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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 7991412 possible chemical shifts in the BMRB database, 5987312 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: 02-02-2018
Amino   Atom    Atom     Number     Minimum     Maximum    Average    Standard    
Acid    Name    Type    of Shifts    Shift       Shift      Shift     Deviation   

ALA     H        H        56126        3.53        12.11       8.19       0.58       
ALA     HA       H        39411        0.87         6.51       4.24       0.43       
ALA     HB       H        37188       -0.83         3.12       1.36       0.24       
ALA     C        C        36904      164.48       187.20     177.81       2.07       
ALA     CA       C        50118       39.92        67.02      53.18       1.94       
ALA     CB       C        46987        6.61        43.14      18.96       1.78       
ALA     N        N        53331       98.05       142.81     123.29       3.46       

ARG     H        H        37095        3.57        12.69       8.23       0.61       
ARG     HA       H        26647        1.29         6.62       4.29       0.45       
ARG     HB2      H        24034       -0.61         3.74       1.80       0.26       
ARG     HB3      H        22748       -0.74         3.74       1.76       0.27       
ARG     HG2      H        21453       -0.64         3.51       1.57       0.27       
ARG     HG3      H        19895       -0.74         3.51       1.55       0.28       
ARG     HD2      H        21051        1.04         4.69       3.12       0.23       
ARG     HD3      H        19200        0.85         4.69       3.10       0.25       
ARG     HE       H        6402         2.20        11.88       7.36       0.58       
ARG     HH11     H        566          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        403          5.92        10.19       6.83       0.49       
ARG     C        C        23028      167.44       184.51     176.48       2.00       
ARG     CA       C        32108       35.70        67.98      56.81       2.30       
ARG     CB       C        29788       20.78        42.50      30.64       1.81       
ARG     CG       C        17890       18.22        49.39      27.22       1.20       
ARG     CD       C        18086       27.12        50.88      43.15       0.93       
ARG     CZ       C        462        113.28       179.92     160.04       3.88       
ARG     N        N        34209      102.78       137.60     120.80       3.64       
ARG     NE       N        3851        67.00        99.81      84.59       1.61       
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        44071        4.06        12.68       8.30       0.56       
ASP     HA       H        30915        2.33         6.67       4.58       0.31       
ASP     HB2      H        28662       -0.39         4.60       2.71       0.26       
ASP     HB3      H        27511       -0.23         4.58       2.66       0.27       
ASP     HD2      H        2            4.65         9.29       6.97       3.28       
ASP     C        C        28298      166.80       182.70     176.44       1.71       
ASP     CA       C        39047       41.11        67.17      54.70       2.03       
ASP     CB       C        36744       26.50        58.51      40.87       1.61       
ASP     CG       C        481        170.72       186.50     179.30       1.82       
ASP     N        N        42071      101.90       143.52     120.68       3.79       

ASN     H        H        30937        3.46        12.68       8.32       0.61       
ASN     HA       H        22291        2.04         6.60       4.66       0.35       
ASN     HB2      H        20758        0.22         4.47       2.80       0.31       
ASN     HB3      H        19989       -0.07         4.77       2.75       0.33       
ASN     HD21     H        15349        2.06        10.92       7.32       0.49       
ASN     HD22     H        15133        2.58        10.92       7.15       0.50       
ASN     C        C        19667      167.75       185.30     175.31       1.76       
ASN     CA       C        27366       41.20        66.21      53.55       1.86       
ASN     CB       C        25814       26.45        57.35      38.69       1.66       
ASN     CG       C        1734       166.40       183.80     176.79       1.38       
ASN     N        N        28811      101.71       137.49     118.91       3.92       
ASN     ND2      N        13152       99.40       134.50     112.76       2.27       

