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
35485 1lpw 5394 cing 2-parsed STAR distance NOE simple 25


data_1lpw_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1lpw 
    _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_1lpw   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1lpw 
    _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   1lpw   "Master copy"    parsed_1lpw   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1lpw 
    _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   1lpw.mr   .   .   "MR format"     1    comment                  "Not applicable"      "Not applicable"      0   parsed_1lpw   1   
        1   1lpw.mr   .   .    n/a            2    comment                  "Not applicable"      "Not applicable"      0   parsed_1lpw   1   
        1   1lpw.mr   .   .    XPLOR/CNS      3    distance                 "general distance"     simple              40   parsed_1lpw   1   
        1   1lpw.mr   .   .    n/a            4    comment                  "Not applicable"      "Not applicable"      0   parsed_1lpw   1   
        1   1lpw.mr   .   .    XPLOR/CNS      5    distance                  NOE                   simple              74   parsed_1lpw   1   
        1   1lpw.mr   .   .    n/a            6    comment                  "Not applicable"      "Not applicable"      0   parsed_1lpw   1   
        1   1lpw.mr   .   .    XPLOR/CNS      7    distance                  NOE                   simple             107   parsed_1lpw   1   
        1   1lpw.mr   .   .    n/a            8    comment                  "Not applicable"      "Not applicable"      0   parsed_1lpw   1   
        1   1lpw.mr   .   .    XPLOR/CNS      9    distance                  NOE                   simple              25   parsed_1lpw   1   
        1   1lpw.mr   .   .    n/a           10    comment                  "Not applicable"      "Not applicable"      0   parsed_1lpw   1   
        1   1lpw.mr   .   .    XPLOR/CNS     11   "dihedral angle"          "Not applicable"      "Not applicable"      0   parsed_1lpw   1   
        1   1lpw.mr   .   .    n/a           12    comment                  "Not applicable"      "Not applicable"      0   parsed_1lpw   1   
        1   1lpw.mr   .   .    XPLOR/CNS     13   "dihedral angle"          "Not applicable"      "Not applicable"      0   parsed_1lpw   1   
        1   1lpw.mr   .   .    n/a           14    comment                  "Not applicable"      "Not applicable"      0   parsed_1lpw   1   
        1   1lpw.mr   .   .    XPLOR/CNS     15   "dihedral angle"          "Not applicable"      "Not applicable"      0   parsed_1lpw   1   
        1   1lpw.mr   .   .    n/a           16    comment                  "Not applicable"      "Not applicable"      0   parsed_1lpw   1   
        1   1lpw.mr   .   .    XPLOR/CNS     17   "dihedral angle"          "Not applicable"      "Not applicable"      0   parsed_1lpw   1   
        1   1lpw.mr   .   .    n/a           18    comment                  "Not applicable"      "Not applicable"      0   parsed_1lpw   1   
        1   1lpw.mr   .   .    XPLOR/CNS     19   "dihedral angle"          "Not applicable"      "Not applicable"      0   parsed_1lpw   1   
        1   1lpw.mr   .   .   "MR format"    20   "nomenclature mapping"    "Not applicable"      "Not applicable"      0   parsed_1lpw   1   
    stop_

save_


save_CNS/XPLOR_distance_constraints_9
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_1lpw 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type     NOE 
    _Distance_constraint_list.Constraint_file_ID  1 
    _Distance_constraint_list.Block_ID            9 
    _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_1lpw   1   
         2   1   .   .   .   parsed_1lpw   1   
         3   1   .   .   .   parsed_1lpw   1   
         4   1   .   .   .   parsed_1lpw   1   
         5   1   .   .   .   parsed_1lpw   1   
         6   1   .   .   .   parsed_1lpw   1   
         7   1   .   .   .   parsed_1lpw   1   
