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
545901 2lib 17887 cing 2-parsed STAR distance NOE simple 27


data_2lib_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2lib 
    _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_2lib   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2lib 
    _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   2lib   "Master copy"    parsed_2lib   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2lib 
    _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   2lib.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"      0   parsed_2lib   1   
        1   2lib.mr   .   .    AMBER         2   "dihedral angle"          "Not applicable"    "Not applicable"    181   parsed_2lib   1   
        1   2lib.mr   .   .    AMBER         3    distance                  NOE                 simple             246   parsed_2lib   1   
        1   2lib.mr   .   .    AMBER         4    distance                 "hydrogen bond"      simple              25   parsed_2lib   1   
        1   2lib.mr   .   .    AMBER         5    distance                  NOE                 simple              27   parsed_2lib   1   
        1   2lib.mr   .   .    AMBER         6   "dipolar coupling"        "Not applicable"    "Not applicable"      0   parsed_2lib   1   
        1   2lib.mr   .   .   "MR format"    7   "nomenclature mapping"    "Not applicable"    "Not applicable"      0   parsed_2lib   1   
    stop_

save_


save_AMBER_distance_constraints_5
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_2lib 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type     NOE 
    _Distance_constraint_list.Constraint_file_ID  1 
    _Distance_constraint_list.Block_ID            5 
    _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_2lib   1   
         2   1   .   .   .   parsed_2lib   1   
         3   1   .   .   .   parsed_2lib   1   
         4   1   .   .   .   parsed_2lib   1   
         5   1   .   .   .   parsed_2lib   1   
         6   1   .   .   .   parsed_2lib   1   
         7   1   .   .   .   parsed_2lib   1   
         8   1   .   .   .   parsed_2lib   1   
         9   1   .   .   .   parsed_2lib   1   
        10   1   .   .   .   parsed_2lib   1   
        11   1   .   .   .   parsed_2lib   1   
        12   1   .   .   .   parsed_2lib   1   
        13   1   .   .   .   parsed_2lib   1   
        14   1   .   .   .   parsed_2lib   1   
        15   1   .   .   .   parsed_2lib   1   
        16   1   .   .   .   parsed_2lib   1   
        17   1   .   .   .   parsed_2lib   1   
        18   1   .   .   .   parsed_2lib   1   
        19   1   .   .   .   parsed_2lib   1   
        20   1   .   .   .   parsed_2lib   1   
        21   1   .   .   .   parsed_2lib   1   
        22   1   .   .   .   parsed_2lib   1   
        23   1   .   .   .   parsed_2lib   1   
        24   1   .   .   .   parsed_2lib   1   
        25   1   .   .   .   parsed_2lib   1   
        26   1   .   .   .   parsed_2lib   1   
        27   1   .   .   .   parsed_2lib   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   .   .   .   .   .   .   .   .   .    1   .   H1    parsed_2lib   1   
         1   1   2   .   .   .   .   .   .   .   .   .    2   .   H3    parsed_2lib   1   
         2   1   1   .   .   .   .   .   .   .   .   .   18   .   H1    parsed_2lib   1   
         2   1   2   .   .   .   .   .   .   .   .   .    2   .   H3    parsed_2lib   1   
         3   1   1   .   .   .   .   .   .   .   .   .   12   .   H1    parsed_2lib   1   
         3   1   2   .   .   .   .   .   .   .   .   .   13   .   H3    parsed_2lib   1   
         4   1   1   .   .   .   .   .   .   .   .   .    7   .   H1    parsed_2lib   1   
         4   1   2   .   .   .   .   .   .   .   .   .   13   .   H3    parsed_2lib   1   
         5   1   1   .   .   .   .   .   .   .   .   .   17   .   H1    parsed_2lib   1   
         5   1   2   .   .   .   .   .   .   .   .   .   18   .   H1    parsed_2lib   1   
         6   1   1   .   .   .   .   .   .   .   .   .   19   .   H2    parsed_2lib   1   
         6   1   2   .   .   .   .   .   .   .   .   .    2   .   H3    parsed_2lib   1   
