File: nameConversions.map

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## This table is taken from the BMRB (Biological Magnetic Resonance Data Bank).
## We introduced the symbol '$' to denote empty entries.
## Also, we duplicated the column BMRB into NMRStar for convenience.
##
## Original file starts here:
#
# Correlation of hydrogen atom naming systems, including diastereotopic
# protons. The original version of this table was created by Charles 
# Hoogstraten.
#	 
#
# BMRB  = System in use at BioMagResBank (IUPAC/IUB Biochemistry 9, 3471-3479
#	  [1970]).
#
# SC    = Stereochemical designations 
#
# UCSF  = Mardigras-type software (peptide protonated with newhyd utility).
#
# XPLOR = Peptide protonated with XPLOR 3.1.  Atom nomenclature is derived
#	  from the X-PLOR topology file topallhdg.pro.  
#
# MSI   = Artificial peptide created with InsightII.  For the side chain
#	  protons attached to nitrogen in ASN, GLN, and ARG, the atom
#	  nomenclature does not reflect the potential stereoisomerism of the
#	  planar amide and guanidinium groups.  The correlation with Z and E
#	  nomenclature listed here simply reflects the state of the artificial
#	  peptide generated as an example.  The CG1 and CG2 atoms for VAL in a
#	  peptide generated by InsightII are not labeled according to IUPAC
#	  rules, while the CD1 and CD2 atoms for LEU are.
#
# PDB   = PDB nomenclature (Taken from PDB entry 6I1B REVDAT 15-OCT-92.)
#
# SYBYL = The atom nomenclature was taken from the xxx.res files supplied with
#	  the software package Sybyl version 6.2 from Tripos, Inc.  
#
# MIDAS = MidasPlus from the Computer Graphics Laboratory at UCSF.  The atom 
#	  nomenclature has been taken from the XXX.ins files supplied with the
#	  software.  The prochiral atoms have not been correlated with the
#	  BMRB assignments at this time.  Hydrogens are not included in the
#	  XXX.ins template files.
#
# 
# Note-1: The prochiral methyl group names may reflect convention of code
#	  generating heavy atom names if protons are added later.
#
# Note-2: '*' The stereochemical assignments for the named atoms have not been
#	  determined for these software systems.
#
# Note-3: The Z and E nomenclature is defined in the paper by Blackwood, J.E.,
#	  Gladys, C.L., Loening, K.L., Petrarca, A.E., and Rush, J.E., 
#	  "Unambiguous Specification of Stereoisomerism about a Double Bond,"
#	  J. Amer. Chem. Soc. 90, 509-510 (1968).
#
# Note-3: For the terminal amine and carboxyl atoms, 'X' has been used as a
#	  dummy value for the amino acid type.
#
# Note-4: The terminal secondary amine protons for PRO have been included
#	  with the other PRO atoms.
#
#
####################################################################
