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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 7821074 possible chemical shifts in the BMRB database, 5878343 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: 08-11-2017
Amino   Atom    Atom     Number     Minimum     Maximum    Average    Standard    
Acid    Name    Type    of Shifts    Shift       Shift      Shift     Deviation   

ALA     H        H        54792        3.53        12.11       8.19       0.58       
ALA     HA       H        38780        0.87         6.51       4.24       0.43       
ALA     HB       H        36621       -0.83         3.12       1.36       0.25       
ALA     C        C        35853      164.48       187.20     177.80       2.07       
ALA     CA       C        48775       39.92        65.52      53.18       1.94       
ALA     CB       C        45767        6.61        43.14      18.96       1.78       
ALA     N        N        51973       98.05       142.81     123.28       3.47       

ARG     H        H        36300        3.57        12.69       8.23       0.61       
ARG     HA       H        26286        1.29         6.62       4.29       0.46       
ARG     HB2      H        23707       -0.61         3.49       1.79       0.26       
ARG     HB3      H        22473       -0.74         3.32       1.76       0.27       
ARG     HG2      H        21190       -0.64         3.51       1.57       0.27       
ARG     HG3      H        19641       -0.74         3.51       1.55       0.28       
ARG     HD2      H        20798        1.04         4.69       3.12       0.23       
ARG     HD3      H        18977        0.85         4.69       3.10       0.25       
ARG     HE       H        6303         2.20        11.88       7.36       0.59       
ARG     HH11     H        563          5.88        10.07       6.90       0.46       
ARG     HH12     H        435          5.92        10.73       6.86       0.49       
ARG     HH21     H        496          4.85        11.35       6.81       0.49       
ARG     HH22     H        400          5.92        10.19       6.82       0.49       
ARG     C        C        22442      167.44       184.51     176.47       2.01       
ARG     CA       C        31353       35.70        67.98      56.81       2.30       
ARG     CB       C        29113       20.78        42.50      30.64       1.81       
ARG     CG       C        17634       18.22        49.39      27.21       1.21       
ARG     CD       C        17836       23.47        50.88      43.14       0.94       
ARG     CZ       C        457        113.28       179.92     160.05       3.90       
ARG     N        N        33406      102.78       137.60     120.80       3.64       
ARG     NE       N        3800        67.00        99.81      84.58       1.60       
ARG     NH1      N        112         67.60        87.82      74.44       5.29       
ARG     NH2      N        105         69.26        87.83      72.77       3.00       

ASP     H        H        43170        4.06        12.68       8.30       0.56       
ASP     HA       H        30528        2.33         6.67       4.58       0.31       
ASP     HB2      H        28316       -0.39         4.60       2.71       0.26       
ASP     HB3      H        27182       -0.23         4.58       2.66       0.27       
ASP     HD2      H        5            4.65         9.29       6.06       1.87       
ASP     C        C        27601      166.80       182.70     176.44       1.72       
ASP     CA       C        38113       41.11        67.17      54.69       2.03       
ASP     CB       C        35913       26.50        58.51      40.87       1.62       
ASP     CG       C        471        170.72       186.50     179.31       1.83       
ASP     N        N        41134      101.90       143.52     120.67       3.79       

ASN     H        H        30261        2.61        12.40       8.32       0.61       
ASN     HA       H        22006        1.92         6.60       4.66       0.36       
ASN     HB2      H        20502        0.22         4.47       2.80       0.31       
ASN     HB3      H        19760       -0.07         4.77       2.75       0.33       
ASN     HD21     H        15210        2.06        10.92       7.32       0.49       
ASN     HD22     H        14991        2.58        10.92       7.15       0.50       
ASN     C        C        19172      167.04       185.30     175.30       1.77       
ASN     CA       C        26681       41.31        66.21      53.55       1.87       
ASN     CB       C        25191       26.45        55.09      38.69       1.66       
ASN     CG       C        1746       166.40       183.80     176.77       1.38       
ASN     N        N        28114      101.71       137.49     118.91       3.92       
ASN     ND2      N        13004       99.40       134.50     112.76       2.28       

