NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)
image mrblock_id pdb_id cing stage program type
30950 1dmd cing 2-parsed STAR comment 

data_1dmd_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1dmd 
    _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_1dmd   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1dmd 
    _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   1dmd   "Master copy"    parsed_1dmd   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1dmd 
    _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   1dmd.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"    0   parsed_1dmd   1   
        1   1dmd.mr   .   .    n/a           2    comment                  "Not applicable"    "Not applicable"    0   parsed_1dmd   1   
        1   1dmd.mr   .   .    XPLOR/CNS     3   "dihedral angle"          "Not applicable"    "Not applicable"    0   parsed_1dmd   1   
        1   1dmd.mr   .   .    n/a           4    comment                  "Not applicable"    "Not applicable"    0   parsed_1dmd   1   
        1   1dmd.mr   .   .    XPLOR/CNS     5    distance                  NOE                 simple             0   parsed_1dmd   1   
        1   1dmd.mr   .   .   "MR format"    6   "nomenclature mapping"    "Not applicable"    "Not applicable"    0   parsed_1dmd   1   
    stop_

save_


save_MR_file_comment_1
    _Org_constr_file_comment.Sf_category         org_constr_file_comment 
    _Org_constr_file_comment.Entry_ID            parsed_1dmd 
    _Org_constr_file_comment.ID                  1 
    _Org_constr_file_comment.Constraint_file_ID  1 
    _Org_constr_file_comment.Block_ID            1 
    _Org_constr_file_comment.Details            "Generated by Wattos" 
    _Org_constr_file_comment.Comment            
;
*HEADER   METALLOTHIONEIN                         22-NOV-94   1DMD    
*COMPND   CD-6 METALLOTHIONEIN-1 (CD-6 MT) (ALPHA DOMAIN)             
*COMPND  2 (NMR, 18 STRUCTURES)                                       
*SOURCE   CRAB (CALLINECTES SAPIDUS)                                  
*AUTHOR   S.S.NARULA,M.BROUWER,Y.HUA,I.M.ARMITAGE                     
*REVDAT  1   07-FEB-95 1DMD    0                                      

!ct_dihe.tbl, numbered 1,2, 3 etc.

!Dihedral angle of Lys 38 and Ala 40 is changed from -120+-40 to -20+-140 
!to consider type I and II turn, July 15
!Dihedral angles for C-terminal cluster, Feb 18, 1993
!The force constant is 2 
!The range of the side chain angles is +-30 
!The Values are based on the following arguments:
!
! for J> 9.0 Hz, phi= -120+-30;
!
! for J between 9.0 and 8.0 Hz, phi= -120+-40;
!
! for J between 8.0 and 5.0 Hz, phi= -105+-55;
!
! for J less than 5 Hz, phi= -60+-30
!
! For all Gly and Pro, phi= -105+-55; (Maximum Range).
!
;

save_

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

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