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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 8350700 possible chemical shifts in the BMRB database, 6306491 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: 11-18-2018
Amino   Atom    Atom     Number     Minimum     Maximum    Average    Standard    
Acid    Name    Type    of Shifts    Shift       Shift      Shift     Deviation   

ALA     H        H        59367        3.53        12.11       8.19       0.58       
ALA     HA       H        41026        0.87         6.51       4.24       0.43       
ALA     HB       H        38810       -0.83         3.12       1.36       0.24       
ALA     C        C        39076      164.48       187.20     177.81       2.06       
ALA     CA       C        53179       39.92        68.49      53.18       1.95       
ALA     CB       C        49895        6.61        43.14      18.96       1.78       
ALA     N        N        56588       98.05       142.81     123.31       3.46       

ARG     H        H        39509        3.57        12.69       8.23       0.61       
ARG     HA       H        27815        1.29         6.62       4.29       0.45       
ARG     HB2      H        25072       -0.61         3.74       1.80       0.26       
ARG     HB3      H        23739       -0.74         3.74       1.77       0.27       
ARG     HG2      H        22371       -0.64         3.51       1.57       0.26       
ARG     HG3      H        20770       -0.74         3.51       1.55       0.28       
ARG     HD2      H        21951        1.04         4.85       3.12       0.23       
ARG     HD3      H        20019        0.85         4.69       3.10       0.25       
ARG     HE       H        6635         2.20        11.88       7.36       0.58       
ARG     HH11     H        588          5.88        10.07       6.90       0.46       
ARG     HH12     H        456          5.92        10.73       6.86       0.48       
ARG     HH21     H        512          4.85        11.35       6.82       0.48       
ARG     HH22     H        410          5.92        10.19       6.82       0.49       
ARG     C        C        24499      167.44       184.51     176.48       2.00       
ARG     CA       C        34266       35.70        67.98      56.81       2.30       
ARG     CB       C        31802       20.78        42.50      30.64       1.80       
ARG     CG       C        18756       18.22        49.39      27.22       1.21       
ARG     CD       C        18934       27.12        50.88      43.15       0.92       
ARG     CZ       C        497        113.28       179.92     160.03       3.78       
ARG     N        N        36567      102.43       137.60     120.82       3.63       
ARG     NE       N        3980        67.00        99.81      84.59       1.63       
ARG     NH1      N        120         67.60        87.82      74.30       5.15       
ARG     NH2      N        107         69.26        87.83      72.73       2.99       

ASP     H        H        46794        4.06        12.68       8.30       0.56       
ASP     HA       H        32318        2.33         6.67       4.58       0.31       
ASP     HB2      H        29955       -0.39         4.60       2.71       0.26       
ASP     HB3      H        28735       -0.23         4.58       2.66       0.27       
ASP     HD2      H        2            4.65         9.29       6.97       3.28       
ASP     C        C        30024      166.80       182.70     176.44       1.70       
ASP     CA       C        41537       41.11        67.17      54.69       2.03       
ASP     CB       C        39143       26.50        58.51      40.87       1.61       
ASP     CG       C        504        170.72       186.50     179.33       1.81       
ASP     N        N        44763      101.90       143.52     120.70       3.79       

ASN     H        H        32890        3.46        12.68       8.32       0.61       
ASN     HA       H        23254        2.04         6.60       4.66       0.35       
ASN     HB2      H        21656        0.22         4.47       2.80       0.31       
ASN     HB3      H        20840       -0.07         4.77       2.75       0.33       
ASN     HD21     H        15983        2.06        10.92       7.32       0.48       
ASN     HD22     H        15757        2.58        10.92       7.15       0.50       
ASN     C        C        20874      167.75       185.30     175.30       1.76       
ASN     CA       C        29160       41.20        66.21      53.55       1.86       
ASN     CB       C        27525       23.16        57.35      38.69       1.66       
ASN     CG       C        1772       166.40       183.80     176.79       1.37       
ASN     N        N        30722      101.71       137.49     118.92       3.92       
ASN     ND2      N        13695       99.40       134.50     112.76       2.27       

