BMRB Logo

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules

Search Archive Validation Tools Deposit Data NMR Statistics Spectroscopists' Corner Programmers' Corner Home
Site Map FTP Access Structural Genomics
and other "omics"
Metabolomics Educational Outreach NMR Data Formats Useful NMR Links
[an error occurred while processing this directive]
Statistics menu

Statistics Calculated for All Chemical Shifts from Atoms in the 20 Common Amino Acids


The statistics presented in this table were calculated from the full BMRB database. This includes paramagnetic proteins, proteins with aromatic prosthetic groups, and entries where chemical shifts are reported relative to uncommon chemical shift references. The calculated statistics are drived from a total of 7980735 chemical shifts.

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: 12-07-2017
Amino   Atom    Atom     Number     Minimum     Maximum    Average    Standard    
Acid    Name    Type    of Shifts    Shift       Shift      Shift     Deviation   

ALA     H        H        73001       -0.91        69.23       8.19       0.65       
ALA     HA       H        52919       -2.52        17.87       4.25       0.45       
ALA     HB       H        50609      -14.04         5.48       1.35       0.28       
ALA     C        C        47180        0.04       187.20     177.74       3.39       
ALA     CA       C        64568       17.01       354.70      53.17       2.90       
ALA     CB       C        61156      -40.99       318.87      19.06       3.25       
ALA     N        N        69078        0.05       766.00     123.32       6.42       

ARG     H        H        48437        0.01       178.00       8.24       0.99       
ARG     HA       H        35949        1.21        12.57       4.29       0.47       
ARG     HB2      H        32748       -4.78        27.53       1.79       0.32       
ARG     HB3      H        30959       -1.13        27.53       1.76       0.33       
ARG     HG2      H        29354       -1.45         4.20       1.56       0.29       
ARG     HG3      H        27205       -1.30         5.47       1.54       0.30       
ARG     HD2      H        28840       -6.44         4.69       3.11       0.27       
ARG     HD3      H        26257       -0.69         4.79       3.09       0.29       
ARG     HE       H        9853         2.20       116.66       7.46       2.98       
ARG     HH11     H        917          4.41        10.68       6.93       0.55       
ARG     HH12     H        710          4.41        10.73       6.88       0.53       
ARG     HH21     H        789          1.23        11.35       6.82       0.66       
ARG     HH22     H        652          1.23        60.14       6.90       2.18       
ARG     C        C        29816        0.17       184.96     176.40       3.18       
ARG     CA       C        41838        8.37       358.12      56.79       3.51       
ARG     CB       C        39018       17.74       329.12      30.71       2.62       
ARG     CG       C        24395       12.17       328.29      27.26       3.20       
ARG     CD       C        24668       18.94       342.64      43.20       3.10       
ARG     CZ       C        666         43.20       184.50     160.23       6.68       
ARG     N        N        44586        0.13       433.81     120.78       4.90       
ARG     NE       N        6281       -23.15       149.11      90.21      13.90       
ARG     NH1      N        246          6.45       124.79      79.10      13.89       
ARG     NH2      N        220         66.20       128.47      79.00      14.56       

ASP     H        H        57850       -0.35        25.88       8.30       0.60       
ASP     HA       H        42016       -3.75         8.66       4.59       0.33       
ASP     HB2      H        39366       -5.20        37.40       2.72       0.53       
ASP     HB3      H        37816       -1.46        37.20       2.67       0.54       
ASP     HD2      H        14           1.16        12.30       5.24       2.98       
ASP     C        C        36936        0.11       219.00     176.37       3.49       
ASP     CA       C        51034        5.63       354.53      54.69       2.84       
ASP     CB       C        48375        9.70       341.27      40.89       2.70       
ASP     CG       C        826          2.64       186.50     177.67      16.28       
ASP     N        N        55082        0.06       428.09     120.67       4.82       