#
# A.A.		BMRB  SC		PDB		UCSF	MSI		XPLOR	SYBYL*	MIDAS*	DIANA
# ----		----	----	----	----	----	-----	------	------	-----
#
# Residue atoms
#

A.A.	BMRB	SC 	PDB	UCSF	MSI	XPLOR	SYBYL	MIDAS	DIANA NMRSTAR

A		H			$			H			HN		HN		HN		H			$			HN		H			
A		HA 		$			HA		HA		HA		HA		HA		$			HA    HA 		
A		HB1		$			1HB		HB1		HB1		HB1		HB1		$			HB1   HB1		
A		HB2		$			2HB		HB2		HB2		HB2		HB2		$			HB2   HB2		
A		HB3		$			3HB		HB3		HB3		HB3		HB3		$			HB3   HB3		
A		C			$			C			$			C			C			C			C			C     C			
A		CA		$			CA		$			CA		CA		CA		CA		CA    CA		
A		CB		$			CB		$			CB		CB		CB		CB		CB    CB		
A		N			$			N			$			N			N			N			N			N     N			
A		O			$			O			$			O			O			O			O			O     O			
R		H			$			H			HN		HN		HN		H			$			HN    H			
R		HA		$			HA		HA		HA		HA		HA		$			HA    HA		
R		HB2		pro-R	1HB		HB1		HB1		HB2		HB2		$			HB2   HB2		
R		HB3		pro-S	2HB		HB2		HB2		HB1		HB1		$			HB3   HB3		
R		HG2		pro-S	1HG		HG1		HG1		HG2		HG2		$			HG2   HG2		
R		HG3		pro-R	2HG		HG2		HG2		HG1		HG1		$			HG3   HG3		
R		HD2		pro-S	1HD		HD1		HD1		HD2		HD2		$			HD2   HD2		
R		HD3		pro-R	2HD		HD2		HD2		HD1		HD1		$			HD3   HD3		
R		HE		$			HE		HNE		HE		HE		HE		$			HE    HE		
R		HH11 	Z			1HH1	HN11	HH11	HH11	HH11	$			HH11  HH11 	
R		HH12 	E			2HH1	HN12	HH12	HH12	HH12	$			HH12  HH12 	
R		HH21 	Z			1HH2	HN21	HH22	HH21	HH21	$			HH21  HH21 	
R		HH22 	E			2HH2	HN22	HH21	HH22	HH22	$			HH22  HH22 	
R		C			$			C			$			C			C			C			C			C     C			
R		CA		&			CA		$			CA		CA		CA		CA		CA    CA		
R		CB		&			CB		$			CB		CB		CB		CB		CB    CB		
R		CG		&			CG		$			CG		CG		CG		CG		CG    CG		
R		CD		&			CD		$			CD		CD		CD		CD		CD    CD		
R		CZ		&			CZ		$			CZ		CZ		CZ		CZ		CZ    CZ		
R		N			&			N			$			N			N			N			N			N     N			
R		NE		&			NE		$			NE		NE		NE		NE		NE    NE		
R		NH1		Z			NH1		$			NH1		NH1		NH1		NH1		NH1   NH1		
R		NH2		E			NH2		$			NH2		NH2		NH2		NH2		NH2   NH2		
R		O			$			O			$			O			O			O			O			O     O			
D		H			$			H			HN		HN		HN		H			$			HN    H			
D		HA		$			HA		HA		HA		HA		HA		$			HA    HA		
D		HB2		pro-S	1HB		HB1		HB1		HB2		HB2		$			HB2   HB2		
D		HB3		pro-R	2HB		HB2		HB2		HB1		HB1		$			HB3   HB3		