CYS     H        H        16498        4.38        12.66       8.38       0.68       
CYS     HA       H        13474        1.64         6.45       4.65       0.54       
CYS     HB2      H        12954       -0.54         4.72       2.95       0.44       
CYS     HB3      H        12633       -0.83         4.77       2.89       0.45       
CYS     HG       H        165         -1.83         7.39       1.96       1.20       
CYS     C        C        8122       166.73       187.59     174.89       2.04       
CYS     CA       C        11796       41.51        68.07      58.13       3.43       
CYS     CB       C        11173       17.99        63.89      33.15       6.39       
CYS     N        N        12855      100.48       138.68     120.12       4.47       

GLU     H        H        61179        4.29        12.69       8.33       0.58       
GLU     HA       H        42494        1.39         6.32       4.24       0.40       
GLU     HB2      H        38172        0.34         3.37       2.02       0.21       
GLU     HB3      H        35864        0.27         3.47       2.00       0.21       
GLU     HG2      H        35179        0.53         3.77       2.27       0.21       
GLU     HG3      H        32795        0.56         3.83       2.25       0.21       
GLU     HE2      H        3            2.73         2.93       2.82       0.10       
GLU     C        C        40084      166.80       183.52     176.94       1.90       
GLU     CA       C        54504       41.96        70.38      57.34       2.07       
GLU     CB       C        50663       18.36        49.56      29.96       1.70       
GLU     CG       C        31367       25.06        54.83      36.11       1.20       
GLU     CD       C        572        173.41       189.46     182.28       2.43       
GLU     N        N        58848      101.34       138.60     120.74       3.44       

GLN     H        H        33983        3.51        12.22       8.22       0.57       
GLN     HA       H        23672        1.57         6.44       4.26       0.43       
GLN     HB2      H        21368       -0.12         4.00       2.05       0.25       
GLN     HB3      H        20339       -0.56         4.04       2.01       0.27       
GLN     HG2      H        19867       -0.21         4.44       2.31       0.26       
GLN     HG3      H        18393       -0.41         4.44       2.29       0.28       
GLN     HE21     H        14728        3.39        11.11       7.22       0.44       
GLN     HE22     H        14652        3.59        10.35       7.04       0.43       
GLN     C        C        22152      168.09       185.31     176.36       1.91       
GLN     CA       C        30587       43.45        66.60      56.59       2.10       
GLN     CB       C        28512       18.43        43.65      29.17       1.80       
GLN     CG       C        17581       21.64        51.08      33.78       1.11       
GLN     CD       C        1705       171.37       183.54     179.72       1.22       
GLN     N        N        32423      103.88       139.55     119.95       3.53       
GLN     NE2      N        13204       92.49       133.30     111.87       1.69       

GLY     H        H        58806        3.34        12.22       8.33       0.63       
GLY     HA2      H        39936        0.84         6.98       3.96       0.37       
GLY     HA3      H        37989        0.74         6.98       3.90       0.37       
GLY     C        C        37875      163.27       185.57     173.91       1.83       
GLY     CA       C        52675       33.15        60.91      45.37       1.30       
GLY     N        N        55157       93.60       162.19     109.59       3.67       

HIS     H        H        16595        3.97        12.39       8.25       0.67       
HIS     HA       H        11956        1.93         8.90       4.60       0.43       
HIS     HB2      H        11050       -0.04         8.70       3.11       0.35       
HIS     HB3      H        10717       -0.39         8.70       3.05       0.37       
HIS     HD1      H        492          2.73        17.20       8.55       2.45       
HIS     HD2      H        7719         3.65         9.42       7.00       0.41       
HIS     HE1      H        6029         3.21        10.88       7.96       0.48       
HIS     HE2      H        197          6.57        16.53       9.53       2.35       
HIS     C        C        10572      166.90       183.12     175.26       1.95       
HIS     CA       C        15156       43.31        77.56      56.51       2.32       
HIS     CB       C        14161       18.75        54.90      30.25       2.11       
HIS     CG       C        123        117.54       139.56     131.92       3.22       
HIS     CD2      C        5104       110.52       159.95     120.38       3.36       
HIS     CE1      C        3941       104.67       145.42     137.64       2.24       
HIS     N        N        15547      103.99       136.48     119.70       4.02       
HIS     ND1      N        286        162.88       229.14     193.49      18.79       
HIS     NE2      N        293        161.10       226.76     185.42      17.16       

