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 subsubtype item_count
590180 2mok 19945 cing 2-parsed STAR distance general distance simple 35


data_2mok_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2mok 
    _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_2mok   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2mok 
    _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   2mok   "Master copy"    parsed_2mok   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2mok 
    _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   2mok.mr   .   .   "MR format"    1    comment                  "Not applicable"      "Not applicable"     0   parsed_2mok   1   
        1   2mok.mr   .   .    DYANA/DIANA   2    distance                 "hydrogen bond"        simple              2   parsed_2mok   1   
        1   2mok.mr   .   .    DYANA/DIANA   3    distance                  NOE                   simple             35   parsed_2mok   1   
        1   2mok.mr   .   .    DYANA/DIANA   4    distance                 "general distance"     simple             35   parsed_2mok   1   
        1   2mok.mr   .   .    DYANA/DIANA   5    distance                  NOE                   simple              0   parsed_2mok   1   
        1   2mok.mr   .   .   "MR format"    6   "nomenclature mapping"    "Not applicable"      "Not applicable"     0   parsed_2mok   1   
    stop_

save_


save_DYANA/DIANA_distance_constraints_4
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_2mok 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type    "general distance" 
    _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_2mok   1   
         2   1   .   .   .   parsed_2mok   1   
         3   1   .   .   .   parsed_2mok   1   
         4   1   .   .   .   parsed_2mok   1   
         5   1   .   .   .   parsed_2mok   1   
         6   1   .   .   .   parsed_2mok   1   
         7   1   .   .   .   parsed_2mok   1   
         8   1   .   .   .   parsed_2mok   1   
         9   1   .   .   .   parsed_2mok   1   
        10   1   .   .   .   parsed_2mok   1   
        11   1   .   .   .   parsed_2mok   1   
        12   1   .   .   .   parsed_2mok   1   
        13   1   .   .   .   parsed_2mok   1   
        14   1   .   .   .   parsed_2mok   1   
        15   1   .   .   .   parsed_2mok   1   
        16   1   .   .   .   parsed_2mok   1   
        17   1   .   .   .   parsed_2mok   1   
        18   1   .   .   .   parsed_2mok   1   
        19   1   .   .   .   parsed_2mok   1   
        20   1   .   .   .   parsed_2mok   1   
        21   1   .   .   .   parsed_2mok   1   
        22   1   .   .   .   parsed_2mok   1   
        23   1   .   .   .   parsed_2mok   1   
        24   1   .   .   .   parsed_2mok   1   
        25   1   .   .   .   parsed_2mok   1   
        26   1   .   .   .   parsed_2mok   1   
        27   1   .   .   .   parsed_2mok   1   
        28   1   .   .   .   parsed_2mok   1   
        29   1   .   .   .   parsed_2mok   1   
        30   1   .   .   .   parsed_2mok   1   
        31   1   .   .   .   parsed_2mok   1   
        32   1   .   .   .   parsed_2mok   1   
        33   1   .   .   .   parsed_2mok   1   
        34   1   .   .   .   parsed_2mok   1   
        35   1   .   .   .   parsed_2mok   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   .   .   .   .   .   .   .   .   .    98   PHE   H     parsed_2mok   1   
         1   1   2   .   .   .   .   .   .   .   .   .   199   FMN   HN3   parsed_2mok   1   
         2   1   1   .   .   .   .   .   .   .   .   .    97   TYR   H     parsed_2mok   1   
         2   1   2   .   .   .   .   .   .   .   .   .   199   FMN   HN3   parsed_2mok   1   
         3   1   1   .   .   .   .   .   .   .   .   .    60   GLY   H     parsed_2mok   1   
         3   1   2   .   .   .   .   .   .   .   .   .   199   FMN   HN3   parsed_2mok   1   
         4   1   1   .   .   .   .   .   .   .   .   .    56   THR   HB    parsed_2mok   1   
         4   1   2   .   .   .   .   .   .   .   .   .   199   FMN   HN3   parsed_2mok   1   
         5   1   1   .   .   .   .   .   .   .   .   .    56   THR   QG2   parsed_2mok   1   
         5   1   2   .   .   .   .   .   .   .   .   .   199   FMN   HN3   parsed_2mok   1   
         6   1   1   .   .   .   .   .   .   .   .   .    98   PHE   HB2   parsed_2mok   1   
