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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 8133234 possible chemical shifts in the BMRB database, 6122899 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: 05-03-2018
Amino   Atom    Atom     Number     Minimum     Maximum    Average    Standard    
Acid    Name    Type    of Shifts    Shift       Shift      Shift     Deviation   

ALA     H        H        57442        3.53        12.11       8.19       0.58       
ALA     HA       H        40101        0.87         6.51       4.24       0.43       
ALA     HB       H        37822       -0.83         3.12       1.36       0.24       
ALA     C        C        37757      164.48       187.20     177.81       2.06       
ALA     CA       C        51390       39.92        67.02      53.18       1.93       
ALA     CB       C        48163        6.61        43.14      18.97       1.78       
ALA     N        N        54660       98.05       142.81     123.31       3.46       

ARG     H        H        38170        3.57        12.69       8.23       0.61       
ARG     HA       H        27209        1.29         6.62       4.29       0.45       
ARG     HB2      H        24516       -0.61         3.74       1.80       0.26       
ARG     HB3      H        23195       -0.74         3.74       1.76       0.27       
ARG     HG2      H        21856       -0.64         3.51       1.57       0.27       
ARG     HG3      H        20279       -0.74         3.51       1.55       0.28       
ARG     HD2      H        21438        1.04         4.69       3.12       0.23       
ARG     HD3      H        19553        0.85         4.69       3.10       0.25       
ARG     HE       H        6496         2.20        11.88       7.36       0.58       
ARG     HH11     H        577          5.88        10.07       6.90       0.46       
ARG     HH12     H        445          5.92        10.73       6.87       0.49       
ARG     HH21     H        499          4.85        11.35       6.82       0.49       
ARG     HH22     H        404          5.92        10.19       6.83       0.49       
ARG     C        C        23645      167.44       184.51     176.48       2.00       
ARG     CA       C        33049       35.70        67.98      56.81       2.29       
ARG     CB       C        30640       20.78        42.50      30.64       1.80       
ARG     CG       C        18270       18.22        49.39      27.22       1.20       
ARG     CD       C        18462       23.59        50.88      43.15       0.93       
ARG     CZ       C        484        113.28       179.92     160.02       3.79       
ARG     N        N        35256      102.78       137.60     120.82       3.63       
ARG     NE       N        3896        67.00        99.81      84.60       1.62       
ARG     NH1      N        118         67.60        87.82      74.36       5.17       
ARG     NH2      N        107         69.26        87.83      72.73       2.99       

ASP     H        H        45197        4.06        12.68       8.30       0.56       
ASP     HA       H        31500        2.33         6.67       4.58       0.31       
ASP     HB2      H        29198       -0.39         4.60       2.71       0.26       
ASP     HB3      H        28020       -0.23         4.58       2.66       0.27       
ASP     HD2      H        2            4.65         9.29       6.97       3.28       
ASP     C        C        28984      166.80       182.70     176.44       1.70       
ASP     CA       C        40103       41.11        67.17      54.70       2.02       
ASP     CB       C        37757       26.50        58.51      40.87       1.61       
ASP     CG       C        493        170.72       186.50     179.32       1.82       
ASP     N        N        43181      101.90       143.52     120.69       3.78       

ASN     H        H        31750        3.46        12.68       8.32       0.61       
ASN     HA       H        22673        2.04         6.60       4.66       0.35       
ASN     HB2      H        21117        0.22         4.47       2.80       0.31       
ASN     HB3      H        20317       -0.07         4.77       2.75       0.33       
ASN     HD21     H        15566        2.06        10.92       7.32       0.48       
ASN     HD22     H        15343        2.58        10.92       7.15       0.50       
ASN     C        C        20138      167.75       185.30     175.30       1.76       
ASN     CA       C        28114       41.20        66.21      53.55       1.86       
ASN     CB       C        26513       26.45        57.35      38.70       1.66       
ASN     CG       C        1748       166.40       183.80     176.79       1.38       
ASN     N        N        29616      101.71       137.49     118.91       3.92       
ASN     ND2      N        13322       99.40       134.50     112.76       2.27       

