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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 8221091 possible chemical shifts in the BMRB database, 6199457 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: 08-02-2018
Amino   Atom    Atom     Number     Minimum     Maximum    Average    Standard    
Acid    Name    Type    of Shifts    Shift       Shift      Shift     Deviation   

ALA     H        H        58340        3.53        12.11       8.19       0.58       
ALA     HA       H        40482        0.87         6.51       4.24       0.43       
ALA     HB       H        38220       -0.83         3.12       1.36       0.24       
ALA     C        C        38300      164.48       187.20     177.81       2.06       
ALA     CA       C        52157       39.92        67.02      53.18       1.93       
ALA     CB       C        48929        6.61        43.14      18.97       1.78       
ALA     N        N        55539       98.05       142.81     123.31       3.46       

ARG     H        H        38780        3.57        12.69       8.23       0.61       
ARG     HA       H        27466        1.29         6.62       4.29       0.45       
ARG     HB2      H        24736       -0.61         3.74       1.80       0.26       
ARG     HB3      H        23417       -0.74         3.74       1.76       0.27       
ARG     HG2      H        22066       -0.64         3.51       1.57       0.26       
ARG     HG3      H        20492       -0.74         3.51       1.55       0.28       
ARG     HD2      H        21648        1.04         4.69       3.12       0.23       
ARG     HD3      H        19753        0.85         4.69       3.10       0.25       
ARG     HE       H        6551         2.20        11.88       7.36       0.58       
ARG     HH11     H        579          5.88        10.07       6.90       0.46       
ARG     HH12     H        447          5.92        10.73       6.86       0.49       
ARG     HH21     H        499          4.85        11.35       6.82       0.49       
ARG     HH22     H        404          5.92        10.19       6.83       0.49       
ARG     C        C        24023      167.44       184.51     176.48       2.00       
ARG     CA       C        33596       35.70        67.98      56.81       2.29       
ARG     CB       C        31164       20.78        42.50      30.64       1.80       
ARG     CG       C        18473       18.22        49.39      27.22       1.21       
ARG     CD       C        18660       27.12        50.88      43.15       0.92       
ARG     CZ       C        488        113.28       179.92     160.01       3.78       
ARG     N        N        35850      102.43       137.60     120.82       3.63       
ARG     NE       N        3928        67.00        99.81      84.59       1.62       
ARG     NH1      N        118         67.60        87.82      74.36       5.17       
ARG     NH2      N        107         69.26        87.83      72.73       2.99       

ASP     H        H        45861        4.06        12.68       8.30       0.56       
ASP     HA       H        31834        2.33         6.67       4.58       0.31       
ASP     HB2      H        29480       -0.39         4.60       2.71       0.26       
ASP     HB3      H        28278       -0.23         4.58       2.66       0.27       
ASP     HD2      H        2            4.65         9.29       6.97       3.28       
ASP     C        C        29396      166.80       182.70     176.44       1.70       
ASP     CA       C        40678       41.11        67.17      54.70       2.02       
ASP     CB       C        38321       26.50        58.51      40.88       1.61       
ASP     CG       C        493        170.72       186.50     179.32       1.82       
ASP     N        N        43834      101.90       143.52     120.70       3.78       

ASN     H        H        32268        3.46        12.68       8.32       0.61       
ASN     HA       H        22904        2.04         6.60       4.66       0.35       
ASN     HB2      H        21311        0.22         4.47       2.80       0.31       
ASN     HB3      H        20503       -0.07         4.77       2.75       0.33       
ASN     HD21     H        15752        2.06        10.92       7.32       0.48       
ASN     HD22     H        15530        2.58        10.92       7.15       0.50       
ASN     C        C        20425      167.75       185.30     175.30       1.76       
ASN     CA       C        28577       41.20        66.21      53.55       1.86       
ASN     CB       C        26959       23.16        57.35      38.70       1.66       
ASN     CG       C        1755       166.40       183.80     176.78       1.38       
ASN     N        N        30120      101.71       137.49     118.91       3.92       
ASN     ND2      N        13496       99.40       134.50     112.76       2.27       

