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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 7665341 possible chemical shifts in the BMRB database, 5760079 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: 03-23-2017
Amino   Atom    Atom     Number     Minimum     Maximum    Average    Standard    
Acid    Name    Type    of Shifts    Shift       Shift      Shift     Deviation   

ALA     H        H        53558        3.53        12.11       8.19       0.58       
ALA     HA       H        37994        0.87         6.51       4.24       0.43       
ALA     HB       H        35858       -0.83         3.12       1.36       0.25       
ALA     C        C        34944      164.48       187.20     177.81       2.07       
ALA     CA       C        47532       39.92        65.52      53.18       1.94       
ALA     CB       C        44580        6.61        43.14      18.97       1.78       
ALA     N        N        50753       98.05       142.81     123.29       3.47       

ARG     H        H        35513        3.57        12.69       8.23       0.61       
ARG     HA       H        25764        1.29         6.62       4.29       0.46       
ARG     HB2      H        23264       -0.61         3.49       1.79       0.26       
ARG     HB3      H        22052       -0.74         3.32       1.76       0.27       
ARG     HG2      H        20816       -0.64         3.51       1.57       0.27       
ARG     HG3      H        19284       -0.74         3.51       1.54       0.28       
ARG     HD2      H        20430        1.04         4.69       3.12       0.23       
ARG     HD3      H        18629        0.85         4.69       3.10       0.25       
ARG     HE       H        6210         2.20        11.88       7.36       0.59       
ARG     HH11     H        552          5.88        10.07       6.90       0.46       
ARG     HH12     H        426          5.92        10.73       6.86       0.49       
ARG     HH21     H        484          4.85        11.35       6.82       0.49       
ARG     HH22     H        391          5.92        10.19       6.83       0.49       
ARG     C        C        21919      167.44       184.51     176.47       2.01       
ARG     CA       C        30620       35.70        67.98      56.81       2.31       
ARG     CB       C        28427       20.78        42.50      30.64       1.81       
ARG     CG       C        17280       18.22        49.39      27.21       1.21       
ARG     CD       C        17480       23.47        50.88      43.14       0.94       
ARG     CZ       C        447        113.28       179.69     159.98       3.71       
ARG     N        N        32644      102.78       137.60     120.79       3.64       
ARG     NE       N        3733        67.00        99.81      84.58       1.60       
ARG     NH1      N        109         67.60        87.79      74.23       5.06       
ARG     NH2      N        100         69.26        85.28      72.64       2.67       

ASP     H        H        42314        4.06        12.68       8.30       0.57       
ASP     HA       H        30019        2.33         6.67       4.58       0.31       
ASP     HB2      H        27839       -0.39         4.60       2.71       0.26       
ASP     HB3      H        26737       -0.23         4.58       2.66       0.27       
ASP     HD2      H        5            4.65         9.29       6.06       1.87       
ASP     C        C        27018      166.80       182.70     176.44       1.72       
ASP     CA       C        37280       41.11        67.17      54.69       2.03       
ASP     CB       C        35129       26.50        58.51      40.86       1.62       
ASP     CG       C        464        170.72       186.50     179.32       1.83       
ASP     N        N        40282      101.90       143.52     120.67       3.79       

ASN     H        H        29652        2.61        12.40       8.32       0.62       
ASN     HA       H        21644        1.92         6.60       4.66       0.36       
ASN     HB2      H        20157        0.18         4.47       2.80       0.31       
ASN     HB3      H        19427       -0.07         4.77       2.75       0.33       
ASN     HD21     H        14980        2.06        10.92       7.32       0.49       
ASN     HD22     H        14762        2.58        10.92       7.15       0.50       
ASN     C        C        18787      167.04       185.30     175.30       1.78       
ASN     CA       C        26089       41.31        66.21      53.55       1.87       
ASN     CB       C        24624       26.45        55.09      38.69       1.66       
ASN     CG       C        1719       166.40       183.80     176.77       1.39       
ASN     N        N        27521      101.71       137.49     118.91       3.92       
ASN     ND2      N        12798       99.40       134.50     112.76       2.29       