CYS     H        H        15950        4.38        12.66       8.38       0.68       
CYS     HA       H        13130        1.64         6.45       4.65       0.54       
CYS     HB2      H        12619       -0.54         4.72       2.95       0.44       
CYS     HB3      H        12300       -0.83         4.77       2.89       0.45       
CYS     HG       H        154         -1.83         7.39       1.93       1.21       
CYS     C        C        7806       166.73       187.59     174.91       2.04       
CYS     CA       C        11326       41.51        68.07      58.15       3.42       
CYS     CB       C        10725       17.99        63.89      33.08       6.36       
CYS     N        N        12345      100.48       138.68     120.12       4.49       

GLU     H        H        59110        4.29        12.69       8.33       0.58       
GLU     HA       H        41508        1.39         6.32       4.24       0.40       
GLU     HB2      H        37291        0.34         3.37       2.02       0.21       
GLU     HB3      H        35035        0.27         3.47       2.00       0.21       
GLU     HG2      H        34355        0.53         3.77       2.27       0.21       
GLU     HG3      H        31993        0.56         3.83       2.25       0.21       
GLU     HE2      H        3            2.73         2.93       2.82       0.10       
GLU     C        C        38752      166.80       183.52     176.93       1.90       
GLU     CA       C        52701       44.35        70.38      57.35       2.07       
GLU     CB       C        48957       18.36        49.56      29.97       1.70       
GLU     CG       C        30542       25.06        54.83      36.11       1.20       
GLU     CD       C        566        173.41       189.46     182.28       2.43       
GLU     N        N        56787      101.34       138.60     120.73       3.44       

GLN     H        H        32701        3.51        12.22       8.22       0.58       
GLN     HA       H        23048        1.57         6.44       4.26       0.42       
GLN     HB2      H        20815       -0.13         4.00       2.05       0.25       
GLN     HB3      H        19811       -0.57         4.04       2.01       0.27       
GLN     HG2      H        19350       -0.11         4.44       2.31       0.26       
GLN     HG3      H        17892       -0.41         4.44       2.29       0.28       
GLN     HE21     H        14340        3.39        11.11       7.22       0.44       
GLN     HE22     H        14265        3.59        10.35       7.04       0.43       
GLN     C        C        21294      168.09       185.31     176.36       1.91       
GLN     CA       C        29434       43.45        66.60      56.59       2.10       
GLN     CB       C        27408       18.43        43.65      29.17       1.80       
GLN     CG       C        17097       21.64        51.08      33.78       1.11       
GLN     CD       C        1665       171.37       183.54     179.73       1.23       
GLN     N        N        31173      103.88       139.55     119.94       3.53       
GLN     NE2      N        12835       92.49       133.30     111.86       1.68       

GLY     H        H        56961        3.34        12.22       8.33       0.63       
GLY     HA2      H        39109        0.84         6.98       3.96       0.37       
GLY     HA3      H        37143        0.74         6.98       3.90       0.37       
GLY     C        C        36660      163.27       184.89     173.90       1.84       
GLY     CA       C        51016       33.15        60.91      45.37       1.30       
GLY     N        N        53328       93.60       162.19     109.59       3.68       

HIS     H        H        16036        3.97        12.39       8.24       0.68       
HIS     HA       H        11686        1.93         8.90       4.60       0.43       
HIS     HB2      H        10804       -0.04         8.70       3.10       0.35       
HIS     HB3      H        10473       -0.39         8.70       3.05       0.37       
HIS     HD1      H        486          2.73        17.20       8.54       2.44       
HIS     HD2      H        7528         3.65         9.42       7.00       0.41       
HIS     HE1      H        5884         3.21        10.88       7.96       0.48       
HIS     HE2      H        190          6.57        16.53       9.58       2.38       
HIS     C        C        10243      166.90       183.12     175.26       1.94       
HIS     CA       C        14634       43.31        77.56      56.51       2.31       
HIS     CB       C        13660       18.75        54.90      30.25       2.10       
HIS     CG       C        120        117.54       139.56     131.96       3.25       
HIS     CD2      C        4971       110.52       159.95     120.38       3.36       
HIS     CE1      C        3821       104.67       145.42     137.64       2.25       
HIS     N        N        15011      103.99       136.48     119.69       4.02       
HIS     ND1      N        252        164.31       229.14     193.53      18.55       
HIS     NE2      N        260        161.10       226.76     184.51      16.44       