CYS     H        H        16240        4.38        12.66       8.38       0.68       
CYS     HA       H        13299        1.64         6.45       4.65       0.54       
CYS     HB2      H        12778       -0.54         4.72       2.95       0.44       
CYS     HB3      H        12458       -0.83         4.77       2.89       0.45       
CYS     HG       H        156         -1.83         7.39       1.92       1.20       
CYS     C        C        7955       166.73       187.59     174.90       2.04       
CYS     CA       C        11567       41.51        68.07      58.13       3.43       
CYS     CB       C        10956       17.99        63.89      33.14       6.39       
CYS     N        N        12614      100.48       138.68     120.12       4.47       

GLU     H        H        60018        4.29        12.69       8.33       0.58       
GLU     HA       H        41894        1.39         6.32       4.24       0.40       
GLU     HB2      H        37606        0.34         3.37       2.02       0.21       
GLU     HB3      H        35328        0.27         3.47       2.00       0.21       
GLU     HG2      H        34657        0.53         3.77       2.27       0.21       
GLU     HG3      H        32286        0.56         3.83       2.25       0.21       
GLU     HE2      H        3            2.73         2.93       2.82       0.10       
GLU     C        C        39309      166.80       183.52     176.94       1.90       
GLU     CA       C        53460       44.35        70.38      57.35       2.07       
GLU     CB       C        49682       18.36        49.56      29.97       1.70       
GLU     CG       C        30835       25.06        54.83      36.11       1.20       
GLU     CD       C        566        173.41       189.46     182.28       2.43       
GLU     N        N        57691      101.34       138.60     120.73       3.44       

GLN     H        H        33267        3.51        12.22       8.22       0.57       
GLN     HA       H        23309        1.57         6.44       4.26       0.42       
GLN     HB2      H        21019       -0.13         4.00       2.05       0.25       
GLN     HB3      H        20011       -0.57         4.04       2.01       0.27       
GLN     HG2      H        19549       -0.11         4.44       2.31       0.26       
GLN     HG3      H        18085       -0.41         4.44       2.29       0.28       
GLN     HE21     H        14522        3.39        11.11       7.22       0.44       
GLN     HE22     H        14446        3.59        10.35       7.04       0.43       
GLN     C        C        21655      168.09       185.31     176.36       1.91       
GLN     CA       C        29939       43.45        66.60      56.59       2.10       
GLN     CB       C        27884       18.43        43.65      29.17       1.80       
GLN     CG       C        17289       21.64        51.08      33.78       1.11       
GLN     CD       C        1687       171.37       183.54     179.73       1.22       
GLN     N        N        31723      103.88       139.55     119.95       3.53       
GLN     NE2      N        13010       92.49       133.30     111.86       1.68       

GLY     H        H        57798        3.34        12.22       8.33       0.63       
GLY     HA2      H        39461        0.84         6.98       3.96       0.37       
GLY     HA3      H        37537        0.74         6.98       3.90       0.37       
GLY     C        C        37157      163.27       184.89     173.91       1.84       
GLY     CA       C        51729       33.15        60.91      45.37       1.30       
GLY     N        N        54134       93.60       162.19     109.59       3.68       

HIS     H        H        16303        3.97        12.39       8.24       0.67       
HIS     HA       H        11826        1.93         8.90       4.60       0.43       
HIS     HB2      H        10921       -0.04         8.70       3.11       0.35       
HIS     HB3      H        10593       -0.39         8.70       3.05       0.37       
HIS     HD1      H        487          2.73        17.20       8.54       2.44       
HIS     HD2      H        7623         3.65         9.42       7.00       0.41       
HIS     HE1      H        5956         3.21        10.88       7.96       0.48       
HIS     HE2      H        196          6.57        16.53       9.53       2.36       
HIS     C        C        10389      166.90       183.12     175.26       1.95       
HIS     CA       C        14887       43.31        77.56      56.51       2.31       
HIS     CB       C        13905       18.75        54.90      30.25       2.10       
HIS     CG       C        120        117.54       139.56     131.96       3.25       
HIS     CD2      C        5037       110.52       159.95     120.38       3.36       
HIS     CE1      C        3879       104.67       145.42     137.64       2.25       
HIS     N        N        15263      103.99       136.48     119.69       4.02       
HIS     ND1      N        267        164.31       229.14     193.25      18.49       
HIS     NE2      N        276        161.10       226.76     185.23      16.92       

