TA_constraint_comment_org.Comment_begin_column 
        _TA_constraint_comment_org.Comment_end_line 
        _TA_constraint_comment_org.Comment_end_column 
        _TA_constraint_comment_org.Entry_ID 
        _TA_constraint_comment_org.Torsion_angle_constraint_list_ID 

        1   !!phi_dihed.tbl    1   1    1   17   parsed_2llq   1   
        2   !!psi_dihed.tbl   56   1   56   17   parsed_2llq   1   
    stop_

save_


save_CNS/XPLOR_distance_constraints_4
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_2llq 
    _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_2llq   2   
         2   1   .   .   .   parsed_2llq   2   
         3   1   .   .   .   parsed_2llq   2   
         4   1   .   .   .   parsed_2llq   2   
         5   1   .   .   .   parsed_2llq   2   
         6   1   .   .   .   parsed_2llq   2   
         7   1   .   .   .   parsed_2llq   2   
         8   1   .   .   .   parsed_2llq   2   
         9   1   .   .   .   parsed_2llq   2   
        10   1   .   .   .   parsed_2llq   2   
        11   1   .   .   .   parsed_2llq   2   
        12   1   .   .   .   parsed_2llq   2   
        13   1   .   .   .   parsed_2llq   2   
        14   1   .   .   .   parsed_2llq   2   
        15   1   .   .   .   parsed_2llq   2   
        16   1   .   .   .   parsed_2llq   2   
        17   1   .   .   .   parsed_2llq   2   
        18   1   .   .   .   parsed_2llq   2   
        19   1   .   .   .   parsed_2llq   2   
        20   1   .   .   .   parsed_2llq   2   
        21   1   .   .   .   parsed_2llq   2   
        22   1   .   .   .   parsed_2llq   2   
        23   1   .   .   .   parsed_2llq   2   
        24   1   .   .   .   parsed_2llq   2   
        25   1   .   .   .   parsed_2llq   2   
        26   1   .   .   .   parsed_2llq   2   
        27   1   .   .   .   parsed_2llq   2   
        28   1   .   .   .   parsed_2llq   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   .   .   .   .   .   .   .   .   B   288   .   O    parsed_2llq   2   
         1   1   2   .   .   .   .   .   .   .   .   B   292   .   N    parsed_2llq   2   
         2   1   1   .   .   .   .   .   .   .   .   B   288   .   O    parsed_2llq   2   
         2   1   2   .   .   .   .   .   .   .   .   B   292   .   HN   parsed_2llq   2   
         3   1   1   .   .   .   .   .   .   .   .   B   289   .   O    parsed_2llq   2   
         3   1   2   .   .   .   .   .   .   .   .   B   293   .   N    parsed_2llq   2   
         4   1   1   .   .   .   .   .   .   .   .   B   289   .   O    parsed_2llq   2   
         4   1   2   .   .   .   .   .   .   .   .   B   293   .   HN   parsed_2llq   2   
         5   1   1   .   .   .   .   .   .   .   .   B   290   .   O    parsed_2llq   2   
         5   1   2   .   .   .   .   .   .   .   .   B   294   .   N    parsed_2llq   2   
         6   1   1   .   .   .   .   .   .   .   .   B   290   .   O    parsed_2llq   2   
         6   1   2   .   .   .   .   .   .   .   .   B   294   .   HN   parsed_2llq   2   
         7   1   1   .   .   .   .   .   .   .   .   B   291   .   O    parsed_2llq   2   
         7   1   2   .   .   .   .   .   .   .   .   B   295   .   N    parsed_2llq   2   
         8   1   1   .   .   .   .   .   .   .   .   B   291   .   O    parsed_2llq   2   
         8   1   2   .   .   .   .   .   .   .   .   B   295   .   HN   parsed_2llq   2   
         9   1   1   .   .   .   .   .   .   .   .   B   292   .   O    parsed_2llq   2   
         9   1   2   .   .   .   .   .   .   .   .   B   296   .   N    parsed_2llq   2   
        10   1   1   .   .   .   .   .   .   .   .   B   292   .   O    parsed_2llq   2   
        10   1   2   .   .   .   .   .   .   .   .   B   296   .   HN   parsed_2llq   2   
        11   1   1   .   .   .   .   .   .   .   .   B   293   .   O    parsed_2llq   2   
        11   1   2   .   .   .   .   .   .   .   .   B   297   .   N    parsed_2llq   2   
        12   1   1   .   .   .   .   .   .   .   .   B   293   .   O    parsed_2llq   2   
        12   1   2   .   .   .   .   .   .   .   .   B   297   .   HN   parsed_2llq   2   
        13   1   1   .   .   .   .   .   .   .   .   B   294   .   O    parsed_2llq   2   
        13   1   2   .   .   .   .   .   .   .   .   B   298   .   N    parsed_2llq   2   
        14   1   1   .   .   .   .   .   .   .   .   B   294   .   O    parsed_2llq   2   
        14   1   2   .   .   .   .   .   .   .   .   B   298   .   HN   parsed_2llq   2   
        15   1   1   .   .   .   .   .   .   .   .   B   295   .   O    parsed_2llq   2   