CYS     H        H        15369        4.04        12.66       8.38       0.68       
CYS     HA       H        12767        1.64         6.45       4.65       0.54       
CYS     HB2      H        12287       -0.54         4.72       2.95       0.44       
CYS     HB3      H        11976       -0.83         4.77       2.89       0.45       
CYS     HG       H        139          0.10         7.39       2.03       1.12       
CYS     C        C        7516       166.73       187.59     174.93       2.03       
CYS     CA       C        10848       41.51        68.07      58.16       3.42       
CYS     CB       C        10272       17.99        63.89      33.07       6.36       
CYS     N        N        11803      100.48       138.68     120.11       4.48       

GLU     H        H        56403        4.24        12.69       8.33       0.58       
GLU     HA       H        40100        1.39         6.32       4.24       0.40       
GLU     HB2      H        36077        0.34         3.37       2.02       0.21       
GLU     HB3      H        33930        0.27         3.47       2.00       0.21       
GLU     HG2      H        33333        0.53         3.77       2.27       0.21       
GLU     HG3      H        31063        0.56         3.83       2.25       0.21       
GLU     HE2      H        3            2.73         2.93       2.82       0.10       
GLU     C        C        36959      166.80       183.52     176.93       1.91       
GLU     CA       C        50116       44.35        70.38      57.35       2.07       
GLU     CB       C        46610       18.36        49.56      29.96       1.70       
GLU     CG       C        29526       25.31        54.83      36.10       1.21       
GLU     CD       C        539        173.41       189.46     182.27       2.46       
GLU     N        N        54058      101.34       138.60     120.71       3.44       

GLN     H        H        31225        3.51        12.04       8.22       0.58       
GLN     HA       H        22300        1.57         6.44       4.26       0.42       
GLN     HB2      H        20168       -0.14         4.00       2.04       0.25       
GLN     HB3      H        19212       -0.58         4.04       2.01       0.27       
GLN     HG2      H        18802       -0.11         4.44       2.31       0.27       
GLN     HG3      H        17393       -0.41         4.44       2.29       0.28       
GLN     HE21     H        13995        3.39        11.11       7.22       0.44       
GLN     HE22     H        13923        3.59        10.35       7.04       0.44       
GLN     C        C        20340      168.09       185.31     176.37       1.92       
GLN     CA       C        28032       43.45        66.60      56.60       2.10       
GLN     CB       C        26156       18.43        43.65      29.16       1.81       
GLN     CG       C        16564       21.64        51.08      33.78       1.12       
GLN     CD       C        1638       171.37       183.54     179.72       1.23       
GLN     N        N        29680      103.88       139.55     119.92       3.54       
GLN     NE2      N        12527       92.49       133.30     111.86       1.69       

GLY     H        H        54073        3.01        12.22       8.33       0.63       
GLY     HA2      H        37888        0.84         6.48       3.96       0.37       
GLY     HA3      H        36050        0.74         6.48       3.90       0.37       
GLY     C        C        34594      163.27       184.89     173.90       1.86       
GLY     CA       C        48165       33.15        60.91      45.36       1.31       
GLY     N        N        50390       93.60       162.19     109.59       3.69       

HIS     H        H        15319        3.97        12.39       8.25       0.68       
HIS     HA       H        11393        1.93         8.90       4.60       0.43       
HIS     HB2      H        10541       -0.04         8.70       3.10       0.35       
HIS     HB3      H        10231       -0.39         8.70       3.05       0.38       
HIS     HD1      H        465          2.73        17.20       8.57       2.47       
HIS     HD2      H        7377         3.65        10.35       7.00       0.41       
HIS     HE1      H        5768         3.21        10.88       7.96       0.48       
HIS     HE2      H        182          6.57        16.53       9.63       2.42       
HIS     C        C        9808       166.90       183.12     175.26       1.94       
HIS     CA       C        13980       43.31        77.56      56.51       2.31       
HIS     CB       C        13082       18.75        54.90      30.24       2.11       
HIS     CG       C        109        117.54       139.56     131.97       3.28       
HIS     CD2      C        4862       110.52       159.95     120.40       3.38       
HIS     CE1      C        3726       104.67       145.42     137.64       2.26       
HIS     N        N        14286      103.99       136.48     119.70       4.02       
HIS     ND1      N        245        164.31       229.14     193.51      18.37       
HIS     NE2      N        254        161.10       226.76     184.66      16.60       