ILE     H        H        39876        3.75        11.87       8.27       0.68       
ILE     HA       H        28085        1.32         6.36       4.16       0.55       
ILE     HB       H        26305       -1.28         3.87       1.78       0.29       
ILE     HG12     H        23749       -2.12         2.85       1.28       0.40       
ILE     HG13     H        22829       -2.07         2.99       1.20       0.41       
ILE     HG2      H        24986       -1.47         2.20       0.78       0.27       
ILE     HD1      H        25662       -1.47         2.82       0.68       0.28       
ILE     C        C        25906      166.40       187.55     175.93       1.90       
ILE     CA       C        35598       43.84        71.86      61.68       2.68       
ILE     CB       C        33102       18.10        51.88      38.57       2.00       
ILE     CG1      C        20908        8.77        42.09      27.75       1.70       
ILE     CG2      C        22130        3.45        37.26      17.53       1.35       
ILE     CD1      C        22726        4.94        32.92      13.41       1.67       
ILE     N        N        37907       99.00       138.12     121.42       4.23       

LEU     H        H        66443        4.08        13.22       8.22       0.63       
LEU     HA       H        46504        1.72         6.42       4.30       0.46       
LEU     HB2      H        42538       -1.21         4.13       1.61       0.34       
LEU     HB3      H        40706       -1.41         3.23       1.52       0.36       
LEU     HG       H        37382       -1.06         3.90       1.51       0.33       
LEU     HD1      H        42332       -1.73         2.36       0.75       0.27       
LEU     HD2      H        40658       -1.74         2.15       0.73       0.28       
LEU     C        C        43051      166.22       189.78     177.07       1.93       
LEU     CA       C        59154       42.69        67.88      55.69       2.11       
LEU     CB       C        55091       26.40        53.70      42.25       1.85       
LEU     CG       C        32557       15.30        38.62      26.78       1.09       
LEU     CD1      C        36299       10.95        36.85      24.66       1.59       
LEU     CD2      C        34594        9.86        30.40      24.07       1.69       
LEU     N        N        62961       98.56       177.62     121.84       3.85       

LYS     H        H        55583        4.11        12.03       8.18       0.60       
LYS     HA       H        39931        0.68         6.25       4.26       0.43       
LYS     HB2      H        35524       -0.25         3.82       1.78       0.24       
LYS     HB3      H        33537       -0.45         3.82       1.75       0.26       
LYS     HG2      H        32062       -0.77         3.13       1.37       0.25       
LYS     HG3      H        29619       -0.87         3.05       1.35       0.27       
LYS     HD2      H        28450       -1.68         3.19       1.61       0.21       
LYS     HD3      H        25680       -0.57         3.19       1.60       0.21       
LYS     HE2      H        28152        1.23         4.43       2.91       0.19       
LYS     HE3      H        24858        1.17         4.55       2.91       0.20       
LYS     HZ       H        1005         1.95         9.90       7.38       0.66       
LYS     C        C        34970      166.63       185.00     176.72       1.91       
LYS     CA       C        48335       40.73        65.87      56.98       2.17       
LYS     CB       C        44854       21.19        46.60      32.77       1.77       
LYS     CG       C        27472       16.85        40.50      24.90       1.13       
LYS     CD       C        25909       15.37        42.70      28.96       1.11       
LYS     CE       C        24996       25.24        56.00      41.89       0.88       
LYS     N        N        51860      101.10       140.30     121.03       3.70       
LYS     NZ       N        70          29.48        35.90      33.08       1.14       

