BMRB Logo

Biological Magnetic Resonance Data Bank


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

Search Archive Validation Tools Deposit Data NMR Statistics Spectroscopists' Corner Programmers' Corner Home
Site Map FTP Access Structural Genomics
and other "omics"
Metabolomics Educational Outreach NMR Data Formats Useful NMR Links
[an error occurred while processing this directive]
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 9039522 possible chemical shifts in the BMRB database, 6849754 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: 08-06-2020
Amino   Atom    Atom     Number     Minimum     Maximum    Average    Standard    
Acid    Name    Type    of Shifts    Shift       Shift      Shift     Deviation   

ALA     H        H        65977        3.53        12.11       8.19       0.58       
ALA     HA       H        43731        0.87         6.57       4.24       0.42       
ALA     HB       H        41439       -0.83         3.12       1.36       0.24       
ALA     C        C        43268      164.48       187.20     177.81       2.05       
ALA     CA       C        58907       39.92        67.02      53.17       1.93       
ALA     CB       C        55278        6.61        43.14      18.96       1.78       
ALA     N        N        63292       98.05       142.81     123.32       3.45       

ARG     H        H        43955        3.57        12.69       8.23       0.61       
ARG     HA       H        29765        1.29         6.62       4.29       0.45       
ARG     HB2      H        26749       -0.61         3.74       1.80       0.26       
ARG     HB3      H        25331       -0.74         3.74       1.77       0.27       
ARG     HG2      H        23764       -0.64         3.51       1.57       0.26       
ARG     HG3      H        22074       -0.74         3.51       1.55       0.28       
ARG     HD2      H        23310        1.04         4.85       3.12       0.23       
ARG     HD3      H        21249        0.89         4.69       3.10       0.25       
ARG     HE       H        6986         2.20        11.88       7.36       0.58       
ARG     HH11     H        608          5.88        10.11       6.91       0.48       
ARG     HH12     H        465          5.92        10.73       6.87       0.51       
ARG     HH21     H        524          4.85        11.35       6.81       0.48       
ARG     HH22     H        422          5.92        10.19       6.83       0.50       
ARG     C        C        27146      167.44       184.51     176.49       1.99       
ARG     CA       C        38067       35.70        67.98      56.80       2.29       
ARG     CB       C        35302       20.78        43.39      30.64       1.80       
ARG     CG       C        20149       18.22        49.39      27.22       1.20       
ARG     CD       C        20302       27.12        50.88      43.16       0.92       
ARG     CZ       C        518        113.28       179.92     160.05       3.78       
ARG     N        N        40960      102.43       137.60     120.85       3.62       
ARG     NE       N        4175        67.00        99.81      84.60       1.62       
ARG     NH1      N        137         67.60        87.82      74.32       5.13       
ARG     NH2      N        120         69.26        87.83      72.78       2.97       

ASP     H        H        51960        4.06        12.68       8.30       0.56       
ASP     HA       H        34370        2.33         6.67       4.58       0.31       
ASP     HB2      H        31732       -0.39         4.60       2.71       0.26       
ASP     HB3      H        30469       -0.23         4.58       2.66       0.27       
ASP     HD2      H        9            4.58        12.12       7.19       2.89       
ASP     C        C        33379      166.80       182.70     176.43       1.69       
ASP     CA       C        46013       41.11        67.17      54.69       2.01       
ASP     CB       C        43330       26.50        58.51      40.87       1.60       
ASP     CG       C        590        169.68       186.50     179.25       1.86       
ASP     N        N        50010      101.90       143.52     120.71       3.76       

ASN     H        H        36495        2.61        12.68       8.32       0.61       
ASN     HA       H        24676        2.04         6.60       4.66       0.35       
ASN     HB2      H        22892        0.22         4.47       2.80       0.31       
ASN     HB3      H        22060       -0.04         4.77       2.75       0.33       
ASN     HD21     H        16755        2.06        10.92       7.32       0.48       
ASN     HD22     H        16526        2.58        10.92       7.15       0.50       
ASN     C        C        23008      166.80       185.30     175.29       1.76       
ASN     CA       C        32211       41.20        64.51      53.54       1.85       
ASN     CB       C        30428       23.16        57.35      38.69       1.66       
ASN     CG       C        1912       166.40       183.80     176.78       1.38       
ASN     N        N        34326      101.71       137.49     118.93       3.88       
ASN     ND2      N        14416       99.40       134.50     112.76       2.26       

