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Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules

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Statistics menu

Statistics Calculated for Selected Chemical Shifts from Atoms in the 20 Common Amino Acids


BMRB Entries not included in the calculations for this table contained chemical shifts outside eight standard deviations from the mean calculated for the full BMRB database or a chemical shift for at least one carbon bound proton that was greater than 10ppm or was less than -2.5ppm. These criteria were used to eliminate from the calculations chemical shifts from paramagnetic proteins, from proteins with aromatic prosthetic groups, and from entries where unusual chemical shift referencing was used. Of the 7951003 possible chemical shifts in the BMRB database, 5992617 were included in calculating this table.

In the table, the highlighted residue codes provide a link to a gif image of the amino acid with its atom nomenclature.
Jump to amino acid: Ala  Arg  Asn  Asp  Cys  Gln  Glu  Gly  His  Ile  

Leu Lys Met Phe Pro Ser Thr Trp Tyr Val

Last updated: 11-16-2017
Amino   Atom    Atom     Number     Minimum     Maximum    Average    Standard    
Acid    Name    Type    of Shifts    Shift       Shift      Shift     Deviation   

ALA     H        H        55948        3.53        12.11       8.19       0.58       
ALA     HA       H        39462        0.87         6.51       4.24       0.43       
ALA     HB       H        37282       -0.83         3.12       1.36       0.24       
ALA     C        C        36711      164.48       187.20     177.80       2.07       
ALA     CA       C        49893       39.92        67.02      53.18       1.94       
ALA     CB       C        46775        6.61        43.14      18.96       1.78       
ALA     N        N        53146       98.05       142.81     123.29       3.46       

ARG     H        H        37007        3.57        12.69       8.23       0.61       
ARG     HA       H        26685        1.29         6.62       4.29       0.46       
ARG     HB2      H        24088       -0.61         3.49       1.79       0.26       
ARG     HB3      H        22816       -0.74         3.32       1.76       0.27       
ARG     HG2      H        21505       -0.64         3.51       1.57       0.27       
ARG     HG3      H        19943       -0.74         3.51       1.55       0.28       
ARG     HD2      H        21108        1.04         4.69       3.12       0.23       
ARG     HD3      H        19256        0.85         4.69       3.10       0.25       
ARG     HE       H        6406         2.20        11.88       7.36       0.58       
ARG     HH11     H        566          5.88        10.07       6.90       0.46       
ARG     HH12     H        437          5.92        10.73       6.86       0.49       
ARG     HH21     H        498          4.85        11.35       6.82       0.49       
ARG     HH22     H        403          5.92        10.19       6.83       0.49       
ARG     C        C        22935      167.44       184.51     176.47       2.01       
ARG     CA       C        31996       35.70        67.98      56.81       2.30       
ARG     CB       C        29697       20.78        42.50      30.64       1.81       
ARG     CG       C        17931       18.22        49.39      27.21       1.21       
ARG     CD       C        18132       23.47        50.88      43.15       0.94       
ARG     CZ       C        464        113.28       179.92     160.04       3.87       
ARG     N        N        34116      102.78       137.60     120.80       3.64       
ARG     NE       N        3853        67.00        99.81      84.59       1.61       
ARG     NH1      N        113         67.60        87.82      74.43       5.27       
ARG     NH2      N        106         69.26        87.83      72.75       3.00       

ASP     H        H        44039        4.06        12.68       8.30       0.57       
ASP     HA       H        31013        2.33         6.67       4.58       0.31       
ASP     HB2      H        28777       -0.39         4.60       2.71       0.26       
ASP     HB3      H        27623       -0.23         4.58       2.66       0.27       
ASP     HD2      H        5            4.65         9.29       6.06       1.87       
ASP     C        C        28268      166.80       182.70     176.44       1.71       
ASP     CA       C        38975       41.11        67.17      54.69       2.03       
ASP     CB       C        36684       26.50        58.51      40.87       1.62       
ASP     CG       C        487        170.72       186.50     179.30       1.81       
ASP     N        N        42030      101.90       143.52     120.68       3.79       