CYS     H        H        15545        4.38        12.66       8.38       0.68       
CYS     HA       H        12875        1.64         6.45       4.65       0.54       
CYS     HB2      H        12382       -0.54         4.72       2.95       0.44       
CYS     HB3      H        12067       -0.83         4.77       2.89       0.45       
CYS     HG       H        141          0.10         7.39       2.02       1.11       
CYS     C        C        7657       166.73       187.59     174.91       2.04       
CYS     CA       C        11050       41.51        68.07      58.14       3.43       
CYS     CB       C        10457       17.99        63.89      33.08       6.37       
CYS     N        N        11999      100.48       138.68     120.12       4.47       

GLU     H        H        57619        4.29        12.69       8.33       0.58       
GLU     HA       H        40678        1.39         6.32       4.24       0.40       
GLU     HB2      H        36564        0.34         3.37       2.02       0.21       
GLU     HB3      H        34359        0.27         3.47       2.00       0.21       
GLU     HG2      H        33728        0.53         3.77       2.27       0.21       
GLU     HG3      H        31416        0.56         3.83       2.25       0.21       
GLU     HE2      H        3            2.73         2.93       2.82       0.10       
GLU     C        C        37855      166.80       183.52     176.93       1.90       
GLU     CA       C        51328       44.35        70.38      57.35       2.07       
GLU     CB       C        47684       18.36        49.56      29.96       1.70       
GLU     CG       C        29935       25.06        54.83      36.10       1.21       
GLU     CD       C        550        173.41       189.46     182.26       2.46       
GLU     N        N        55298      101.34       138.60     120.71       3.44       

GLN     H        H        31895        3.51        12.22       8.22       0.58       
GLN     HA       H        22619        1.57         6.44       4.26       0.42       
GLN     HB2      H        20439       -0.14         4.00       2.04       0.25       
GLN     HB3      H        19470       -0.58         4.04       2.01       0.27       
GLN     HG2      H        19044       -0.11         4.44       2.31       0.26       
GLN     HG3      H        17618       -0.41         4.44       2.29       0.28       
GLN     HE21     H        14144        3.39        11.11       7.22       0.44       
GLN     HE22     H        14072        3.59        10.35       7.04       0.43       
GLN     C        C        20819      168.09       185.31     176.36       1.91       
GLN     CA       C        28701       43.45        66.60      56.60       2.10       
GLN     CB       C        26741       18.43        43.65      29.16       1.80       
GLN     CG       C        16806       21.64        51.08      33.78       1.11       
GLN     CD       C        1650       171.37       183.54     179.73       1.22       
GLN     N        N        30374      103.88       139.55     119.93       3.53       
GLN     NE2      N        12666       92.49       133.30     111.86       1.68       

GLY     H        H        55459        3.34        12.22       8.33       0.63       
GLY     HA2      H        38399        0.84         6.98       3.96       0.37       
GLY     HA3      H        36496        0.74         6.98       3.90       0.37       
GLY     C        C        35707      163.27       184.89     173.91       1.84       
GLY     CA       C        49588       33.15        60.91      45.37       1.30       
GLY     N        N        51815       93.60       162.19     109.59       3.68       

HIS     H        H        15630        3.97        12.39       8.25       0.67       
HIS     HA       H        11517        1.93         8.90       4.60       0.43       
HIS     HB2      H        10646       -0.04         8.70       3.11       0.35       
HIS     HB3      H        10327       -0.39         8.70       3.05       0.37       
HIS     HD1      H        466          2.73        17.20       8.59       2.47       
HIS     HD2      H        7430         3.65         9.42       7.00       0.41       
HIS     HE1      H        5798         3.21        10.88       7.96       0.48       
HIS     HE2      H        184          6.57        16.53       9.62       2.41       
HIS     C        C        10043      166.90       183.12     175.26       1.94       
HIS     CA       C        14319       43.31        77.56      56.51       2.31       
HIS     CB       C        13368       18.75        54.90      30.24       2.10       
HIS     CG       C        112        117.54       139.56     131.98       3.24       
HIS     CD2      C        4893       110.52       159.95     120.39       3.37       
HIS     CE1      C        3752       104.67       145.42     137.64       2.25       
HIS     N        N        14607      103.99       136.48     119.70       4.01       
HIS     ND1      N        246        164.31       229.14     193.41      18.39       
HIS     NE2      N        255        161.10       226.76     184.63      16.58       