ILE     H        H        40449        3.42        11.87       8.27       0.68       
ILE     HA       H        28326        1.32         6.36       4.16       0.55       
ILE     HB       H        26519       -1.28         3.87       1.78       0.29       
ILE     HG12     H        23949       -2.12         2.85       1.28       0.40       
ILE     HG13     H        23017       -2.07         2.99       1.20       0.41       
ILE     HG2      H        25199       -1.47         2.20       0.78       0.27       
ILE     HD1      H        25983       -1.47         2.82       0.68       0.28       
ILE     C        C        26255      166.40       187.55     175.93       1.90       
ILE     CA       C        36124       43.84        71.86      61.67       2.68       
ILE     CB       C        33590       18.10        51.88      38.57       2.00       
ILE     CG1      C        21107        8.77        42.09      27.75       1.70       
ILE     CG2      C        22330        3.45        37.01      17.53       1.34       
ILE     CD1      C        23034        4.94        29.60      13.41       1.66       
ILE     N        N        38472       99.00       138.12     121.42       4.22       

LEU     H        H        67371        4.08        13.22       8.22       0.63       
LEU     HA       H        46911        1.72         6.42       4.30       0.46       
LEU     HB2      H        42852       -1.21         4.13       1.61       0.34       
LEU     HB3      H        41038       -1.41         3.23       1.52       0.36       
LEU     HG       H        37695       -1.06         3.90       1.51       0.33       
LEU     HD1      H        42689       -1.73         2.36       0.75       0.27       
LEU     HD2      H        40970       -1.74         2.15       0.73       0.28       
LEU     C        C        43632      166.22       189.78     177.07       1.93       
LEU     CA       C        59970       42.69        67.88      55.69       2.11       
LEU     CB       C        55848       26.88        53.70      42.26       1.85       
LEU     CG       C        32835       15.30        38.62      26.78       1.09       
LEU     CD1      C        36645       10.95        36.85      24.66       1.59       
LEU     CD2      C        34882        9.86        32.52      24.07       1.69       
LEU     N        N        63858       98.56       177.62     121.84       3.85       

LYS     H        H        56369        4.11        12.03       8.18       0.60       
LYS     HA       H        40329        0.68         6.25       4.26       0.43       
LYS     HB2      H        35834       -0.25         3.82       1.78       0.24       
LYS     HB3      H        33884       -0.45         3.82       1.75       0.26       
LYS     HG2      H        32369       -0.77         3.13       1.37       0.25       
LYS     HG3      H        29958       -0.87         3.05       1.35       0.27       
LYS     HD2      H        28735       -1.68         3.19       1.61       0.21       
LYS     HD3      H        25995       -0.53         3.19       1.60       0.21       
LYS     HE2      H        28440        0.67         4.43       2.91       0.20       
LYS     HE3      H        25137        1.17         4.55       2.91       0.20       
LYS     HZ       H        1012         1.95         9.90       7.38       0.66       
LYS     C        C        35434      166.63       185.00     176.72       1.91       
LYS     CA       C        49008       40.73        65.87      56.98       2.17       
LYS     CB       C        45502       21.19        46.60      32.76       1.77       
LYS     CG       C        27781       16.85        40.50      24.90       1.13       
LYS     CD       C        26214       15.37        42.70      28.96       1.11       
LYS     CE       C        25287       25.24        56.00      41.88       0.88       
LYS     N        N        52616      101.10       140.30     121.04       3.69       
LYS     NZ       N        70          29.48        35.90      33.08       1.14       

