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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 7861864 possible chemical shifts in the BMRB database, 5913729 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: 09-09-2017
Amino   Atom    Atom     Number     Minimum     Maximum    Average    Standard    
Acid    Name    Type    of Shifts    Shift       Shift      Shift     Deviation   

ALA     H        H        55243        3.53        12.11       8.19       0.58       
ALA     HA       H        39015        0.87         6.51       4.24       0.43       
ALA     HB       H        36817       -0.83         3.12       1.36       0.25       
ALA     C        C        36157      164.48       187.20     177.80       2.07       
ALA     CA       C        49211       39.92        67.02      53.18       1.94       
ALA     CB       C        46134        6.61        43.14      18.96       1.78       
ALA     N        N        52427       98.05       142.81     123.29       3.47       

ARG     H        H        36527        3.57        12.69       8.23       0.61       
ARG     HA       H        26378        1.29         6.62       4.29       0.46       
ARG     HB2      H        23795       -0.61         3.49       1.79       0.26       
ARG     HB3      H        22557       -0.74         3.32       1.76       0.27       
ARG     HG2      H        21270       -0.64         3.51       1.57       0.27       
ARG     HG3      H        19719       -0.74         3.51       1.55       0.28       
ARG     HD2      H        20877        1.04         4.69       3.12       0.23       
ARG     HD3      H        19050        0.85         4.69       3.10       0.25       
ARG     HE       H        6338         2.20        11.88       7.36       0.59       
ARG     HH11     H        565          5.88        10.07       6.90       0.46       
ARG     HH12     H        437          5.92        10.73       6.86       0.49       
ARG     HH21     H        498          4.85        11.35       6.82       0.49       
ARG     HH22     H        402          5.92        10.19       6.83       0.49       
ARG     C        C        22577      167.44       184.51     176.47       2.01       
ARG     CA       C        31537       35.70        67.98      56.81       2.30       
ARG     CB       C        29281       20.78        42.50      30.64       1.81       
ARG     CG       C        17700       18.22        49.39      27.21       1.21       
ARG     CD       C        17905       23.47        50.88      43.15       0.94       
ARG     CZ       C        461        113.28       179.92     160.04       3.88       
ARG     N        N        33633      102.78       137.60     120.80       3.64       
ARG     NE       N        3814        67.00        99.81      84.58       1.60       
ARG     NH1      N        113         67.60        87.82      74.43       5.27       
ARG     NH2      N        106         69.26        87.83      72.75       3.00       

ASP     H        H        43483        4.06        12.68       8.30       0.56       
ASP     HA       H        30661        2.33         6.67       4.58       0.31       
ASP     HB2      H        28439       -0.39         4.60       2.71       0.26       
ASP     HB3      H        27294       -0.23         4.58       2.66       0.27       
ASP     HD2      H        5            4.65         9.29       6.06       1.87       
ASP     C        C        27791      166.80       182.70     176.44       1.72       
ASP     CA       C        38397       41.11        67.17      54.69       2.03       
ASP     CB       C        36145       26.50        58.51      40.87       1.62       
ASP     CG       C        474        170.72       186.50     179.30       1.83       
ASP     N        N        41449      101.90       143.52     120.68       3.79       

ASN     H        H        30498        2.61        12.40       8.32       0.62       
ASN     HA       H        22108        1.92         6.60       4.66       0.36       
ASN     HB2      H        20595        0.22         4.47       2.80       0.31       
ASN     HB3      H        19843       -0.07         4.77       2.75       0.33       
ASN     HD21     H        15310        2.06        10.92       7.32       0.49       
ASN     HD22     H        15092        2.58        10.92       7.15       0.50       
ASN     C        C        19322      167.04       185.30     175.30       1.78       
ASN     CA       C        26897       41.31        66.21      53.55       1.87       
ASN     CB       C        25386       26.45        55.09      38.69       1.66       
ASN     CG       C        1756       166.40       183.80     176.77       1.39       
ASN     N        N        28352      101.71       137.49     118.91       3.92       
ASN     ND2      N        13108       99.40       134.50     112.76       2.28       