CYS     H        H        15005        4.04        12.66       8.37       0.68       
CYS     HA       H        12502        1.64         6.45       4.65       0.54       
CYS     HB2      H        12026       -0.54         4.72       2.95       0.44       
CYS     HB3      H        11720       -0.83         4.77       2.89       0.45       
CYS     HG       H        136          0.10         7.39       2.02       1.13       
CYS     C        C        7336       166.73       187.59     174.93       2.03       
CYS     CA       C        10529       42.45        68.07      58.18       3.42       
CYS     CB       C        9958        17.99        63.89      33.02       6.35       
CYS     N        N        11467      100.48       138.68     120.10       4.48       

GLU     H        H        55317        4.24        12.69       8.33       0.58       
GLU     HA       H        39458        1.39         6.32       4.24       0.40       
GLU     HB2      H        35498        0.34         3.37       2.02       0.21       
GLU     HB3      H        33378        0.27         3.47       2.00       0.21       
GLU     HG2      H        32832        0.53         3.77       2.27       0.21       
GLU     HG3      H        30588        0.56         3.83       2.25       0.21       
GLU     HE2      H        3            2.73         2.93       2.82       0.10       
GLU     C        C        36194      166.80       183.52     176.93       1.91       
GLU     CA       C        49045       44.35        66.94      57.35       2.07       
GLU     CB       C        45603       18.36        49.56      29.95       1.70       
GLU     CG       C        29033       25.31        54.83      36.10       1.21       
GLU     CD       C        532        173.41       189.46     182.25       2.47       
GLU     N        N        52968      101.34       138.60     120.71       3.44       

GLN     H        H        30438        3.51        12.04       8.22       0.58       
GLN     HA       H        21830        1.57         6.44       4.26       0.43       
GLN     HB2      H        19749       -0.13         4.00       2.05       0.25       
GLN     HB3      H        18809       -0.58         4.04       2.01       0.27       
GLN     HG2      H        18453       -0.11         4.44       2.31       0.26       
GLN     HG3      H        17068       -0.41         4.44       2.29       0.28       
GLN     HE21     H        13731        3.39        11.11       7.21       0.44       
GLN     HE22     H        13658        3.59        10.35       7.04       0.44       
GLN     C        C        19782      168.09       185.31     176.37       1.92       
GLN     CA       C        27251       43.45        66.60      56.61       2.11       
GLN     CB       C        25418       18.43        43.65      29.15       1.80       
GLN     CG       C        16229       21.64        51.08      33.78       1.12       
GLN     CD       C        1599       171.37       183.54     179.72       1.23       
GLN     N        N        28895      103.88       139.55     119.91       3.53       
GLN     NE2      N        12281       92.49       133.30     111.86       1.69       

GLY     H        H        52929        3.01        12.22       8.33       0.63       
GLY     HA2      H        37191        0.84         6.48       3.96       0.37       
GLY     HA3      H        35376        0.74         6.48       3.90       0.37       
GLY     C        C        33854      163.27       184.89     173.90       1.85       
GLY     CA       C        47027       33.15        60.91      45.36       1.31       
GLY     N        N        49272       93.60       162.19     109.59       3.70       

HIS     H        H        15039        3.97        12.39       8.25       0.68       
HIS     HA       H        11210        1.93         8.90       4.60       0.43       
HIS     HB2      H        10367       -0.04         8.70       3.10       0.35       
HIS     HB3      H        10068       -0.39         8.70       3.05       0.37       
HIS     HD1      H        457          2.73        17.20       8.56       2.47       
HIS     HD2      H        7251         3.65        10.35       7.00       0.41       
HIS     HE1      H        5680         3.21        10.88       7.96       0.48       
HIS     HE2      H        178          6.57        16.53       9.58       2.41       
HIS     C        C        9632       166.90       183.12     175.25       1.95       
HIS     CA       C        13689       43.31        77.56      56.51       2.32       
HIS     CB       C        12809       18.75        54.90      30.23       2.10       
HIS     CG       C        107        117.54       139.56     131.91       3.28       
HIS     CD2      C        4759       110.52       159.95     120.40       3.39       
HIS     CE1      C        3642       104.67       145.42     137.65       2.26       
HIS     N        N        14013      103.99       136.48     119.70       4.02       
HIS     ND1      N        242        164.31       229.14     193.24      18.31       
HIS     NE2      N        249        161.10       226.76     184.70      16.51       