ILE     H        H        41227        3.42        11.87       8.26       0.68       
ILE     HA       H        28764        1.32         6.36       4.16       0.55       
ILE     HB       H        26953       -1.28         3.87       1.78       0.29       
ILE     HG12     H        24345       -2.12         2.85       1.28       0.40       
ILE     HG13     H        23385       -2.07         2.99       1.20       0.41       
ILE     HG2      H        25609       -1.47         2.20       0.78       0.27       
ILE     HD1      H        26438       -1.47         2.82       0.68       0.28       
ILE     C        C        26779      166.40       187.55     175.93       1.90       
ILE     CA       C        36837       43.84        71.86      61.67       2.68       
ILE     CB       C        34259       18.10        51.88      38.56       2.00       
ILE     CG1      C        21506        8.77        42.09      27.75       1.70       
ILE     CG2      C        22721        3.45        37.01      17.53       1.34       
ILE     CD1      C        23481        4.94        29.60      13.41       1.66       
ILE     N        N        39250       99.00       138.12     121.42       4.22       

LEU     H        H        68653        4.08        13.22       8.22       0.63       
LEU     HA       H        47585        1.72         6.42       4.30       0.46       
LEU     HB2      H        43505       -1.21         4.13       1.61       0.34       
LEU     HB3      H        41676       -1.41         3.23       1.52       0.36       
LEU     HG       H        38281       -1.06         3.90       1.51       0.33       
LEU     HD1      H        43408       -1.73         2.36       0.75       0.27       
LEU     HD2      H        41664       -1.92         2.15       0.73       0.28       
LEU     C        C        44501      166.22       189.78     177.08       1.93       
LEU     CA       C        61143       42.69        67.88      55.69       2.12       
LEU     CB       C        56965       26.88        53.70      42.25       1.85       
LEU     CG       C        33449       15.30        38.62      26.78       1.09       
LEU     CD1      C        37309       10.95        36.85      24.66       1.59       
LEU     CD2      C        35516        9.86        32.52      24.07       1.69       
LEU     N        N        65144       98.56       177.62     121.84       3.85       

LYS     H        H        57439        4.11        12.03       8.18       0.60       
LYS     HA       H        40949        0.68         6.25       4.26       0.43       
LYS     HB2      H        36429       -0.30         3.82       1.78       0.24       
LYS     HB3      H        34428       -0.45         3.82       1.75       0.26       
LYS     HG2      H        32898       -0.69         3.13       1.37       0.25       
LYS     HG3      H        30430       -0.87         3.05       1.35       0.27       
LYS     HD2      H        29195       -1.68         3.19       1.61       0.21       
LYS     HD3      H        26372       -0.53         3.19       1.60       0.21       
LYS     HE2      H        28898        0.67         4.43       2.91       0.20       
LYS     HE3      H        25517        1.17         4.55       2.91       0.20       
LYS     HZ       H        1016         1.95         9.90       7.38       0.66       
LYS     C        C        36128      166.63       185.00     176.73       1.91       
LYS     CA       C        49972       40.73        65.87      56.97       2.17       
LYS     CB       C        46425       21.19        46.60      32.76       1.77       
LYS     CG       C        28278       16.85        40.50      24.90       1.14       
LYS     CD       C        26664       15.37        42.70      28.96       1.11       
LYS     CE       C        25700       25.24        56.00      41.88       0.88       
LYS     N        N        53664      101.10       140.30     121.04       3.69       
LYS     NZ       N        70          29.48        35.90      33.08       1.14       