D		HD2		$			$			$			HD2 	$	 		$			$			HD2   HD2		
D		C			$			C			$			C			C			C			C			C     C			
D		CA		$			CA		$			CA		CA		CA		CA		CA    CA		
D		CB		$			CB		$			CB		CB		CB		CB		CB    CB		
D		CG		$			CG		$			CG		CG		CG		CG		CG    CG		
D		N			$			N			$			N			N			N			N			N     N			
D		O			$			O			$			O			O			O			O			O     O			
D		OD1		$			OD1		$			OD1		OD1		OD1		OD1		OD1   OD1		
D		OD2		$			OD2		$			OD2		OD2		OD2		OD2		OD2   OD2		
N		H			$			H			HN		HN		HN		H			$			HN    H			
N		HA		$			HA		HA		HA		HA		HA		$			HA    HA		
N		HB2		pro-S	1HB		HB1		HB1		HB2		HB2		$			HB2   HB2		
N		HB3		pro-R	2HB		HB2		HB2		HB1		HB1		$			HB3   HB3		
N		HD21	E			1HD2	HN21	HD21	HD21	HD21	$			HD21  HD21	
N		HD22	Z			2HD2	HN22	HD22	HD22	HD22	$			HD22  HD22	
N		C			$			C			$			C			C			C			C			C     C			
N		CA		$			CA		$			CA		CA		CA		CA		CA    CA		
N		CB		$			CB		$			CB		CB		CB		CB		CB    CB		
N		CG		$			CG		$			CG		CG		CG		CG		CG    CG		
N		N			$			N			$			N			N			N			N			N     N			
N		ND2		$			ND2		$			ND2		ND2		ND2		ND2		ND2   ND2		
N		O			$			O			$			O			O			O			O			O     O			
N		OD1		$			OD1		$			OD1		OD1		OD1		OD1		OD1   OD1		
C		H			$			H			HN		HN		HN		H			$			HN    H			
C		HA		$			HA		HA		HA		HA		HA		$			HA    HA		
C		HB2		pro-S	1HB		HB1		HB1		HB2		HB2		$			HB2   HB2		
C		HB3		pro-R	2HB		HB2		HB2		HB1		HB1		$			HB3   HB3		
C		HG		$			HG		HSG		HG		HG		HG		$			HG    HG		
C		C			$			C			$			C			C			C			C			C     C			
C		CA		$			CA		$			CA		CA		CA		CA		CA    CA		
C		CB		$			CB		$			CB		CB		CB		CB		CB    CB		
C		N			$			N			$			N			N			N			N			N     N			
C		O			$			O			$			O			O			O			O			O     O			
C		SG		$			SG		$			SG		SG		SG		SG		SG    SG		
E		H			$			H			HN		HN		HN		H			$			HN    H			
E		HA		$			HA		HA		HA		HA		HA		$			HA    HA		
E		HB2		pro-R	1HB		HB1		HB1		HB2		HB2		$			HB2   HB2		
E		HB3		pro-S	2HB		HB2		HB2		HB1		HB1		$			HB3   HB3		
E		HG2		pro-S	1HG		HG1		HG1		HG2		HG2		$			HG2   HG2		
E		HG3		pro-R	2HG		HG2		HG2		HG1		HG1		$			HG3   HG3		
E		HE2		$			$			$			HE2 	$ 		$			$ 		HE2   HE2		
E		C			$			C			$			C			C			C			C			C     C			
E		CA		$			CA		$			CA		CA		CA		CA		CA    CA		
E		CB		$			CB		$			CB		CB		CB		CB		CB    CB		
E		CG		$			CG		$			CG		CG		CG		CG		CG    CG		
E		CD		$			CD		$			CD		CD		CD		CD		CD    CD		
E		N			$			N			$			N			N			N			N			N     N			
E		O			$			O			$			O			O			O			O			O     O			
E		OE1		$			OE1		$			OE1		OE1		OE1		OE1		OE1   OE1		