         8   1   .   .   .   parsed_1lpw   1   
         9   1   .   .   .   parsed_1lpw   1   
        10   1   .   .   .   parsed_1lpw   1   
        11   1   .   .   .   parsed_1lpw   1   
        12   1   .   .   .   parsed_1lpw   1   
        13   1   .   .   .   parsed_1lpw   1   
        14   1   .   .   .   parsed_1lpw   1   
        15   1   .   .   .   parsed_1lpw   1   
        16   1   .   .   .   parsed_1lpw   1   
        17   1   .   .   .   parsed_1lpw   1   
        18   1   .   .   .   parsed_1lpw   1   
        19   1   .   .   .   parsed_1lpw   1   
        20   1   .   .   .   parsed_1lpw   1   
        21   1   .   .   .   parsed_1lpw   1   
        22   1   .   .   .   parsed_1lpw   1   
        23   1   .   .   .   parsed_1lpw   1   
        24   1   .   .   .   parsed_1lpw   1   
        25   1   .   .   .   parsed_1lpw   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   .   .   .   .   .   .   .   .   b    5   .   h2    parsed_1lpw   1   
         1   1   2   .   .   .   .   .   .   .   .   a    6   .   h1'   parsed_1lpw   1   
         2   1   1   .   .   .   .   .   .   .   .   b    8   .   h2    parsed_1lpw   1   
         2   1   2   .   .   .   .   .   .   .   .   a    4   .   h1'   parsed_1lpw   1   
         3   1   1   .   .   .   .   .   .   .   .   b    2   .   h2    parsed_1lpw   1   
         3   1   2   .   .   .   .   .   .   .   .   b    3   .   h1'   parsed_1lpw   1   
         4   1   1   .   .   .   .   .   .   .   .   b    2   .   h2    parsed_1lpw   1   
         4   1   2   .   .   .   .   .   .   .   .   a    9   .   h1'   parsed_1lpw   1   
         5   1   1   .   .   .   .   .   .   .   .   b    8   .   h2    parsed_1lpw   1   
         5   1   2   .   .   .   .   .   .   .   .   b    9   .   h1'   parsed_1lpw   1   
         6   1   1   .   .   .   .   .   .   .   .   a    6   .   h2    parsed_1lpw   1   
         6   1   2   .   .   .   .   .   .   .   .   a    7   .   h1'   parsed_1lpw   1   
         7   1   1   .   .   .   .   .   .   .   .   a    9   .   h2    parsed_1lpw   1   
         7   1   2   .   .   .   .   .   .   .   .   b    2   .   h1'   parsed_1lpw   1   
         8   1   1   .   .   .   .   .   .   .   .   b    5   .   h2    parsed_1lpw   1   
         8   1   2   .   .   .   .   .   .   .   .   a    5   .   h1'   parsed_1lpw   1   
         9   1   1   .   .   .   .   .   .   .   .   b    2   .   h2    parsed_1lpw   1   
         9   1   2   .   .   .   .   .   .   .   .   a    9   .   h2'   parsed_1lpw   1   
        10   1   1   .   .   .   .   .   .   .   .   b    5   .   h2    parsed_1lpw   1   
        10   1   2   .   .   .   .   .   .   .   .   b    7   .   h1'   parsed_1lpw   1   
        11   1   1   .   .   .   .   .   .   .   .   b    6   .   h62   parsed_1lpw   1   
        11   1   2   .   .   .   .   .   .   .   .   a    4   .   h1'   parsed_1lpw   1   
        12   1   1   .   .   .   .   .   .   .   .   b    6   .   h61   parsed_1lpw   1   
        12   1   2   .   .   .   .   .   .   .   .   a    5   .   O4    parsed_1lpw   1   
        13   1   1   .   .   .   .   .   .   .   .   b    6   .   h8    parsed_1lpw   1   
        13   1   2   .   .   .   .   .   .   .   .   b    5   .   h2    parsed_1lpw   1   
        14   1   1   .   .   .   .   .   .   .   .   a    6   .   h8    parsed_1lpw   1   
        14   1   2   .   .   .   .   .   .   .   .   b    5   .   h2    parsed_1lpw   1   
        15   1   1   .   .   .   .   .   .   .   .   a    6   .   h2    parsed_1lpw   1   
        15   1   2   .   .   .   .   .   .   .   .   b    5   .   h8    parsed_1lpw   1   
        16   1   1   .   .   .   .   .   .   .   .   b    6   .   h2    parsed_1lpw   1   
        16   1   2   .   .   .   .   .   .   .   .   b    5   .   h2    parsed_1lpw   1   
        17   1   1   .   .   .   .   .   .   .   .   b    6   .   h8    parsed_1lpw   1   
        17   1   2   .   .   .   .   .   .   .   .   a    6   .   h2    parsed_1lpw   1   
