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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 7698794 possible chemical shifts in the BMRB database, 5785703 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: 04-27-2017
Amino   Atom    Atom     Number     Minimum     Maximum    Average    Standard    
Acid    Name    Type    of Shifts    Shift       Shift      Shift     Deviation   

ALA     H        H        53854        3.53        12.11       8.19       0.58       
ALA     HA       H        38136        0.87         6.51       4.24       0.43       
ALA     HB       H        36014       -0.83         3.12       1.36       0.25       
ALA     C        C        35163      164.48       187.20     177.81       2.08       
ALA     CA       C        47813       39.92        65.52      53.18       1.94       
ALA     CB       C        44872        6.61        43.14      18.96       1.78       
ALA     N        N        51026       98.05       142.81     123.28       3.47       

ARG     H        H        35688        3.57        12.69       8.23       0.61       
ARG     HA       H        25859        1.29         6.62       4.29       0.46       
ARG     HB2      H        23355       -0.61         3.49       1.79       0.26       
ARG     HB3      H        22143       -0.74         3.32       1.76       0.27       
ARG     HG2      H        20898       -0.64         3.51       1.57       0.27       
ARG     HG3      H        19364       -0.74         3.51       1.54       0.28       
ARG     HD2      H        20519        1.04         4.69       3.12       0.23       
ARG     HD3      H        18711        0.85         4.69       3.10       0.25       
ARG     HE       H        6233         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        22048      167.44       184.51     176.47       2.01       
ARG     CA       C        30779       35.70        67.98      56.81       2.31       
ARG     CB       C        28586       20.78        42.50      30.64       1.81       
ARG     CG       C        17348       18.22        49.39      27.21       1.21       
ARG     CD       C        17552       23.47        50.88      43.14       0.94       
ARG     CZ       C        452        113.28       179.69     159.97       3.69       
ARG     N        N        32805      102.78       137.60     120.79       3.64       
ARG     NE       N        3748        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        42496        4.06        12.68       8.30       0.57       
ASP     HA       H        30110        2.33         6.67       4.58       0.31       
ASP     HB2      H        27929       -0.39         4.60       2.71       0.26       
ASP     HB3      H        26826       -0.23         4.58       2.66       0.27       
ASP     HD2      H        5            4.65         9.29       6.06       1.87       
ASP     C        C        27158      166.80       182.70     176.44       1.72       
ASP     CA       C        37454       41.11        67.17      54.69       2.03       
ASP     CB       C        35305       26.50        58.51      40.87       1.62       
ASP     CG       C        464        170.72       186.50     179.32       1.83       
ASP     N        N        40460      101.90       143.52     120.67       3.79       

ASN     H        H        29796        2.61        12.40       8.32       0.62       
ASN     HA       H        21714        1.92         6.60       4.66       0.36       
ASN     HB2      H        20227        0.22         4.47       2.80       0.31       
ASN     HB3      H        19494       -0.07         4.77       2.75       0.33       
ASN     HD21     H        15021        2.06        10.92       7.32       0.49       
ASN     HD22     H        14804        2.58        10.92       7.15       0.50       
ASN     C        C        18895      167.04       185.30     175.30       1.78       
ASN     CA       C        26223       41.31        66.21      53.55       1.87       
ASN     CB       C        24756       26.45        55.09      38.69       1.66       
ASN     CG       C        1722       166.40       183.80     176.77       1.39       
ASN     N        N        27655      101.71       137.49     118.91       3.92       
ASN     ND2      N        12829       99.40       134.50     112.76       2.28       

CYS     H        H        15103        4.04        12.66       8.37       0.68       
CYS     HA       H        12565        1.64         6.45       4.65       0.54       
CYS     HB2      H        12089       -0.54         4.72       2.95       0.44       
CYS     HB3      H        11783       -0.83         4.77       2.89       0.45       
CYS     HG       H        136          0.10         7.39       2.02       1.13       
CYS     C        C        7383       166.73       187.59     174.93       2.04       
CYS     CA       C        10615       42.45        68.07      58.18       3.42       
CYS     CB       C        10044       17.99        63.89      33.02       6.34       
CYS     N        N        11554      100.48       138.68     120.10       4.48       