ILE     H        H        38080        3.43        11.87       8.26       0.68       
ILE     HA       H        27186        1.32         6.36       4.16       0.55       
ILE     HB       H        25485       -1.28         3.87       1.78       0.29       
ILE     HG12     H        23023       -2.12         2.69       1.27       0.40       
ILE     HG13     H        22146       -2.07         2.99       1.20       0.41       
ILE     HG2      H        24228       -1.47         2.20       0.78       0.27       
ILE     HD1      H        24822       -1.47         2.82       0.68       0.29       
ILE     C        C        24720      166.40       187.55     175.93       1.91       
ILE     CA       C        33898       43.84        71.86      61.67       2.68       
ILE     CB       C        31556       18.10        51.88      38.57       2.00       
ILE     CG1      C        20158        8.77        39.05      27.73       1.71       
ILE     CG2      C        21368        3.45        37.01      17.52       1.35       
ILE     CD1      C        21878        4.94        29.60      13.40       1.67       
ILE     N        N        36100       99.00       138.12     121.41       4.23       

LEU     H        H        63473        2.74        13.22       8.22       0.63       
LEU     HA       H        45066        1.72         6.42       4.30       0.46       
LEU     HB2      H        41241       -1.21         4.13       1.61       0.34       
LEU     HB3      H        39487       -1.41         3.23       1.52       0.36       
LEU     HG       H        36324       -1.06         3.90       1.51       0.33       
LEU     HD1      H        41159       -1.73         2.36       0.75       0.27       
LEU     HD2      H        39535       -1.65         2.67       0.73       0.28       
LEU     C        C        41059      166.22       189.78     177.07       1.94       
LEU     CA       C        56295       42.69        67.88      55.69       2.12       
LEU     CB       C        52562       26.40        53.70      42.25       1.85       
LEU     CG       C        31508       15.30        38.62      26.78       1.10       
LEU     CD1      C        35182       10.95        36.85      24.66       1.59       
LEU     CD2      C        33535        9.86        30.40      24.07       1.69       
LEU     N        N        59971       98.56       177.62     121.82       3.86       

LYS     H        H        53010        4.11        12.03       8.17       0.59       
LYS     HA       H        38574        0.68         6.17       4.26       0.43       
LYS     HB2      H        34317       -0.58         4.05       1.78       0.24       
LYS     HB3      H        32429       -0.72         4.00       1.75       0.26       
LYS     HG2      H        31023       -0.98         3.61       1.37       0.25       
LYS     HG3      H        28666       -1.11         3.61       1.35       0.27       
LYS     HD2      H        27527       -1.68         3.19       1.60       0.21       
LYS     HD3      H        24831       -1.02         3.19       1.60       0.22       
LYS     HE2      H        27231        1.23         4.43       2.91       0.19       
LYS     HE3      H        24023        1.17         4.55       2.91       0.20       
LYS     HZ       H        973          1.95         9.90       7.39       0.66       
LYS     C        C        33340      166.63       185.00     176.72       1.92       
LYS     CA       C        45943       40.73        65.87      56.98       2.18       
LYS     CB       C        42677       21.19        46.60      32.76       1.77       
LYS     CG       C        26518       16.85        40.50      24.89       1.15       
LYS     CD       C        25007       15.37        42.70      28.95       1.12       
LYS     CE       C        24151       25.24        56.00      41.88       0.89       
LYS     N        N        49325      101.10       140.30     121.03       3.70       
LYS     NZ       N        68          29.48        43.69      33.21       1.73       