ILE     H        H        38919        3.75        11.87       8.26       0.68       
ILE     HA       H        27604        1.32         6.36       4.16       0.55       
ILE     HB       H        25869       -1.28         3.87       1.78       0.29       
ILE     HG12     H        23351       -2.12         2.69       1.28       0.40       
ILE     HG13     H        22451       -2.07         2.99       1.20       0.41       
ILE     HG2      H        24576       -1.47         2.20       0.78       0.27       
ILE     HD1      H        25173       -1.47         2.82       0.68       0.28       
ILE     C        C        25335      166.40       187.55     175.93       1.90       
ILE     CA       C        34741       43.84        71.86      61.68       2.68       
ILE     CB       C        32318       18.10        51.88      38.57       2.00       
ILE     CG1      C        20521        8.77        42.09      27.74       1.70       
ILE     CG2      C        21743        3.45        37.01      17.53       1.34       
ILE     CD1      C        22263        4.94        29.60      13.41       1.66       
ILE     N        N        36960       99.00       138.12     121.42       4.22       

LEU     H        H        64806        4.08        13.22       8.22       0.63       
LEU     HA       H        45644        1.72         6.42       4.30       0.46       
LEU     HB2      H        41767       -1.21         4.13       1.61       0.34       
LEU     HB3      H        39985       -1.41         3.23       1.52       0.36       
LEU     HG       H        36752       -1.06         3.90       1.51       0.33       
LEU     HD1      H        41589       -1.73         2.36       0.75       0.27       
LEU     HD2      H        39941       -1.74         2.15       0.73       0.28       
LEU     C        C        42035      166.22       189.78     177.07       1.94       
LEU     CA       C        57619       42.69        67.88      55.69       2.12       
LEU     CB       C        53714       26.40        53.70      42.25       1.85       
LEU     CG       C        31950       15.30        38.62      26.78       1.10       
LEU     CD1      C        35624       10.95        36.85      24.66       1.59       
LEU     CD2      C        33961        9.86        30.40      24.07       1.69       
LEU     N        N        61336       98.56       177.62     121.83       3.86       

LYS     H        H        54188        4.11        12.03       8.18       0.60       
LYS     HA       H        39157        0.68         6.17       4.26       0.43       
LYS     HB2      H        34819       -0.25         3.82       1.78       0.24       
LYS     HB3      H        32889       -0.45         3.82       1.75       0.26       
LYS     HG2      H        31459       -0.69         3.13       1.37       0.25       
LYS     HG3      H        29056       -0.87         3.05       1.35       0.27       
LYS     HD2      H        27914       -1.68         3.19       1.61       0.21       
LYS     HD3      H        25185       -0.57         3.19       1.60       0.21       
LYS     HE2      H        27623        1.23         4.43       2.91       0.19       
LYS     HE3      H        24397        1.17         4.55       2.91       0.20       
LYS     HZ       H        982          1.95         9.90       7.38       0.67       
LYS     C        C        34221      166.63       185.00     176.72       1.91       
LYS     CA       C        47135       40.73        65.87      56.98       2.17       
LYS     CB       C        43718       21.19        46.60      32.76       1.77       
LYS     CG       C        26942       16.85        40.50      24.90       1.13       
LYS     CD       C        25407       15.37        42.70      28.96       1.10       
LYS     CE       C        24516       25.24        56.00      41.88       0.88       
LYS     N        N        50533      101.10       140.30     121.03       3.70       
LYS     NZ       N        69          29.48        35.90      33.07       1.15       

MET     H        H        15486        4.87        12.46       8.25       0.58       
MET     HA       H        11368        1.13         6.35       4.39       0.46       
MET     HB2      H        10120       -1.05         4.07       2.02       0.33       
MET     HB3      H        9504        -0.99         3.47       1.99       0.34       
MET     HG2      H        9253        -0.42         4.40       2.42       0.35       
MET     HG3      H        8747        -0.47         4.24       2.39       0.38       
MET     HE       H        6767        -0.71         8.38       1.89       0.40       
MET     C        C        10303      167.40       183.16     176.26       2.05       
MET     CA       C        14461       43.28        66.86      56.16       2.20       
MET     CB       C        13303       20.36        46.46      32.92       2.17       
MET     CG       C        7784        15.94        51.70      32.03       1.28       
MET     CE       C        6071        10.50        44.10      17.10       1.68       
MET     N        N        14837      102.80       138.55     120.10       3.48       