ASN     H        H        30951        2.61        12.40       8.32       0.61       
ASN     HA       H        22397        1.92         6.60       4.66       0.36       
ASN     HB2      H        20876        0.22         4.47       2.80       0.31       
ASN     HB3      H        20113       -0.07         4.77       2.75       0.33       
ASN     HD21     H        15497        2.06        10.92       7.32       0.49       
ASN     HD22     H        15278        2.58        10.92       7.15       0.50       
ASN     C        C        19663      167.04       185.30     175.30       1.77       
ASN     CA       C        27346       41.20        66.21      53.55       1.87       
ASN     CB       C        25799       26.45        55.21      38.69       1.66       
ASN     CG       C        1773       166.40       183.80     176.77       1.39       
ASN     N        N        28813      101.71       137.49     118.92       3.92       
ASN     ND2      N        13289       99.40       134.50     112.76       2.27       

CYS     H        H        15616        4.04        12.66       8.38       0.68       
CYS     HA       H        12937        1.64         6.45       4.65       0.54       
CYS     HB2      H        12445       -0.54         4.72       2.95       0.44       
CYS     HB3      H        12127       -0.83         4.77       2.89       0.45       
CYS     HG       H        141          0.10         7.39       2.02       1.11       
CYS     C        C        7672       166.73       187.59     174.91       2.04       
CYS     CA       C        11062       41.51        68.07      58.14       3.43       
CYS     CB       C        10473       17.99        63.89      33.08       6.37       
CYS     N        N        12045      100.48       138.68     120.11       4.48       

GLU     H        H        57550        4.24        12.69       8.33       0.58       
GLU     HA       H        40761        1.39         6.32       4.24       0.40       
GLU     HB2      H        36677        0.34         3.37       2.02       0.21       
GLU     HB3      H        34465        0.27         3.47       2.00       0.21       
GLU     HG2      H        33849        0.53         3.77       2.27       0.21       
GLU     HG3      H        31521        0.56         3.83       2.25       0.21       
GLU     HE2      H        3            2.73         2.93       2.82       0.10       
GLU     C        C        37806      166.80       183.52     176.93       1.91       
GLU     CA       C        51217       44.35        70.38      57.35       2.07       
GLU     CB       C        47593       18.36        49.56      29.96       1.70       
GLU     CG       C        30023       25.31        54.83      36.10       1.21       
GLU     CD       C        549        173.41       189.46     182.26       2.46       
GLU     N        N        55226      101.34       138.60     120.72       3.44       

GLN     H        H        31798        3.51        12.04       8.22       0.58       
GLN     HA       H        22641        1.57         6.44       4.26       0.42       
GLN     HB2      H        20475       -0.14         4.00       2.04       0.25       
GLN     HB3      H        19502       -0.58         4.04       2.01       0.27       
GLN     HG2      H        19072       -0.11         4.44       2.31       0.27       
GLN     HG3      H        17642       -0.41         4.44       2.29       0.28       
GLN     HE21     H        14203        3.39        11.11       7.22       0.45       
GLN     HE22     H        14131        3.59        10.35       7.04       0.43       
GLN     C        C        20747      168.09       185.31     176.36       1.92       
GLN     CA       C        28584       43.45        66.60      56.60       2.10       
GLN     CB       C        26639       18.43        43.65      29.16       1.81       
GLN     CG       C        16824       21.64        51.08      33.78       1.12       
GLN     CD       C        1661       171.37       183.54     179.72       1.23       
GLN     N        N        30271      103.88       139.55     119.93       3.53       
GLN     NE2      N        12729       92.49       133.30     111.86       1.69       

GLY     H        H        55289        3.01        12.22       8.33       0.63       
GLY     HA2      H        38547        0.84         6.98       3.96       0.37       
GLY     HA3      H        36652        0.74         6.98       3.90       0.37       
GLY     C        C        35527      163.27       184.89     173.90       1.85       
GLY     CA       C        49360       33.15        60.91      45.36       1.31       
GLY     N        N        51630       93.60       162.19     109.60       3.69       