ASN     H        H        40209        0.01       448.00       8.34       2.37       
ASN     HA       H        30012        0.90         7.11       4.66       0.37       
ASN     HB2      H        28233       -0.77         8.88       2.80       0.34       
ASN     HB3      H        27238       -0.95         5.14       2.74       0.36       
ASN     HD21     H        21409        0.78       111.32       7.34       0.88       
ASN     HD22     H        21164        1.47       111.32       7.15       0.89       
ASN     C        C        25283        0.11       185.30     175.24       3.04       
ASN     CA       C        35437        2.20       354.02      53.56       3.74       
ASN     CB       C        33624        1.96       342.80      38.74       3.84       
ASN     CG       C        2431         0.00       183.80     176.37       7.49       
ASN     N        N        37401        0.04       426.31     118.93       5.39       
ASN     ND2      N        18495       21.04      1114.29     112.93      13.23       

CYS     H        H        20415        3.72        12.66       8.38       0.70       
CYS     HA       H        17205       -9.86        43.50       4.68       1.02       
CYS     HB2      H        16641      -39.82       363.58       3.16       6.73       
CYS     HB3      H        16216      -44.20       363.58       3.08       6.10       
CYS     HG       H        207          0.10        10.70       2.06       1.35       
CYS     C        C        9853         1.00       187.59     174.81       3.33       
CYS     CA       C        14574       30.67        82.30      58.04       3.45       
CYS     CB       C        13878       17.99        73.92      33.25       6.43       
CYS     N        N        15947     -147.00       628.00     120.49      19.74       

GLU     H        H        74726        0.01       122.90       8.33       0.79       
GLU     HA       H        54595        0.43        31.32       4.24       0.43       
GLU     HB2      H        49654       -1.47         4.82       2.02       0.22       
GLU     HB3      H        46675       -1.63         4.08       1.99       0.23       
GLU     HG2      H        45964       -0.67         4.69       2.26       0.22       
GLU     HG3      H        42740       -0.10         4.69       2.24       0.23       
GLU     HE2      H        15           0.80        11.96       5.09       2.70       
GLU     C        C        48761        0.07       190.58     176.83       3.99       
GLU     CA       C        66403        1.06       360.83      57.34       3.44       
GLU     CB       C        62080        9.08       330.83      30.03       3.36       
GLU     CG       C        40655        6.16       337.23      36.14       3.10       
GLU     CD       C        852          7.02       198.61     180.93      14.90       
GLU     N        N        71462        0.04       429.00     120.69       5.06       

GLN     H        H        40747        0.01        66.54       8.22       0.67       
GLN     HA       H        29893        1.57         7.43       4.27       0.43       
GLN     HB2      H        27280       -1.51        10.46       2.04       0.28       
GLN     HB3      H        25952       -1.50        20.90       2.01       0.33       
GLN     HG2      H        25536       -1.76        33.60       2.31       0.35       
GLN     HG3      H        23646       -1.40        34.95       2.29       0.37       
GLN     HE21     H        19416       -3.41        23.89       7.21       0.50       
GLN     HE22     H        19313        2.10       113.70       7.04       0.91       
GLN     C        C        26386        0.07      1756.00     176.35      10.29       
GLN     CA       C        36524        1.73       356.83      56.57       2.73       
GLN     CB       C        34257        1.84       328.29      29.21       2.64       
GLN     CG       C        22423        2.10       333.03      33.81       2.69       
GLN     CD       C        2337         6.79       183.54     179.32       7.40       
GLN     N        N        38763        0.08       418.06     119.91       4.22       
GLN     NE2      N        17449       33.90       412.16     111.88       3.09       

GLY     H        H        72445      -15.30       112.83       8.33       0.89       
GLY     HA2      H        52167       -3.40         8.64       3.96       0.40       
GLY     HA3      H        49792       -3.94         7.69       3.89       0.41       
GLY     C        C        46097        1.00       189.53     173.83       3.63       
GLY     CA       C        64308        2.20       344.99      45.38       2.29       
GLY     N        N        67624        0.20       791.00     109.72       7.56       

HIS     H        H        20969       -0.30        13.34       8.26       0.74       
HIS     HA       H        15961        0.68        30.68       4.62       0.61       
HIS     HB2      H        14924       -2.17        45.90       3.16       1.15       
HIS     HB3      H        14513       -6.20        38.50       3.10       1.10       
HIS     HD1      H        949        -15.00        86.50      10.15       8.85       
HIS     HD2      H        10637      -25.85        67.80       7.17       3.42       
HIS     HE1      H        8421       -26.60       134.81       7.82       2.66       
HIS     HE2      H        365        -15.00        76.40      11.22       8.11       
HIS     C        C        13092        1.00       184.20     175.13       4.51       
HIS     CA       C        18842       11.40       355.08      56.52       3.52       
HIS     CB       C        17712       17.80       329.05      30.32       3.30       
HIS     CG       C        202         60.97       139.83     131.31       7.40       
HIS     CD2      C        6805         7.19       159.95     119.90       5.91       
HIS     CE1      C        5352         8.20       166.28     137.21       5.96       
HIS     N        N        19436        0.20       427.15     119.67       5.25       
HIS     ND1      N        718         31.03       261.01     192.94      33.67       
HIS     NE2      N        661         17.00       257.57     180.80      20.88       