GLU     H        H        55559        4.24        12.69       8.33       0.58       
GLU     HA       H        39578        1.39         6.32       4.24       0.40       
GLU     HB2      H        35616        0.34         3.37       2.02       0.21       
GLU     HB3      H        33496        0.27         3.47       2.00       0.21       
GLU     HG2      H        32950        0.53         3.77       2.27       0.21       
GLU     HG3      H        30699        0.56         3.83       2.25       0.21       
GLU     HE2      H        3            2.73         2.93       2.82       0.10       
GLU     C        C        36409      166.80       183.52     176.93       1.91       
GLU     CA       C        49282       44.35        70.38      57.35       2.07       
GLU     CB       C        45839       18.36        49.56      29.96       1.70       
GLU     CG       C        29129       25.31        54.83      36.10       1.21       
GLU     CD       C        532        173.41       189.46     182.25       2.47       
GLU     N        N        53204      101.34       138.60     120.71       3.44       

GLN     H        H        30612        3.51        12.04       8.22       0.58       
GLN     HA       H        21901        1.57         6.44       4.26       0.42       
GLN     HB2      H        19817       -0.14         4.00       2.05       0.25       
GLN     HB3      H        18877       -0.58         4.04       2.01       0.27       
GLN     HG2      H        18522       -0.11         4.44       2.31       0.26       
GLN     HG3      H        17134       -0.41         4.44       2.29       0.28       
GLN     HE21     H        13767        3.39        11.11       7.21       0.44       
GLN     HE22     H        13696        3.59        10.35       7.04       0.44       
GLN     C        C        19921      168.09       185.31     176.37       1.92       
GLN     CA       C        27422       43.45        66.60      56.61       2.11       
GLN     CB       C        25587       18.43        43.65      29.15       1.80       
GLN     CG       C        16285       21.64        51.08      33.78       1.12       
GLN     CD       C        1602       171.37       183.54     179.72       1.23       
GLN     N        N        29063      103.88       139.55     119.91       3.53       
GLN     NE2      N        12311       92.49       133.30     111.86       1.69       

GLY     H        H        53152        3.01        12.22       8.33       0.63       
GLY     HA2      H        37306        0.84         6.48       3.96       0.37       
GLY     HA3      H        35490        0.74         6.48       3.90       0.37       
GLY     C        C        34005      163.27       184.89     173.90       1.86       
GLY     CA       C        47242       33.15        60.91      45.36       1.31       
GLY     N        N        49475       93.60       162.19     109.59       3.70       

HIS     H        H        15114        3.97        12.39       8.25       0.68       
HIS     HA       H        11250        1.93         8.90       4.60       0.43       
HIS     HB2      H        10405       -0.04         8.70       3.10       0.35       
HIS     HB3      H        10103       -0.39         8.70       3.05       0.38       
HIS     HD1      H        458          2.73        17.20       8.56       2.47       
HIS     HD2      H        7285         3.65        10.35       7.00       0.41       
HIS     HE1      H        5695         3.21        10.88       7.96       0.48       
HIS     HE2      H        178          6.57        16.53       9.58       2.41       
HIS     C        C        9682       166.90       183.12     175.26       1.95       
HIS     CA       C        13765       43.31        77.56      56.51       2.32       
HIS     CB       C        12883       18.75        54.90      30.23       2.10       
HIS     CG       C        107        117.54       139.56     131.91       3.28       
HIS     CD2      C        4778       110.52       159.95     120.40       3.39       
HIS     CE1      C        3654       104.67       145.42     137.65       2.26       
HIS     N        N        14083      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        37533        3.43        11.87       8.27       0.68       
ILE     HA       H        26846        1.32         6.36       4.16       0.55       
ILE     HB       H        25157       -1.28         3.87       1.78       0.29       
ILE     HG12     H        22732       -2.12         2.69       1.27       0.40       
ILE     HG13     H        21861       -2.07         2.99       1.20       0.41       
ILE     HG2      H        23916       -1.47         2.20       0.78       0.27       
ILE     HD1      H        24498       -1.47         2.82       0.68       0.29       
ILE     C        C        24352      166.40       187.55     175.93       1.90       
ILE     CA       C        33344       43.84        71.86      61.67       2.68       
ILE     CB       C        31053       18.10        51.88      38.56       2.00       
ILE     CG1      C        19830        8.77        39.05      27.73       1.71       
ILE     CG2      C        21020        3.45        37.01      17.52       1.35       
ILE     CD1      C        21527        4.94        29.60      13.40       1.67       
ILE     N        N        35542       99.00       138.12     121.41       4.23       

