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
32965 1hiq 1344 cing 2-parsed STAR comment 

data_1hiq_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1hiq 
    _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_1hiq   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1hiq 
    _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   1hiq   "Master copy"    parsed_1hiq   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1hiq 
    _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   1hiq.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"    0   parsed_1hiq   1   
        1   1hiq.mr   .   .    DYANA/DIANA   2    distance                  NOE                 simple             0   parsed_1hiq   1   
        1   1hiq.mr   .   .   "MR format"    3   "nomenclature mapping"    "Not applicable"    "Not applicable"    0   parsed_1hiq   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_1hiq 
    _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   HORMONE                                 05-MAR-93   1HIQ    
*COMPND   INSULIN (HUMAN) MUTANT WITH PHE B 24 REPLACED BY SER (F24S) 
*COMPND  2 (NMR, REPRESENTATIVE PLUS 9 STRUCTURES)                    
*SOURCE   HUMAN (HOMO SAPIENS) PANCREAS                               
*AUTHOR   Q.X.HUA,S.E.SHOELSON,K.INOUYE,M.A.WEISS                     
*REVDAT  1   31-JAN-94 1HIQ    0                                      

REMARK   PARAMETER FILE FOR ALL EXPLICIT HYDROGENS BASED ON CFF PARAMETERS
REMARK   IN BRUCE GELIN'S THESIS (PARMFIX7 VALUES HAVE TRAILING 0'S)
REMARK   BOND ANGLE PARAMETERS INCLUDE THE HARMONIC CONTRIBUTION FROM
REMARK   Urey-Bradley F TERM ( (R13-R0)\2 )
REMARK   DIHEDRALS INCLUDE MULTIPLICITY FROM CFF
REMARK   MODIFIED TO INCLUDE HA AND CT
REMARK   HIS AND TRYP INCLUDED 4/13/80 DJS
REMARK   hbond parameters as in PARAM7 ( ATB, 3-APR-85 )
REMARK   modified: increased force constant on cis/trans peptide
REMARK   dihedrals
REMARK   increased improper force constants
REMARK DATE:12-Aug-92  09:43:42       created by user: hua

#SER-B24 HI(J) NOE constraints 200 ms mixing time
#Cutoffs for strong, medium and weak seqential's
#are 2.7, 3.4 and 4.3 A.
#Corrections for metyl, methylene and phenyl
#groups are 1.0, 1.7 and 2.1 A.
        
;

save_

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