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

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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 6051591 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: 09-12-2013
Amino   Atom    Atom     Number     Minimum     Maximum    Average    Standard    
Acid    Name    Type    of Shifts    Shift       Shift      Shift     Deviation   

ALA     H        H        53400        0.00        69.23       8.19       0.67       
ALA     HA       H        41079       -2.52        17.87       4.25       0.45       
ALA     HB       H        39240      -14.04         5.48       1.35       0.29       
ALA     C        C        33799        0.04       187.20     177.73       3.13       
ALA     CA       C        46241       17.01       123.90      53.18       2.10       
ALA     CB       C        43998      -40.99        99.00      19.07       2.45       
ALA     N        N        49729        0.05       766.00     123.28       6.68       

ARG     H        H        35977        0.01        12.73       8.24       0.63       
ARG     HA       H        28431        1.21        12.57       4.30       0.48       
ARG     HB2      H        25955       -4.78        27.53       1.79       0.33       
ARG     HB3      H        24463       -1.13        27.53       1.76       0.34       
ARG     HG2      H        23386       -1.45         4.20       1.56       0.29       
ARG     HG3      H        21467       -1.30         5.47       1.54       0.30       
ARG     HD2      H        22962       -6.44         4.69       3.11       0.28       
ARG     HD3      H        20771       -0.69         4.79       3.09       0.30       
ARG     HE       H        7936         2.28       116.66       7.49       3.30       
ARG     HH11     H        732          4.41        10.30       6.90       0.54       
ARG     HH12     H        544          4.41        10.73       6.83       0.50       
ARG     HH21     H        640          1.23        11.35       6.79       0.67       
ARG     HH22     H        513          1.23        10.18       6.78       0.62       
ARG     C        C        21951        0.17       184.96     176.39       3.13       
ARG     CA       C        30592        8.37       103.60      56.77       2.42       
ARG     CB       C        28568       17.74       123.50      30.73       2.20       
ARG     CG       C        18937       12.17       119.40      27.23       1.72       
ARG     CD       C        19169       18.94       135.80      43.18       1.58       
ARG     CZ       C        486        128.85       181.47     160.49       4.25       
ARG     N        N        32609        0.13       177.67     120.75       4.06       
ARG     NE       N        4978         7.28       149.11      90.98      13.82       
ARG     NH1      N        168         67.60       124.40      79.24      13.92       
ARG     NH2      N        145         66.20       128.47      79.20      15.81       

ASP     H        H        42677       -0.35        17.50       8.30       0.61       
ASP     HA       H        32960       -3.75         8.60       4.59       0.33       
ASP     HB2      H        30998       -5.20        37.40       2.72       0.58       
ASP     HB3      H        29691       -1.46        37.20       2.67       0.59       
ASP     HD2      H        7            1.41        12.30       6.29       3.52       
ASP     C        C        27115        0.11       219.00     176.40       2.58       
ASP     CA       C        37152       36.57       118.90      54.69       2.13       
ASP     CB       C        35312        9.70       180.89      40.90       2.06       
ASP     CG       C        710          6.71       186.50     178.23      12.86       
ASP     N        N        40092        0.06       223.70     120.65       4.45       

ASN     H        H        29786        0.01       448.00       8.35       2.63       
ASN     HA       H        23616        1.75         7.11       4.66       0.37       
ASN     HB2      H        22283       -0.77         8.88       2.80       0.34       
ASN     HB3      H        21436       -0.95         5.14       2.74       0.36       
ASN     HD21     H        17070        1.09        10.38       7.34       0.51       
ASN     HD22     H        16855        1.47        11.43       7.14       0.53       
ASN     C        C        18390        0.11       185.30     175.23       2.96       
ASN     CA       C        25646        2.20        99.00      53.55       2.00       
ASN     CB       C        24423        1.96        99.00      38.70       2.04       
ASN     CG       C        1921         0.00       183.10     176.45       6.69       
ASN     N        N        27231        0.04       137.49     118.90       4.35       
ASN     ND2      N        14580       21.04       145.93     112.76       2.82       