         6   1   2   .   .   .   .   .   .   .   .   .   199   FMN   HN3   parsed_2mok   1   
         7   1   1   .   .   .   .   .   .   .   .   .    98   PHE   HB3   parsed_2mok   1   
         7   1   2   .   .   .   .   .   .   .   .   .   199   FMN   HN3   parsed_2mok   1   
         8   1   1   .   .   .   .   .   .   .   .   .    98   PHE   HA    parsed_2mok   1   
         8   1   2   .   .   .   .   .   .   .   .   .   199   FMN   HN3   parsed_2mok   1   
         9   1   1   .   .   .   .   .   .   .   .   .    97   TYR   HA    parsed_2mok   1   
         9   1   2   .   .   .   .   .   .   .   .   .   199   FMN   HN3   parsed_2mok   1   
        10   1   1   .   .   .   .   .   .   .   .   .    94   TYR   HA    parsed_2mok   1   
        10   1   2   .   .   .   .   .   .   .   .   .   199   FMN   HN3   parsed_2mok   1   
        11   1   1   .   .   .   .   .   .   .   .   .    94   TYR   HB2   parsed_2mok   1   
        11   1   2   .   .   .   .   .   .   .   .   .   199   FMN   HN3   parsed_2mok   1   
        12   1   1   .   .   .   .   .   .   .   .   .    94   TYR   HB3   parsed_2mok   1   
        12   1   2   .   .   .   .   .   .   .   .   .   199   FMN   HN3   parsed_2mok   1   
        13   1   1   .   .   .   .   .   .   .   .   .    97   TYR   HB2   parsed_2mok   1   
        13   1   2   .   .   .   .   .   .   .   .   .   199   FMN   HN3   parsed_2mok   1   
        14   1   1   .   .   .   .   .   .   .   .   .    97   TYR   HB3   parsed_2mok   1   
        14   1   2   .   .   .   .   .   .   .   .   .   199   FMN   HN3   parsed_2mok   1   
        15   1   1   .   .   .   .   .   .   .   .   .    99   CYS   H     parsed_2mok   1   
        15   1   2   .   .   .   .   .   .   .   .   .   199   FMN   HN3   parsed_2mok   1   
        16   1   1   .   .   .   .   .   .   .   .   .   100   ASP   H     parsed_2mok   1   
        16   1   2   .   .   .   .   .   .   .   .   .   199   FMN   HN3   parsed_2mok   1   
        17   1   1   .   .   .   .   .   .   .   .   .    58   TYR   H     parsed_2mok   1   
        17   1   2   .   .   .   .   .   .   .   .   .   199   FMN   H6    parsed_2mok   1   
        18   1   1   .   .   .   .   .   .   .   .   .    59   TYR   H     parsed_2mok   1   
        18   1   2   .   .   .   .   .   .   .   .   .   199   FMN   H6    parsed_2mok   1   
        19   1   1   .   .   .   .   .   .   .   .   .    57   TRP   HA    parsed_2mok   1   
        19   1   2   .   .   .   .   .   .   .   .   .   199   FMN   H6    parsed_2mok   1   
        20   1   1   .   .   .   .   .   .   .   .   .    58   TYR   HA    parsed_2mok   1   
        20   1   2   .   .   .   .   .   .   .   .   .   199   FMN   H6    parsed_2mok   1   
        21   1   1   .   .   .   .   .   .   .   .   .    58   TYR   HB2   parsed_2mok   1   
        21   1   2   .   .   .   .   .   .   .   .   .   199   FMN   H6    parsed_2mok   1   
        22   1   1   .   .   .   .   .   .   .   .   .    94   TYR   HD1   parsed_2mok   1   
        22   1   2   .   .   .   .   .   .   .   .   .   199   FMN   H6    parsed_2mok   1   
        23   1   1   .   .   .   .   .   .   .   .   .    57   TRP   HE3   parsed_2mok   1   
        23   1   2   .   .   .   .   .   .   .   .   .   199   FMN   H6    parsed_2mok   1   
        24   1   1   .   .   .   .   .   .   .   .   .    57   TRP   HE3   parsed_2mok   1   
        24   1   2   .   .   .   .   .   .   .   .   .   199   FMN   H9    parsed_2mok   1   
        25   1   1   .   .   .   .   .   .   .   .   .    57   TRP   HE3   parsed_2mok   1   
        25   1   2   .   .   .   .   .   .   .   .   .   199   FMN   Q7M   parsed_2mok   1   
        26   1   1   .   .   .   .   .   .   .   .   .    57   TRP   HE3   parsed_2mok   1   
        26   1   2   .   .   .   .   .   .   .   .   .   199   FMN   Q8M   parsed_2mok   1   
        27   1   1   .   .   .   .   .   .   .   .   .    90   ASP   HB2   parsed_2mok   1   
        27   1   2   .   .   .   .   .   .   .   .   .   199   FMN   H9    parsed_2mok   1   
        28   1   1   .   .   .   .   .   .   .   .   .    58   TYR   H     parsed_2mok   1   
        28   1   2   .   .   .   .   .   .   .   .   .   199   FMN   Q7M   parsed_2mok   1   
        29   1   1   .   .   .   .   .   .   .   .   .    58   TYR   QD    parsed_2mok   1   