CYS     H        H        15462        4.04        12.66       8.38       0.68       
CYS     HA       H        12823        1.64         6.45       4.65       0.54       
CYS     HB2      H        12344       -0.54         4.72       2.95       0.44       
CYS     HB3      H        12032       -0.83         4.77       2.89       0.45       
CYS     HG       H        139          0.10         7.39       2.03       1.12       
CYS     C        C        7562       166.73       187.59     174.92       2.03       
CYS     CA       C        10923       41.51        68.07      58.16       3.42       
CYS     CB       C        10348       17.99        63.89      33.08       6.37       
CYS     N        N        11892      100.48       138.68     120.11       4.47       

GLU     H        H        56814        4.24        12.69       8.33       0.58       
GLU     HA       H        40278        1.39         6.32       4.24       0.40       
GLU     HB2      H        36226        0.34         3.37       2.02       0.21       
GLU     HB3      H        34067        0.27         3.47       2.00       0.21       
GLU     HG2      H        33471        0.53         3.77       2.27       0.21       
GLU     HG3      H        31181        0.56         3.83       2.25       0.21       
GLU     HE2      H        3            2.73         2.93       2.82       0.10       
GLU     C        C        37232      166.80       183.52     176.93       1.91       
GLU     CA       C        50492       44.35        70.38      57.35       2.07       
GLU     CB       C        46932       18.36        49.56      29.96       1.70       
GLU     CG       C        29667       25.31        54.83      36.10       1.21       
GLU     CD       C        544        173.41       189.46     182.26       2.47       
GLU     N        N        54472      101.34       138.60     120.71       3.45       

GLN     H        H        31419        3.51        12.04       8.22       0.58       
GLN     HA       H        22394        1.57         6.44       4.26       0.42       
GLN     HB2      H        20248       -0.14         4.00       2.04       0.25       
GLN     HB3      H        19287       -0.58         4.04       2.01       0.27       
GLN     HG2      H        18878       -0.11         4.44       2.31       0.27       
GLN     HG3      H        17462       -0.41         4.44       2.29       0.28       
GLN     HE21     H        14062        3.39        11.11       7.22       0.45       
GLN     HE22     H        13989        3.59        10.35       7.04       0.43       
GLN     C        C        20471      168.09       185.31     176.36       1.92       
GLN     CA       C        28211       43.45        66.60      56.60       2.10       
GLN     CB       C        26315       18.43        43.65      29.16       1.81       
GLN     CG       C        16638       21.64        51.08      33.78       1.12       
GLN     CD       C        1641       171.37       183.54     179.73       1.23       
GLN     N        N        29874      103.88       139.55     119.92       3.54       
GLN     NE2      N        12594       92.49       133.30     111.86       1.69       

GLY     H        H        54509        3.01        12.22       8.33       0.63       
GLY     HA2      H        38065        0.84         6.48       3.96       0.37       
GLY     HA3      H        36216        0.74         6.48       3.90       0.37       
GLY     C        C        34889      163.27       184.89     173.90       1.85       
GLY     CA       C        48567       33.15        60.91      45.36       1.31       
GLY     N        N        50829       93.60       162.19     109.59       3.69       

HIS     H        H        15425        3.97        12.39       8.25       0.68       
HIS     HA       H        11438        1.93         8.90       4.60       0.43       
HIS     HB2      H        10582       -0.04         8.70       3.10       0.35       
HIS     HB3      H        10271       -0.39         8.70       3.05       0.37       
HIS     HD1      H        469          2.73        17.20       8.58       2.46       
HIS     HD2      H        7407         3.65        10.35       7.00       0.41       
HIS     HE1      H        5790         3.21        10.88       7.96       0.48       
HIS     HE2      H        183          6.57        16.53       9.63       2.41       
HIS     C        C        9878       166.90       183.12     175.26       1.94       
HIS     CA       C        14085       43.31        77.56      56.51       2.31       
HIS     CB       C        13178       18.75        54.90      30.24       2.11       
HIS     CG       C        112        117.54       139.56     131.98       3.24       
HIS     CD2      C        4885       110.52       159.95     120.39       3.37       
HIS     CE1      C        3745       104.67       145.42     137.64       2.25       
HIS     N        N        14395      103.99       136.48     119.71       4.02       
HIS     ND1      N        245        164.31       229.14     193.51      18.37       
HIS     NE2      N        255        161.10       226.76     184.63      16.58       