E		OE2		$			OE2		$			OE2		OE2		OE2		OE2		OE2   OE2		
Q		H			$			H			HN		HN		HN		H			$			HN    H			
Q		HA		$			HA		HA		HA		HA		HA		$			HA    HA		
Q		HB2		pro-R	1HB		HB1		HB1		HB2		HB2		$			HB2   HB2		
Q		HB3		pro-S	2HB		HB2		HB2		HB1		HB1		$			HB3   HB3		
Q		HG2		pro-S	1HG		HG1		HG1		HG2		HG2		$			HG2   HG2		
Q		HG3		pro-R	2HG		HG2		HG2		HG1		HG1		$			HG3   HG3		
Q		HE21	E			1HE2	HN21	HE21	HE21	HE21	$			HE21  HE21	
Q		HE22	Z			2HE2	HN22	HE22	HE22	HE22	$			HE22  HE22	
Q		C			$			C			$			C			C			C			C			C     C			
Q		CA		$			CA		$			CA		CA		CA		CA		CA    CA		
Q		CB		$			CB		$			CB		CB		CB		CB		CB    CB		
Q		CG		$			CG		$			CG		CG		CG		CG		CG    CG		
Q		CD		$			CD		$			CD		CD		CD		CD		CD    CD		
Q		N			$			N			N			N			N			N			N			N     N			
Q		NE2		$			NE2		$			NE2		NE2		NE2		NE2		NE2   NE2		
Q		O			$			O			$			O			O			O			O			O     O			
Q		OE1		$			OE1		$			OE1		OE1		OE1		OE1		OE1   OE1		
G		H			$			H			HN		HN		HN		H			$			HN    H			
G		HA2		pro-R	1HA		HA1		HA1		HA2		HA2		$			HA1   HA2		
G		HA3		pro-S	2HA		HA2		HA2		HA1		HA1		$			HA2   HA3		
G		C			$			C			$			C			C			C			C			C     C			
G		CA		$			CA		$			CA		CA		CA		CA		CA    CA		
G		N			$			N			$			N			N			N			N			N     N			
G		O			$			O			$			O			O			O			O			O     O			
H		H			$			H			HN		HN		HN		H			$			HN    H			
H		HA		$			HA		HA		HA		HA		HA		$			HA    HA		
H		HB2		pro-S	1HB		HB1		HB1		HB2		HB2		$			HB2   HB2		
H		HB3		pro-R	2HB		HB2		HB2		HB1		HB1		$			HB3   HB3		
H		HD1		$			HD1		HND1	HD1		HD1		HD1		$			HD1   HD1		
H		HD2		$			HD2		HD2		HD2		HD2		HD2		$			HD2   HD2		
H		HE1		$			HE1		HE1		HE1		HE1		HE1		$			HE1   HE1		
H		HE2		$			HNE2	HE2		$			$			$			$			HE2   HE2		
H		C			$			C			$			C			C			C			C			C     C			
H		CA		$			CA		$			CA		CA		CA		CA		CA    CA		
H		CB		$			CB		$			CB		CB		CB		CB		CB    CB		
H		CG		$			CG		$			CG		CG		CG		CG		CG    CG		
H		CD2		$			CD2		$			CD2		CD2		CD2		CD2		CD2   CD2		
H		CE1		$			CE1		$			CE1		CE1		CE1		CE1		CE1   CE1		
H		N			$			N			$			N			N			N			N			N     N			
H		ND1		$			ND1		$			ND1		ND1		ND1		ND1		ND1   ND1		
H		NE2		$			NE2		$			NE2		NE2		NE2		NE2		NE2   NE2		
H		O			$			O			$			O			O			O			O			O     O			
I		H			$			H			HN		HN		HN		H			$			HN    H			
I		HA		$			HA		HA		HA		HA		HA		$			HA    HA		
I		HB		$			HB		HB		HB		HB		HB		$			HB    HB		
I		HG12	pro-R	1HG1	HG11	HG11	HG12	HG12	$			HG12  HG12	
I		HG13	pro-S	2HG1	HG12	HG12	HG11	HG11	$			HG13  HG13	
I		HG21	$			1HG2	HG21	HG21	HG21	HG21	$			HG21  HG21	