ILE     H        H        37333        3.43        11.87       8.26       0.68       
ILE     HA       H        26728        1.32         6.36       4.16       0.55       
ILE     HB       H        25042       -1.28         3.87       1.78       0.29       
ILE     HG12     H        22623       -2.12         2.69       1.27       0.40       
ILE     HG13     H        21755       -2.07         2.99       1.20       0.41       
ILE     HG2      H        23802       -1.47         2.20       0.78       0.27       
ILE     HD1      H        24369       -1.47         2.82       0.68       0.29       
ILE     C        C        24216      166.40       187.55     175.93       1.90       
ILE     CA       C        33159       43.84        71.86      61.67       2.68       
ILE     CB       C        30869       18.10        51.88      38.56       2.00       
ILE     CG1      C        19744        8.77        39.05      27.73       1.71       
ILE     CG2      C        20931        3.45        37.01      17.52       1.35       
ILE     CD1      C        21422        4.94        29.60      13.40       1.67       
ILE     N        N        35361       99.00       138.12     121.40       4.23       

LEU     H        H        62230        2.74        13.22       8.22       0.63       
LEU     HA       H        44242        1.72         6.42       4.30       0.46       
LEU     HB2      H        40502       -1.21         4.13       1.61       0.34       
LEU     HB3      H        38776       -1.41         3.23       1.52       0.36       
LEU     HG       H        35698       -1.06         3.90       1.51       0.33       
LEU     HD1      H        40394       -1.73         2.36       0.75       0.28       
LEU     HD2      H        38792       -1.65         2.67       0.73       0.28       
LEU     C        C        40237      166.22       189.78     177.07       1.94       
LEU     CA       C        55093       42.69        67.88      55.69       2.12       
LEU     CB       C        51442       26.40        53.70      42.25       1.85       
LEU     CG       C        30909       15.30        38.62      26.78       1.11       
LEU     CD1      C        34492       10.95        36.85      24.66       1.59       
LEU     CD2      C        32842        9.86        30.40      24.07       1.69       
LEU     N        N        58753       98.56       177.62     121.82       3.85       

LYS     H        H        51964        4.11        12.03       8.17       0.59       
LYS     HA       H        37932        0.68         6.17       4.26       0.43       
LYS     HB2      H        33736       -0.58         4.05       1.78       0.24       
LYS     HB3      H        31875       -0.72         4.00       1.75       0.26       
LYS     HG2      H        30501       -0.98         3.61       1.37       0.25       
LYS     HG3      H        28175       -1.11         3.61       1.35       0.27       
LYS     HD2      H        27056       -1.68         3.19       1.60       0.21       
LYS     HD3      H        24407       -1.02         3.19       1.60       0.22       
LYS     HE2      H        26752        1.23         4.43       2.91       0.19       
LYS     HE3      H        23582        1.17         4.55       2.91       0.20       
LYS     HZ       H        958          1.95         9.90       7.39       0.66       
LYS     C        C        32673      166.63       185.00     176.72       1.92       
LYS     CA       C        44944       40.73        65.87      56.98       2.18       
LYS     CB       C        41733       21.19        46.60      32.76       1.77       
LYS     CG       C        26015       16.85        40.50      24.89       1.15       
LYS     CD       C        24521       15.37        42.70      28.95       1.12       
LYS     CE       C        23689       25.24        56.00      41.88       0.89       
LYS     N        N        48305      101.10       140.30     121.03       3.70       
LYS     NZ       N        65          29.48        43.69      33.14       1.74       