MET     H        H        16359        4.87        12.46       8.25       0.58       
MET     HA       H        11826        1.13         6.35       4.39       0.46       
MET     HB2      H        10523       -1.05         4.07       2.02       0.33       
MET     HB3      H        9887        -0.99         3.47       1.99       0.34       
MET     HG2      H        9623        -0.42         4.40       2.42       0.35       
MET     HG3      H        9105        -0.47         4.24       2.39       0.38       
MET     HE       H        7110        -0.71         8.38       1.89       0.39       
MET     C        C        10906      167.40       183.16     176.27       2.05       
MET     CA       C        15301       43.28        66.86      56.17       2.20       
MET     CB       C        14079       20.36        46.46      32.93       2.17       
MET     CG       C        8132        15.94        51.70      32.03       1.27       
MET     CE       C        6410         9.70        44.10      17.09       1.67       
MET     N        N        15700      102.80       138.55     120.10       3.48       

PHE     H        H        29246        3.55        12.18       8.34       0.71       
PHE     HA       H        20000        1.33         6.87       4.61       0.56       
PHE     HB2      H        18498        0.16         4.46       3.00       0.37       
PHE     HB3      H        18077       -0.19         4.69       2.94       0.39       
PHE     HD1      H        15288        4.47         8.15       7.06       0.31       
PHE     HD2      H        13120        4.47         8.15       7.06       0.31       
PHE     HE1      H        13239        4.38         8.80       7.08       0.31       
PHE     HE2      H        11521        4.38         8.80       7.08       0.31       
PHE     HZ       H        9334         4.32         9.50       6.99       0.41       
PHE     C        C        18618      166.85       184.93     175.50       1.97       
PHE     CA       C        25720       36.03        69.82      58.13       2.58       
PHE     CB       C        24000       25.52        56.74      39.92       2.06       
PHE     CG       C        235        127.24       152.84     138.46       2.80       
PHE     CD1      C        9133       116.95       143.16     131.58       1.22       
PHE     CD2      C        6682       115.55       138.70     131.57       1.22       
PHE     CE1      C        7919       114.75       139.56     130.73       1.32       
PHE     CE2      C        5792       114.70       139.70     130.75       1.21       
PHE     CZ       C        6027       115.10       139.13     129.22       1.48       
PHE     N        N        27634      101.47       139.02     120.37       4.11       

PRO     HA       H        23020        1.04         8.08       4.39       0.33       
PRO     HB2      H        21260       -0.75         4.59       2.08       0.34       
PRO     HB3      H        20646       -0.58         3.79       2.00       0.35       
PRO     HG2      H        19040       -0.60         4.42       1.93       0.31       
PRO     HG3      H        17683       -0.73         4.42       1.90       0.32       
PRO     HD2      H        19479        0.63         5.36       3.65       0.35       
PRO     HD3      H        18796        0.34         5.36       3.62       0.38       
PRO     C        C        20022      168.38       182.84     176.77       1.47       
PRO     CA       C        28452       48.56        72.28      63.35       1.52       
PRO     CB       C        26473       20.91        56.76      31.85       1.18       
PRO     CG       C        17145       18.28        50.75      27.20       1.10       
PRO     CD       C        17126       26.92        58.81      50.34       1.05       
PRO     N        N        1164       110.49       145.74     135.36       5.44       

SER     H        H        50399        3.76        12.52       8.28       0.57       
SER     HA       H        35693        1.28         6.85       4.47       0.40       
SER     HB2      H        32502        1.70         5.45       3.87       0.25       
SER     HB3      H        30078        1.16         5.45       3.85       0.27       
SER     HG       H        564          0.13         8.97       5.36       1.06       
SER     C        C        32760      164.47       197.10     174.65       1.72       
SER     CA       C        45809       45.13        73.19      58.73       2.07       
SER     CB       C        42269       31.40        76.39      63.80       1.51       
SER     N        N        47538       95.97       133.68     116.29       3.48       

THR     H        H        44402        5.32        11.80       8.24       0.62       
THR     HA       H        30934        1.65         7.47       4.45       0.47       
THR     HB       H        28048        0.92         8.35       4.16       0.32       
THR     HG1      H        959         -1.78         9.01       5.08       1.29       
THR     HG2      H        27729       -0.97         3.28       1.14       0.21       
THR     C        C        28300      165.50       184.43     174.58       1.72       
THR     CA       C        39289       43.39        72.80      62.24       2.58       
THR     CB       C        36265       29.97        81.53      69.71       1.73       
THR     CG2      C        23227       11.70        35.09      21.55       1.10       
THR     N        N        42090       95.77       138.27     115.35       4.71       