CYS     H        H        17989        4.38        12.66       8.38       0.68       
CYS     HA       H        14405        1.64         6.45       4.65       0.54       
CYS     HB2      H        13799       -0.54         4.72       2.95       0.44       
CYS     HB3      H        13457       -0.83         4.77       2.89       0.45       
CYS     HG       H        178         -1.83         7.39       1.95       1.17       
CYS     C        C        8822       166.73       187.59     174.87       2.02       
CYS     CA       C        12882       41.51        68.07      58.10       3.43       
CYS     CB       C        12227       17.99        63.89      33.22       6.43       
CYS     N        N        14160      100.48       138.68     120.12       4.43       

GLU     H        H        68297        4.29        12.69       8.33       0.58       
GLU     HA       H        45436        1.39         6.32       4.24       0.40       
GLU     HB2      H        40643        0.34         3.37       2.02       0.21       
GLU     HB3      H        38244        0.27         3.47       2.00       0.21       
GLU     HG2      H        37363        0.56         3.77       2.27       0.21       
GLU     HG3      H        34868        0.56         3.83       2.25       0.21       
GLU     HE2      H        6            2.73         2.93       2.82       0.07       
GLU     C        C        44604      166.80       183.52     176.94       1.89       
GLU     CA       C        60540       41.96        71.16      57.33       2.07       
GLU     CB       C        56295       18.36        49.56      29.96       1.69       
GLU     CG       C        33643       25.06        54.83      36.11       1.19       
GLU     CD       C        686        173.41       189.46     182.31       2.29       
GLU     N        N        65994      101.34       138.60     120.75       3.42       

GLN     H        H        37702        3.51        12.22       8.22       0.57       
GLN     HA       H        25154        1.57         6.44       4.26       0.42       
GLN     HB2      H        22653       -0.11         4.00       2.05       0.25       
GLN     HB3      H        21593       -0.52         4.04       2.01       0.26       
GLN     HG2      H        21034       -0.21         4.44       2.31       0.26       
GLN     HG3      H        19508       -0.41         4.44       2.29       0.28       
GLN     HE21     H        15498        3.39        11.08       7.22       0.44       
GLN     HE22     H        15413        3.59        10.35       7.04       0.43       
GLN     C        C        24316      168.09       185.31     176.36       1.91       
GLN     CA       C        33685       43.45        66.60      56.58       2.10       
GLN     CB       C        31392       18.43        43.65      29.16       1.79       
GLN     CG       C        18734       21.64        51.08      33.78       1.10       
GLN     CD       C        1836       171.37       183.93     179.70       1.25       
GLN     N        N        36193      103.88       139.55     119.99       3.51       
GLN     NE2      N        13941       92.49       133.30     111.87       1.68       

GLY     H        H        65182        3.01        12.22       8.33       0.63       
GLY     HA2      H        42435        0.84         6.98       3.96       0.36       
GLY     HA3      H        40411        0.74         6.98       3.89       0.36       
GLY     C        C        41676      163.27       184.89     173.90       1.82       
GLY     CA       C        58189       33.15        61.28      45.36       1.30       
GLY     N        N        61500       93.60       162.19     109.57       3.65       

HIS     H        H        18158        3.97        12.39       8.24       0.67       
HIS     HA       H        12681        1.93         8.90       4.60       0.43       
HIS     HB2      H        11700       -0.04         8.70       3.10       0.35       
HIS     HB3      H        11353       -0.39         8.70       3.05       0.37       
HIS     HD1      H        515          2.73        17.20       8.51       2.41       
HIS     HD2      H        8046         3.65         9.42       7.00       0.41       
HIS     HE1      H        6241         3.21        10.88       7.95       0.48       
HIS     HE2      H        205          6.57        16.53       9.56       2.33       
HIS     C        C        11575      166.90       183.12     175.26       1.94       
HIS     CA       C        16537       43.31        77.56      56.49       2.31       
HIS     CB       C        15447       18.75        54.90      30.26       2.11       
HIS     CG       C        163        117.54       139.56     132.12       3.10       
HIS     CD2      C        5368       110.52       159.95     120.34       3.32       
HIS     CE1      C        4119       104.67       145.42     137.62       2.24       
HIS     N        N        17133      103.99       136.48     119.70       4.01       
HIS     ND1      N        322        162.83       229.14     194.62      19.10       
HIS     NE2      N        333        161.10       226.76     184.29      16.64       