MET     H        H        15137        4.87        12.46       8.25       0.58       
MET     HA       H        11172        1.13         6.35       4.39       0.46       
MET     HB2      H        9956        -1.05         4.07       2.02       0.33       
MET     HB3      H        9364        -0.99         3.47       1.99       0.34       
MET     HG2      H        9111        -0.42         4.40       2.42       0.35       
MET     HG3      H        8610        -0.47         4.24       2.39       0.38       
MET     HE       H        6661        -0.71         8.38       1.89       0.40       
MET     C        C        10014      167.40       183.16     176.25       2.06       
MET     CA       C        14080       43.28        66.86      56.16       2.20       
MET     CB       C        12976       20.36        46.46      32.93       2.18       
MET     CG       C        7630        15.94        51.70      32.02       1.30       
MET     CE       C        5972        10.50        44.10      17.11       1.68       
MET     N        N        14481      102.80       138.55     120.10       3.49       

PHE     H        H        26931        3.55        12.18       8.34       0.71       
PHE     HA       H        18905        1.78         6.87       4.61       0.56       
PHE     HB2      H        17520        0.16         4.46       3.00       0.37       
PHE     HB3      H        17102       -0.21         4.69       2.94       0.39       
PHE     HD1      H        14568        4.47         8.15       7.06       0.31       
PHE     HD2      H        12475        4.47         8.15       7.06       0.31       
PHE     HE1      H        12660        4.38         8.80       7.08       0.31       
PHE     HE2      H        10990        4.38         8.80       7.08       0.31       
PHE     HZ       H        8929         4.32         9.50       6.99       0.41       
PHE     C        C        17161      166.85       184.93     175.49       1.98       
PHE     CA       C        23571       36.03        69.82      58.13       2.58       
PHE     CB       C        22067       25.52        55.62      39.93       2.06       
PHE     CG       C        212        127.24       152.84     138.39       2.88       
PHE     CD1      C        8611       116.95       143.16     131.59       1.22       
PHE     CD2      C        6363       115.55       138.70     131.59       1.21       
PHE     CE1      C        7495       114.75       139.56     130.73       1.31       
PHE     CE2      C        5541       114.70       139.70     130.76       1.20       
PHE     CZ       C        5738       115.10       139.13     129.21       1.48       
PHE     N        N        25317      102.20       139.02     120.37       4.14       

PRO     HA       H        21846        1.04         8.08       4.39       0.33       
PRO     HB2      H        20196       -0.75         4.59       2.08       0.35       
PRO     HB3      H        19617       -0.58         3.79       2.00       0.35       
PRO     HG2      H        18173       -0.77         4.42       1.93       0.31       
PRO     HG3      H        16868       -0.73         4.42       1.90       0.32       
PRO     HD2      H        18600        0.63         5.36       3.65       0.35       
PRO     HD3      H        17946        0.34         5.36       3.62       0.38       
PRO     C        C        18332      168.38       182.84     176.76       1.50       
PRO     CA       C        26271       33.20        72.28      63.35       1.53       
PRO     CB       C        24457       20.91        56.76      31.84       1.20       
PRO     CG       C        16218       18.28        50.75      27.19       1.11       
PRO     CD       C        16194       26.92        58.81      50.33       1.06       
PRO     N        N        926        110.49       145.26     134.96       5.88       

SER     H        H        46444        2.32        13.13       8.28       0.58       
SER     HA       H        33871        1.28         6.85       4.47       0.40       
SER     HB2      H        30864        1.70         5.45       3.87       0.25       
SER     HB3      H        28606        1.55         5.45       3.85       0.27       
SER     HG       H        496          0.13         8.97       5.39       1.05       
SER     C        C        30080      164.47       197.10     174.66       1.73       
SER     CA       C        42002       45.13        73.19      58.74       2.07       
SER     CB       C        38828       31.40        76.39      63.79       1.51       
SER     N        N        43566       95.97       133.68     116.27       3.49       

THR     H        H        40743        5.32        11.82       8.24       0.62       
THR     HA       H        29176        1.65         7.47       4.45       0.47       
THR     HB       H        26471        0.92         8.35       4.16       0.32       
THR     HG1      H        864          0.32         9.01       5.17       1.15       
THR     HG2      H        26261       -1.21         3.40       1.14       0.22       
THR     C        C        25869      165.50       184.43     174.57       1.73       
THR     CA       C        35815       48.01        72.80      62.25       2.59       
THR     CB       C        33130       29.97        81.53      69.70       1.73       
THR     CG2      C        21796       11.70        36.73      21.55       1.10       
THR     N        N        38394       95.77       138.27     115.36       4.72       