MET     H        H        14832        4.87        12.46       8.25       0.58       
MET     HA       H        11000        1.13         6.35       4.39       0.46       
MET     HB2      H        9808        -1.05         4.07       2.02       0.33       
MET     HB3      H        9221        -0.99         3.47       1.99       0.34       
MET     HG2      H        8989        -0.42         4.40       2.42       0.35       
MET     HG3      H        8490        -0.47         4.24       2.39       0.38       
MET     HE       H        6583        -0.71         8.38       1.89       0.40       
MET     C        C        9793       167.40       183.16     176.25       2.07       
MET     CA       C        13776       43.28        66.86      56.16       2.21       
MET     CB       C        12699       20.36        46.46      32.92       2.17       
MET     CG       C        7514        15.94        51.70      32.03       1.29       
MET     CE       C        5887        10.50        44.10      17.11       1.69       
MET     N        N        14173      102.88       138.55     120.10       3.49       

PHE     H        H        26400        3.55        12.18       8.34       0.71       
PHE     HA       H        18611        1.78         6.87       4.61       0.56       
PHE     HB2      H        17249        0.16         4.46       2.99       0.37       
PHE     HB3      H        16841       -0.21         4.69       2.94       0.39       
PHE     HD1      H        14350        4.47         8.15       7.06       0.31       
PHE     HD2      H        12297        4.47         8.15       7.06       0.31       
PHE     HE1      H        12471        4.38         8.80       7.08       0.31       
PHE     HE2      H        10838        4.38         8.80       7.08       0.31       
PHE     HZ       H        8800         4.32         9.50       6.99       0.41       
PHE     C        C        16823      166.85       184.93     175.49       1.98       
PHE     CA       C        23053       36.03        69.82      58.13       2.58       
PHE     CB       C        21580       25.52        55.62      39.92       2.06       
PHE     CG       C        203        127.24       152.84     138.44       2.85       
PHE     CD1      C        8435       116.95       143.16     131.59       1.22       
PHE     CD2      C        6266       115.55       138.70     131.59       1.21       
PHE     CE1      C        7354       114.75       139.56     130.74       1.31       
PHE     CE2      C        5463       114.70       139.70     130.77       1.20       
PHE     CZ       C        5634       115.10       139.13     129.21       1.48       
PHE     N        N        24797      102.20       139.02     120.37       4.13       

PRO     HA       H        21407        1.04         8.08       4.39       0.33       
PRO     HB2      H        19792       -0.75         4.59       2.07       0.35       
PRO     HB3      H        19214       -0.58         3.79       2.00       0.35       
PRO     HG2      H        17869       -0.77         4.42       1.92       0.31       
PRO     HG3      H        16574       -0.73         4.42       1.90       0.32       
PRO     HD2      H        18294        0.63         5.36       3.65       0.35       
PRO     HD3      H        17643        0.34         5.36       3.61       0.38       
PRO     C        C        17893      168.38       182.84     176.76       1.50       
PRO     CA       C        25638       31.80        72.28      63.35       1.56       
PRO     CB       C        23869       20.91        56.76      31.84       1.20       
PRO     CG       C        15915       18.28        50.75      27.19       1.12       
PRO     CD       C        15901       26.92        58.81      50.33       1.06       
PRO     N        N        852        110.49       145.26     134.77       6.03       

SER     H        H        45453        2.32        13.13       8.28       0.58       
SER     HA       H        33259        1.28         6.85       4.47       0.40       
SER     HB2      H        30320        1.70         5.45       3.87       0.25       
SER     HB3      H        28095        1.55         5.45       3.85       0.27       
SER     HG       H        482          0.13         8.97       5.39       1.04       
SER     C        C        29408      164.47       197.10     174.66       1.74       
SER     CA       C        41013       45.13        73.19      58.75       2.08       
SER     CB       C        37915       31.20        76.39      63.79       1.52       
SER     N        N        42591       95.97       133.68     116.27       3.49       

THR     H        H        39840        5.32        11.82       8.24       0.62       
THR     HA       H        28582        1.65         7.47       4.45       0.47       
THR     HB       H        25915        0.92         8.35       4.16       0.32       
THR     HG1      H        831          0.32         9.01       5.16       1.17       
THR     HG2      H        25734       -1.21         3.40       1.14       0.22       
THR     C        C        25251      165.50       184.43     174.57       1.73       
THR     CA       C        34906       48.01        72.80      62.26       2.60       
THR     CB       C        32266       29.97        81.53      69.70       1.75       
THR     CG2      C        21276       11.70        36.73      21.55       1.11       
THR     N        N        37497       95.77       138.27     115.36       4.71       