PHE     H        H        27496        3.55        12.18       8.34       0.71       
PHE     HA       H        19135        1.78         6.87       4.61       0.56       
PHE     HB2      H        17718        0.16         4.46       3.00       0.37       
PHE     HB3      H        17305       -0.21         4.69       2.94       0.39       
PHE     HD1      H        14703        4.47         8.15       7.06       0.31       
PHE     HD2      H        12582        4.47         8.15       7.06       0.31       
PHE     HE1      H        12747        4.38         8.80       7.08       0.31       
PHE     HE2      H        11060        4.38         8.80       7.08       0.31       
PHE     HZ       H        9003         4.32         9.50       6.99       0.41       
PHE     C        C        17566      166.85       184.93     175.50       1.97       
PHE     CA       C        24139       36.03        69.82      58.14       2.58       
PHE     CB       C        22538       25.52        55.62      39.93       2.06       
PHE     CG       C        218        127.24       152.84     138.35       2.86       
PHE     CD1      C        8705       116.95       143.16     131.58       1.22       
PHE     CD2      C        6421       115.55       138.70     131.58       1.22       
PHE     CE1      C        7554       114.75       139.56     130.73       1.31       
PHE     CE2      C        5573       114.70       139.70     130.76       1.20       
PHE     CZ       C        5786       115.10       139.13     129.21       1.49       
PHE     N        N        25894      102.20       139.02     120.38       4.13       

PRO     HA       H        22122        1.04         8.08       4.39       0.33       
PRO     HB2      H        20425       -0.75         4.59       2.08       0.35       
PRO     HB3      H        19831       -0.58         3.79       2.00       0.35       
PRO     HG2      H        18326       -0.77         4.42       1.93       0.31       
PRO     HG3      H        17008       -0.73         4.42       1.90       0.32       
PRO     HD2      H        18751        0.63         5.36       3.65       0.35       
PRO     HD3      H        18092        0.34         5.36       3.62       0.38       
PRO     C        C        18836      168.38       182.84     176.76       1.48       
PRO     CA       C        26842       48.56        72.28      63.35       1.51       
PRO     CB       C        25002       20.91        56.76      31.85       1.19       
PRO     CG       C        16398       18.28        50.75      27.20       1.10       
PRO     CD       C        16374       26.92        58.81      50.33       1.06       
PRO     N        N        1029       110.49       145.26     135.20       5.67       

SER     H        H        47401        3.76        12.52       8.28       0.58       
SER     HA       H        34219        1.28         6.85       4.47       0.40       
SER     HB2      H        31153        1.70         5.45       3.87       0.25       
SER     HB3      H        28881        1.55         5.45       3.85       0.27       
SER     HG       H        500          0.13         8.97       5.37       1.06       
SER     C        C        30877      164.47       197.10     174.66       1.73       
SER     CA       C        43036       45.13        73.19      58.74       2.07       
SER     CB       C        39699       31.40        76.39      63.80       1.51       
SER     N        N        44586       95.97       133.68     116.28       3.49       

THR     H        H        41742        5.32        11.80       8.24       0.62       
THR     HA       H        29623        1.65         7.47       4.45       0.47       
THR     HB       H        26854        0.92         8.35       4.16       0.32       
THR     HG1      H        878          0.32         9.01       5.14       1.18       
THR     HG2      H        26585       -0.97         3.28       1.14       0.22       
THR     C        C        26628      165.50       184.43     174.58       1.72       
THR     CA       C        36832       48.01        72.80      62.25       2.58       
THR     CB       C        33990       29.97        81.53      69.71       1.72       
THR     CG2      C        22148       11.70        36.73      21.55       1.10       
THR     N        N        39437       95.77       138.27     115.35       4.72       