ILE     H        H        38356        3.43        11.87       8.27       0.68       
ILE     HA       H        27319        1.32         6.36       4.16       0.55       
ILE     HB       H        25612       -1.28         3.87       1.78       0.29       
ILE     HG12     H        23137       -2.12         2.69       1.27       0.40       
ILE     HG13     H        22252       -2.07         2.99       1.20       0.41       
ILE     HG2      H        24348       -1.47         2.20       0.78       0.27       
ILE     HD1      H        24934       -1.47         2.82       0.68       0.29       
ILE     C        C        24917      166.40       187.55     175.92       1.91       
ILE     CA       C        34157       43.84        71.86      61.67       2.68       
ILE     CB       C        31785       18.10        51.88      38.57       2.00       
ILE     CG1      C        20276        8.77        39.05      27.73       1.71       
ILE     CG2      C        21488        3.45        37.01      17.52       1.35       
ILE     CD1      C        21992        4.94        29.60      13.40       1.67       
ILE     N        N        36379       99.00       138.12     121.42       4.23       

LEU     H        H        63851        2.74        13.22       8.22       0.63       
LEU     HA       H        45216        1.72         6.42       4.30       0.46       
LEU     HB2      H        41374       -1.21         4.13       1.61       0.34       
LEU     HB3      H        39615       -1.41         3.23       1.52       0.36       
LEU     HG       H        36452       -1.06         3.90       1.51       0.33       
LEU     HD1      H        41285       -1.73         2.36       0.75       0.27       
LEU     HD2      H        39653       -1.65         2.67       0.73       0.28       
LEU     C        C        41309      166.22       189.78     177.07       1.94       
LEU     CA       C        56641       42.69        67.88      55.69       2.12       
LEU     CB       C        52857       26.40        53.70      42.25       1.86       
LEU     CG       C        31638       15.30        38.62      26.78       1.10       
LEU     CD1      C        35303       10.95        36.85      24.66       1.59       
LEU     CD2      C        33642        9.86        30.40      24.07       1.69       
LEU     N        N        60350       98.56       177.62     121.83       3.86       

LYS     H        H        53428        4.11        12.03       8.18       0.60       
LYS     HA       H        38790        0.68         6.17       4.26       0.43       
LYS     HB2      H        34500       -0.58         4.05       1.78       0.24       
LYS     HB3      H        32599       -0.72         4.00       1.75       0.26       
LYS     HG2      H        31200       -0.98         3.61       1.37       0.25       
LYS     HG3      H        28825       -1.11         3.61       1.35       0.27       
LYS     HD2      H        27686       -1.68         3.19       1.61       0.21       
LYS     HD3      H        24967       -1.02         3.19       1.60       0.22       
LYS     HE2      H        27382        1.23         4.43       2.91       0.19       
LYS     HE3      H        24152        1.17         4.55       2.91       0.20       
LYS     HZ       H        979          1.95         9.90       7.39       0.67       
LYS     C        C        33604      166.63       185.00     176.71       1.92       
LYS     CA       C        46328       40.73        65.87      56.98       2.18       
LYS     CB       C        42987       21.19        46.60      32.77       1.77       
LYS     CG       C        26682       16.85        40.50      24.89       1.14       
LYS     CD       C        25151       15.37        42.70      28.95       1.12       
LYS     CE       C        24290       25.24        56.00      41.88       0.89       
LYS     N        N        49745      101.10       140.30     121.03       3.70       
LYS     NZ       N        70          29.48        43.69      33.22       1.71       