I		HG22	$			2HG2	HG22	HG22	HG22	HG22	$			HG22  HG22	
I		HG23	$			3HG2	HG23	HG23	HG23	HG23	$			HG23  HG23	
I		HD11	$			1HD1	HD11	HD11	HD11	HD11	$			HD11  HD11	
I		HD12	$			2HD1	HD12	HD12	HD12	HD12	$			HD12  HD12	
I		HD13	$			3HD1	HD13	HD13	HD13	HD13	$			HD13  HD13	
I		C			$			C			$			C			C			C			C			C     C			
I		CA		$			CA		$			CA		CA		CA		CA		CA    CA		
I		CB		$			CB		$			CB		CB		CB		CB		CB    CB		
I		CG1		$			CG1		$			CG1		CG1		CG1		CG1		CG1   CG1		
I		CG2		$			CG2		$			CG2		CG2		CG2		CG2		CG2   CG2		
I		CD1		$			CD1		$			CD1		CD1		CD1		CD1		CD1   CD1		
I		N			$			N			$			N			N			N			N			N     N			
I		O			$			O			$			O			O			O			O			O     O			
L		H			$			H			HN		HN		HN		H			$			HN    H			
L		HA		$			HA		HA		HA		HA		HA		$			HA    HA		
L		HB2		pro-R	1HB		HB1		HB1		HB2		HB2		$			HB2   HB2		
L		HB3		pro-S	2HB		HB2		HB2		HB1		HB1		$			HB3   HB3		
L		HG		$			HG		HG		HG		HG		HG		$			HG    HG		
L		HD11	$			1HD1	HD11	HD11	HD11	HD11	$			HD11  HD11	
L		HD12	$			2HD1	HD12	HD12	HD12	HD12	$			HD12  HD12	
L		HD13	$			3HD1	HD13	HD13	HD13	HD13	$			HD13  HD13	
L		HD21	$			1HD2	HD21	HD21	HD21	HD21	$			HD21  HD21	
L		HD22	$			2HD2	HD22	HD22	HD22	HD22	$			HD22  HD22	
L		HD23	$			3HD2	HD23	HD23	HD23	HD23	$			HD23  HD23	
L		C			$			C			$			C			C			C			C			C     C			
L		CA		$			CA		$			CA		CA		CA		CA		CA    CA		
L		CB		$			CB		$			CB		CB		CB		CB		CB    CB		
L		CG		$			CG		$			CG		CG		CG		CG		CG    CG		
L		CD1		pro-R	CD1		$			CD1		CD1		CD1		CD1		CD1   CD1		
L		CD2		pro-S	CD2		$			CD2		CD2		CD2		CD2		CD2   CD2		
L		N			$			N			$			N			N			N			N			N     N			
L		O			$			O			$			O			O			O			O			O     O			
K		H			$			H			$			HN		HN		HN		H			HN    H			
K		HA		$			HA		HA		HA		HA		HA		$			HA    HA		
K		HB2		pro-R	1HB		HB1		HB1		HB2		HB2		$			HB2   HB2		
K		HB3		pro-S	2HB		HB2		HB2		HB1		HB1		$			HB3   HB3		
K		HG2		pro-R	1HG		HG1		HG1		HG2		HG2		$			HG2   HG2		
K		HG3		pro-S	2HG		HG2		HG2		HG1		HG1		$			HG3   HG3		
K		HD2		pro-S	1HD		HD1		HD1		HD2		HD2		$			HD2   HD2		
K		HD3		pro-R	2HD		HD2		HD2		HD1		HD1		$			HD3   HD3		
K		HE2		pro-S	1HE		HE1		HE1		HE2		HE2		$			HE2   HE2		
K		HE3		pro-R	2HE		HE2		HE2		HE1		HE1		$			HE3   HE3		
K		HZ1		$			1HZ		HNZ1	HZ1		HZ1		HZ1		$			HZ1   HZ1		
K		HZ2		$			2HZ		HNZ2	HZ2		HZ2		HZ2		$			HZ2   HZ2		
K		HZ3		$			3HZ		HNZ3	HZ3		HZ3		HZ3		$			HZ3   HZ3		
K		C			$			C			$			C			C			C			C			C     C			
K		CA		$			CA		$			CA		CA		CA		CA		CA    CA		