        18   1   1   .   .   .   .   .   .   .   .   b    2   .   P     parsed_1lpw   1   
        18   1   2   .   .   .   .   .   .   .   .   a    2   .   P     parsed_1lpw   1   
        19   1   1   .   .   .   .   .   .   .   .   b   10   .   P     parsed_1lpw   1   
        19   1   2   .   .   .   .   .   .   .   .   a    9   .   P     parsed_1lpw   1   
        20   1   1   .   .   .   .   .   .   .   .   a    7   .   P     parsed_1lpw   1   
        20   1   2   .   .   .   .   .   .   .   .   b    7   .   c2'   parsed_1lpw   1   
        21   1   1   .   .   .   .   .   .   .   .   a    5   .   c1'   parsed_1lpw   1   
        21   1   2   .   .   .   .   .   .   .   .   b    7   .   c2'   parsed_1lpw   1   
        22   1   1   .   .   .   .   .   .   .   .   b    5   .   h2    parsed_1lpw   1   
        22   1   2   .   .   .   .   .   .   .   .   a    5   .   h2'   parsed_1lpw   1   
        23   1   1   .   .   .   .   .   .   .   .   b    6   .   h2    parsed_1lpw   1   
        23   1   2   .   .   .   .   .   .   .   .   b    7   .   h5    parsed_1lpw   1   
        24   1   1   .   .   .   .   .   .   .   .   b    6   .   h8    parsed_1lpw   1   
        24   1   2   .   .   .   .   .   .   .   .   b    7   .   h5    parsed_1lpw   1   
        25   1   1   .   .   .   .   .   .   .   .   b    6   .   h2    parsed_1lpw   1   
        25   1   2   .   .   .   .   .   .   .   .   a    4   .   h1    parsed_1lpw   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   .   .   .   .   .    4.50    2.50    5.40   parsed_1lpw   1   
         2   1   .   .   .   .   .    4.50    2.50    5.40   parsed_1lpw   1   
         3   1   .   .   .   .   .    4.50    2.50    5.40   parsed_1lpw   1   
         4   1   .   .   .   .   .    5.50    3.00    6.60   parsed_1lpw   1   
         5   1   .   .   .   .   .    4.50    2.50    5.40   parsed_1lpw   1   
         6   1   .   .   .   .   .    4.50    2.50    5.40   parsed_1lpw   1   
         7   1   .   .   .   .   .    5.50    3.00    6.60   parsed_1lpw   1   
         8   1   .   .   .   .   .    4.50    2.50    5.40   parsed_1lpw   1   
         9   1   .   .   .   .   .    5.50    3.00    6.60   parsed_1lpw   1   
        10   1   .   .   .   .   .    5.50    3.00    6.60   parsed_1lpw   1   
        11   1   .   .   .   .   .    5.00    5.00   35.00   parsed_1lpw   1   
        12   1   .   .   .   .   .    5.00    5.00   35.00   parsed_1lpw   1   
        13   1   .   .   .   .   .    5.00    5.00   35.00   parsed_1lpw   1   
        14   1   .   .   .   .   .    5.00    5.00   35.00   parsed_1lpw   1   
        15   1   .   .   .   .   .    5.00    5.00   35.00   parsed_1lpw   1   
        16   1   .   .   .   .   .    5.00    5.00   35.00   parsed_1lpw   1   
        17   1   .   .   .   .   .    5.00    5.00   35.00   parsed_1lpw   1   
        18   1   .   .   .   .   .   25.00   25.00   75.00   parsed_1lpw   1   
        19   1   .   .   .   .   .   25.00   25.00   75.00   parsed_1lpw   1   
        20   1   .   .   .   .   .   10.00   10.00   40.00   parsed_1lpw   1   
        21   1   .   .   .   .   .   10.00   10.00   40.00   parsed_1lpw   1   
        22   1   .   .   .   .   .    5.00    5.00   35.00   parsed_1lpw   1   
        23   1   .   .   .   .   .    5.00    5.00   35.00   parsed_1lpw   1   
        24   1   .   .   .   .   .    5.00    5.00   35.00   parsed_1lpw   1   
        25   1   .   .   .   .   .    5.00    5.00   35.00   parsed_1lpw   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                                                                         46    2   57    2    61   parsed_1lpw   1   
         2                                                                         48    4   57    4    61   parsed_1lpw   1   
         3                                                                         49    6   57    6    61   parsed_1lpw   1   
         4                                                                         50    8   57    8    61   parsed_1lpw   1   