         7   1   1   .   .   .   .   .   .   .   .   .    8   .   H2    parsed_2lib   1   
         7   1   2   .   .   .   .   .   .   .   .   .   13   .   H3    parsed_2lib   1   
         8   1   1   .   .   .   .   .   .   .   .   .    5   .   H2    parsed_2lib   1   
         8   1   2   .   .   .   .   .   .   .   .   .    6   .   H1    parsed_2lib   1   
         9   1   1   .   .   .   .   .   .   .   .   .    5   .   H2    parsed_2lib   1   
         9   1   2   .   .   .   .   .   .   .   .   .   17   .   H1    parsed_2lib   1   
        10   1   1   .   .   .   .   .   .   .   .   .    8   .   H2    parsed_2lib   1   
        10   1   2   .   .   .   .   .   .   .   .   .   12   .   H1    parsed_2lib   1   
        11   1   1   .   .   .   .   .   .   .   .   .    8   .   H2    parsed_2lib   1   
        11   1   2   .   .   .   .   .   .   .   .   .    7   .   H1    parsed_2lib   1   
        12   1   1   .   .   .   .   .   .   .   .   .   19   .   H2    parsed_2lib   1   
        12   1   2   .   .   .   .   .   .   .   .   .   18   .   H1    parsed_2lib   1   
        13   1   1   .   .   .   .   .   .   .   .   .    1   .   H1    parsed_2lib   1   
        13   1   2   .   .   .   .   .   .   .   .   .   20   .   H41   parsed_2lib   1   
        14   1   1   .   .   .   .   .   .   .   .   .    1   .   H1    parsed_2lib   1   
        14   1   2   .   .   .   .   .   .   .   .   .   20   .   H42   parsed_2lib   1   
        15   1   1   .   .   .   .   .   .   .   .   .   12   .   H1    parsed_2lib   1   
        15   1   2   .   .   .   .   .   .   .   .   .    9   .   H41   parsed_2lib   1   
        16   1   1   .   .   .   .   .   .   .   .   .   12   .   H1    parsed_2lib   1   
        16   1   2   .   .   .   .   .   .   .   .   .    9   .   H42   parsed_2lib   1   
        17   1   1   .   .   .   .   .   .   .   .   .    6   .   H1    parsed_2lib   1   
        17   1   2   .   .   .   .   .   .   .   .   .   15   .   H41   parsed_2lib   1   
        18   1   1   .   .   .   .   .   .   .   .   .    6   .   H1    parsed_2lib   1   
        18   1   2   .   .   .   .   .   .   .   .   .   15   .   H42   parsed_2lib   1   
        19   1   1   .   .   .   .   .   .   .   .   .    7   .   H1    parsed_2lib   1   
        19   1   2   .   .   .   .   .   .   .   .   .   14   .   H41   parsed_2lib   1   
        20   1   1   .   .   .   .   .   .   .   .   .    7   .   H1    parsed_2lib   1   
        20   1   2   .   .   .   .   .   .   .   .   .   14   .   H42   parsed_2lib   1   
        21   1   1   .   .   .   .   .   .   .   .   .   18   .   H1    parsed_2lib   1   
        21   1   2   .   .   .   .   .   .   .   .   .    3   .   H41   parsed_2lib   1   
        22   1   1   .   .   .   .   .   .   .   .   .   18   .   H1    parsed_2lib   1   
        22   1   2   .   .   .   .   .   .   .   .   .    3   .   H42   parsed_2lib   1   
        23   1   1   .   .   .   .   .   .   .   .   .   17   .   H1    parsed_2lib   1   
        23   1   2   .   .   .   .   .   .   .   .   .    4   .   H41   parsed_2lib   1   
        24   1   1   .   .   .   .   .   .   .   .   .   17   .   H1    parsed_2lib   1   
        24   1   2   .   .   .   .   .   .   .   .   .    4   .   H42   parsed_2lib   1   
        25   1   1   .   .   .   .   .   .   .   .   .    5   .   H2    parsed_2lib   1   
        25   1   2   .   .   .   .   .   .   .   .   .   15   .   H41   parsed_2lib   1   
        26   1   1   .   .   .   .   .   .   .   .   .    5   .   H2    parsed_2lib   1   
        26   1   2   .   .   .   .   .   .   .   .   .   15   .   H42   parsed_2lib   1   
        27   1   1   .   .   .   .   .   .   .   .   .    5   .   H2    parsed_2lib   1   
        27   1   2   .   .   .   .   .   .   .   .   .    4   .   H41   parsed_2lib   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   .   .   .   .   .   5.0   2.0   6.0   parsed_2lib   1   
         2   1   .   .   .   .   .   5.0   2.0   6.0   parsed_2lib   1   
         3   1   .   .   .   .   .   5.0   2.0   6.0   parsed_2lib   1   
         4   1   .   .   .   .   .   5.0   2.0   6.0   parsed_2lib   1   
         5   1   .   .   .   .   .   5.0   2.0   6.0   parsed_2lib   1   