MET     H        H        16105        4.87        12.46       8.25       0.58       
MET     HA       H        11676        1.13         6.35       4.39       0.46       
MET     HB2      H        10384       -1.05         4.07       2.02       0.33       
MET     HB3      H        9749        -0.99         3.47       1.99       0.34       
MET     HG2      H        9488        -0.42         4.40       2.42       0.35       
MET     HG3      H        8977        -0.47         4.24       2.39       0.38       
MET     HE       H        7002        -0.71         8.38       1.89       0.40       
MET     C        C        10720      167.40       183.16     176.26       2.05       
MET     CA       C        15046       43.28        66.86      56.16       2.20       
MET     CB       C        13840       20.36        46.46      32.93       2.17       
MET     CG       C        8004        15.94        51.70      32.03       1.28       
MET     CE       C        6307        10.50        44.10      17.10       1.67       
MET     N        N        15448      102.80       138.55     120.10       3.48       

PHE     H        H        28706        3.55        12.18       8.34       0.71       
PHE     HA       H        19732        1.78         6.87       4.61       0.56       
PHE     HB2      H        18235        0.16         4.46       3.00       0.37       
PHE     HB3      H        17825       -0.19         4.69       2.94       0.39       
PHE     HD1      H        15098        4.47         8.15       7.06       0.31       
PHE     HD2      H        12935        4.47         8.15       7.06       0.31       
PHE     HE1      H        13083        4.38         8.80       7.08       0.31       
PHE     HE2      H        11355        4.38         8.80       7.08       0.31       
PHE     HZ       H        9237         4.32         9.50       6.99       0.41       
PHE     C        C        18256      166.85       184.93     175.50       1.97       
PHE     CA       C        25216       36.03        69.82      58.14       2.57       
PHE     CB       C        23526       25.52        56.74      39.93       2.06       
PHE     CG       C        235        127.24       152.84     138.46       2.80       
PHE     CD1      C        8985       116.95       143.16     131.58       1.22       
PHE     CD2      C        6623       115.55       138.70     131.57       1.22       
PHE     CE1      C        7806       114.75       139.56     130.73       1.32       
PHE     CE2      C        5744       114.70       139.70     130.76       1.21       
PHE     CZ       C        5957       115.10       139.13     129.21       1.48       
PHE     N        N        27090      101.47       139.02     120.37       4.12       

PRO     HA       H        22765        1.04         8.08       4.39       0.33       
PRO     HB2      H        21023       -0.75         4.59       2.08       0.34       
PRO     HB3      H        20410       -0.58         3.79       2.00       0.35       
PRO     HG2      H        18838       -0.77         4.42       1.93       0.31       
PRO     HG3      H        17485       -0.73         4.42       1.90       0.32       
PRO     HD2      H        19268        0.63         5.36       3.65       0.35       
PRO     HD3      H        18600        0.34         5.36       3.62       0.38       
PRO     C        C        19624      168.38       182.84     176.77       1.48       
PRO     CA       C        27958       48.56        72.28      63.35       1.51       
PRO     CB       C        26044       20.91        56.76      31.85       1.18       
PRO     CG       C        16915       18.28        50.75      27.20       1.10       
PRO     CD       C        16878       26.92        58.81      50.34       1.05       
PRO     N        N        1129       110.49       145.26     135.33       5.49       

SER     H        H        49445        3.76        12.52       8.28       0.58       
SER     HA       H        35203        1.28         6.85       4.47       0.40       
SER     HB2      H        32030        1.70         5.45       3.87       0.25       
SER     HB3      H        29635        1.12         5.45       3.84       0.27       
SER     HG       H        550          0.13         8.97       5.36       1.07       
SER     C        C        32150      164.47       197.10     174.65       1.72       
SER     CA       C        44920       45.13        73.19      58.73       2.07       
SER     CB       C        41443       31.40        76.39      63.80       1.51       
SER     N        N        46610       95.97       133.68     116.29       3.48       

THR     H        H        43550        5.32        11.80       8.24       0.62       
THR     HA       H        30548        1.65         7.47       4.45       0.47       
THR     HB       H        27677        0.92         8.35       4.16       0.32       
THR     HG1      H        928         -1.78         9.01       5.08       1.29       
THR     HG2      H        27381       -0.97         3.28       1.14       0.22       
THR     C        C        27707      165.50       184.43     174.58       1.71       
THR     CA       C        38490       48.01        72.80      62.25       2.57       
THR     CB       C        35530       29.97        81.53      69.71       1.73       
THR     CG2      C        22872       11.70        36.73      21.55       1.10       
THR     N        N        41236       95.77       138.27     115.35       4.71       