MET     H        H        15846        4.87        12.46       8.25       0.58       
MET     HA       H        11573        1.13         6.35       4.39       0.46       
MET     HB2      H        10301       -1.05         4.07       2.02       0.33       
MET     HB3      H        9669        -0.99         3.47       1.99       0.34       
MET     HG2      H        9407        -0.42         4.40       2.42       0.35       
MET     HG3      H        8901        -0.47         4.24       2.39       0.38       
MET     HE       H        6901        -0.71         8.38       1.89       0.40       
MET     C        C        10546      167.40       183.16     176.26       2.05       
MET     CA       C        14803       43.28        66.86      56.16       2.20       
MET     CB       C        13621       20.36        46.46      32.93       2.17       
MET     CG       C        7932        15.94        51.70      32.03       1.28       
MET     CE       C        6208        10.50        44.10      17.11       1.66       
MET     N        N        15192      102.80       138.55     120.11       3.48       

PHE     H        H        28248        3.55        12.18       8.34       0.71       
PHE     HA       H        19528        1.78         6.87       4.61       0.56       
PHE     HB2      H        18084        0.16         4.46       3.00       0.37       
PHE     HB3      H        17655       -0.19         4.69       2.94       0.39       
PHE     HD1      H        14967        4.47         8.15       7.06       0.31       
PHE     HD2      H        12817        4.47         8.15       7.06       0.31       
PHE     HE1      H        12960        4.38         8.80       7.08       0.31       
PHE     HE2      H        11242        4.38         8.80       7.08       0.31       
PHE     HZ       H        9154         4.32         9.50       6.99       0.41       
PHE     C        C        18013      166.85       184.93     175.50       1.97       
PHE     CA       C        24824       36.03        69.82      58.14       2.57       
PHE     CB       C        23157       25.52        55.62      39.93       2.06       
PHE     CG       C        235        127.24       152.84     138.46       2.80       
PHE     CD1      C        8893       116.95       143.16     131.58       1.22       
PHE     CD2      C        6548       115.55       138.70     131.58       1.22       
PHE     CE1      C        7708       114.75       139.56     130.73       1.32       
PHE     CE2      C        5676       114.70       139.70     130.76       1.21       
PHE     CZ       C        5893       115.10       139.13     129.22       1.48       
PHE     N        N        26647      101.47       139.02     120.37       4.12       

PRO     HA       H        22529        1.04         8.08       4.39       0.33       
PRO     HB2      H        20806       -0.75         4.59       2.08       0.35       
PRO     HB3      H        20202       -0.58         3.79       2.00       0.35       
PRO     HG2      H        18632       -0.77         4.42       1.93       0.31       
PRO     HG3      H        17286       -0.73         4.42       1.90       0.32       
PRO     HD2      H        19067        0.63         5.36       3.65       0.35       
PRO     HD3      H        18404        0.34         5.36       3.62       0.38       
PRO     C        C        19317      168.38       182.84     176.77       1.48       
PRO     CA       C        27539       48.56        72.28      63.35       1.51       
PRO     CB       C        25652       20.91        56.76      31.85       1.18       
PRO     CG       C        16716       18.28        50.75      27.20       1.10       
PRO     CD       C        16681       26.92        58.81      50.34       1.05       
PRO     N        N        1091       110.49       145.26     135.26       5.58       

SER     H        H        48748        3.76        12.52       8.28       0.58       
SER     HA       H        34866        1.28         6.85       4.47       0.40       
SER     HB2      H        31746        1.70         5.45       3.87       0.25       
SER     HB3      H        29383        1.16         5.45       3.84       0.27       
SER     HG       H        546          0.13         8.97       5.36       1.07       
SER     C        C        31729      164.47       197.10     174.65       1.72       
SER     CA       C        44293       45.13        73.19      58.73       2.07       
SER     CB       C        40864       31.40        76.39      63.80       1.51       
SER     N        N        45930       95.97       133.68     116.29       3.48       

THR     H        H        42870        5.32        11.80       8.24       0.62       
THR     HA       H        30253        1.65         7.47       4.45       0.47       
THR     HB       H        27422        0.92         8.35       4.16       0.32       
THR     HG1      H        918         -1.78         9.01       5.09       1.30       
THR     HG2      H        27098       -0.97         3.28       1.14       0.22       
THR     C        C        27347      165.50       184.43     174.58       1.72       
THR     CA       C        37936       48.01        72.80      62.25       2.58       
THR     CB       C        35002       29.62        81.53      69.71       1.74       
THR     CG2      C        22635       11.70        36.73      21.55       1.10       
THR     N        N        40578       95.77       138.27     115.35       4.71       