CYS     H        H        15545        3.72        12.40       8.38       0.70       
CYS     HA       H        13585       -9.86        43.50       4.68       1.11       
CYS     HB2      H        13140      -39.82       363.58       3.21       7.57       
CYS     HB3      H        12792      -44.20       363.58       3.13       6.87       
CYS     HG       H        151          0.10        10.70       2.07       1.52       
CYS     C        C        7384         1.00       186.04     174.86       3.65       
CYS     CA       C        10539       41.91        82.30      58.21       3.37       
CYS     CB       C        9962        17.99        73.92      32.85       6.22       
CYS     N        N        11726     -147.00       628.00     120.65      22.86       

GLU     H        H        54931        0.01        64.68       8.33       0.70       
GLU     HA       H        42904        0.43        31.32       4.25       0.44       
GLU     HB2      H        39488       -1.47         4.82       2.02       0.22       
GLU     HB3      H        36944       -1.63         4.08       1.99       0.23       
GLU     HG2      H        36794       -0.67         4.69       2.27       0.22       
GLU     HG3      H        33963       -0.10         4.69       2.24       0.23       
GLU     HE2      H        5            2.73        11.96       7.17       3.30       
GLU     C        C        35700        0.07       190.58     176.84       3.33       
GLU     CA       C        48453        3.77        87.15      57.34       2.18       
GLU     CB       C        45654        9.08       181.95      30.04       2.18       
GLU     CG       C        31877        6.16       119.03      36.12       1.63       
GLU     CD       C        728         36.12       189.46     181.81       7.74       
GLU     N        N        52001        0.04       429.00     120.64       4.48       

GLN     H        H        29553        0.01        66.54       8.22       0.70       
GLN     HA       H        23273        1.57         7.43       4.27       0.44       
GLN     HB2      H        21411       -1.34         5.18       2.04       0.27       
GLN     HB3      H        20243       -1.42        20.90       2.01       0.32       
GLN     HG2      H        20206       -1.76        33.60       2.31       0.35       
GLN     HG3      H        18503       -1.40        34.95       2.29       0.39       
GLN     HE21     H        15393       -3.41        23.89       7.22       0.51       
GLN     HE22     H        15308        2.10       113.70       7.04       0.99       
GLN     C        C        18804        0.07       184.44     176.31       2.94       
GLN     CA       C        26076        4.10        69.63      56.60       2.19       
GLN     CB       C        24615       17.41        79.68      29.21       2.09       
GLN     CG       C        17245        2.43       178.32      33.78       1.87       
GLN     CD       C        1818        21.34       183.54     179.40       6.67       
GLN     N        N        27682        0.08       216.50     119.84       4.01       
GLN     NE2      N        13687       33.90       155.00     111.86       2.16       

GLY     H        H        52995      -15.30       112.83       8.33       0.85       
GLY     HA2      H        41141       -3.40         8.64       3.97       0.40       
GLY     HA3      H        39051       -3.40         7.69       3.89       0.42       
GLY     C        C        33283        1.00       187.39     173.85       3.10       
GLY     CA       C        46084        2.20       108.30      45.39       1.65       
GLY     N        N        48633        0.20       791.00     109.79       8.18       

HIS     H        H        15813       -0.30        13.34       8.26       0.75       
HIS     HA       H        12734        0.68        30.68       4.62       0.63       
HIS     HB2      H        11931       -0.05        45.90       3.18       1.24       
HIS     HB3      H        11572       -6.20        38.50       3.12       1.19       
HIS     HD1      H        786        -15.00        86.50      10.51       9.65       
HIS     HD2      H        8677       -25.85        67.80       7.23       3.77       
HIS     HE1      H        6920       -26.60        43.80       7.79       2.47       
HIS     HE2      H        289        -15.00        76.40      11.53       9.00       
HIS     C        C        9746         1.00       184.20     175.16       4.26       
HIS     CA       C        13875       11.40       176.90      56.55       2.83       
HIS     CB       C        13108       17.80        80.78      30.29       2.41       
HIS     CG       C        146         71.30       139.83     131.42       6.16       
HIS     CD2      C        5355         7.19       159.95     119.93       5.77       
HIS     CE1      C        4199         8.27       166.28     137.29       5.36       
HIS     N        N        14406        0.20       159.14     119.68       4.51       
HIS     ND1      N        583         64.90       261.01     193.40      34.28       
HIS     NE2      N        537         17.00       257.57     180.36      21.66       