TRP     H        H        8738         5.16        11.76       8.27       0.77       
TRP     HA       H        6073         2.24         6.58       4.66       0.52       
TRP     HB2      H        5700         0.68         4.54       3.19       0.34       
TRP     HB3      H        5535         0.26         4.44       3.12       0.36       
TRP     HD1      H        5068         4.60         8.93       7.14       0.34       
TRP     HE1      H        5616         5.12        14.39      10.08       0.64       
TRP     HE3      H        4392         4.89         9.95       7.32       0.41       
TRP     HZ2      H        4733         4.66         8.56       7.28       0.32       
TRP     HZ3      H        4248         3.88         8.90       6.87       0.37       
TRP     HH2      H        4359         4.37        10.17       6.98       0.36       
TRP     C        C        5258       168.17       182.60     176.21       1.98       
TRP     CA       C        7320        43.50        81.00      57.73       2.53       
TRP     CB       C        6815        18.63        52.30      29.97       1.99       
TRP     CG       C        135        107.50       116.53     111.03       1.83       
TRP     CD1      C        3140       108.45       135.60     126.56       1.86       
TRP     CD2      C        108        120.00       132.62     127.71       1.84       
TRP     CE2      C        110        113.89       177.71     138.07       7.16       
TRP     CE3      C        2631        93.34       137.60     120.47       1.83       
TRP     CZ2      C        3003        81.81       134.70     114.26       1.45       
TRP     CZ3      C        2668        98.61       138.39     121.36       1.61       
TRP     CH2      C        2805        91.62       131.54     123.81       1.57       
TRP     N        N        7884       101.97       138.11     121.59       4.05       
TRP     NE1      N        4505       106.00       144.36     129.28       2.07       

TYR     H        H        23191        4.16        12.34       8.30       0.72       
TYR     HA       H        16442        1.19         6.83       4.60       0.56       
TYR     HB2      H        15168       -0.49         4.70       2.90       0.37       
TYR     HB3      H        14818       -0.19         4.70       2.84       0.39       
TYR     HD1      H        13104        4.68         8.54       6.93       0.30       
TYR     HD2      H        11402        4.43         8.54       6.93       0.29       
TYR     HE1      H        12425        4.58         7.85       6.70       0.23       
TYR     HE2      H        10907        4.56         8.50       6.70       0.23       
TYR     HH       H        223         -0.79        13.75       9.14       1.62       
TYR     C        C        14340      167.86       184.78     175.51       1.95       
TYR     CA       C        19962       44.64        69.56      58.19       2.49       
TYR     CB       C        18451       25.32        57.73      39.27       2.14       
TYR     CG       C        190        117.70       144.30     129.53       2.53       
TYR     CD1      C        7821       115.30       141.57     132.73       1.35       
TYR     CD2      C        5591       113.00       139.47     132.70       1.49       
TYR     CE1      C        7749       110.70       137.42     117.94       1.26       
TYR     CE2      C        5520       106.55       135.82     117.91       1.25       
TYR     CZ       C        154        153.54       160.45     156.82       1.48       
TYR     N        N        21336      100.09       144.96     120.49       4.09       

VAL     H        H        51027        3.98        12.59       8.28       0.66       
VAL     HA       H        36238        0.97         6.30       4.16       0.57       
VAL     HB       H        33534       -1.24         3.76       1.98       0.31       
VAL     HG1      H        33189       -1.13         2.57       0.83       0.26       
VAL     HG2      H        32494       -2.32         3.32       0.80       0.28       
VAL     C        C        33504      165.65       183.95     175.71       1.85       
VAL     CA       C        45498       44.98        70.34      62.56       2.84       
VAL     CB       C        41927       18.97        45.33      32.70       1.78       
VAL     CG1      C        28653       12.07        32.27      21.52       1.36       
VAL     CG2      C        27625       11.38        33.12      21.29       1.53       
VAL     N        N        48733       97.22       143.29     121.10       4.44