ILE     H        H        45744        3.42        11.87       8.26       0.68       
ILE     HA       H        30671        1.32         6.36       4.16       0.55       
ILE     HB       H        28621       -1.28         3.87       1.78       0.29       
ILE     HG12     H        25778       -2.12         2.85       1.27       0.40       
ILE     HG13     H        24773       -2.07         2.99       1.20       0.41       
ILE     HG2      H        27256       -1.47         2.20       0.78       0.27       
ILE     HD1      H        28643       -1.47         2.82       0.68       0.28       
ILE     C        C        29501      166.40       187.55     175.94       1.90       
ILE     CA       C        40587       39.56        71.86      61.67       2.69       
ILE     CB       C        37701       18.10        51.88      38.55       1.99       
ILE     CG1      C        23074        8.77        42.09      27.75       1.70       
ILE     CG2      C        24391        3.45        37.01      17.52       1.33       
ILE     CD1      C        25711        4.94        29.60      13.40       1.65       
ILE     N        N        43749       83.33       138.12     121.42       4.21       

LEU     H        H        76100        4.08        13.22       8.22       0.63       
LEU     HA       H        50666        1.72         6.42       4.30       0.45       
LEU     HB2      H        46198       -1.20         4.13       1.61       0.34       
LEU     HB3      H        44297       -1.41         3.23       1.53       0.36       
LEU     HG       H        40466       -1.06         3.90       1.51       0.33       
LEU     HD1      H        46706       -1.73         2.36       0.75       0.27       
LEU     HD2      H        44897       -1.92         2.35       0.73       0.28       
LEU     C        C        49074      166.22       189.78     177.08       1.93       
LEU     CA       C        67481       42.69        67.88      55.68       2.11       
LEU     CB       C        62823       26.88        54.44      42.24       1.85       
LEU     CG       C        35693       15.30        37.80      26.78       1.09       
LEU     CD1      C        40439       10.95        36.85      24.64       1.59       
LEU     CD2      C        38575        9.86        32.52      24.07       1.68       
LEU     N        N        72528       84.66       177.62     121.84       3.84       

LYS     H        H        63925        3.26        12.03       8.18       0.59       
LYS     HA       H        43675        1.30         6.25       4.26       0.43       
LYS     HB2      H        38768       -0.30         3.82       1.78       0.24       
LYS     HB3      H        36662       -0.45         3.82       1.75       0.26       
LYS     HG2      H        34941       -0.69         3.13       1.37       0.25       
LYS     HG3      H        32368       -0.85         3.05       1.35       0.26       
LYS     HD2      H        30966       -1.02         3.19       1.61       0.21       
LYS     HD3      H        28030       -0.53         3.19       1.60       0.21       
LYS     HE2      H        30552        0.67         4.43       2.91       0.19       
LYS     HE3      H        27035        1.17         4.55       2.91       0.20       
LYS     HZ       H        1063         1.95         9.90       7.39       0.65       
LYS     C        C        40004      166.63       185.00     176.73       1.91       
LYS     CA       C        55320       40.73        65.87      56.97       2.16       
LYS     CB       C        51451       21.19        46.60      32.75       1.77       
LYS     CG       C        30335       16.85        40.50      24.90       1.13       
LYS     CD       C        28544       15.37        42.87      28.96       1.10       
LYS     CE       C        27481       25.24        56.00      41.89       0.87       
LYS     N        N        60055      101.10       140.30     121.06       3.68       
LYS     NZ       N        76          29.48        35.90      33.02       1.20       