ILE     H        H        50406        0.01       174.75       8.27       1.02       
ILE     HA       H        36981       -9.00       173.54       4.17       1.05       
ILE     HB       H        34949       -2.44        38.70       1.78       0.41       
ILE     HG12     H        31801      -10.10         5.56       1.26       0.46       
ILE     HG13     H        30583      -10.10         9.71       1.19       0.49       
ILE     HG2      H        33428       -3.92         6.23       0.77       0.31       
ILE     HD1      H        34228       -4.15        13.89       0.67       0.34       
ILE     C        C        32630        0.00       187.55     175.80       4.35       
ILE     CA       C        44989       20.88       362.18      61.62       3.46       
ILE     CB       C        42118      -34.48       339.79      38.61       3.06       
ILE     CG1      C        27813        8.00       329.29      27.75       3.49       
ILE     CG2      C        29558        0.79       317.62      17.62       3.41       
ILE     CD1      C        30283        2.70       314.60      13.53       3.68       
ILE     N        N        47877        0.00       531.00     121.44       6.27       

LEU     H        H        83457       -0.30       125.18       8.22       0.77       
LEU     HA       H        60700        0.00       119.41       4.31       0.66       
LEU     HB2      H        55980       -1.52         8.02       1.61       0.36       
LEU     HB3      H        53683       -1.79         8.39       1.52       0.38       
LEU     HG       H        49796       -2.08         5.70       1.50       0.35       
LEU     HD1      H        55929       -3.42        30.18       0.75       0.34       
LEU     HD2      H        53776       -3.42        24.50       0.72       0.37       
LEU     C        C        53864        0.07       228.49     176.98       3.61       
LEU     CA       C        74184        1.06       158.32      55.65       2.25       
LEU     CB       C        69550        7.44        93.18      42.27       2.04       
LEU     CG       C        42956        0.00        75.28      26.81       1.54       
LEU     CD1      C        47935        0.68       120.70      24.69       2.10       
LEU     CD2      C        45789        0.28       116.30      24.11       2.19       
LEU     N        N        79050        0.04       627.00     121.97       8.32       

LYS     H        H        70591        0.00       120.62       8.18       0.78       
LYS     HA       H        52401       -0.12        32.65       4.26       0.46       
LYS     HB2      H        47276       -1.42        35.97       1.77       0.31       
LYS     HB3      H        44518       -3.04        35.97       1.74       0.33       
LYS     HG2      H        42809       -1.65        29.88       1.36       0.31       
LYS     HG3      H        39388       -1.83        29.88       1.35       0.32       
LYS     HD2      H        38061       -1.68       119.62       1.61       0.71       
LYS     HD3      H        34002       -2.02        41.68       1.59       0.35       
LYS     HE2      H        37478       -0.49         8.37       2.91       0.22       
LYS     HE3      H        32897       -0.05         7.34       2.90       0.22       
LYS     HZ       H        1468       -10.90        10.51       7.32       1.10       
LYS     C        C        43715        0.11       996.25     176.59       5.98       
LYS     CA       C        60677        1.16       359.22      56.94       3.36       
LYS     CB       C        56613      -26.69       332.99      32.81       3.09       
LYS     CG       C        36268        2.90       325.49      24.97       3.31       
LYS     CD       C        34215        0.83       329.28      28.99       2.77       
LYS     CE       C        33104       -0.13       342.33      41.92       3.22       
LYS     N        N        65387        0.04       427.25     121.02       4.89       
LYS     NZ       N        270          1.95       177.20      47.46      29.17       