TRP     H        H        9125         5.16        11.76       8.27       0.77       
TRP     HA       H        6274         2.04         6.58       4.66       0.52       
TRP     HB2      H        5878         0.68         4.54       3.19       0.34       
TRP     HB3      H        5704         0.26         4.44       3.12       0.36       
TRP     HD1      H        5209         4.60         8.93       7.14       0.34       
TRP     HE1      H        5786         4.69        14.39      10.07       0.65       
TRP     HE3      H        4503         4.89         9.95       7.32       0.41       
TRP     HZ2      H        4857         4.66         8.56       7.28       0.32       
TRP     HZ3      H        4352         3.88         8.90       6.87       0.37       
TRP     HH2      H        4473         4.37        10.17       6.98       0.37       
TRP     C        C        5498       168.17       182.60     176.21       1.97       
TRP     CA       C        7674        43.50        81.00      57.72       2.53       
TRP     CB       C        7144        18.63        52.30      29.97       1.99       
TRP     CG       C        143        107.50       116.53     111.06       1.79       
TRP     CD1      C        3243       108.45       135.60     126.56       1.86       
TRP     CD2      C        114        120.00       132.62     127.77       1.88       
TRP     CE2      C        116        113.89       177.71     138.09       6.98       
TRP     CE3      C        2702        93.34       137.60     120.47       1.83       
TRP     CZ2      C        3090        81.81       134.70     114.26       1.44       
TRP     CZ3      C        2738        98.61       138.39     121.36       1.60       
TRP     CH2      C        2888        91.62       131.54     123.80       1.57       
TRP     N        N        8262       101.97       138.11     121.57       4.07       
TRP     NE1      N        4654       106.00       144.36     129.28       2.07       

TYR     H        H        24218        4.16        12.34       8.30       0.72       
TYR     HA       H        16887        1.19         6.83       4.60       0.56       
TYR     HB2      H        15576       -0.49         4.70       2.90       0.37       
TYR     HB3      H        15223       -0.19         4.70       2.84       0.39       
TYR     HD1      H        13415        4.68         8.54       6.93       0.29       
TYR     HD2      H        11687        4.43         8.54       6.93       0.29       
TYR     HE1      H        12732        4.58         7.85       6.70       0.22       
TYR     HE2      H        11178        4.56         8.50       6.70       0.23       
TYR     HH       H        236         -0.79        13.75       9.13       1.60       
TYR     C        C        14901      167.86       184.78     175.51       1.95       
TYR     CA       C        20818       44.64        69.56      58.19       2.48       
TYR     CB       C        19245       25.32        57.73      39.27       2.14       
TYR     CG       C        212        117.70       144.30     129.61       2.45       
TYR     CD1      C        8031       115.30       141.57     132.73       1.35       
TYR     CD2      C        5719       113.00       139.47     132.69       1.52       
TYR     CE1      C        7967       110.70       137.42     117.94       1.27       
TYR     CE2      C        5646       106.55       135.82     117.91       1.27       
TYR     CZ       C        155        153.54       160.45     156.82       1.47       
TYR     N        N        22355      100.09       144.96     120.48       4.09       

VAL     H        H        53054        3.98        12.59       8.28       0.66       
VAL     HA       H        37240        0.97         6.30       4.16       0.57       
VAL     HB       H        34453       -1.24         3.76       1.98       0.31       
VAL     HG1      H        34114       -1.13         2.57       0.83       0.26       
VAL     HG2      H        33403       -2.32         3.32       0.80       0.28       
VAL     C        C        34695      165.65       183.95     175.72       1.85       
VAL     CA       C        47319       44.98        70.34      62.56       2.84       
VAL     CB       C        43606       18.97        45.33      32.70       1.77       
VAL     CG1      C        29504       12.07        32.27      21.52       1.36       
VAL     CG2      C        28442       11.38        33.12      21.29       1.53       
VAL     N        N        50757       97.22       143.29     121.09       4.44