MET     H        H        17964        4.87        12.46       8.25       0.58       
MET     HA       H        12516        1.13         6.35       4.39       0.46       
MET     HB2      H        11098       -1.05         4.07       2.03       0.32       
MET     HB3      H        10433       -0.99         3.47       1.99       0.34       
MET     HG2      H        10133       -0.42         4.40       2.42       0.35       
MET     HG3      H        9597        -0.47         4.24       2.39       0.37       
MET     HE       H        7574        -0.71         8.38       1.89       0.39       
MET     C        C        11948      167.40       183.16     176.26       2.05       
MET     CA       C        16776       43.28        66.86      56.16       2.19       
MET     CB       C        15453       20.36        46.46      32.93       2.16       
MET     CG       C        8671        15.94        51.70      32.03       1.30       
MET     CE       C        6900         0.00        44.10      17.11       1.72       
MET     N        N        17342      102.80       138.55     120.09       3.46       

PHE     H        H        32231        3.55        12.18       8.34       0.71       
PHE     HA       H        21166        1.33         6.87       4.61       0.56       
PHE     HB2      H        19521        0.16         4.46       3.00       0.36       
PHE     HB3      H        19085       -0.14         4.69       2.94       0.38       
PHE     HD1      H        15981        4.47         8.15       7.06       0.31       
PHE     HD2      H        13762        4.47         8.15       7.06       0.31       
PHE     HE1      H        13831        4.38         8.80       7.08       0.31       
PHE     HE2      H        12074        4.38         8.80       7.08       0.31       
PHE     HZ       H        9689         4.32         9.50       6.99       0.41       
PHE     C        C        20422      166.85       184.93     175.49       1.97       
PHE     CA       C        28294       36.03        69.82      58.12       2.57       
PHE     CB       C        26364       25.52        56.74      39.92       2.06       
PHE     CG       C        280        127.24       152.84     138.31       2.73       
PHE     CD1      C        9665       116.95       143.16     131.57       1.25       
PHE     CD2      C        7003       115.55       140.31     131.58       1.22       
PHE     CE1      C        8368       114.75       139.56     130.72       1.34       
PHE     CE2      C        6052       114.70       139.70     130.75       1.20       
PHE     CZ       C        6309       115.10       139.13     129.22       1.48       
PHE     N        N        30631      101.47       139.02     120.38       4.10       

PRO     HA       H        24441        1.04         8.08       4.39       0.32       
PRO     HB2      H        22495       -0.75         4.59       2.08       0.34       
PRO     HB3      H        21847       -0.58         3.79       2.00       0.35       
PRO     HG2      H        20051       -0.60         4.42       1.93       0.30       
PRO     HG3      H        18640       -0.73         4.42       1.90       0.32       
PRO     HD2      H        20536        0.63         5.36       3.65       0.35       
PRO     HD3      H        19815        0.34         5.36       3.62       0.38       
PRO     C        C        22128      168.38       182.84     176.76       1.47       
PRO     CA       C        31228       48.56        72.28      63.35       1.51       
PRO     CB       C        28977       20.91        50.25      31.84       1.16       
PRO     CG       C        18255       18.28        50.75      27.20       1.10       
PRO     CD       C        18215       26.92        58.81      50.34       1.04       
PRO     N        N        1374       110.49       145.74     135.33       5.31       

SER     H        H        55732        2.96        13.13       8.28       0.57       
SER     HA       H        37753        1.28         6.85       4.47       0.40       
SER     HB2      H        34317        1.70         5.45       3.87       0.25       
SER     HB3      H        31807        1.16         5.45       3.85       0.27       
SER     HG       H        614          0.13         8.97       5.37       1.05       
SER     C        C        36154      164.47       197.10     174.65       1.72       
SER     CA       C        50627       45.13        73.19      58.72       2.06       
SER     CB       C        46705       31.40        76.39      63.80       1.50       
SER     N        N        52978       95.97       133.68     116.30       3.47       

THR     H        H        49196        5.32        11.80       8.23       0.61       
THR     HA       H        32885        1.65         7.47       4.45       0.47       
THR     HB       H        29710        0.92         8.35       4.16       0.32       
THR     HG1      H        1027        -1.78         9.01       5.07       1.29       
THR     HG2      H        29465       -0.97         3.28       1.14       0.21       
THR     C        C        31149      165.50       184.43     174.57       1.71       
THR     CA       C        43368       40.74        72.80      62.23       2.57       
THR     CB       C        39983       27.09        81.53      69.70       1.72       
THR     CG2      C        24877       11.70        35.09      21.55       1.09       
THR     N        N        46896       95.26       138.27     115.34       4.71       