        15   1   2   .   .   .   .   .   .   .   .   B   299   .   N    parsed_2llq   2   
        16   1   1   .   .   .   .   .   .   .   .   B   295   .   O    parsed_2llq   2   
        16   1   2   .   .   .   .   .   .   .   .   B   299   .   HN   parsed_2llq   2   
        17   1   1   .   .   .   .   .   .   .   .   B   296   .   O    parsed_2llq   2   
        17   1   2   .   .   .   .   .   .   .   .   B   300   .   N    parsed_2llq   2   
        18   1   1   .   .   .   .   .   .   .   .   B   296   .   O    parsed_2llq   2   
        18   1   2   .   .   .   .   .   .   .   .   B   300   .   HN   parsed_2llq   2   
        19   1   1   .   .   .   .   .   .   .   .   B   297   .   O    parsed_2llq   2   
        19   1   2   .   .   .   .   .   .   .   .   B   301   .   N    parsed_2llq   2   
        20   1   1   .   .   .   .   .   .   .   .   B   297   .   O    parsed_2llq   2   
        20   1   2   .   .   .   .   .   .   .   .   B   301   .   HN   parsed_2llq   2   
        21   1   1   .   .   .   .   .   .   .   .   B   298   .   O    parsed_2llq   2   
        21   1   2   .   .   .   .   .   .   .   .   B   302   .   N    parsed_2llq   2   
        22   1   1   .   .   .   .   .   .   .   .   B   298   .   O    parsed_2llq   2   
        22   1   2   .   .   .   .   .   .   .   .   B   302   .   HN   parsed_2llq   2   
        23   1   1   .   .   .   .   .   .   .   .   B   299   .   O    parsed_2llq   2   
        23   1   2   .   .   .   .   .   .   .   .   B   303   .   N    parsed_2llq   2   
        24   1   1   .   .   .   .   .   .   .   .   B   299   .   O    parsed_2llq   2   
        24   1   2   .   .   .   .   .   .   .   .   B   303   .   HN   parsed_2llq   2   
        25   1   1   .   .   .   .   .   .   .   .   B   300   .   O    parsed_2llq   2   
        25   1   2   .   .   .   .   .   .   .   .   B   304   .   N    parsed_2llq   2   
        26   1   1   .   .   .   .   .   .   .   .   B   300   .   O    parsed_2llq   2   
        26   1   2   .   .   .   .   .   .   .   .   B   304   .   HN   parsed_2llq   2   
        27   1   1   .   .   .   .   .   .   .   .   B   301   .   O    parsed_2llq   2   
        27   1   2   .   .   .   .   .   .   .   .   B   305   .   N    parsed_2llq   2   
        28   1   1   .   .   .   .   .   .   .   .   B   301   .   O    parsed_2llq   2   
        28   1   2   .   .   .   .   .   .   .   .   B   305   .   HN   parsed_2llq   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   .   .   .   .   .   0.0   0.0   3.3   parsed_2llq   2   
         2   1   .   .   .   .   .   0.0   0.0   2.3   parsed_2llq   2   
         3   1   .   .   .   .   .   0.0   0.0   3.3   parsed_2llq   2   
         4   1   .   .   .   .   .   0.0   0.0   2.3   parsed_2llq   2   
         5   1   .   .   .   .   .   0.0   0.0   3.3   parsed_2llq   2   
         6   1   .   .   .   .   .   0.0   0.0   2.3   parsed_2llq   2   
         7   1   .   .   .   .   .   0.0   0.0   3.3   parsed_2llq   2   
         8   1   .   .   .   .   .   0.0   0.0   2.3   parsed_2llq   2   
         9   1   .   .   .   .   .   0.0   0.0   3.3   parsed_2llq   2   
        10   1   .   .   .   .   .   0.0   0.0   2.3   parsed_2llq   2   
        11   1   .   .   .   .   .   0.0   0.0   3.3   parsed_2llq   2   
        12   1   .   .   .   .   .   0.0   0.0   2.3   parsed_2llq   2   
        13   1   .   .   .   .   .   0.0   0.0   3.3   parsed_2llq   2   
        14   1   .   .   .   .   .   0.0   0.0   2.3   parsed_2llq   2   
        15   1   .   .   .   .   .   0.0   0.0   3.3   parsed_2llq   2   
        16   1   .   .   .   .   .   0.0   0.0   2.3   parsed_2llq   2   
        17   1   .   .   .   .   .   0.0   0.0   3.3   parsed_2llq   2   
        18   1   .   .   .   .   .   0.0   0.0   2.3   parsed_2llq   2   
        19   1   .   .   .   .   .   0.0   0.0   3.3   parsed_2llq   2   
        20   1   .   .   .   .   .   0.0   0.0   2.3   parsed_2llq   2   
        21   1   .   .   .   .   .   0.0   0.0   3.3   parsed_2llq   2   
        22   1   .   .   .   .   .   0.0   0.0   2.3   parsed_2llq   2   
        23   1   .   .   .   .   .   0.0   0.0   3.3   parsed_2llq   2   
        24   1   .   .   .   .   .   0.0   0.0   2.3   parsed_2llq   2   
        25   1   .   .   .   .   .   0.0   0.0   3.3   parsed_2llq   2   
        26   1   .   .   .   .   .   0.0   0.0   2.3   parsed_2llq   2   
        27   1   .   .   .   .   .   0.0   0.0   3.3   parsed_2llq   2   
        28   1   .   .   .   .   .   0.0   0.0   2.3   parsed_2llq   2   
    stop_