LEU     H        H        62520        2.74        13.22       8.22       0.63       
LEU     HA       H        44402        1.72         6.42       4.30       0.46       
LEU     HB2      H        40655       -1.21         4.13       1.61       0.34       
LEU     HB3      H        38923       -1.41         3.23       1.52       0.36       
LEU     HG       H        35844       -1.06         3.90       1.51       0.33       
LEU     HD1      H        40573       -1.73         2.36       0.75       0.28       
LEU     HD2      H        38966       -1.65         2.67       0.73       0.28       
LEU     C        C        40448      166.22       189.78     177.07       1.94       
LEU     CA       C        55354       42.69        67.88      55.69       2.12       
LEU     CB       C        51698       26.40        53.70      42.25       1.85       
LEU     CG       C        31022       15.30        38.62      26.78       1.11       
LEU     CD1      C        34633       10.95        36.85      24.66       1.59       
LEU     CD2      C        32981        9.86        30.40      24.07       1.70       
LEU     N        N        59014       98.56       177.62     121.82       3.85       

LYS     H        H        52249        4.11        12.03       8.17       0.59       
LYS     HA       H        38104        0.68         6.17       4.26       0.43       
LYS     HB2      H        33902       -0.58         4.05       1.78       0.24       
LYS     HB3      H        32031       -0.72         4.00       1.75       0.26       
LYS     HG2      H        30657       -0.98         3.61       1.37       0.25       
LYS     HG3      H        28324       -1.11         3.61       1.35       0.27       
LYS     HD2      H        27193       -1.68         3.19       1.60       0.21       
LYS     HD3      H        24533       -1.02         3.19       1.60       0.22       
LYS     HE2      H        26897        1.23         4.43       2.91       0.19       
LYS     HE3      H        23716        1.17         4.55       2.91       0.20       
LYS     HZ       H        962          1.95         9.90       7.39       0.66       
LYS     C        C        32880      166.63       185.00     176.72       1.92       
LYS     CA       C        45208       40.73        65.87      56.98       2.18       
LYS     CB       C        42000       21.19        46.60      32.76       1.77       
LYS     CG       C        26149       16.85        40.50      24.89       1.15       
LYS     CD       C        24654       15.37        42.70      28.95       1.12       
LYS     CE       C        23820       25.24        56.00      41.88       0.89       
LYS     N        N        48571      101.10       140.30     121.03       3.70       
LYS     NZ       N        65          29.48        43.69      33.14       1.74       

MET     H        H        14904        4.87        12.46       8.25       0.58       
MET     HA       H        11030        1.13         6.35       4.39       0.46       
MET     HB2      H        9834        -1.05         4.07       2.02       0.33       
MET     HB3      H        9247        -0.99         3.47       1.99       0.34       
MET     HG2      H        9014        -0.42         4.40       2.42       0.35       
MET     HG3      H        8513        -0.47         4.24       2.39       0.38       
MET     HE       H        6604        -0.71         8.38       1.89       0.40       
MET     C        C        9854       167.40       183.16     176.25       2.07       
MET     CA       C        13850       43.28        66.86      56.16       2.21       
MET     CB       C        12772       20.36        46.46      32.92       2.17       
MET     CG       C        7532        15.94        51.70      32.02       1.29       
MET     CE       C        5905        10.50        44.10      17.11       1.69       
MET     N        N        14246      102.80       138.55     120.10       3.49       

