NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing in_recoord in_dress stage program type subtype subsubtype item_count
32256 1fo7 4641 cing recoord dress 2-parsed STAR distance NOE ambi 12


data_1fo7_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1fo7 
    _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_1fo7   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1fo7 
    _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   1fo7   "Master copy"    parsed_1fo7   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1fo7 
    _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   1fo7.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"     0   parsed_1fo7   1   
        1   1fo7.mr   .   .    XPLOR/CNS     2    distance                  NOE                 ambi               12   parsed_1fo7   1   
        1   1fo7.mr   .   .    XPLOR/CNS     3    distance                  NOE                 ambi                0   parsed_1fo7   1   
        1   1fo7.mr   .   .    XPLOR/CNS     4   "dihedral angle"          "Not applicable"    "Not applicable"     0   parsed_1fo7   1   
        1   1fo7.mr   .   .    XPLOR/CNS     5   "coupling constant"       "Not applicable"    "Not applicable"     0   parsed_1fo7   1   
        1   1fo7.mr   .   .    XPLOR/CNS     6    distance                 "hydrogen bond"      simple              0   parsed_1fo7   1   
        1   1fo7.mr   .   .   "MR format"    7   "nomenclature mapping"    "Not applicable"    "Not applicable"     0   parsed_1fo7   1   
    stop_

save_


save_CNS/XPLOR_distance_constraints_2
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_1fo7 
    _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_1fo7   1   
         2   1    .    .   .    parsed_1fo7   1   
         3   1    .    .   .    parsed_1fo7   1   
         4   1    .    .   .    parsed_1fo7   1   
         5   1   2    .   OR   parsed_1fo7   1   
         5   2    .   3   .    parsed_1fo7   1   
         5   3    .    .   .    parsed_1fo7   1   
         6   1    .    .   .    parsed_1fo7   1   
         7   1    .    .   .    parsed_1fo7   1   
         8   1    .    .   .    parsed_1fo7   1   
         9   1    .    .   .    parsed_1fo7   1   
        10   1    .    .   .    parsed_1fo7   1   
        11   1    .    .   .    parsed_1fo7   1   
        12   1    .    .   .    parsed_1fo7   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   .   .   .   .   .   .   .   .   "    "    199   .   HB     parsed_1fo7   1   
         1   1   2   .   .   .   .   .   .   .   .   "    "    199   .   HA     parsed_1fo7   1   
         2   1   1   .   .   .   .   .   .   .   .   "    "    199   .   HB     parsed_1fo7   1   
         2   1   2   .   .   .   .   .   .   .   .   "    "    199   .   HG2%   parsed_1fo7   1   
         3   1   1   .   .   .   .   .   .   .   .   "    "    190   .   HB     parsed_1fo7   1   
         3   1   2   .   .   .   .   .   .   .   .   "    "    187   .   HA     parsed_1fo7   1   
         4   1   1   .   .   .   .   .   .   .   .   "    "    190   .   HB     parsed_1fo7   1   
         4   1   2   .   .   .   .   .   .   .   .   "    "    190   .   HG2%   parsed_1fo7   1   
         5   2   1   .   .   .   .   .   .   .   .   "    "    193   .   HB     parsed_1fo7   1   
         5   2   2   .   .   .   .   .   .   .   .   "    "    194   .   HG2    parsed_1fo7   1   
         5   3   1   .   .   .   .   .   .   .   .   "    "    193   .   HB     parsed_1fo7   1   
         5   3   2   .   .   .   .   .   .   .   .   "    "    194   .   HG1    parsed_1fo7   1   
         6   1   1   .   .   .   .   .   .   .   .   "    "    192   .   HB     parsed_1fo7   1   
         6   1   2   .   .   .   .   .   .   .   .   "    "    197   .   HA     parsed_1fo7   1   
         7   1   1   .   .   .   .   .   .   .   .   "    "    193   .   HB     parsed_1fo7   1   
         7   1   2   .   .   .   .   .   .   .   .   "    "    193   .   HG2%   parsed_1fo7   1   
         8   1   1   .   .   .   .   .   .   .   .   "    "    192   .   HB     parsed_1fo7   1   
         8   1   2   .   .   .   .   .   .   .   .   "    "    189   .   HA     parsed_1fo7   1   
         9   1   1   .   .   .   .   .   .   .   .   "    "    191   .   HB     parsed_1fo7   1   
         9   1   2   .   .   .   .   .   .   .   .   "    "    190   .   HG2%   parsed_1fo7   1   
        10   1   1   .   .   .   .   .   .   .   .   "    "    191   .   HB     parsed_1fo7   1   
        10   1   2   .   .   .   .   .   .   .   .   "    "    194   .   HB2    parsed_1fo7   1   
        11   1   1   .   .   .   .   .   .   .   .   "    "    191   .   HB     parsed_1fo7   1   
        11   1   2   .   .   .   .   .   .   .   .   "    "    198   .   HD%    parsed_1fo7   1   
        12   1   1   .   .   .   .   .   .   .   .   "    "    191   .   HB     parsed_1fo7   1   
        12   1   2   .   .   .   .   .   .   .   .   "    "    191   .   HG2%   parsed_1fo7   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   .   2564   0.95998E-02   .   .   2.100   0.000   6.000   parsed_1fo7   1   
         2   1   .   2563   0.12663E-01   .   .   2.000   1.500   2.700   parsed_1fo7   1   
         3   1   .     29   0.36271E-02   .   .   2.500   0.000   6.000   parsed_1fo7   1   
         4   1   .     19   0.23674E-01   .   .   1.800   1.400   2.400   parsed_1fo7   1   
         5   2   .     17   0.10273E-02   .   .   3.400   2.200   4.800   parsed_1fo7   1   
         5   3   .     17   0.10273E-02   .   .   3.400   2.200   4.800   parsed_1fo7   1   
         6   1   .     30   0.14855E-02   .   .   2.900   0.000   6.000   parsed_1fo7   1   
         7   1   .     18   0.26280E-01   .   .   1.800   1.400   2.400   parsed_1fo7   1   
         8   1   .     26   0.34967E-02   .   .   2.500   0.000   6.000   parsed_1fo7   1   
         9   1   .      9   0.17636E-02   .   .   2.800   1.800   4.000   parsed_1fo7   1   
        10   1   .     15   0.89047E-03   .   .   3.200   0.000   6.000   parsed_1fo7   1   
        11   1   .     36   0.95998E-03   .   .   2.800   1.800   4.000   parsed_1fo7   1   
        12   1   .      7   0.18874E-01   .   .   1.900   1.400   2.600   parsed_1fo7   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                                          2564    2   7    2    7   parsed_1fo7   1   
         2   "unambigous NOE restraints in ARIA format"                                               1   1    1   42   parsed_1fo7   1   
         3                                          2563    6   7    6    7   parsed_1fo7   1   
         4                                            29   10   7   10    7   parsed_1fo7   1   
         5                                            19   14   7   14    7   parsed_1fo7   1   
         6                                            17   18   7   18    7   parsed_1fo7   1   
         7                                            17   22   5   22    5   parsed_1fo7   1   
         8                                            30   25   7   25    7   parsed_1fo7   1   
         9                                            18   29   7   29    7   parsed_1fo7   1   
        10                                            26   33   7   33    7   parsed_1fo7   1   
        11                                             9   37   7   37    7   parsed_1fo7   1   
        12                                            15   41   7   41    7   parsed_1fo7   1   
        13                                            36   45   7   45    7   parsed_1fo7   1   
        14                                             7   49   7   49    7   parsed_1fo7   1   
    stop_

save_





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