        29   1   2   .   .   .   .   .   .   .   .   .   199   FMN   Q7M   parsed_2mok   1   
        30   1   1   .   .   .   .   .   .   .   .   .    58   TYR   QE    parsed_2mok   1   
        30   1   2   .   .   .   .   .   .   .   .   .   199   FMN   Q7M   parsed_2mok   1   
        31   1   1   .   .   .   .   .   .   .   .   .    57   TRP   HZ3   parsed_2mok   1   
        31   1   2   .   .   .   .   .   .   .   .   .   199   FMN   Q8M   parsed_2mok   1   
        32   1   1   .   .   .   .   .   .   .   .   .    57   TRP   HH2   parsed_2mok   1   
        32   1   2   .   .   .   .   .   .   .   .   .   199   FMN   Q8M   parsed_2mok   1   
        33   1   1   .   .   .   .   .   .   .   .   .    11   ASP   H     parsed_2mok   1   
        33   1   2   .   .   .   .   .   .   .   .   .   199   FMN   P     parsed_2mok   1   
        34   1   1   .   .   .   .   .   .   .   .   .    14   ASN   H     parsed_2mok   1   
        34   1   2   .   .   .   .   .   .   .   .   .   199   FMN   P     parsed_2mok   1   
        35   1   1   .   .   .   .   .   .   .   .   .    15   THR   H     parsed_2mok   1   
        35   1   2   .   .   .   .   .   .   .   .   .   199   FMN   P     parsed_2mok   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   .   .   .   .   .   .   .   5.7   parsed_2mok   1   
         2   1   .   .   .   .   .   .   .   6.3   parsed_2mok   1   
         3   1   .   .   .   .   .   .   .   5.0   parsed_2mok   1   
         4   1   .   .   .   .   .   .   .   3.0   parsed_2mok   1   
         5   1   .   .   .   .   .   .   .   2.8   parsed_2mok   1   
         6   1   .   .   .   .   .   .   .   6.2   parsed_2mok   1   
         7   1   .   .   .   .   .   .   .   6.2   parsed_2mok   1   
         8   1   .   .   .   .   .   .   .   3.7   parsed_2mok   1   
         9   1   .   .   .   .   .   .   .   4.5   parsed_2mok   1   
        10   1   .   .   .   .   .   .   .   6.2   parsed_2mok   1   
        11   1   .   .   .   .   .   .   .   4.5   parsed_2mok   1   
        12   1   .   .   .   .   .   .   .   4.0   parsed_2mok   1   
        13   1   .   .   .   .   .   .   .   3.7   parsed_2mok   1   
        14   1   .   .   .   .   .   .   .   3.7   parsed_2mok   1   
        15   1   .   .   .   .   .   .   .   3.0   parsed_2mok   1   
        16   1   .   .   .   .   .   .   .   4.5   parsed_2mok   1   
        17   1   .   .   .   .   .   .   .   3.0   parsed_2mok   1   
        18   1   .   .   .   .   .   .   .   4.5   parsed_2mok   1   
        19   1   .   .   .   .   .   .   .   5.0   parsed_2mok   1   
        20   1   .   .   .   .   .   .   .   3.5   parsed_2mok   1   
        21   1   .   .   .   .   .   .   .   5.0   parsed_2mok   1   
        22   1   .   .   .   .   .   .   .   4.4   parsed_2mok   1   
        23   1   .   .   .   .   .   .   .   5.5   parsed_2mok   1   
        24   1   .   .   .   .   .   .   .   0     parsed_2mok   1   
        25   1   .   .   .   .   .   .   .   5.5   parsed_2mok   1   
        26   1   .   .   .   .   .   .   .   0     parsed_2mok   1   
        27   1   .   .   .   .   .   .   .   5.0   parsed_2mok   1   
        28   1   .   .   .   .   .   .   .   5.5   parsed_2mok   1   
        29   1   .   .   .   .   .   .   .   5.0   parsed_2mok   1   
        30   1   .   .   .   .   .   .   .   0     parsed_2mok   1   
        31   1   .   .   .   .   .   .   .   3.0   parsed_2mok   1   
        32   1   .   .   .   .   .   .   .   4.0   parsed_2mok   1   
        33   1   .   .   .   .   .   .   .   3.5   parsed_2mok   1   
        34   1   .   .   .   .   .   .   .   3.8   parsed_2mok   1   
        35   1   .   .   .   .   .   .   .   3.6   parsed_2mok   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   "TO HN3"                                                       1    1    1    7   parsed_2mok   1   
         2   "1482, 2732"                                                   2   27    2   37   parsed_2mok   1   
         3   "1461, 2732"                                                   3   27    3   37   parsed_2mok   1   
         4   "919, 2372"                                                    4   27    4   36   parsed_2mok   1   
         5   "89 GLY HA3 199 FMN HN3 5.5"                                   5    1    5   27   parsed_2mok   1   
