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
2594 1c5a 421 cing 1-original MR format comment 

*HEADER   R1C5AMR   12-JUN-90
*COMPND   DES-ARG==74==-COMPLEMENT C5A
*SOURCE   PIG (SUS $SCROFA $DOMESTICA)
*EXPDTA   NMR
*AUTHOR   M.P.WILLIAMSON,V.S.MADISON
*COORDS   1C5A
*REMARK                                                                         
*REMARK    HYDROGEN ATOMS IN THIS ENTRY HAVE BEEN ASSIGNED NAMES                
*REMARK    CONSISTENT WITH THE RECOMMENDATIONS OF THE IUPAC-IUB                 
*REMARK    COMMISSION ON BIOCHEMICAL NOMENCLATURE (SEE,E.G., J.MOL.             
*REMARK    BIOL. 52, 1 (1970)).  THE PROTEIN DATA BANK HAS FOLLOWED             
*REMARK    RULE 4.4 OF THE RECOMMENDATIONS WITH THE FOLLOWING                   
*REMARK    MODIFICATION - WHEN MORE THAN ONE HYDROGEN ATOM IS BONDED            
*REMARK    TO A SINGLE NON-HYDROGEN ATOM, THE HYDROGEN ATOM NUMBER              
*REMARK    DESIGNATION IS GIVEN AS THE FIRST CHARACTER OF THE ATOM              
*REMARK    NAME RATHER THAN AS THE LAST CHARACTER (E.G. H*BETA*1 IS             
*REMARK    DENOTED AS 1HB).  
*REMARK
*REMARK    THE FOLLOWING IS A LIST OF HYDROGEN ATOMS WHICH HAVE BEEN
*REMARK    RENAMED TO FOLLOW THE RULES GIVEN ABOVE.
*REMARK                    ATOM SERIAL             OLD    NEW
*REMARK                    NUMBER IN               ATOM   ATOM
*REMARK                    ORIGINAL                NAME   NAME
*REMARK                    DATA                                                 
*REMARK    
CONSTRAINTS ARE GIVEN IN A FORMAT SUITABLE FOR CHARMM. FOR DISTANCE 
CONSTRAINTS, THEY ARE GIVEN AS ATOM 1, ATOM 2, TARGET DISTANCE, LOWER
BOUND ERROR, UPPER BOUND ERROR. FOR LEU 18, THE TWO DELTA METHYLS ARE
DISTINGUISHED AS U AND D (UPFIELD AND DOWNFIELD) AND CHARMM SELECTED THE
STEREOSPECIFIC ASSIGNMENT THAT BEST FITTED THE DATA. FOR VAL 48, THE TWO 
GAMMA METHYLS WERE STEREOSPECIFICALLY ASSIGNED BY INSPECTION AND GIVEN AS
STEREOSPECIFIC ASSIGNMENTS IN THE CONSTRAINTS LIST. NON-UNIQUE ATOMS ARE
GIVEN AS HB*, HD* ETC. IF THEY ARE PART OF A DIASTEREOTOPIC PAIR (INCLUDING
PHE AND TYR AROMATICS), AND HB%, HG2%, ETC. IF THEY ARE METHYL PROTONS.
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