         6   1   .   .   .   .   .   5.0   2.0   6.0   parsed_2lib   1   
         7   1   .   .   .   .   .   5.0   2.0   6.0   parsed_2lib   1   
         8   1   .   .   .   .   .   5.0   2.0   6.0   parsed_2lib   1   
         9   1   .   .   .   .   .   5.0   2.0   6.0   parsed_2lib   1   
        10   1   .   .   .   .   .   5.0   2.0   6.0   parsed_2lib   1   
        11   1   .   .   .   .   .   5.0   2.0   6.0   parsed_2lib   1   
        12   1   .   .   .   .   .   5.0   2.0   6.0   parsed_2lib   1   
        13   1   .   .   .   .   .   5.0   2.0   6.0   parsed_2lib   1   
        14   1   .   .   .   .   .   5.0   2.0   6.0   parsed_2lib   1   
        15   1   .   .   .   .   .   5.0   2.0   6.0   parsed_2lib   1   
        16   1   .   .   .   .   .   5.0   2.0   6.0   parsed_2lib   1   
        17   1   .   .   .   .   .   5.0   2.0   6.0   parsed_2lib   1   
        18   1   .   .   .   .   .   5.0   2.0   6.0   parsed_2lib   1   
        19   1   .   .   .   .   .   5.0   2.0   6.0   parsed_2lib   1   
        20   1   .   .   .   .   .   5.0   2.0   6.0   parsed_2lib   1   
        21   1   .   .   .   .   .   5.0   2.0   6.0   parsed_2lib   1   
        22   1   .   .   .   .   .   5.0   2.0   6.0   parsed_2lib   1   
        23   1   .   .   .   .   .   5.0   2.0   6.0   parsed_2lib   1   
        24   1   .   .   .   .   .   5.0   2.0   6.0   parsed_2lib   1   
        25   1   .   .   .   .   .   5.0   2.0   6.0   parsed_2lib   1   
        26   1   .   .   .   .   .   5.0   2.0   6.0   parsed_2lib   1   
        27   1   .   .   .   .   .   5.0   2.0   6.0   parsed_2lib   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   "distance constraint number   1"       1   1     1   33   parsed_2lib   1   
         2   "distance constraint number   2"       5   1     5   33   parsed_2lib   1   
         3   "distance constraint number   3"       9   1     9   33   parsed_2lib   1   
         4   "distance constraint number   4"      13   1    13   33   parsed_2lib   1   
         5   "distance constraint number   5"      17   1    17   33   parsed_2lib   1   
         6   "distance constraint number   6"      21   1    21   33   parsed_2lib   1   
         7   "distance constraint number   7"      25   1    25   33   parsed_2lib   1   
         8   "distance constraint number   8"      29   1    29   33   parsed_2lib   1   
         9   "distance constraint number   9"      33   1    33   33   parsed_2lib   1   
        10   "distance constraint number   10"     37   1    37   34   parsed_2lib   1   
        11   "distance constraint number   11"     41   1    41   34   parsed_2lib   1   
        12   "distance constraint number   12"     45   1    45   34   parsed_2lib   1   
        13   "distance constraint number   13"     49   1    49   34   parsed_2lib   1   
        14   "distance constraint number   14"     53   1    53   34   parsed_2lib   1   
        15   "distance constraint number   15"     57   1    57   34   parsed_2lib   1   
        16   "distance constraint number   16"     61   1    61   34   parsed_2lib   1   
        17   "distance constraint number   17"     65   1    65   34   parsed_2lib   1   
        18   "distance constraint number   18"     69   1    69   34   parsed_2lib   1   
        19   "distance constraint number   19"     73   1    73   34   parsed_2lib   1   
        20   "distance constraint number   20"     77   1    77   34   parsed_2lib   1   
        21   "distance constraint number   21"     81   1    81   34   parsed_2lib   1   
        22   "distance constraint number   22"     85   1    85   34   parsed_2lib   1   
        23   "distance constraint number   23"     89   1    89   34   parsed_2lib   1   
        24   "distance constraint number   24"     93   1    93   34   parsed_2lib   1   
        25   "distance constraint number   25"     97   1    97   34   parsed_2lib   1   
        26   "distance constraint number   26"    101   1   101   34   parsed_2lib   1   
        27   "distance constraint number   27"    105   1   105   34   parsed_2lib   1   
    stop_

save_





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