MET     H        H        15250        4.87        12.46       8.25       0.58       
MET     HA       H        11223        1.13         6.35       4.39       0.46       
MET     HB2      H        10001       -1.05         4.07       2.02       0.33       
MET     HB3      H        9404        -0.99         3.47       1.99       0.34       
MET     HG2      H        9154        -0.42         4.40       2.42       0.35       
MET     HG3      H        8650        -0.47         4.24       2.39       0.37       
MET     HE       H        6686        -0.71         8.38       1.89       0.40       
MET     C        C        10097      167.40       183.16     176.25       2.06       
MET     CA       C        14188       43.28        66.86      56.16       2.20       
MET     CB       C        13066       20.36        46.46      32.93       2.18       
MET     CG       C        7671        15.94        51.70      32.02       1.30       
MET     CE       C        5996        10.50        44.10      17.11       1.68       
MET     N        N        14594      102.80       138.55     120.10       3.49       

PHE     H        H        27124        3.55        12.18       8.34       0.72       
PHE     HA       H        18999        1.78         6.87       4.61       0.56       
PHE     HB2      H        17604        0.16         4.46       3.00       0.37       
PHE     HB3      H        17182       -0.21         4.69       2.94       0.39       
PHE     HD1      H        14635        4.47         8.15       7.06       0.31       
PHE     HD2      H        12516        4.47         8.15       7.06       0.31       
PHE     HE1      H        12718        4.38         8.80       7.08       0.31       
PHE     HE2      H        11024        4.38         8.80       7.08       0.31       
PHE     HZ       H        8968         4.32         9.50       6.99       0.41       
PHE     C        C        17287      166.85       184.93     175.49       1.98       
PHE     CA       C        23753       36.03        69.82      58.13       2.58       
PHE     CB       C        22222       25.52        55.62      39.93       2.07       
PHE     CG       C        216        127.24       152.84     138.37       2.87       
PHE     CD1      C        8660       116.95       143.16     131.59       1.22       
PHE     CD2      C        6390       115.55       138.70     131.59       1.21       
PHE     CE1      C        7537       114.75       139.56     130.73       1.30       
PHE     CE2      C        5561       114.70       139.70     130.77       1.20       
PHE     CZ       C        5760       115.10       139.13     129.21       1.49       
PHE     N        N        25513      102.20       139.02     120.38       4.14       

PRO     HA       H        21914        1.04         8.08       4.39       0.33       
PRO     HB2      H        20261       -0.75         4.59       2.08       0.35       
PRO     HB3      H        19674       -0.58         3.79       2.00       0.35       
PRO     HG2      H        18235       -0.77         4.42       1.93       0.31       
PRO     HG3      H        16928       -0.73         4.42       1.90       0.32       
PRO     HD2      H        18656        0.63         5.36       3.65       0.35       
PRO     HD3      H        18000        0.34         5.36       3.61       0.38       
PRO     C        C        18462      168.38       182.84     176.76       1.49       
PRO     CA       C        26435       33.20        72.28      63.35       1.53       
PRO     CB       C        24610       20.91        56.76      31.84       1.20       
PRO     CG       C        16281       18.28        50.75      27.19       1.11       
PRO     CD       C        16248       26.92        58.81      50.33       1.06       
PRO     N        N        926        110.49       145.26     134.96       5.88       

SER     H        H        46698        2.32        13.13       8.28       0.58       
SER     HA       H        33979        1.28         6.85       4.47       0.40       
SER     HB2      H        30958        1.70         5.45       3.87       0.25       
SER     HB3      H        28694        1.55         5.45       3.85       0.27       
SER     HG       H        500          0.13         8.97       5.38       1.04       
SER     C        C        30254      164.47       197.10     174.66       1.73       
SER     CA       C        42227       45.13        73.19      58.74       2.07       
SER     CB       C        39018       31.40        76.39      63.79       1.51       
SER     N        N        43822       95.97       133.68     116.27       3.49       

THR     H        H        41117        5.32        11.82       8.24       0.62       
THR     HA       H        29354        1.65         7.47       4.45       0.47       
THR     HB       H        26627        0.92         8.35       4.16       0.32       
THR     HG1      H        874          0.32         9.01       5.15       1.17       
THR     HG2      H        26402       -1.21         3.40       1.14       0.22       
THR     C        C        26099      165.50       184.43     174.57       1.73       
THR     CA       C        36171       48.01        72.80      62.25       2.59       
THR     CB       C        33400       29.97        81.53      69.71       1.73       
THR     CG2      C        21935       11.70        36.73      21.54       1.11       
THR     N        N        38767       95.77       138.27     115.35       4.72       