PHE     H        H        26524        3.55        12.18       8.34       0.71       
PHE     HA       H        18658        1.78         6.87       4.61       0.56       
PHE     HB2      H        17296        0.16         4.46       3.00       0.37       
PHE     HB3      H        16886       -0.21         4.69       2.94       0.39       
PHE     HD1      H        14381        4.47         8.15       7.06       0.31       
PHE     HD2      H        12328        4.47         8.15       7.06       0.31       
PHE     HE1      H        12500        4.38         8.80       7.08       0.31       
PHE     HE2      H        10864        4.38         8.80       7.08       0.31       
PHE     HZ       H        8819         4.32         9.50       6.99       0.41       
PHE     C        C        16925      166.85       184.93     175.49       1.98       
PHE     CA       C        23170       36.03        69.82      58.13       2.58       
PHE     CB       C        21695       25.52        55.62      39.92       2.06       
PHE     CG       C        203        127.24       152.84     138.44       2.85       
PHE     CD1      C        8458       116.95       143.16     131.59       1.22       
PHE     CD2      C        6288       115.55       138.70     131.59       1.21       
PHE     CE1      C        7377       114.75       139.56     130.74       1.31       
PHE     CE2      C        5482       114.70       139.70     130.77       1.20       
PHE     CZ       C        5649       115.10       139.13     129.21       1.48       
PHE     N        N        24911      102.20       139.02     120.37       4.14       

PRO     HA       H        21477        1.04         8.08       4.39       0.33       
PRO     HB2      H        19862       -0.75         4.59       2.07       0.35       
PRO     HB3      H        19283       -0.58         3.79       2.00       0.36       
PRO     HG2      H        17934       -0.77         4.42       1.92       0.31       
PRO     HG3      H        16635       -0.73         4.42       1.90       0.32       
PRO     HD2      H        18361        0.63         5.36       3.65       0.35       
PRO     HD3      H        17707        0.34         5.36       3.61       0.38       
PRO     C        C        17999      168.38       182.84     176.76       1.50       
PRO     CA       C        25777       31.80        72.28      63.35       1.56       
PRO     CB       C        24005       20.91        56.76      31.84       1.20       
PRO     CG       C        15969       18.28        50.75      27.19       1.12       
PRO     CD       C        15954       26.92        58.81      50.33       1.06       
PRO     N        N        852        110.49       145.26     134.77       6.03       

SER     H        H        45658        2.32        13.13       8.28       0.58       
SER     HA       H        33360        1.28         6.85       4.47       0.40       
SER     HB2      H        30417        1.70         5.45       3.87       0.25       
SER     HB3      H        28189        1.54         5.45       3.85       0.27       
SER     HG       H        483          0.13         8.97       5.39       1.04       
SER     C        C        29552      164.47       197.10     174.66       1.74       
SER     CA       C        41207       45.13        73.19      58.75       2.08       
SER     CB       C        38091       31.20        76.39      63.79       1.52       
SER     N        N        42782       95.97       133.68     116.27       3.49       

THR     H        H        40007        5.32        11.82       8.23       0.62       
THR     HA       H        28682        1.65         7.47       4.45       0.47       
THR     HB       H        26013        0.92         8.35       4.16       0.32       
THR     HG1      H        834          0.32         9.01       5.16       1.17       
THR     HG2      H        25835       -1.21         3.40       1.14       0.22       
THR     C        C        25367      165.50       184.43     174.58       1.73       
THR     CA       C        35063       48.01        72.80      62.26       2.60       
THR     CB       C        32419       29.97        81.53      69.70       1.75       
THR     CG2      C        21349       11.70        36.73      21.55       1.11       
THR     N        N        37655       95.77       138.27     115.35       4.71       