TRP     H        H        8624         5.16        11.76       8.27       0.77       
TRP     HA       H        6059         2.24         6.58       4.66       0.52       
TRP     HB2      H        5694         0.68         4.54       3.19       0.34       
TRP     HB3      H        5530         0.26         4.44       3.12       0.36       
TRP     HD1      H        5071         4.60         8.93       7.14       0.34       
TRP     HE1      H        5634         5.12        14.39      10.08       0.64       
TRP     HE3      H        4385         4.89         9.95       7.32       0.41       
TRP     HZ2      H        4727         4.66         8.60       7.28       0.32       
TRP     HZ3      H        4251         3.88         8.90       6.87       0.37       
TRP     HH2      H        4350         4.37        10.17       6.98       0.37       
TRP     C        C        5155       168.17       182.60     176.21       1.99       
TRP     CA       C        7186        43.50        81.00      57.74       2.55       
TRP     CB       C        6714        18.63        52.30      29.96       2.00       
TRP     CG       C        134        107.50       116.53     111.03       1.83       
TRP     CD1      C        3145       108.45       135.60     126.56       1.86       
TRP     CD2      C        105        120.20       132.62     127.82       1.61       
TRP     CE2      C        109        113.89       177.71     138.13       7.16       
TRP     CE3      C        2631        93.34       137.60     120.46       1.80       
TRP     CZ2      C        2998        81.81       134.70     114.26       1.45       
TRP     CZ3      C        2679        98.61       138.39     121.36       1.60       
TRP     CH2      C        2799        91.62       131.54     123.81       1.56       
TRP     N        N        7765       101.97       138.11     121.58       4.05       
TRP     NE1      N        4514       106.00       144.36     129.29       2.08       

TYR     H        H        22680        4.16        12.34       8.30       0.72       
TYR     HA       H        16227        1.19         6.83       4.60       0.56       
TYR     HB2      H        14979       -0.49         4.70       2.90       0.37       
TYR     HB3      H        14642       -0.19         4.70       2.84       0.39       
TYR     HD1      H        12989        4.68         8.54       6.93       0.30       
TYR     HD2      H        11318        4.43         8.54       6.93       0.29       
TYR     HE1      H        12324        4.58         7.85       6.70       0.23       
TYR     HE2      H        10839        4.56         8.50       6.70       0.23       
TYR     HH       H        221         -0.79        13.75       9.13       1.63       
TYR     C        C        13953      167.86       184.78     175.49       1.97       
TYR     CA       C        19448       44.64        69.56      58.18       2.50       
TYR     CB       C        17995       25.32        57.73      39.27       2.14       
TYR     CG       C        178        117.70       144.30     129.62       2.55       
TYR     CD1      C        7737       115.30       141.57     132.73       1.34       
TYR     CD2      C        5551       113.00       139.47     132.70       1.49       
TYR     CE1      C        7673       110.70       137.42     117.94       1.27       
TYR     CE2      C        5486       106.55       135.82     117.91       1.25       
TYR     CZ       C        141        153.54       160.45     156.86       1.48       
TYR     N        N        20815      100.09       144.96     120.49       4.10       

VAL     H        H        49823        3.98        12.59       8.28       0.67       
VAL     HA       H        35691        0.97         6.30       4.16       0.57       
VAL     HB       H        33056       -1.24         3.76       1.98       0.31       
VAL     HG1      H        32748       -1.13         2.57       0.83       0.26       
VAL     HG2      H        32097       -2.32         3.32       0.80       0.28       
VAL     C        C        32594      165.65       183.95     175.70       1.86       
VAL     CA       C        44292       44.98        70.34      62.56       2.84       
VAL     CB       C        40898       18.97        45.33      32.70       1.78       
VAL     CG1      C        28188       12.07        32.27      21.51       1.36       
VAL     CG2      C        27191       11.38        33.12      21.28       1.54       
VAL     N        N        47496       97.22       143.29     121.10       4.44