TRP     H        H        9002         5.16        11.76       8.27       0.77       
TRP     HA       H        6209         2.24         6.58       4.66       0.52       
TRP     HB2      H        5830         0.68         4.54       3.19       0.34       
TRP     HB3      H        5660         0.26         4.44       3.12       0.36       
TRP     HD1      H        5160         4.60         8.93       7.14       0.34       
TRP     HE1      H        5729         5.12        14.39      10.07       0.64       
TRP     HE3      H        4456         4.89         9.95       7.32       0.41       
TRP     HZ2      H        4812         4.66         8.56       7.28       0.32       
TRP     HZ3      H        4309         3.88         8.90       6.87       0.37       
TRP     HH2      H        4429         4.37        10.17       6.98       0.37       
TRP     C        C        5432       168.17       182.60     176.21       1.98       
TRP     CA       C        7570        43.50        81.00      57.72       2.54       
TRP     CB       C        7046        18.63        52.30      29.97       2.00       
TRP     CG       C        143        107.50       116.53     111.06       1.79       
TRP     CD1      C        3211       108.45       135.60     126.56       1.86       
TRP     CD2      C        114        120.00       132.62     127.77       1.88       
TRP     CE2      C        114        113.89       177.71     138.08       7.04       
TRP     CE3      C        2676        93.34       137.60     120.47       1.84       
TRP     CZ2      C        3064        81.81       134.70     114.26       1.44       
TRP     CZ3      C        2714        98.61       138.39     121.36       1.60       
TRP     CH2      C        2862        91.62       131.54     123.80       1.57       
TRP     N        N        8146       101.97       138.11     121.58       4.07       
TRP     NE1      N        4607       106.00       144.36     129.28       2.07       

TYR     H        H        23877        4.16        12.34       8.30       0.72       
TYR     HA       H        16739        1.19         6.83       4.60       0.56       
TYR     HB2      H        15454       -0.49         4.70       2.90       0.37       
TYR     HB3      H        15090       -0.19         4.70       2.84       0.39       
TYR     HD1      H        13308        4.68         8.54       6.93       0.29       
TYR     HD2      H        11591        4.43         8.54       6.93       0.29       
TYR     HE1      H        12624        4.58         7.85       6.70       0.22       
TYR     HE2      H        11081        4.56         8.50       6.70       0.23       
TYR     HH       H        236         -0.79        13.75       9.13       1.60       
TYR     C        C        14724      167.86       184.78     175.51       1.95       
TYR     CA       C        20530       44.64        69.56      58.19       2.48       
TYR     CB       C        18978       25.32        57.73      39.27       2.14       
TYR     CG       C        212        117.70       144.30     129.61       2.45       
TYR     CD1      C        7969       115.30       141.57     132.73       1.35       
TYR     CD2      C        5670       113.00       139.47     132.69       1.52       
TYR     CE1      C        7893       110.70       137.42     117.95       1.27       
TYR     CE2      C        5595       106.55       135.82     117.92       1.27       
TYR     CZ       C        155        153.54       160.45     156.82       1.47       
TYR     N        N        22025      100.09       144.96     120.49       4.09       

VAL     H        H        52313        3.98        12.59       8.28       0.66       
VAL     HA       H        36930        0.97         6.30       4.16       0.57       
VAL     HB       H        34180       -1.24         3.76       1.98       0.31       
VAL     HG1      H        33810       -1.13         2.57       0.83       0.26       
VAL     HG2      H        33095       -2.32         3.32       0.80       0.28       
VAL     C        C        34298      165.65       183.95     175.71       1.85       
VAL     CA       C        46707       44.98        70.34      62.56       2.84       
VAL     CB       C        43023       18.97        45.33      32.70       1.77       
VAL     CG1      C        29237       12.07        41.21      21.52       1.36       
VAL     CG2      C        28178       11.38        41.21      21.29       1.53       
VAL     N        N        50031       97.22       143.29     121.10       4.43