K		CB		$			CB		$			CB		CB		CB		CB		CB    CB		
K		CG		$			CG		$			CG		CG		CG		CG		CG    CG		
K		CD		$			CD		$			CD		CD		CD		CD		CD    CD		
K		CE		$			CE		$			CE		CE		CE		CE		CE    CE		
K		N			$			N			$			N			N			N			N			N     N			
K		NZ		$			NZ		$			NZ		NZ		NZ		NZ		NZ    NZ		
K		O			$			O			$			O			O			O			O			O     O			
M		H			$			H			HN		HN		HN		H			$			HN    H			
M		HA		$			HA		HA		HA		HA		HA		$			HA    HA		
M		HB2		pro-S	1HB		HB1		HB1		HB2		HB2		$			HB2   HB2		
M		HB3		pro-R	2HB		HB2		HB2		HB1		HB1		$			HB3   HB3		
M		HG2		pro-S	1HG		HG1		HG1		HG2		HG2		$			HG2   HG2		
M		HG3		pro-R	2HG		HG2		HG2		HG1		HG1		$			HG3   HG3		
M		HE1		$			1HE		HE1		HE1		HE1		HE1		$			HE1   HE1		
M		HE2		$			2HE		HE2		HE2		HE2		HE2		$			HE2   HE2		
M		HE3		$			3HE		HE3		HE3		HE3		HE3		$			HE3   HE3		
M		C			$			C			$			C			C			C			C			C     C			
M		CA		$			CA		$			CA		CA		CA		CA		CA    CA		
M		CB		$			CB		$			CB		CB		CB		CB		CB    CB		
M		CG		$			CG		$			CG		CG		CG		CG		CG    CG		
M		CE		$			CE		$			CE		CE		CE		CE		CE    CE		
M		N			$			N			$			N			N			N			N			N     N			
M		O			$			O			$			O			O			O			O			O     O			
M		SD		$			SD		$			SD		SD		SD		SD		SD    SD		
F		H			$			H			$			HN		HN		HN		H			HN    H			
F		HA		$			HA		HA		HA		HA		HA		$			HA    HA		
F		HB2		pro-R	1HB		HB1		HB1		HB2		HB2		$			HB2   HB2		
F		HB3		pro-S	2HB		HB2		HB2		HB1		HB1		$			HB3   HB3		
F		HD1		$			HD1		HD1		HD1		HD1		HD1		$			HD1   HD1		
F		HD2		$			HD2		HD2		HD2		HD2		HD2		$			HD2   HD2		
F		HE1		$			HE1		HE1		HE1		HE1		HE1		$			HE1   HE1		
F		HE2		$			HE2		HE2		HE2		HE2		HE2		$			HE2   HE2		
F		HZ		$			HZ		HZ		HZ		HZ		HZ		$			HZ    HZ		
F		C			$			C			$			C			C			C			C			C     C			
F		CA		$			CA		$			CA		CA		CA		CA		CA    CA		
F		CB		$			CB		$			CB		CB		CB		CB		CB    CB		
F		CG		$			CG		$			CG		CG		CG		CG		CG    CG		
F		CD1		$			CD1		$			CD1		CD1		CD1		CD1		CD1   CD1		
F		CD2		$			CD2		$			CD2		CD2		CD2		CD2		CD2   CD2		
F		CE1		$			CE1		$			CE1		CE1		CE1		CE1		CE1   CE1		
F		CE2		$			CE2		$			CE2		CE2		CE2		CE2		CE2   CE2		
F		CZ		$			CZ		$			CZ		CZ		CZ		CZ		CZ    CZ		
F		N			$			N			$			N			N			N			N			N     N			
F		O			$			O			$			O			O			O			O			O     O			
P		H2		pro-R	H2		$			HN2		HT2		$			$ 		$     H2		
P		H3		pro-S	H1		$			HN1		HT1		$			$			$     H3		
P		HA		$			HA		HA		HA		HA		HA		$			HA    HA		
P		HB2		pro-R	1HB		HB1		HB1		HB2		HB2		$			HB2   HB2		
P		HB3		pro-S	2HB		HB2		HB2		HB1		HB1		$			HB3   HB3		