save_


save_CNS/XPLOR_dipolar_coupling_5
    _RDC_constraint_list.Sf_category         RDC_constraints 
    _RDC_constraint_list.Entry_ID            parsed_2llq 
    _RDC_constraint_list.ID                  1 
    _RDC_constraint_list.Constraint_file_ID  1 
    _RDC_constraint_list.Block_ID            5 
    _RDC_constraint_list.Details            "Generated by Wattos" 

    loop_
        _RDC_constraint.ID 
        _RDC_constraint.Assembly_atom_ID_1 
        _RDC_constraint.Entity_assembly_ID_1 
        _RDC_constraint.Entity_ID_1 
        _RDC_constraint.Comp_index_ID_1 
        _RDC_constraint.Seq_ID_1 
        _RDC_constraint.Comp_ID_1 
        _RDC_constraint.Atom_ID_1 
        _RDC_constraint.Resonance_ID_1 
        _RDC_constraint.Assembly_atom_ID_2 
        _RDC_constraint.Entity_assembly_ID_2 
        _RDC_constraint.Entity_ID_2 
        _RDC_constraint.Comp_index_ID_2 
        _RDC_constraint.Seq_ID_2 
        _RDC_constraint.Comp_ID_2 
        _RDC_constraint.Atom_ID_2 
        _RDC_constraint.Resonance_ID_2 
        _RDC_constraint.RDC_val 
        _RDC_constraint.RDC_lower_bound 
        _RDC_constraint.RDC_upper_bound 
        _RDC_constraint.RDC_val_err 
        _RDC_constraint.Source_experiment_ID 
        _RDC_constraint.Auth_asym_ID_1 
        _RDC_constraint.Auth_seq_ID_1 
        _RDC_constraint.Auth_comp_ID_1 
        _RDC_constraint.Auth_atom_ID_1 
        _RDC_constraint.Auth_asym_ID_2 
        _RDC_constraint.Auth_seq_ID_2 
        _RDC_constraint.Auth_comp_ID_2 
        _RDC_constraint.Auth_atom_ID_2 
        _RDC_constraint.Entry_ID 
        _RDC_constraint.RDC_constraint_list_ID 