HIS     H        H        15627        3.97        12.39       8.25       0.68       
HIS     HA       H        11564        1.93         8.90       4.60       0.43       
HIS     HB2      H        10693       -0.04         8.70       3.10       0.35       
HIS     HB3      H        10376       -0.39         8.70       3.05       0.37       
HIS     HD1      H        470          2.73        17.20       8.59       2.47       
HIS     HD2      H        7469         3.65        10.35       7.00       0.41       
HIS     HE1      H        5826         3.21        10.88       7.96       0.48       
HIS     HE2      H        184          6.57        16.53       9.63       2.40       
HIS     C        C        10029      166.90       183.12     175.26       1.94       
HIS     CA       C        14302       43.31        77.56      56.51       2.31       
HIS     CB       C        13360       18.75        54.90      30.24       2.11       
HIS     CG       C        112        117.54       139.56     131.98       3.24       
HIS     CD2      C        4929       110.52       159.95     120.39       3.37       
HIS     CE1      C        3771       104.67       145.42     137.65       2.24       
HIS     N        N        14601      103.99       136.48     119.70       4.02       
HIS     ND1      N        246        164.31       229.14     193.41      18.39       
HIS     NE2      N        255        161.10       226.76     184.63      16.58       

ILE     H        H        38880        3.43        11.87       8.27       0.68       
ILE     HA       H        27658        1.32         6.36       4.16       0.55       
ILE     HB       H        25945       -1.28         3.87       1.78       0.29       
ILE     HG12     H        23420       -2.12         2.69       1.28       0.40       
ILE     HG13     H        22526       -2.07         2.99       1.20       0.41       
ILE     HG2      H        24655       -1.47         2.20       0.78       0.27       
ILE     HD1      H        25271       -1.47         2.82       0.68       0.29       
ILE     C        C        25320      166.40       187.55     175.92       1.91       
ILE     CA       C        34683       43.84        71.86      61.67       2.68       
ILE     CB       C        32265       18.10        51.88      38.57       2.00       
ILE     CG1      C        20579        8.77        39.05      27.73       1.71       
ILE     CG2      C        21807        3.45        37.01      17.52       1.35       
ILE     CD1      C        22337        4.94        29.60      13.40       1.67       
ILE     N        N        36917       99.00       138.12     121.42       4.23       

LEU     H        H        64651        2.74        13.22       8.22       0.63       
LEU     HA       H        45696        1.72         6.42       4.30       0.46       
LEU     HB2      H        41847       -1.21         4.13       1.61       0.34       
LEU     HB3      H        40057       -1.41         3.23       1.52       0.36       
LEU     HG       H        36837       -1.06         3.90       1.51       0.33       
LEU     HD1      H        41714       -1.73         2.36       0.75       0.27       
LEU     HD2      H        40067       -1.74         2.67       0.73       0.28       
LEU     C        C        41907      166.22       189.78     177.07       1.94       
LEU     CA       C        57427       42.69        67.88      55.68       2.12       
LEU     CB       C        53557       26.40        53.70      42.25       1.86       
LEU     CG       C        32013       15.30        38.62      26.78       1.11       
LEU     CD1      C        35717       10.95        36.85      24.65       1.60       
LEU     CD2      C        34043        9.86        30.40      24.07       1.69       
LEU     N        N        61176       98.56       177.62     121.83       3.86       

LYS     H        H        54140        4.11        12.03       8.18       0.60       
LYS     HA       H        39240        0.68         6.17       4.26       0.43       
LYS     HB2      H        34926       -0.58         4.05       1.78       0.24       
LYS     HB3      H        32983       -0.72         4.00       1.75       0.26       
LYS     HG2      H        31583       -0.98         3.61       1.37       0.25       
LYS     HG3      H        29173       -1.11         3.61       1.35       0.27       
LYS     HD2      H        28023       -1.68         3.19       1.61       0.21       
LYS     HD3      H        25280       -1.02         3.19       1.60       0.22       
LYS     HE2      H        27723        1.23         4.43       2.91       0.19       
LYS     HE3      H        24463        1.17         4.55       2.91       0.20       
LYS     HZ       H        985          1.95         9.90       7.39       0.67       
LYS     C        C        34157      166.63       185.00     176.71       1.92       
LYS     CA       C        47038       40.73        65.87      56.97       2.18       
LYS     CB       C        43638       21.19        46.60      32.76       1.77       
LYS     CG       C        27037       16.85        40.50      24.89       1.14       
LYS     CD       C        25496       15.37        42.70      28.95       1.11       
LYS     CE       C        24607       25.24        56.00      41.88       0.89       
LYS     N        N        50475      101.10       140.30     121.03       3.70       
LYS     NZ       N        70          29.48        43.69      33.22       1.71       