         5                                                                         51   10   57   10    61   parsed_1lpw   1   
         6                                                                         52   12   57   12    61   parsed_1lpw   1   
         7                                                                         53   14   57   14    61   parsed_1lpw   1   
         8                                                                        125   17   57   17    62   parsed_1lpw   1   
         9                                                                        178   19   57   19    62   parsed_1lpw   1   
        10   
;
47
UNOES
;
                                                                          21   57   24     9   parsed_1lpw   1   
        11   "125 UNOE-no stacking (FLUORESCENCE)"                                                                                                             28   58   28    95   parsed_1lpw   1   
        12   "125 UNOE-no anti psi anti A pair (weird numbering psi) (FLUORESCENCE)"                                                                           31   58   31   129   parsed_1lpw   1   
        13   "125 UNOE-no A23H2-A24H8 NOE"                                                                                                                     34   58   34    87   parsed_1lpw   1   
        14   "125 UNOE-no A23H2-A7H8 NOE"                                                                                                                      36   58   36    86   parsed_1lpw   1   
        15   "125 UNOE-no A23H8-A7H2 NOE"                                                                                                                      38   58   38    86   parsed_1lpw   1   
        16   "125 UNOE-no A23H2-A24H2 NOE"                                                                                                                     40   58   40    88   parsed_1lpw   1   
        17   "UNOE-no A24H8-A7H2 NOE"                                                                                                                          42   58   42    83   parsed_1lpw   1   
        18   "125 UNOE-no dramatic kinking"                                                                                                                    45   59   45    89   parsed_1lpw   1   
        19   "125 UNOE-no dramatic kinking"                                                                                                                    47   59   47    89   parsed_1lpw   1   
        20   "125 UNOE-no close strand-strand interactions"                                                                                                    49   59   49   105   parsed_1lpw   1   
        21   "125 UNOE-no close strand-strand interactions"                                                                                                    51   59   51   105   parsed_1lpw   1   
        22   "125 UNOE-no A23H2-psi5H2' NOE"                                                                                                                   54   58   54    89   parsed_1lpw   1   
        23   "UNOE-no A24H2-C25H5 NOE"                                                                                                                         56   58   56    84   parsed_1lpw   1   
        24   "UNOE-no A24H8-C25H5 NOE"                                                                                                                         58   58   58    84   parsed_1lpw   1   
        25   "UNOE-no A24H2-G5H1 NOE"                                                                                                                          60   58   60    82   parsed_1lpw   1   
    stop_

save_





Please acknowledge these references in publications where the data from this site have been utilized.

Contact the webmaster for help, if required. Tuesday, June 11, 2024 8:12:23 AM GMT (wattos1)