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 item_count
48841 2jor 15192 cing 2-parsed STAR dipolar coupling 32


data_2jor_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2jor 
    _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_2jor   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2jor 
    _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   2jor   "Master copy"    parsed_2jor   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2jor 
    _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   2jor.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"      0   parsed_2jor   1   
        1   2jor.mr   .   .    XPLOR/CNS     2    distance                  NOE                 simple             299   parsed_2jor   1   
        1   2jor.mr   .   .    XPLOR/CNS     3   "dipolar coupling"        "Not applicable"    "Not applicable"     32   parsed_2jor   1   
        1   2jor.mr   .   .    XPLOR/CNS     4   "dipolar coupling"        "Not applicable"    "Not applicable"      0   parsed_2jor   1   
        1   2jor.mr   .   .    XPLOR/CNS     5    distance                 "hydrogen bond"      simple               0   parsed_2jor   1   
        1   2jor.mr   .   .    XPLOR/CNS     6   "dihedral angle"          "Not applicable"    "Not applicable"      0   parsed_2jor   1   
        1   2jor.mr   .   .   "MR format"    7   "nomenclature mapping"    "Not applicable"    "Not applicable"      0   parsed_2jor   1   
    stop_

save_


save_CNS/XPLOR_dipolar_coupling_3
    _RDC_constraint_list.Sf_category         RDC_constraints 
    _RDC_constraint_list.Entry_ID            parsed_2jor 
    _RDC_constraint_list.ID                  1 
    _RDC_constraint_list.Constraint_file_ID  1 
    _RDC_constraint_list.Block_ID            3 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.442     7.442     7.442   .   .   .   15   .   N   .   15   .   HN   parsed_2jor   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    13.778    13.778    13.778   .   .   .   16   .   N   .   16   .   HN   parsed_2jor   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    15.198    15.198    15.198   .   .   .   17   .   N   .   17   .   HN   parsed_2jor   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.171     7.171     7.171   .   .   .   18   .   N   .   18   .   HN   parsed_2jor   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.501     7.501     7.501   .   .   .   19   .   N   .   19   .   HN   parsed_2jor   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.933     6.933     6.933   .   .   .   20   .   N   .   20   .   HN   parsed_2jor   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     8.840     8.840     8.840   .   .   .   21   .   N   .   21   .   HN   parsed_2jor   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.854     7.854     7.854   .   .   .   22   .   N   .   22   .   HN   parsed_2jor   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    17.636    17.636    17.636   .   .   .   23   .   N   .   23   .   HN   parsed_2jor   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    12.536    12.536    12.536   .   .   .   24   .   N   .   24   .   HN   parsed_2jor   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    18.719    18.719    18.719   .   .   .   25   .   N   .   25   .   HN   parsed_2jor   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    14.992    14.992    14.992   .   .   .   26   .   N   .   26   .   HN   parsed_2jor   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    23.259    23.259    23.259   .   .   .   27   .   N   .   27   .   HN   parsed_2jor   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     8.243     8.243     8.243   .   .   .   28   .   N   .   28   .   HN   parsed_2jor   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    22.756    22.756    22.756   .   .   .   29   .   N   .   29   .   HN   parsed_2jor   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.369     7.369     7.369   .   .   .   30   .   N   .   30   .   HN   parsed_2jor   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -16.029   -16.029   -16.029   .   .   .   31   .   N   .   31   .   HN   parsed_2jor   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.367     6.367     6.367   .   .   .   32   .   N   .   32   .   HN   parsed_2jor   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    10.496    10.496    10.496   .   .   .   33   .   N   .   33   .   HN   parsed_2jor   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    16.579    16.579    16.579   .   .   .   34   .   N   .   34   .   HN   parsed_2jor   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    20.756    20.756    20.756   .   .   .   36   .   N   .   36   .   HN   parsed_2jor   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    19.885    19.885    19.885   .   .   .   37   .   N   .   37   .   HN   parsed_2jor   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    22.280    22.280    22.280   .   .   .   38   .   N   .   38   .   HN   parsed_2jor   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.607     0.607     0.607   .   .   .   40   .   N   .   40   .   HN   parsed_2jor   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    15.244    15.244    15.244   .   .   .   41   .   N   .   41   .   HN   parsed_2jor   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.181    -0.181    -0.181   .   .   .   42   .   N   .   42   .   HN   parsed_2jor   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.648     7.648     7.648   .   .   .   43   .   N   .   43   .   HN   parsed_2jor   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.617     1.617     1.617   .   .   .   44   .   N   .   44   .   HN   parsed_2jor   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.131    -2.131    -2.131   .   .   .   45   .   N   .   45   .   HN   parsed_2jor   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.137    -2.137    -2.137   .   .   .   46   .   N   .   46   .   HN   parsed_2jor   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.360    -1.360    -1.360   .   .   .   47   .   N   .   47   .   HN   parsed_2jor   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     9.155     9.155     9.155   .   .   .   48   .   N   .   48   .   HN   parsed_2jor   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   "this table only includes residues for the hairpin"    1   1   1   51   parsed_2jor   1   
    stop_

save_





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