         6   "100 ASP HB3 199 FMN HN3 5.5"                                  6    1    6   28   parsed_2mok   1   
         7   "843, 2732"                                                    7   29    7   38   parsed_2mok   1   
         8   "845-847, 2732"                                                8   29    8   42   parsed_2mok   1   
         9   "1486, 2732"                                                   9   29    9   39   parsed_2mok   1   
        10   "1487, 2732"                                                  10   29   10   39   parsed_2mok   1   
        11   "1484, 2732"                                                  11   29   11   39   parsed_2mok   1   
        12   "1463, 2732"                                                  12   29   12   39   parsed_2mok   1   
        13   "1417, 2732"                                                  13   29   13   39   parsed_2mok   1   
        14   "1419, 2732"                                                  14   29   14   39   parsed_2mok   1   
        15   "1420, 2732"                                                  15   29   15   39   parsed_2mok   1   
        16   "1465, 2732"                                                  16   29   16   39   parsed_2mok   1   
        17   "1466, 2732"                                                  17   29   17   39   parsed_2mok   1   
        18   "1502, 2732"                                                  18   28   18   38   parsed_2mok   1   
        19   "1513, 2732"                                                  19   28   19   38   parsed_2mok   1   
        20   "TO H6"                                                       21    1   21    6   parsed_2mok   1   
        21   "877, 2752"                                                   22   27   22   36   parsed_2mok   1   
        22   "898, 2752"                                                   23   27   23   36   parsed_2mok   1   
        23   "855, 2752"                                                   24   28   24   37   parsed_2mok   1   
        24   "879, 2752"                                                   25   28   25   37   parsed_2mok   1   
        25   "881, 2752"                                                   26   28   26   37   parsed_2mok   1   
        26   "1423, 2752"                                                  27   28   27   38   parsed_2mok   1   
        27   "0.5000 5000:21 5.0  #872, 2752/2740"                         30   28   30   64   parsed_2mok   1   
        28   "0.5000 5000:21 AMB"                                          31   26   31   45   parsed_2mok   1   
        29   "0.5000 5001:21 5.0  #872, 2748-2750, 2743-2745"              32   29   32   76   parsed_2mok   1   
        30   "0.5000 5001:21 AMB"                                          33   27   33   46   parsed_2mok   1   
        31   "TO H9"                                                       36    1   36    6   parsed_2mok   1   
        32   "1363, 2740"                                                  37   28   37   38   parsed_2mok   1   
        33   "TO Q7M"                                                      39    1   39    7   parsed_2mok   1   
        34   "877, 2748-2750"                                              40   58   40   72   parsed_2mok   1   
        35   "0.5000 5001:21 4.5       #885, 887, 892, 894 --2748-2750"    41   28   41   88   parsed_2mok   1   
        36   "0.5000 5002:21 AMB"                                          42   26   42   45   parsed_2mok   1   
        37   "TO Q8M"                                                      44    1   44    7   parsed_2mok   1   
        38   "870, 2743-2745"                                              45   30   45   44   parsed_2mok   1   
        39   "868, 2743-2745"                                              46   30   46   44   parsed_2mok   1   
        40   "TO PHOSPHATE GROUP"                                          48    1   48   19   parsed_2mok   1   
        41   "148, 2704"                                                   49   26   49   35   parsed_2mok   1   
        42   "181, 2704"                                                   50   26   50   35   parsed_2mok   1   
    stop_

save_





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