P		HG2		pro-S	1HG		HG1		HG1		HG2		HG2		$			HG2   HG2		
P		HG3		pro-R	2HG		HG2		HG2		HG1		HG1		$			HG3   HG3		
P		HD2		pro-S	1HD		HD2		HD1		HD2		HD2		$			HD2   HD2		
P		HD3		pro-R	2HD		HD1		HD2		HD1		HD1		$			HD3   HD3		
P		C			$	    C			$			C			C			C			C			C     C			
P		CA		$			CA		$			CA		CA		CA		CA		CA    CA		
P		CB		$			CB		$			CB		CB		CB		CB		CB    CB		
P		CG		$			CG		$			CG		CG		CG		CG		CG    CG		
P		CD		$			CD		$			CD		CD		CD		CD		CD    CD		
P		N			$			N			$			N			N			N			N			N     N			
P		O			$			O			$			O			O			O			O			O     O			
S		H			$			H			HN		HN		HN		H			$			HN    H			
S		HA		$			HA		HA		HA		HA		HA		$			HA    HA		
S		HB2		pro-S	1HB		HB1		HB1		HB2		HB2 	$			HB2   HB2		
S		HB3		pro-R	2HB		HB2		HB2		HB1		HB1		$			HB3   HB3		
S		HG		$			HG		HOG		HG		HG		HG		$			HG    HG		
S		C			$			C			$			C			C			C			C			C     C			
S		CA		$			CA		$			CA		CA		CA		CA		CA    CA		
S		CB		$			CB		$			CB		CB		CB		CB		CB    CB		
S		N			$			N			$			N			N			N			N			N     N			
S		O			$			O			$			O			O			O			O			O     O			
S		OG		$			OG		$			OG		OG		OG		OG		OG    OG		
T		H			$			H			HN		HN		HN		H			$			HN    H			
T		HA		$			HA		HA		HA		HA		HA		$			HA    HA		
T		HB		$			HB		HB		HB		HB		HB		$			HB    HB		
T		HG1		$			HG1		HOG1	HG1		HG1		HG1		$			HG1   HG1		
T		HG21	$			1HG2	HG21	HG21	HG21	HG21	$			HG21  HG21	
T		HG22	$			2HG2	HG22	HG22	HG22	HG22	$			HG22  HG22	
T		HG23	$			3HG2	HG23	HG23	HG23	HG23	$			HG23  HG23	
T		C			$			C			$			C			C			C			C			C     C			
T		CA		$			CA		$			CA		CA		CA		CA		CA    CA		
T		CB		$			CB		$			CB		CB		CB		CB		CB    CB		
T		CG2		$			CG2		$			CG2		CG2		CG2		CG2		CG2   CG2		
T		N			$			N			$			N			N			N			N			N     N			
T		O			$			O			$			O			O			O			O			O     O			
T		OG1		$			OG1		$			OG1		OG1		OG1		OG1		OG1   OG1		
W		H			$			H			HN		HN		HN		H			$			HN    H			
W		HA		$			HA		HA		HA		HA		HA		$			HA    HA		
W		HB2		pro-R	1HB		HB1		HB1		HB2		HB2		$			HB2   HB2		
W		HB3		pro-S	2HB		HB2		HB2		HB1		HB1		$			HB3   HB3		
W		HD1		$			HD1		HD1		HD1		HD1		HD1		$			HD1   HD1		
W		HE1		$			HE1		HNE1	HE1		HE1		HE1		$			HE1   HE1		
W		HE3		$			HE3		HE3		HE3		HE3		HE3		$			HE3   HE3		
W		HZ2		$			HZ2		HZ2		HZ2		HZ2		HZ2		$			HZ2   HZ2		
W		HZ3		$			HZ3		HZ3		HZ3		HZ3		HZ3		$			HZ3   HZ3		
W		HH2		$			HH2		HH2		HH2		HH2		HH2		$			HH2   HH2		
W		C			$			C			$			C			C			C			C			C     C			
W		CA		$			CA		$			CA		CA		CA		CA		CA    CA		
W		CB		$			CB		$			CB		CB		CB		CB		CB    CB		