MET     H        H        15481        4.87        12.46       8.25       0.58       
MET     HA       H        11390        1.13         6.35       4.39       0.46       
MET     HB2      H        10159       -1.05         4.07       2.02       0.33       
MET     HB3      H        9548        -0.99         3.47       1.99       0.34       
MET     HG2      H        9290        -0.42         4.40       2.42       0.35       
MET     HG3      H        8783        -0.47         4.24       2.39       0.38       
MET     HE       H        6787        -0.71         8.38       1.89       0.40       
MET     C        C        10288      167.40       183.16     176.25       2.06       
MET     CA       C        14435       43.28        66.86      56.15       2.20       
MET     CB       C        13292       20.36        46.46      32.92       2.18       
MET     CG       C        7807        15.94        51.70      32.02       1.29       
MET     CE       C        6086        10.50        44.10      17.10       1.68       
MET     N        N        14834      102.80       138.55     120.10       3.49       

PHE     H        H        27486        3.55        12.18       8.34       0.72       
PHE     HA       H        19218        1.78         6.87       4.61       0.56       
PHE     HB2      H        17817        0.16         4.46       3.00       0.37       
PHE     HB3      H        17390       -0.21         4.69       2.94       0.39       
PHE     HD1      H        14791        4.47         8.15       7.06       0.31       
PHE     HD2      H        12650        4.47         8.15       7.06       0.31       
PHE     HE1      H        12834        4.38         8.80       7.08       0.31       
PHE     HE2      H        11127        4.38         8.80       7.08       0.31       
PHE     HZ       H        9054         4.32         9.50       6.99       0.41       
PHE     C        C        17558      166.85       184.93     175.49       1.98       
PHE     CA       C        24100       36.03        69.82      58.13       2.58       
PHE     CB       C        22526       25.52        55.62      39.92       2.07       
PHE     CG       C        218        127.24       152.84     138.35       2.86       
PHE     CD1      C        8779       116.95       143.16     131.59       1.22       
PHE     CD2      C        6475       115.55       138.70     131.59       1.21       
PHE     CE1      C        7620       114.75       139.56     130.73       1.30       
PHE     CE2      C        5622       114.70       139.70     130.76       1.20       
PHE     CZ       C        5829       115.10       139.13     129.21       1.49       
PHE     N        N        25880      102.20       139.02     120.38       4.14       

PRO     HA       H        22199        1.04         8.08       4.39       0.33       
PRO     HB2      H        20515       -0.75         4.59       2.08       0.35       
PRO     HB3      H        19919       -0.58         3.79       2.00       0.35       
PRO     HG2      H        18423       -0.77         4.42       1.92       0.31       
PRO     HG3      H        17104       -0.73         4.42       1.90       0.32       
PRO     HD2      H        18843        0.63         5.36       3.65       0.35       
PRO     HD3      H        18181        0.34         5.36       3.61       0.38       
PRO     C        C        18852      168.38       182.84     176.76       1.49       
PRO     CA       C        26895       31.80        72.28      63.34       1.55       
PRO     CB       C        25043       20.91        56.76      31.84       1.19       
PRO     CG       C        16488       18.28        50.75      27.19       1.11       
PRO     CD       C        16455       26.92        58.81      50.33       1.06       
PRO     N        N        1025       110.49       145.26     135.18       5.68       

SER     H        H        47337        2.32        13.13       8.28       0.58       
SER     HA       H        34343        1.28         6.85       4.47       0.40       
SER     HB2      H        31303        1.70         5.45       3.87       0.25       
SER     HB3      H        29018        1.55         5.45       3.85       0.27       
SER     HG       H        503          0.13         8.97       5.38       1.04       
SER     C        C        30779      164.47       197.10     174.65       1.73       
SER     CA       C        42913       45.13        73.19      58.74       2.07       
SER     CB       C        39619       31.20        76.39      63.79       1.52       
SER     N        N        44505       95.97       133.68     116.28       3.49       