TRP     H        H        8470         5.16        11.76       8.27       0.77       
TRP     HA       H        5964         2.24         6.55       4.66       0.52       
TRP     HB2      H        5610         0.68         4.54       3.19       0.35       
TRP     HB3      H        5447         0.26         4.44       3.12       0.37       
TRP     HD1      H        4998         4.60         8.93       7.14       0.34       
TRP     HE1      H        5541         5.12        14.39      10.08       0.64       
TRP     HE3      H        4324         4.89         9.95       7.32       0.41       
TRP     HZ2      H        4665         4.66         8.60       7.28       0.32       
TRP     HZ3      H        4193         3.88         8.90       6.87       0.38       
TRP     HH2      H        4286         4.37        10.17       6.98       0.37       
TRP     C        C        5057       168.17       182.60     176.21       1.99       
TRP     CA       C        7036        43.50        81.00      57.74       2.55       
TRP     CB       C        6570        18.63        52.30      29.97       1.99       
TRP     CG       C        132        107.50       116.53     111.01       1.83       
TRP     CD1      C        3081       108.45       133.49     126.57       1.84       
TRP     CD2      C        101        120.20       132.62     127.81       1.63       
TRP     CE2      C        101        113.89       177.71     138.15       7.42       
TRP     CE3      C        2581        93.34       137.60     120.46       1.81       
TRP     CZ2      C        2940        81.81       134.70     114.26       1.44       
TRP     CZ3      C        2631        98.61       138.39     121.37       1.59       
TRP     CH2      C        2745        91.62       131.54     123.82       1.55       
TRP     N        N        7619       101.97       138.11     121.59       4.05       
TRP     NE1      N        4432       106.00       144.36     129.29       2.09       

TYR     H        H        22158        4.16        12.34       8.30       0.73       
TYR     HA       H        15957        1.19         6.83       4.60       0.56       
TYR     HB2      H        14732       -0.49         4.70       2.90       0.37       
TYR     HB3      H        14400       -0.19         4.70       2.84       0.39       
TYR     HD1      H        12766        4.68         8.54       6.93       0.30       
TYR     HD2      H        11113        4.43         8.54       6.93       0.30       
TYR     HE1      H        12124        4.58         7.85       6.70       0.23       
TYR     HE2      H        10656        4.56         8.50       6.70       0.23       
TYR     HH       H        216         -0.79        13.75       9.11       1.64       
TYR     C        C        13630      167.86       184.78     175.48       1.98       
TYR     CA       C        18960       44.64        69.56      58.18       2.51       
TYR     CB       C        17546       25.32        57.73      39.26       2.14       
TYR     CG       C        175        117.70       144.30     129.60       2.55       
TYR     CD1      C        7556       115.30       141.57     132.73       1.34       
TYR     CD2      C        5438       113.00       139.47     132.70       1.50       
TYR     CE1      C        7515       110.70       137.42     117.94       1.28       
TYR     CE2      C        5379       106.55       135.82     117.91       1.25       
TYR     CZ       C        139        153.54       160.45     156.87       1.49       
TYR     N        N        20298      100.09       144.96     120.50       4.10       

VAL     H        H        48798        3.98        12.59       8.28       0.67       
VAL     HA       H        35068        0.97         6.30       4.16       0.57       
VAL     HB       H        32477       -1.24         3.76       1.98       0.31       
VAL     HG1      H        32177       -1.13         2.57       0.83       0.26       
VAL     HG2      H        31539       -2.32         3.32       0.80       0.28       
VAL     C        C        31923      165.65       183.95     175.71       1.86       
VAL     CA       C        43296       44.98        70.34      62.57       2.85       
VAL     CB       C        39982       20.29        45.33      32.70       1.78       
VAL     CG1      C        27641       12.07        32.27      21.51       1.37       
VAL     CG2      C        26651       11.38        33.12      21.28       1.54       
VAL     N        N        46481       97.22       143.29     121.09       4.45