         1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.818   .   .   .   .   A    83   .   N   A    83   .   HN   parsed_2llq   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.117   .   .   .   .   A    84   .   N   A    84   .   HN   parsed_2llq   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -15.644   .   .   .   .   A    85   .   N   A    85   .   HN   parsed_2llq   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -12.519   .   .   .   .   A    86   .   N   A    86   .   HN   parsed_2llq   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.935   .   .   .   .   A    87   .   N   A    87   .   HN   parsed_2llq   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.364   .   .   .   .   A    88   .   N   A    88   .   HN   parsed_2llq   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -12.064   .   .   .   .   A    89   .   N   A    89   .   HN   parsed_2llq   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.507   .   .   .   .   A    90   .   N   A    90   .   HN   parsed_2llq   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     8.311   .   .   .   .   A    91   .   N   A    91   .   HN   parsed_2llq   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.946   .   .   .   .   A    92   .   N   A    92   .   HN   parsed_2llq   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    20.344   .   .   .   .   A   102   .   N   A   102   .   HN   parsed_2llq   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    12.078   .   .   .   .   A   103   .   N   A   103   .   HN   parsed_2llq   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    11.662   .   .   .   .   A   104   .   N   A   104   .   HN   parsed_2llq   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    17.011   .   .   .   .   A   105   .   N   A   105   .   HN   parsed_2llq   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    18.412   .   .   .   .   A   106   .   N   A   106   .   HN   parsed_2llq   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    12.347   .   .   .   .   A   108   .   N   A   108   .   HN   parsed_2llq   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    19.729   .   .   .   .   A   109   .   N   A   109   .   HN   parsed_2llq   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    17.55    .   .   .   .   A   110   .   N   A   110   .   HN   parsed_2llq   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.868   .   .   .   .   A   111   .   N   A   111   .   HN   parsed_2llq   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    15.166   .   .   .   .   A   112   .   N   A   112   .   HN   parsed_2llq   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -15.732   .   .   .   .   A   118   .   N   A   118   .   HN   parsed_2llq   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -17.166   .   .   .   .   A   119   .   N   A   119   .   HN   parsed_2llq   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     9.445   .   .   .   .   A   120   .   N   A   120   .   HN   parsed_2llq   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -13.291   .   .   .   .   A   121   .   N   A   121   .   HN   parsed_2llq   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -14.187   .   .   .   .   A   122   .   N   A   122   .   HN   parsed_2llq   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.315   .   .   .   .   A   123   .   N   A   123   .   HN   parsed_2llq   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.901   .   .   .   .   A   124   .   N   A   124   .   HN   parsed_2llq   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -12.242   .   .   .   .   A   125   .   N   A   125   .   HN   parsed_2llq   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -15.178   .   .   .   .   A   126   .   N   A   126   .   HN   parsed_2llq   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.41    .   .   .   .   A   127   .   N   A   127   .   HN   parsed_2llq   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.828   .   .   .   .   A   128   .   N   A   128   .   HN   parsed_2llq   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    13.597   .   .   .   .   A   138   .   N   A   138   .   HN   parsed_2llq   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    19.195   .   .   .   .   A   139   .   N   A   139   .   HN   parsed_2llq   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    18.909   .   .   .   .   A   140   .   N   A   140   .   HN   parsed_2llq   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    16.271   .   .   .   .   A   141   .   N   A   141   .   HN   parsed_2llq   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    18.372   .   .   .   .   A   142   .   N   A   142   .   HN   parsed_2llq   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    24.777   .   .   .   .   A   143   .   N   A   143   .   HN   parsed_2llq   1   
        38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    13.628   .   .   .   .   A   144   .   N   A   144   .   HN   parsed_2llq   1   
    stop_


    loop_
        _RDC_constraint_comment_org.ID 
        _RDC_constraint_comment_org.Comment_text 
        _RDC_constraint_comment_org.Comment_begin_line 
        _RDC_constraint_comment_org.Comment_begin_column 
        _RDC_constraint_comment_org.Comment_end_line 
        _RDC_constraint_comment_org.Comment_end_column 
        _RDC_constraint_comment_org.Entry_ID 
        _RDC_constraint_comment_org.RDC_constraint_list_ID 

        1   
;
Dipolar couplings measured in ~17mg/ml Pf1 at 20mM Tris-d11, 50mM NaCl,
5mM CaCl2, pH 7.0. The quadrapolar splitting of the liquid crystal
is 16.6 Hz
38 NH Couplings
;
   1   1   4   18   parsed_2llq   1   
    stop_

save_





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