ILE     H        H        37231        0.01        11.69       8.27       0.70       
ILE     HA       H        29025       -9.00         6.37       4.17       0.58       
ILE     HB       H        27452       -2.44        38.70       1.78       0.44       
ILE     HG12     H        25020      -10.10         7.74       1.26       0.48       
ILE     HG13     H        24024      -10.10         9.71       1.19       0.51       
ILE     HG2      H        26180       -3.62         6.23       0.77       0.32       
ILE     HD1      H        26337       -4.15         8.80       0.67       0.34       
ILE     C        C        24119        0.09       184.75     175.83       3.35       
ILE     CA       C        32858       30.90        77.93      61.63       2.75       
ILE     CB       C        30875       18.10        87.68      38.62       2.22       
ILE     CG1      C        21244        8.00        74.78      27.71       2.06       
ILE     CG2      C        22624        0.79       114.15      17.57       2.01       
ILE     CD1      C        22775        1.02        79.34      13.50       2.47       
ILE     N        N        34923        0.05       531.00     121.44       6.07       

LEU     H        H        61754       -0.30        13.22       8.22       0.66       
LEU     HA       H        47764        0.51       119.41       4.31       0.71       
LEU     HB2      H        44157       -1.52         8.02       1.61       0.37       
LEU     HB3      H        42160       -1.79         8.39       1.52       0.38       
LEU     HG       H        39565       -2.08         5.70       1.51       0.35       
LEU     HD1      H        43518       -3.42        30.18       0.75       0.35       
LEU     HD2      H        41884       -3.42        24.50       0.73       0.38       
LEU     C        C        39595        0.07       228.49     176.99       2.93       
LEU     CA       C        54206       14.37       158.32      55.66       2.24       
LEU     CB       C        51096       16.38        93.18      42.30       2.05       
LEU     CG       C        33354       15.30        75.28      26.81       1.56       
LEU     CD1      C        36506        0.73       120.70      24.73       2.03       
LEU     CD2      C        34802        0.62       116.30      24.10       2.10       
LEU     N        N        57751        0.04       627.00     122.01       9.32       

LYS     H        H        52391        0.00        64.42       8.18       0.67       
LYS     HA       H        41213        0.27         8.60       4.26       0.45       
LYS     HB2      H        37553       -1.42        35.97       1.77       0.32       
LYS     HB3      H        35060       -1.40        35.97       1.74       0.34       
LYS     HG2      H        33969       -1.45        29.88       1.36       0.32       
LYS     HG3      H        30928       -1.83        29.88       1.35       0.33       
LYS     HD2      H        30297       -1.68       119.62       1.61       0.78       
LYS     HD3      H        26692       -2.02        41.68       1.60       0.38       
LYS     HE2      H        29861       -0.49         8.37       2.91       0.22       
LYS     HE3      H        25752       -0.05         6.83       2.90       0.22       
LYS     HZ       H        1189       -10.90        10.51       7.30       1.19       
LYS     C        C        32114        0.11       996.25     176.64       5.74       
LYS     CA       C        44308       22.02        86.72      56.95       2.25       
LYS     CB       C        41774      -26.69       229.20      32.81       2.26       
LYS     CG       C        28106        2.90        77.38      24.92       1.60       
LYS     CD       C        26614       15.37        77.48      28.97       1.54       
LYS     CE       C        25759       12.03        89.98      41.90       1.49       
LYS     N        N        47799        0.04       217.00     121.00       4.31       
LYS     NZ       N        157          1.95       177.20      48.41      34.05       

