NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)
image mrblock_id pdb_id cing in_recoord stage program type
34673 1k8h cing recoord 2-parsed STAR comment 

data_1k8h_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1k8h 
    _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_1k8h   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1k8h 
    _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   1k8h   "Master copy"    parsed_1k8h   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1k8h 
    _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   1k8h.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"    0   parsed_1k8h   1   
        1   1k8h.mr   .   .    n/a           2    comment                  "Not applicable"    "Not applicable"    0   parsed_1k8h   1   
        1   1k8h.mr   .   .    XPLOR/CNS     3    distance                  NOE                 simple             0   parsed_1k8h   1   
        1   1k8h.mr   .   .    XPLOR/CNS     4    distance                 "hydrogen bond"      simple             0   parsed_1k8h   1   
        1   1k8h.mr   .   .    XPLOR/CNS     5   "dihedral angle"          "Not applicable"    "Not applicable"    0   parsed_1k8h   1   
        1   1k8h.mr   .   .   "MR format"    6   "nomenclature mapping"    "Not applicable"    "Not applicable"    0   parsed_1k8h   1   
    stop_

save_


save_MR_file_comment_2
    _Org_constr_file_comment.Sf_category         org_constr_file_comment 
    _Org_constr_file_comment.Entry_ID            parsed_1k8h 
    _Org_constr_file_comment.ID                  1 
    _Org_constr_file_comment.Constraint_file_ID  1 
    _Org_constr_file_comment.Block_ID            2 
    _Org_constr_file_comment.Details            "Generated by Wattos" 
    _Org_constr_file_comment.Comment            
;
{ Distances were derived from NOE cross peaks as follows:

  Whenever possble, NOE cross peak intensities are estimated
  using NOE spectra collected with 60 msec mixing time. Look
  the 60 msec mixing time NOE spectra first.

  From 60 msec mixing time spectra:

  strong peak  :  d < 3.2 A  {1}
  medium peak  :  d < 3.6 A  {2}
  weak peak    :  d < 4.2 A  {3}
  v. weak peak :  d < 4.5 A  {4}


  From 3-D C13 NOE spectrum and 3-D N15 NOE spectrum:

  strong peak  :  d < 5.5 A  {5}
  medium peak  :  d < 5.5 A  {6}
  weak peak    :  d < 7.0 A  {7}
  v. weak peak :  d < 7.0 A  {8}

  For peaks observed in the homonuclear NOE spectra collected 
  with longer mixing time, but not observed in the short mixing
  time NOE spectra:

  any peak     :  d < 7.0 A  {9}



************ Begin NOE list here **********  }

;

save_

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

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