TRP     H        H        9283         5.16        11.76       8.27       0.77       
TRP     HA       H        6344         2.04         6.58       4.66       0.52       
TRP     HB2      H        5947         0.68         4.54       3.19       0.34       
TRP     HB3      H        5770         0.26         4.44       3.12       0.36       
TRP     HD1      H        5264         4.60         8.93       7.14       0.34       
TRP     HE1      H        5852         4.69        13.49      10.07       0.64       
TRP     HE3      H        4548         4.89         9.95       7.32       0.41       
TRP     HZ2      H        4903         4.66         8.56       7.28       0.32       
TRP     HZ3      H        4398         3.88         8.90       6.87       0.37       
TRP     HH2      H        4516         4.37        10.17       6.98       0.36       
TRP     C        C        5612       168.17       182.60     176.21       1.98       
TRP     CA       C        7823        43.50        81.00      57.72       2.53       
TRP     CB       C        7286        18.63        52.30      29.96       1.99       
TRP     CG       C        143        107.50       116.53     111.06       1.79       
TRP     CD1      C        3283       108.45       135.60     126.55       1.86       
TRP     CD2      C        114        120.00       132.62     127.77       1.88       
TRP     CE2      C        117        113.89       177.71     138.11       6.95       
TRP     CE3      C        2734        93.34       137.60     120.47       1.82       
TRP     CZ2      C        3129        81.81       134.70     114.26       1.44       
TRP     CZ3      C        2775        98.61       138.39     121.37       1.59       
TRP     CH2      C        2922        91.62       131.54     123.81       1.57       
TRP     N        N        8418       101.97       138.11     121.57       4.06       
TRP     NE1      N        4710       106.00       139.73     129.28       2.05       

TYR     H        H        24639        4.16        12.34       8.30       0.72       
TYR     HA       H        17106        1.19         6.83       4.60       0.56       
TYR     HB2      H        15788       -0.49         4.70       2.90       0.37       
TYR     HB3      H        15422       -0.19         4.70       2.84       0.39       
TYR     HD1      H        13581        4.68         8.54       6.93       0.29       
TYR     HD2      H        11839        4.43         8.54       6.93       0.29       
TYR     HE1      H        12892        4.58         7.85       6.70       0.22       
TYR     HE2      H        11319        4.56         8.50       6.70       0.23       
TYR     HH       H        237         -0.79        13.75       9.13       1.59       
TYR     C        C        15182      167.86       184.78     175.51       1.95       
TYR     CA       C        21200       44.64        69.56      58.19       2.49       
TYR     CB       C        19606       25.32        57.73      39.27       2.14       
TYR     CG       C        216        117.70       144.30     129.56       2.49       
TYR     CD1      C        8150       115.30       141.57     132.72       1.35       
TYR     CD2      C        5798       113.00       139.47     132.69       1.52       
TYR     CE1      C        8087       110.70       137.42     117.95       1.28       
TYR     CE2      C        5711       106.55       135.82     117.91       1.29       
TYR     CZ       C        155        153.54       160.45     156.82       1.47       
TYR     N        N        22765      100.09       144.96     120.49       4.09       

VAL     H        H        54028        3.98        12.59       8.27       0.66       
VAL     HA       H        37701        0.97         6.30       4.16       0.57       
VAL     HB       H        34891       -1.24         3.76       1.98       0.31       
VAL     HG1      H        34600       -1.13         2.57       0.83       0.26       
VAL     HG2      H        33863       -2.32         3.32       0.80       0.28       
VAL     C        C        35342      165.65       183.95     175.72       1.85       
VAL     CA       C        48222       44.98        70.34      62.55       2.84       
VAL     CB       C        44439       18.97        45.33      32.70       1.77       
VAL     CG1      C        29997       12.07        32.27      21.52       1.36       
VAL     CG2      C        28891       11.38        33.12      21.29       1.53       
VAL     N        N        51748       97.22       143.29     121.09       4.43