Protein Assigned Chemical Shift Outliers

___________________________________________________ The full BMRB archive has been used to generate the data tables available from this page. These data include chemical shifts from paramagnetic systems and from studies where non-standard chemical shift references were used. For these reasons, the statistical values and reported chemical shifts have a broad range of values. If you do find errors in the tables, please report them to the BMRB Help desk. bmrbhelp@bmrb.wisc.edu

Amino Acid and Atom Selection Grid

Amino Acid Chemical
Shift
Histograms Atom Names

Proton Carbon Nitrogen

H HA Other
Protons C CA CB Other
Carbons N Other
Nitrogens
Alanine plot H HA HB C CA CB N

Arginine plot H HA HB2; HB3; HG2; HG3;
HD2; HD3; HE; HH11;
HH12; HH21; HH22 C CA CB CG; CD; CZ N NE; NH1; NH2

Asparagine plot H HA HB2; HB3; HD21; HD22 C CA CB CG N ND2

Aspartic acid plot H HA HB2; HB3 C CA CB CG N

Cysteine/Cystine plot H HA HB2; HB3; HG C CA CB N

Glutamine plot H HA HB2; HB3; HG2; HG3; HE21; HE22 C CA CB CG; CD N NE2

Glutamic acid plot H HA HB2; HB3; HG2; HG3 C CA CB CG; CD N

Glycine plot H HA2; HA3 C CA N

Histidine plot H HA HB2; HB3; HD1; HD2; HE1; HE2 C CA CB CG; CD2; CE1 N ND1; NE2

Isoleucine plot H HA HB; HG12; HG13; HG2; HD1 C CA CB CG1; CG2; CD1 N

Leucine plot H HA HB2; HB3; HG; HD1; HD2 C CA CB CG; CD1; CD2 N

Lysine plot H HA HB2; HB3; HG2; HG3; HD2; HD3; HE2; HE3; HZ C CA CB CG; CD; CE N NZ

Methionine plot H HA HB2; HB3; HG2; HG3; HE C CA CB CG; CE N

Phenylalanine plot H HA HB2; HB3; HD1; HD2; HE1; HE2; HZ C CA CB CG; CD1; CD2; CE1; CE2; CZ N

Proline plot HA HB2; HB3; HG2; HG3; HD2; HD3 C CA CB CG; CD N

Serine plot H HA HB2; HB3; HG C CA CB N

Threonine plot H HA HB; HG1; HG2 C CA CB CG2 N

Tryptophan plot H HA HB2; HB3; HD1; HE1; HE3; HZ2; HZ3; HH2 C CA CB CG; CD1; CD2; CE2; CE3; CZ2; CZ3; CH2 N NE1

Tyrosine plot H HA HB2; HB3; HD1; HD2; HE1; HE2; HH C CA CB CG; CD1; CD2; CE1; CE2; CZ N

Valine plot H HA HB; HG1; HG2 C CA CB CG1; CG2 N

Amino Acid and Atom Selection Grid
Amino Acid	Chemical Shift Histograms	Atom Names
		Proton			Carbon				Nitrogen
		H	HA	Other Protons	C	CA	CB	Other Carbons	N	Other Nitrogens
Alanine	plot	H	HA	HB	C	CA	CB		N
Arginine	plot	H	HA	HB2; HB3; HG2; HG3; HD2; HD3; HE; HH11; HH12; HH21; HH22	C	CA	CB	CG; CD; CZ	N	NE; NH1; NH2
Asparagine	plot	H	HA	HB2; HB3; HD21; HD22	C	CA	CB	CG	N	ND2
Aspartic acid	plot	H	HA	HB2; HB3	C	CA	CB	CG	N
Cysteine/Cystine	plot	H	HA	HB2; HB3; HG	C	CA	CB		N
Glutamine	plot	H	HA	HB2; HB3; HG2; HG3; HE21; HE22	C	CA	CB	CG; CD	N	NE2
Glutamic acid	plot	H	HA	HB2; HB3; HG2; HG3	C	CA	CB	CG; CD	N
Glycine	plot	H	HA2; HA3		C	CA			N
Histidine	plot	H	HA	HB2; HB3; HD1; HD2; HE1; HE2	C	CA	CB	CG; CD2; CE1	N	ND1; NE2
Isoleucine	plot	H	HA	HB; HG12; HG13; HG2; HD1	C	CA	CB	CG1; CG2; CD1	N
Leucine	plot	H	HA	HB2; HB3; HG; HD1; HD2	C	CA	CB	CG; CD1; CD2	N
Lysine	plot	H	HA	HB2; HB3; HG2; HG3; HD2; HD3; HE2; HE3; HZ	C	CA	CB	CG; CD; CE	N	NZ
Methionine	plot	H	HA	HB2; HB3; HG2; HG3; HE	C	CA	CB	CG; CE	N
Phenylalanine	plot	H	HA	HB2; HB3; HD1; HD2; HE1; HE2; HZ	C	CA	CB	CG; CD1; CD2; CE1; CE2; CZ	N
Proline	plot		HA	HB2; HB3; HG2; HG3; HD2; HD3	C	CA	CB	CG; CD	N
Serine	plot	H	HA	HB2; HB3; HG	C	CA	CB		N
Threonine	plot	H	HA	HB; HG1; HG2	C	CA	CB	CG2	N
Tryptophan	plot	H	HA	HB2; HB3; HD1; HE1; HE3; HZ2; HZ3; HH2	C	CA	CB	CG; CD1; CD2; CE2; CE3; CZ2; CZ3; CH2	N	NE1
Tyrosine	plot	H	HA	HB2; HB3; HD1; HD2; HE1; HE2; HH	C	CA	CB	CG; CD1; CD2; CE1; CE2; CZ	N
Valine	plot	H	HA	HB; HG1; HG2	C	CA	CB	CG1; CG2	N