TRP     H        H        8501         5.16        11.76       8.27       0.77       
TRP     HA       H        5981         2.24         6.58       4.66       0.52       
TRP     HB2      H        5627         0.68         4.54       3.19       0.35       
TRP     HB3      H        5463         0.26         4.44       3.12       0.36       
TRP     HD1      H        5011         4.60         8.93       7.14       0.34       
TRP     HE1      H        5558         5.12        14.39      10.08       0.64       
TRP     HE3      H        4338         4.89         9.95       7.32       0.41       
TRP     HZ2      H        4678         4.66         8.60       7.28       0.32       
TRP     HZ3      H        4207         3.88         8.90       6.87       0.37       
TRP     HH2      H        4302         4.37        10.17       6.98       0.37       
TRP     C        C        5075       168.17       182.60     176.21       2.00       
TRP     CA       C        7062        43.50        81.00      57.74       2.55       
TRP     CB       C        6595        18.63        52.30      29.97       1.99       
TRP     CG       C        132        107.50       116.53     111.01       1.83       
TRP     CD1      C        3093       108.45       133.49     126.57       1.84       
TRP     CD2      C        101        120.20       132.62     127.81       1.63       
TRP     CE2      C        105        113.89       177.71     138.17       7.28       
TRP     CE3      C        2589        93.34       137.60     120.46       1.80       
TRP     CZ2      C        2952        81.81       134.70     114.26       1.44       
TRP     CZ3      C        2639        98.61       138.39     121.37       1.59       
TRP     CH2      C        2757        91.62       131.54     123.82       1.55       
TRP     N        N        7646       101.97       138.11     121.59       4.05       
TRP     NE1      N        4445       106.00       144.36     129.30       2.09       

TYR     H        H        22243        4.16        12.34       8.30       0.73       
TYR     HA       H        15993        1.19         6.83       4.60       0.56       
TYR     HB2      H        14768       -0.49         4.70       2.90       0.37       
TYR     HB3      H        14436       -0.19         4.70       2.84       0.39       
TYR     HD1      H        12792        4.68         8.54       6.93       0.30       
TYR     HD2      H        11138        4.43         8.54       6.93       0.30       
TYR     HE1      H        12145        4.58         7.85       6.70       0.23       
TYR     HE2      H        10677        4.56         8.50       6.70       0.23       
TYR     HH       H        216         -0.79        13.75       9.11       1.64       
TYR     C        C        13696      167.86       184.78     175.48       1.98       
TYR     CA       C        19042       44.64        69.56      58.18       2.51       
TYR     CB       C        17625       25.32        57.73      39.26       2.14       
TYR     CG       C        175        117.70       144.30     129.60       2.55       
TYR     CD1      C        7573       115.30       141.57     132.73       1.34       
TYR     CD2      C        5453       113.00       139.47     132.70       1.50       
TYR     CE1      C        7530       110.70       137.42     117.94       1.28       
TYR     CE2      C        5394       106.55       135.82     117.91       1.25       
TYR     CZ       C        139        153.54       160.45     156.87       1.49       
TYR     N        N        20381      100.09       144.96     120.50       4.10       

VAL     H        H        49005        3.98        12.59       8.28       0.67       
VAL     HA       H        35194        0.97         6.30       4.16       0.57       
VAL     HB       H        32602       -1.24         3.76       1.98       0.31       
VAL     HG1      H        32315       -1.13         2.57       0.83       0.26       
VAL     HG2      H        31676       -2.32         3.32       0.80       0.28       
VAL     C        C        32067      165.65       183.95     175.71       1.86       
VAL     CA       C        43495       44.98        70.34      62.57       2.85       
VAL     CB       C        40176       18.97        45.33      32.70       1.78       
VAL     CG1      C        27752       12.07        32.27      21.51       1.37       
VAL     CG2      C        26760       11.38        33.12      21.28       1.54       
VAL     N        N        46675       97.22       143.29     121.10       4.44