TRP     H        H        8684         5.16        11.76       8.27       0.77       
TRP     HA       H        6091         2.24         6.58       4.66       0.52       
TRP     HB2      H        5725         0.68         4.54       3.19       0.34       
TRP     HB3      H        5559         0.26         4.44       3.12       0.36       
TRP     HD1      H        5100         4.60         8.93       7.14       0.34       
TRP     HE1      H        5676         5.12        14.39      10.08       0.64       
TRP     HE3      H        4412         4.89         9.95       7.32       0.41       
TRP     HZ2      H        4753         4.66         8.60       7.28       0.32       
TRP     HZ3      H        4273         3.88         8.90       6.87       0.37       
TRP     HH2      H        4375         4.37        10.17       6.98       0.37       
TRP     C        C        5191       168.17       182.60     176.21       1.99       
TRP     CA       C        7238        43.50        81.00      57.74       2.54       
TRP     CB       C        6757        18.63        52.30      29.96       1.99       
TRP     CG       C        135        107.50       116.53     111.03       1.83       
TRP     CD1      C        3163       108.45       135.60     126.56       1.86       
TRP     CD2      C        109        120.00       132.62     127.71       1.83       
TRP     CE2      C        111        113.89       177.71     138.04       7.14       
TRP     CE3      C        2646        93.34       137.60     120.47       1.82       
TRP     CZ2      C        3015        81.81       134.70     114.26       1.45       
TRP     CZ3      C        2691        98.61       138.39     121.36       1.60       
TRP     CH2      C        2814        91.62       131.54     123.81       1.57       
TRP     N        N        7825       101.97       138.11     121.59       4.05       
TRP     NE1      N        4554       106.00       144.36     129.29       2.08       

TYR     H        H        22874        4.16        12.34       8.30       0.72       
TYR     HA       H        16320        1.19         6.83       4.60       0.56       
TYR     HB2      H        15065       -0.49         4.70       2.90       0.37       
TYR     HB3      H        14722       -0.19         4.70       2.84       0.39       
TYR     HD1      H        13054        4.68         8.54       6.93       0.30       
TYR     HD2      H        11359        4.43         8.54       6.93       0.30       
TYR     HE1      H        12389        4.58         7.85       6.70       0.23       
TYR     HE2      H        10877        4.56         8.50       6.70       0.23       
TYR     HH       H        225         -0.79        13.75       9.13       1.62       
TYR     C        C        14069      167.86       184.78     175.49       1.97       
TYR     CA       C        19619       44.64        69.56      58.18       2.50       
TYR     CB       C        18143       25.32        57.73      39.27       2.14       
TYR     CG       C        179        117.70       144.30     129.62       2.54       
TYR     CD1      C        7782       115.30       141.57     132.73       1.34       
TYR     CD2      C        5574       113.00       139.47     132.70       1.49       
TYR     CE1      C        7715       110.70       137.42     117.94       1.27       
TYR     CE2      C        5507       106.55       135.82     117.91       1.24       
TYR     CZ       C        143        153.54       160.45     156.88       1.48       
TYR     N        N        21009      100.09       144.96     120.49       4.10       

VAL     H        H        50223        3.98        12.59       8.28       0.66       
VAL     HA       H        35875        0.97         6.30       4.16       0.57       
VAL     HB       H        33223       -1.24         3.76       1.98       0.31       
VAL     HG1      H        32902       -1.13         2.57       0.83       0.26       
VAL     HG2      H        32250       -2.32         3.32       0.80       0.28       
VAL     C        C        32866      165.65       183.95     175.71       1.86       
VAL     CA       C        44651       44.98        70.34      62.57       2.84       
VAL     CB       C        41195       18.97        45.33      32.70       1.78       
VAL     CG1      C        28345       12.07        32.27      21.51       1.36       
VAL     CG2      C        27344       11.38        33.12      21.28       1.54       
VAL     N        N        47901       97.22       143.29     121.09       4.44