W		CG		$			CG		$			CG		CG		CG		CG		CG    CG		
W		CD1		$			CD1		$			CD1		CD1		CD1		CD1		CD1   CD1		
W		CD2		$			CD2		$			CD2		CD2		CD2		CD2		CD2   CD2		
W		CE2		$			CE2		$			CE2		CE2		CE2		CE2		CE2   CE2		
W		CE3		$			CE3		$			CE3		CE3		CE3		CE3		CE3   CE3		
W		CZ2		$			CZ2		$			CZ2		CZ2		CZ2		CZ2		CZ2   CZ2		
W		CZ3		$			CZ3		$			CZ3		CZ3		CZ3		CZ3		CZ3   CZ3		
W		CH2		$			CH2		$			CH2		CH2		CH2		CH2		CH2   CH2		
W		N			$			N			$			N			N			N			N			N     N			
W		NE1		$			NE1		$			NE1		NE1		NE1		NE1		NE1   NE1		
W		O			$			O			$			O			O			O			O			O     O			
Y		H			$			H			HN		HN		HN		H			$			HN    H			
Y		HA		$			HA		HA		HA		HA		HA		$			HA    HA		
Y		HB2		pro-R	1HB		HB1		HB1		HB2		HB2		$			HB2   HB2		
Y		HB3		pro-S	2HB		HB2		HB2		HB1		HB1		$			HB3   HB3		
Y		HD1		$			HD1		HD1		HD1		HD1		HD1		$			HD1   HD1		
Y		HD2		$			HD2		HD2		HD2		HD2		HD2		$			HD2   HD2		
Y		HE1		$			HE1		HE1		HE1		HE1		HE1		$			HE1   HE1		
Y		HE2		$			HE2		HE2		HE2		HE2		HE2		$			HE2   HE2		
Y		HH		$			HH		HOH		HH		HH		HH		$			HH    HH		
Y		C			$			C			$			C			C			C			C			C     C			
Y		CA		$			CA		$			CA		CA		CA		CA		CA    CA		
Y		CB		$			CB		$			CB		CB		CB		CB		CB    CB		
Y		CG		$			CG		$			CG		CG		CG		CG		CG    CG		
Y		CD1		$			CD1		$			CD1		CD1		CD1		CD1		CD1   CD1		
Y		CD2		$			CD2		$			CD2		CD2		CD2		CD2		CD2   CD2		
Y		CE1		$			CE1		$			CE1		CE1		CE1		CE1		CE1   CE1		
Y		CE2		$			CE2		$			CE2		CE2		CE2		CE2		CE2   CE2		
Y		CZ		$			CZ		$			CZ		CZ		CZ		CZ		CZ    CZ		
Y		N			$			N			$			N			N			N			N			N     N			
Y		O			$			O			$			O			O			O			O			O     O			
Y		OH		$			OH		OH		OH		OH		OH		$			OH    OH		
V		H			$			H			HN		HN		HN		H			$			HN    H			
V		HA		$			HA		HA		HA		HA		HA		$			HA    HA		
V		HB		$			HB		HB		HB		HB		HB		$			HB    HB		
V		HG11	$			1HG1	HG11	HG21	HG11	HG11	$			HG11  HG11	
V		HG12	$			2HG1	HG12	HG22	HG12	HG12	$			HG12  HG12	
V		HG13	$			3HG1	HG13	HG23	HG13	HG13	$			HG13  HG13	
V		HG21	$			1HG2	HG21	HG11	HG21	HG21	$			HG21  HG21	
V		HG22	$			2HG2	HG22	HG12	HG22	HG22	$			HG22  HG22	
V		HG23	$			3HG2	HG23	HG13	HG23	HG23	$			HG23  HG23	
V		C			$			C			$			C			C			C			C			C     C			
V		CA		$			CA		$			CA		CA		CA		CA		CA    CA		
V		CB		$			CB		$			CB		CB		CB		CB		CB    CB		
V		CG1		pro-R	CG1		$			CG2		CG1		CG1		CG1		CG1   CG1		
V		CG2		pro-S	CG2		$			CG1		CG2		CG2		CG2		CG2   CG2		
V		N			$			N			N			$			N			N			N			N     N			
V		O			$			O			O			$			O			O			O			O     O