TRP     H        H        10185        5.16        11.76       8.27       0.77       
TRP     HA       H        6687         2.04         6.58       4.66       0.52       
TRP     HB2      H        6252         0.68         4.54       3.19       0.34       
TRP     HB3      H        6065         0.26         4.44       3.13       0.36       
TRP     HD1      H        5505         4.60         8.93       7.14       0.34       
TRP     HE1      H        6230         4.69        13.49      10.08       0.64       
TRP     HE3      H        4744         4.89         9.95       7.32       0.41       
TRP     HZ2      H        5123         4.66         8.60       7.28       0.32       
TRP     HZ3      H        4580         3.88         8.90       6.87       0.37       
TRP     HH2      H        4714         4.37        10.17       6.98       0.36       
TRP     C        C        6138       168.17       182.60     176.20       1.98       
TRP     CA       C        8593        43.50        81.00      57.72       2.53       
TRP     CB       C        7942        18.63        52.30      29.94       1.98       
TRP     CG       C        158        105.80       116.53     111.05       1.82       
TRP     CD1      C        3451       108.45       135.60     126.55       1.86       
TRP     CD2      C        118        120.00       132.62     127.82       1.90       
TRP     CE2      C        121        113.89       177.71     138.05       6.84       
TRP     CE3      C        2863        93.34       137.60     120.48       1.83       
TRP     CZ2      C        3290        81.81       134.70     114.26       1.44       
TRP     CZ3      C        2907        98.61       138.39     121.37       1.61       
TRP     CH2      C        3069        91.62       131.54     123.81       1.55       
TRP     N        N        9307       101.97       138.11     121.56       4.07       
TRP     NE1      N        5034       106.00       139.73     129.28       2.04       

TYR     H        H        27167        4.16        12.34       8.29       0.73       
TYR     HA       H        18094        1.19         6.83       4.60       0.55       
TYR     HB2      H        16643       -0.49         4.70       2.91       0.37       
TYR     HB3      H        16263       -0.19         4.70       2.84       0.39       
TYR     HD1      H        14195        4.68         8.54       6.93       0.29       
TYR     HD2      H        12427        4.43         8.54       6.93       0.29       
TYR     HE1      H        13454        4.58         8.04       6.70       0.22       
TYR     HE2      H        11867        4.56         8.50       6.70       0.23       
TYR     HH       H        244         -0.79        13.75       9.14       1.58       
TYR     C        C        16721      167.86       184.78     175.51       1.95       
TYR     CA       C        23290       44.64        69.56      58.18       2.49       
TYR     CB       C        21521       25.32        57.73      39.26       2.13       
TYR     CG       C        246        117.70       144.30     129.64       2.51       
TYR     CD1      C        8612       115.30       141.57     132.71       1.40       
TYR     CD2      C        6123       113.00       139.47     132.69       1.52       
TYR     CE1      C        8516        92.49       137.42     117.95       1.38       
TYR     CE2      C        6022       106.55       135.82     117.92       1.28       
TYR     CZ       C        156        153.54       160.45     156.82       1.47       
TYR     N        N        25297       61.07       144.96     120.48       4.09       

VAL     H        H        59731        3.98        12.59       8.27       0.66       
VAL     HA       H        39990        0.97         6.30       4.16       0.57       
VAL     HB       H        36854       -1.24         3.76       1.98       0.31       
VAL     HG1      H        37059       -1.13         2.57       0.83       0.26       
VAL     HG2      H        36275       -2.32         3.32       0.80       0.28       
VAL     C        C        38913      165.65       183.95     175.72       1.85       
VAL     CA       C        53114       39.65        77.15      62.55       2.85       
VAL     CB       C        48931       18.97        45.33      32.68       1.78       
VAL     CG1      C        32431       12.07        32.27      21.51       1.37       
VAL     CG2      C        31245       11.38        33.12      21.30       1.52       
VAL     N        N        57489       93.76       143.29     121.08       4.41