MET     H        H        14632       -0.21        19.97       8.26       0.63       
MET     HA       H        11864       -0.93       313.57       4.43       2.88       
MET     HB2      H        10746       -9.84        33.75       2.03       0.59       
MET     HB3      H        10085       -2.70        12.94       1.99       0.50       
MET     HG2      H        9916       -33.86        32.70       2.35       1.84       
MET     HG3      H        9312       -33.86        31.70       2.32       1.98       
MET     HE       H        7176       -24.86        10.20       1.69       2.03       
MET     C        C        9620         2.20       183.25     176.18       2.79       
MET     CA       C        13521       36.03        85.33      56.15       2.31       
MET     CB       C        12557        0.20        83.38      33.00       2.48       
MET     CG       C        8238         2.30        81.18      32.04       1.72       
MET     CE       C        6249         8.90        71.16      17.19       2.48       
MET     N        N        13834        0.20       221.00     120.01       4.78       

PHE     H        H        26796       -0.50        12.18       8.35       0.74       
PHE     HA       H        20750        1.45        59.70       4.62       0.70       
PHE     HB2      H        19477        0.16         7.98       2.99       0.39       
PHE     HB3      H        18971       -0.21        12.72       2.93       0.41       
PHE     HD1      H        16613        2.02         9.76       7.03       0.42       
PHE     HD2      H        13820        2.02         9.76       7.03       0.43       
PHE     HE1      H        14657       -2.84        14.08       7.05       0.49       
PHE     HE2      H        12367        0.14        12.90       7.05       0.49       
PHE     HZ       H        10578       -7.14        43.62       6.99       0.79       
PHE     C        C        16999        0.09       187.61     175.45       2.85       
PHE     CA       C        23147        4.92        73.43      58.12       2.65       
PHE     CB       C        21906       21.40       137.00      39.99       2.37       
PHE     CG       C        250          7.23       152.84     136.94      13.01       
PHE     CD1      C        9515        19.15       143.45     131.35       4.07       
PHE     CD2      C        6781        19.15       138.70     131.39       3.89       
PHE     CE1      C        8369        51.32       139.56     130.49       3.80       
PHE     CE2      C        5957        51.32       139.70     130.58       3.33       
PHE     CZ       C        6424         7.35       138.60     129.03       3.91       
PHE     N        N        24898        0.07       229.00     120.41       4.59       

PRO     HA       H        23511        0.74       135.80       4.39       0.93       
PRO     HB2      H        22107       -1.50         5.63       2.07       0.37       
PRO     HB3      H        21321       -3.48         6.10       1.99       0.39       
PRO     HG2      H        20130       -2.35         4.92       1.92       0.35       
PRO     HG3      H        18561       -1.52         4.92       1.89       0.36       
PRO     HD2      H        20730       -6.56         7.67       3.63       0.47       
PRO     HD3      H        19935       -6.56         6.30       3.59       0.50       
PRO     C        C        17708        0.05       183.52     176.66       3.74       
PRO     CA       C        25563        4.19       176.83      63.32       2.26       
PRO     CB       C        24158        6.11        81.08      31.88       1.78       
PRO     CG       C        17343       18.28        76.28      27.24       1.79       
PRO     CD       C        17487        4.99        98.58      50.31       1.93       
PRO     N        N        799         31.27       430.00     138.47      36.65       

SER     H        H        45087      -15.30        13.13       8.28       0.62       
SER     HA       H        36104        1.43        58.74       4.48       0.51       
SER     HB2      H        33411        0.61         8.20       3.87       0.28       
SER     HB3      H        30730        0.61         5.93       3.84       0.29       
SER     HG       H        605          0.00        11.36       5.52       1.25       
SER     C        C        29107        0.25       197.10     174.62       2.37       
SER     CA       C        40298       24.40       175.20      58.73       2.21       
SER     CB       C        37647     -939.28       171.73      63.72       5.62       
SER     N        N        41667        0.03       196.20     116.29       3.89       

THR     H        H        40002        0.02       115.48       8.24       0.84       
THR     HA       H        31270       -1.50         7.23       4.46       0.49       
THR     HB       H        29075        0.09        73.47       4.17       0.85       
THR     HG1      H        1098         0.32        11.01       5.34       1.32       
THR     HG2      H        28789      -12.10        22.21       1.14       0.34       
THR     C        C        24909       60.89       185.92     174.52       2.32       
THR     CA       C        34581       41.04        92.66      62.26       2.65       
THR     CB       C        32370     -939.28       629.21      69.61       6.91       
THR     CG2      C        23256       11.70       175.60      21.59       2.01       
THR     N        N        37132        0.20       402.00     115.51       6.95       