THR     H        H        41705        5.32        11.82       8.24       0.62       
THR     HA       H        29717        1.65         7.47       4.45       0.47       
THR     HB       H        26977        0.92         8.35       4.16       0.32       
THR     HG1      H        877          0.32         9.01       5.15       1.17       
THR     HG2      H        26719       -1.21         3.40       1.14       0.22       
THR     C        C        26592      165.50       184.43     174.57       1.73       
THR     CA       C        36768       48.01        72.80      62.24       2.58       
THR     CB       C        33949       29.97        81.53      69.70       1.75       
THR     CG2      C        22247       11.70        36.73      21.55       1.11       
THR     N        N        39385       95.77       138.27     115.35       4.72       

TRP     H        H        8797         5.16        11.76       8.27       0.77       
TRP     HA       H        6143         2.24         6.58       4.67       0.52       
TRP     HB2      H        5774         0.68         4.54       3.19       0.34       
TRP     HB3      H        5608         0.26         4.44       3.12       0.36       
TRP     HD1      H        5139         4.60         8.93       7.14       0.34       
TRP     HE1      H        5713         5.12        14.39      10.08       0.64       
TRP     HE3      H        4447         4.89         9.95       7.32       0.41       
TRP     HZ2      H        4796         4.66         8.60       7.28       0.32       
TRP     HZ3      H        4303         3.88         8.90       6.87       0.37       
TRP     HH2      H        4412         4.37        10.17       6.98       0.37       
TRP     C        C        5277       168.17       182.60     176.21       1.99       
TRP     CA       C        7343        43.50        81.00      57.73       2.54       
TRP     CB       C        6842        18.63        52.30      29.96       2.00       
TRP     CG       C        135        107.50       116.53     111.03       1.83       
TRP     CD1      C        3197       108.45       135.60     126.56       1.86       
TRP     CD2      C        109        120.00       132.62     127.71       1.83       
TRP     CE2      C        111        113.89       177.71     138.04       7.14       
TRP     CE3      C        2674        93.34       137.60     120.47       1.82       
TRP     CZ2      C        3053        81.81       134.70     114.26       1.44       
TRP     CZ3      C        2712        98.61       138.39     121.36       1.59       
TRP     CH2      C        2845        91.62       131.54     123.81       1.56       
TRP     N        N        7940       101.97       138.11     121.60       4.06       
TRP     NE1      N        4589       106.00       144.36     129.29       2.08       

TYR     H        H        23175        4.16        12.34       8.30       0.72       
TYR     HA       H        16518        1.19         6.83       4.60       0.56       
TYR     HB2      H        15254       -0.49         4.70       2.90       0.37       
TYR     HB3      H        14905       -0.19         4.70       2.84       0.39       
TYR     HD1      H        13189        4.68         8.54       6.93       0.30       
TYR     HD2      H        11476        4.43         8.54       6.93       0.29       
TYR     HE1      H        12510        4.58         7.85       6.70       0.23       
TYR     HE2      H        10979        4.56         8.50       6.70       0.23       
TYR     HH       H        225         -0.79        13.75       9.13       1.62       
TYR     C        C        14317      167.86       184.78     175.49       1.97       
TYR     CA       C        19922       44.64        69.56      58.18       2.50       
TYR     CB       C        18421       25.32        57.73      39.27       2.14       
TYR     CG       C        190        117.70       144.30     129.53       2.53       
TYR     CD1      C        7884       115.30       141.57     132.73       1.34       
TYR     CD2      C        5645       113.00       139.47     132.70       1.49       
TYR     CE1      C        7811       110.70       137.42     117.94       1.28       
TYR     CE2      C        5570       106.55       135.82     117.91       1.25       
TYR     CZ       C        154        153.54       160.45     156.82       1.48       
TYR     N        N        21318      100.09       144.96     120.49       4.10       

VAL     H        H        50922        3.98        12.59       8.28       0.66       
VAL     HA       H        36289        0.97         6.30       4.16       0.57       
VAL     HB       H        33621       -1.24         3.76       1.98       0.31       
VAL     HG1      H        33290       -1.13         2.57       0.83       0.26       
VAL     HG2      H        32600       -2.32         3.32       0.80       0.28       
VAL     C        C        33424      165.65       183.95     175.71       1.86       
VAL     CA       C        45346       44.98        70.34      62.56       2.84       
VAL     CB       C        41813       18.97        45.33      32.70       1.78       
VAL     CG1      C        28729       12.07        32.27      21.51       1.36       
VAL     CG2      C        27705       11.38        33.12      21.28       1.54       
VAL     N        N        48625       97.22       143.29     121.10       4.44