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
54528 3eza 4264 cing 2-parsed STAR distance hydrogen bond ambi 7


data_3eza_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_3eza 
    _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_3eza   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_3eza 
    _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   3eza   "Master copy"    parsed_3eza   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_3eza 
    _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   3eza.mr   .   .   "MR format"     1    comment                  "Not applicable"      "Not applicable"       0   parsed_3eza   1   
        1   3eza.mr   .   .    n/a            2    comment                  "Not applicable"      "Not applicable"       0   parsed_3eza   1   
        1   3eza.mr   .   .    XPLOR/CNS      3    distance                  NOE                   simple             3281   parsed_3eza   1   
        1   3eza.mr   .   .    XPLOR/CNS      4    distance                 "general distance"     simple                2   parsed_3eza   1   
        1   3eza.mr   .   .    XPLOR/CNS      5    distance                 "hydrogen bond"        ambi                  7   parsed_3eza   1   
        1   3eza.mr   .   .    XPLOR/CNS      6    distance                 "hydrogen bond"        simple                0   parsed_3eza   1   
        1   3eza.mr   .   .    n/a            7    comment                  "Not applicable"      "Not applicable"       0   parsed_3eza   1   
        1   3eza.mr   .   .    XPLOR/CNS      8   "dihedral angle"          "Not applicable"      "Not applicable"       0   parsed_3eza   1   
        1   3eza.mr   .   .    XPLOR/CNS      9   "coupling constant"       "Not applicable"      "Not applicable"       0   parsed_3eza   1   
        1   3eza.mr   .   .    n/a           10    comment                  "Not applicable"      "Not applicable"       0   parsed_3eza   1   
        1   3eza.mr   .   .    XPLOR/CNS     11   "chemical shift"          "Not applicable"      "Not applicable"       0   parsed_3eza   1   
        1   3eza.mr   .   .    n/a           12    comment                  "Not applicable"      "Not applicable"       0   parsed_3eza   1   
        1   3eza.mr   .   .    XPLOR/CNS     13   "dipolar coupling"        "Not applicable"      "Not applicable"       0   parsed_3eza   1   
        1   3eza.mr   .   .    n/a           14    comment                  "Not applicable"      "Not applicable"       0   parsed_3eza   1   
        1   3eza.mr   .   .    PIPP          15   "chemical shift"          "Not applicable"      "Not applicable"       0   parsed_3eza   1   
        1   3eza.mr   .   .    n/a           16    comment                  "Not applicable"      "Not applicable"       0   parsed_3eza   1   
        1   3eza.mr   .   .    PIPP          17   "chemical shift"          "Not applicable"      "Not applicable"       0   parsed_3eza   1   
        1   3eza.mr   .   .    n/a           18    comment                  "Not applicable"      "Not applicable"       0   parsed_3eza   1   
        1   3eza.mr   .   .    PIPP          19   "chemical shift"          "Not applicable"      "Not applicable"       0   parsed_3eza   1   
        1   3eza.mr   .   .    n/a           20    comment                  "Not applicable"      "Not applicable"       0   parsed_3eza   1   
        1   3eza.mr   .   .    PIPP          21   "chemical shift"          "Not applicable"      "Not applicable"       0   parsed_3eza   1   
        1   3eza.mr   .   .   "MR format"    22   "nomenclature mapping"    "Not applicable"      "Not applicable"       0   parsed_3eza   1   
    stop_

save_


save_CNS/XPLOR_distance_constraints_5
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_3eza 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type    "hydrogen bond" 
    _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_3eza   1   
        2   1   .   .   .   parsed_3eza   1   
        3   1   .   .   .   parsed_3eza   1   
        4   1   .   .   .   parsed_3eza   1   
        5   1   .   .   .   parsed_3eza   1   
        6   1   .   .   .   parsed_3eza   1   
        7   1   .   .   .   parsed_3eza   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   .   .   .   .   .   .   .   .   .    82   .   od#   parsed_3eza   1   
        1   1   1   .   .   .   .   .   .   .   .   .    83   .   oe#   parsed_3eza   1   
        1   1   2   .   .   .   .   .   .   .   .   .   327   .   nz    parsed_3eza   1   
        2   1   1   .   .   .   .   .   .   .   .   .    82   .   od#   parsed_3eza   1   
        2   1   1   .   .   .   .   .   .   .   .   .    84   .   oe#   parsed_3eza   1   
        2   1   2   .   .   .   .   .   .   .   .   .   346   .   og    parsed_3eza   1   
        3   1   1   .   .   .   .   .   .   .   .   .    84   .   oe#   parsed_3eza   1   
        3   1   2   .   .   .   .   .   .   .   .   .   349   .   nz    parsed_3eza   1   
        4   1   1   .   .   .   .   .   .   .   .   .    74   .   oe#   parsed_3eza   1   
        4   1   2   .   .   .   .   .   .   .   .   .   324   .   nz    parsed_3eza   1   
        5   1   1   .   .   .   .   .   .   .   .   .    67   .   oe#   parsed_3eza   1   
        5   1   1   .   .   .   .   .   .   .   .   .    68   .   oe#   parsed_3eza   1   
        5   1   2   .   .   .   .   .   .   .   .   .   317   .   nh#   parsed_3eza   1   
        6   1   1   .   .   .   .   .   .   .   .   .   126   .   ne    parsed_3eza   1   
        6   1   1   .   .   .   .   .   .   .   .   .   126   .   nh*   parsed_3eza   1   
        6   1   2   .   .   .   .   .   .   .   .   .   351   .   o     parsed_3eza   1   
        6   1   2   .   .   .   .   .   .   .   .   .   353   .   o     parsed_3eza   1   
        7   1   1   .   .   .   .   .   .   .   .   .    83   .   oe#   parsed_3eza   1   
        7   1   1   .   .   .   .   .   .   .   .   .    84   .   oe#   parsed_3eza   1   
        7   1   2   .   .   .   .   .   .   .   .   .   345   .   nz    parsed_3eza   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   .   .   .   .   .   3.0   0.8   5.0   parsed_3eza   1   
        2   1   .   .   .   .   .   3.0   0.8   5.0   parsed_3eza   1   
        3   1   .   .   .   .   .   3.0   0.8   4.5   parsed_3eza   1   
        4   1   .   .   .   .   .   3.0   0.8   4.5   parsed_3eza   1   
        5   1   .   .   .   .   .   3.0   1.8   4.5   parsed_3eza   1   
        6   1   .   .   .   .   .   3.0   0.8   4.5   parsed_3eza   1   
        7   1   .   .   .   .   .   3.0   0.8   5.0   parsed_3eza   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   "H-bond/salt bridges"    1   1   1   21   parsed_3eza   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. Friday, November 16, 2018 11:23:05 PM CST (wattos1)