MET     H        H        19949       -0.21       177.00       8.26       1.34       
MET     HA       H        15082       -0.93       313.57       4.41       2.56       
MET     HB2      H        13568      -27.31        33.75       2.02       0.60       
MET     HB3      H        12790      -27.31        12.94       1.99       0.54       
MET     HG2      H        12465      -33.86        32.70       2.36       1.65       
MET     HG3      H        11776      -33.86        31.70       2.33       1.77       
MET     HE       H        9324       -24.86        10.20       1.74       1.80       
MET     C        C        13200        2.20       183.25     176.17       3.59       
MET     CA       C        18597        4.37        85.33      56.13       2.34       
MET     CB       C        17209        0.20       332.17      32.98       3.38       
MET     CG       C        10547        2.30       332.69      32.07       3.40       
MET     CE       C        8291         8.90       317.65      17.27       4.51       
MET     N        N        19140        0.20       428.25     120.06       5.18       

PHE     H        H        36174       -0.50       175.07       8.34       1.14       
PHE     HA       H        26186        1.45        59.70       4.62       0.74       
PHE     HB2      H        24513        0.16         7.98       2.99       0.38       
PHE     HB3      H        23917       -0.21        12.72       2.93       0.40       
PHE     HD1      H        20631        0.60        12.15       7.04       0.41       
PHE     HD2      H        17448        0.60        12.15       7.03       0.42       
PHE     HE1      H        18054       -2.84        14.08       7.06       0.47       
PHE     HE2      H        15467        0.14        12.90       7.06       0.46       
PHE     HZ       H        12851       -7.14        43.62       6.99       0.74       
PHE     C        C        22913        0.09       187.61     175.45       3.22       
PHE     CA       C        31654        4.92       363.62      58.11       4.01       
PHE     CB       C        29798        2.16       341.70      39.98       3.82       
PHE     CG       C        345          7.23       152.84     137.40      11.20       
PHE     CD1      C        12078        7.16       143.45     131.13       6.28       
PHE     CD2      C        8811         7.16       138.70     131.32       4.64       
PHE     CE1      C        10539        0.00       144.99     130.28       6.11       
PHE     CE2      C        7682         7.47       139.70     130.52       4.06       
PHE     CZ       C        8086         7.35       139.13     128.98       4.33       
PHE     N        N        34022        0.07       422.84     120.40       5.63       

PRO     H2       H        5            8.07         9.67       8.76       0.71       
PRO     HA       H        29954        0.64       135.80       4.39       0.84       
PRO     HB2      H        27933       -1.50         5.63       2.07       0.37       
PRO     HB3      H        27102       -3.48         6.10       1.99       0.39       
PRO     HG2      H        25223       -2.35         7.40       1.92       0.35       
PRO     HG3      H        23416       -1.52         4.92       1.89       0.36       
PRO     HD2      H        25908       -6.56         7.67       3.63       0.46       
PRO     HD3      H        25016       -6.56         8.87       3.60       0.48       
PRO     C        C        24267        0.00       183.52     176.64       4.22       
PRO     CA       C        35068        0.00       363.09      63.34       4.04       
PRO     CB       C        32874        0.00       333.59      31.89       3.38       
PRO     CG       C        22329        2.44       327.40      27.29       3.92       
PRO     CD       C        22424        1.16       350.65      50.34       3.38       
PRO     N        N        1531         3.57       430.00     135.36      28.78       

SER     H        H        60924      -15.30       999.99       8.29       4.06       
SER     HA       H        45663        1.28        58.74       4.48       0.48       
SER     HB2      H        41890        0.61         9.18       3.87       0.28       
SER     HB3      H        38873        0.61         7.77       3.84       0.29       
SER     HG       H        778          0.13        11.36       5.44       1.22       
SER     C        C        39540        0.00       197.10     174.59       3.23       
SER     CA       C        55366        4.33       361.28      58.70       2.91       
SER     CB       C        51437     -939.28       365.09      63.71       5.36       
SER     N        N        57229        0.00       999.99     116.31       5.73       

THR     H        H        54337        0.02       175.50       8.24       1.07       
THR     HA       H        39994       -1.50        54.90       4.45       0.54       
THR     HB       H        36865        0.09        73.47       4.17       0.79       
THR     HG1      H        1418        -0.26        11.01       5.27       1.34       
THR     HG2      H        36578      -12.10        22.21       1.14       0.32       
THR     C        C        34374        4.78       185.92     174.46       4.06       
THR     CA       C        47867        0.97        92.66      62.21       2.79       
THR     CB       C        44548     -939.28       629.21      69.59       6.08       
THR     CG2      C        30460        7.18       175.60      21.59       1.96       
THR     N        N        51267        0.00       402.00     115.42       6.60       