TRP     H        H        9161         5.13        17.32       8.28       0.79       
TRP     HA       H        7110         2.24        11.41       4.69       0.54       
TRP     HB2      H        6740         0.42         5.35       3.18       0.35       
TRP     HB3      H        6536         0.31         4.49       3.11       0.37       
TRP     HD1      H        6048         4.69        10.75       7.13       0.37       
TRP     HE1      H        6531        -1.28        18.00      10.08       0.73       
TRP     HE3      H        5340         1.85        10.82       7.28       0.55       
TRP     HZ2      H        5735         2.63        10.81       7.26       0.44       
TRP     HZ3      H        5169         0.76         8.90       6.83       0.51       
TRP     HH2      H        5303         2.84        10.90       6.94       0.49       
TRP     C        C        5476        57.52       184.30     176.15       2.58       
TRP     CA       C        7468        33.74        87.02      57.68       2.65       
TRP     CB       C        7059         1.60       112.01      30.12       2.80       
TRP     CG       C        193         27.38       116.53     110.29       6.89       
TRP     CD1      C        3711        30.24       158.33     126.30       4.07       
TRP     CD2      C        130        120.20       139.10     128.17       1.92       
TRP     CE2      C        165        113.89       177.71     138.38       7.04       
TRP     CE3      C        3157        40.14       155.09     120.22       3.82       
TRP     CZ2      C        3565         7.38       144.03     114.05       4.10       
TRP     CZ3      C        3190        50.12       161.54     121.20       3.44       
TRP     CH2      C        3335        47.65       160.82     123.63       3.67       
TRP     N        N        8187        25.80       207.70     121.64       4.52       
TRP     NE1      N        5245         0.53       249.50     129.26       3.55       

TYR     H        H        23026        0.02        12.01       8.31       0.74       
TYR     HA       H        18014        0.44         7.16       4.62       0.57       
TYR     HB2      H        16935      -21.23        23.28       2.89       0.50       
TYR     HB3      H        16545      -21.23        23.28       2.83       0.51       
TYR     HD1      H        14852        0.19         9.39       6.91       0.39       
TYR     HD2      H        12438        0.92        10.50       6.91       0.40       
TYR     HE1      H        14127        0.08        11.80       6.69       0.33       
TYR     HE2      H        11932        0.43        11.70       6.69       0.34       
TYR     HH       H        323          3.07        31.00       9.18       2.18       
TYR     C        C        13855        2.20       184.78     175.37       3.35       
TYR     CA       C        19313        2.20        69.56      58.13       2.63       
TYR     CB       C        18115       18.38       175.51      39.33       2.78       
TYR     CG       C        243          7.11       174.59     128.54      10.49       
TYR     CD1      C        8657        19.59       141.57     132.43       4.82       
TYR     CD2      C        5845        19.59       138.29     132.43       4.74       
TYR     CE1      C        8590        40.44       159.57     117.72       3.89       
TYR     CE2      C        5782        42.40       154.10     117.79       2.99       
TYR     CZ       C        187          6.84       162.70     154.70      17.19       
TYR     N        N        20873        0.20       818.00     120.94      14.83       

VAL     H        H        48916       -0.41        15.05       8.28       0.70       
VAL     HA       H        38279       -2.83        54.97       4.18       0.66       
VAL     HB       H        36329      -27.48        31.75       1.98       0.49       
VAL     HG1      H        35557      -27.20        24.20       0.82       0.36       
VAL     HG2      H        34805      -27.20        56.56       0.80       0.48       
VAL     C        C        31520        1.00       185.04     175.64       2.40       
VAL     CA       C        43085       29.56        91.71      62.53       2.92       
VAL     CB       C        40563       17.21        83.58      32.75       2.00       
VAL     CG1      C        29892       -7.40       117.16      21.54       1.91       
VAL     CG2      C        28837       -5.65       121.47      21.33       2.06       
VAL     N        N        46096        0.20       529.00     121.23       8.50       
		   
 
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