TRP     H        H        12190        3.42        59.40       8.28       0.91       
TRP     HA       H        8913         2.24        11.41       4.68       0.54       
TRP     HB2      H        8461         0.42         5.35       3.18       0.35       
TRP     HB3      H        8228        -0.38         7.97       3.12       0.37       
TRP     HD1      H        7583         1.88        10.75       7.13       0.37       
TRP     HE1      H        8320        -1.28       131.71      10.09       1.51       
TRP     HE3      H        6583         1.85        11.36       7.29       0.53       
TRP     HZ2      H        7141         2.63        10.81       7.26       0.42       
TRP     HZ3      H        6361         0.76         8.90       6.84       0.48       
TRP     HH2      H        6554         2.84        10.90       6.95       0.46       
TRP     C        C        7337         2.50       184.30     176.08       4.61       
TRP     CA       C        10195        2.97       362.10      57.75       5.22       
TRP     CB       C        9580         1.60       328.80      30.13       5.07       
TRP     CG       C        222          4.17       116.53     109.96       9.70       
TRP     CD1      C        4761        30.24       158.33     126.27       4.59       
TRP     CD2      C        164          1.58       155.17     126.75      13.95       
TRP     CE2      C        218         56.42       177.71     137.61      10.23       
TRP     CE3      C        3981       -10.87       174.81     120.10       5.76       
TRP     CZ2      C        4565         7.11       144.03     113.99       4.76       
TRP     CZ3      C        4012        -8.70       161.54     121.10       4.82       
TRP     CH2      C        4223        -6.33       160.82     123.50       5.25       
TRP     N        N        11030        6.71       423.16     121.68       6.36       
TRP     NE1      N        6787         0.53       435.96     129.27       6.60       

TYR     H        H        30965        0.02        12.34       8.30       0.74       
TYR     HA       H        22673        0.44         7.16       4.61       0.57       
TYR     HB2      H        21207      -21.23        23.28       2.90       0.48       
TYR     HB3      H        20739      -21.23        23.28       2.83       0.49       
TYR     HD1      H        18356        0.19         9.39       6.92       0.38       
TYR     HD2      H        15646        0.55        10.50       6.91       0.38       
TYR     HE1      H        17409        0.08        11.80       6.69       0.31       
TYR     HE2      H        14957        0.43        11.70       6.69       0.32       
TYR     HH       H        407         -0.79        31.00       9.08       2.13       
TYR     C        C        18987        2.20       184.78     175.38       4.26       
TYR     CA       C        26488        2.20       357.68      58.14       3.18       
TYR     CB       C        24665       18.38       338.69      39.32       3.21       
TYR     CG       C        310          7.11       999.99     131.00      50.66       
TYR     CD1      C        11002       19.59       141.57     132.35       5.40       
TYR     CD2      C        7677         3.49       139.64     132.36       5.33       
TYR     CE1      C        10856       40.44       177.72     117.69       4.11       
TYR     CE2      C        7578        34.12       154.10     117.75       3.26       
TYR     CZ       C        264          6.84       165.72     155.36      14.30       
TYR     N        N        28555        0.20       818.00     120.82      12.88       

VAL     H        H        66433       -0.41        15.05       8.28       0.68       
VAL     HA       H        48727       -2.83        54.97       4.17       0.64       
VAL     HB       H        45660      -27.48        31.75       1.98       0.46       
VAL     HG1      H        45346      -27.20        24.20       0.82       0.34       
VAL     HG2      H        44529      -27.20        56.56       0.80       0.44       
VAL     C        C        43259        1.00       205.70     175.64       3.05       
VAL     CA       C        59247       20.67       362.06      62.50       3.24       
VAL     CB       C        55050       15.60       331.75      32.74       2.44       
VAL     CG1      C        39209       -7.40       321.19      21.56       2.53       
VAL     CG2      C        37888       -5.65       320.42      21.34       2.63       
VAL     N        N        63437        0.20       529.00     121.18       7.79