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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 4 Common DNA Nucleotides


The statistics presented in this table were calculated from the full BMRB database. This includes single and double stranded DNA, DNA complexed with proteins, and DNA containing modified bases. These data may have been reported using a variety of chemical shift references. The calculated statistics are drived from a total of 51354 chemical shifts.

In the table, the highlighted residue codes provide a link to a gif image of the nucleotide with its atom nomenclature.
Jump to nucleotide: DA  DC  DG  DT  

Last updated: 04-27-2017
Nucleotide   Atom    Atom     Number     Minimum     Maximum    Average    Standard    
             Name    Type    of Shifts    Shift       Shift      Shift     Deviation   


DA          H2       H        910          2.60         8.64       7.48       0.82       
DA          H61      H        140          2.56        13.40       6.83       1.16       
DA          H62      H        139          5.53        12.90       6.97       1.10       
DA          H8       H        1063         2.35         9.10       8.00       0.84       
DA          H1'      H        1058         4.19         8.50       6.04       0.32       
DA          H2'      H        1049         1.45         4.82       2.67       0.36       
DA          H2''     H        1031         0.58         6.89       2.80       0.36       
DA          H3'      H        998          4.00         6.04       4.94       0.19       
DA          H4'      H        795          2.08         9.13       4.34       0.35       
DA          H5'      H        433          2.79         5.95       4.06       0.31       
DA          H5''     H        390          2.96         8.41       4.07       0.46       
DA          C2       C        123        151.00       159.33     154.78       1.22       
DA          C4       C        2          150.30       150.60     150.45       0.21       
DA          C5       C        2          119.80       119.90     119.85       0.07       
DA          C6       C        2          157.00       157.40     157.20       0.28       
DA          C8       C        134        138.00       142.79     141.40       0.87       
DA          C1'      C        132         81.50        91.90      85.26       1.19       
DA          C2'      C        117         36.23        42.93      40.71       0.89       
DA          C3'      C        93          72.71        83.26      78.62       1.62       
DA          C4'      C        62          84.94        91.33      87.45       0.94       
DA          C5'      C        39          47.77        70.96      67.50       3.51       
DA          N1       N        3          223.40       227.00     225.20       1.80       
DA          N3       N        3          214.50       216.40     215.73       1.07       
DA          N6       N        9           77.40        81.70      80.22       1.29       
DA          N7       N        2          233.50       234.10     233.80       0.42       
DA          N9       N        1          170.20       170.20     170.20       0.00       
DA          P        P        239        -45.29        35.48      -2.32       5.04       

DC          H41      H        573         -0.26        12.08       7.38       1.15       
DC          H42      H        556         -0.26        10.48       7.47       1.06       
DC          H5       H        1238        -6.22         8.25       5.39       0.90       
DC          H6       H        1251       -14.72         8.31       7.35       0.99       
DC          H1'      H        1243         2.17         6.60       5.72       0.70       
DC          H2'      H        1225       -29.45         6.93       2.12       1.43       
DC          H2''     H        1209       -20.82         8.48       2.39       1.09       
DC          H3'      H        1155        -7.37         8.62       4.72       0.66       
DC          H4'      H        918        -38.59        28.54       4.18       2.40       
DC          H5'      H        453        -18.35        11.19       4.17       1.82       
DC          H5''     H        376        -41.21        15.96       3.98       3.52       
DC          C2       C        2          158.80       159.20     159.00       0.28       
DC          C4       C        2          167.80       168.00     167.90       0.14       
DC          C5       C        124         84.55        99.90      98.13       2.26       
DC          C6       C        125        133.73       144.70     142.75       1.65       
DC          C1'      C        133         77.90        88.53      86.95       1.66       
DC          C2'      C        104         30.62        42.27      40.35       1.46       
DC          C3'      C        100         66.41        80.30      76.58       2.76       
DC          C4'      C        51          77.80        88.39      85.92       1.94       
DC          C5'      C        32          59.30        71.72      66.27       2.68       
DC          N1       N        1          150.70       150.70     150.70       0.00       
DC          N3       N        1          196.30       196.30     196.30       0.00       
DC          N4       N        16          95.10       100.41      98.29       1.33       
DC          P        P        332        -14.20        52.72      -1.65       6.05       

DG          H1       H        1220        -2.91        13.76      11.62       2.11       
DG          H21      H        294        -26.86        18.44       7.35       3.09       
DG          H22      H        285        -26.86        18.44       6.31       3.12       
DG          H8       H        1880         6.07         9.31       7.78       0.25       
DG          H1'      H        1884         2.53        12.45       5.89       0.46       
DG          H2'      H        1839         1.43         8.23       2.67       0.42       
DG          H2''     H        1811         1.16        11.50       2.72       0.42       
DG          H3'      H        1774         0.00        13.24       4.97       0.69       
DG          H4'      H        1488         0.00        13.26       4.46       1.00       
DG          H5'      H        835          0.00         7.82       4.12       0.37       
DG          H5''     H        712          0.00         7.76       4.10       0.36       
DG          C2       C        2          156.50       156.70     156.60       0.14       
DG          C4       C        2          153.10       154.00     153.55       0.64       
DG          C5       C        2          117.40       117.60     117.50       0.14       
DG          C6       C        2          161.00       161.40     161.20       0.28       
DG          C8       C        160        134.50       142.93     138.37       1.48       
DG          C1'      C        154         74.90        91.82      85.23       1.98       
DG          C2'      C        116         32.64        49.00      40.29       2.04       
DG          C3'      C        112         67.72        81.41      77.78       2.35       
DG          C4'      C        68          77.60        90.64      87.33       1.66       
DG          C5'      C        45          58.50        71.42      67.26       2.37       
DG          N1       N        21         146.70       147.70     147.19       0.27       
DG          N2       N        5           75.10        76.10      75.52       0.38       
DG          N7       N        4          236.90       238.30     237.28       0.68       
DG          N9       N        1          168.50       168.50     168.50       0.00       
DG          P        P        406        -20.92        47.10      -1.39       6.34       

DT          H3       H        566          2.12        14.53      12.84       1.98       
DT          H6       H        1379         1.61         8.10       7.36       0.32       
DT          H7       H        8            1.46         1.79       1.65       0.13       
DT          H71      H        1208         0.18         7.53       1.59       0.41       
DT          H72      H        1207         0.18         7.53       1.59       0.41       
DT          H73      H        1207         0.18         7.53       1.59       0.41       
DT          H1'      H        1374         1.65         6.72       5.87       0.54       
DT          H2'      H        1369         0.50         6.21       2.16       0.47       
DT          H2''     H        1350         0.78         4.87       2.40       0.36       
DT          H3'      H        1307         3.79        14.11       4.80       0.47       
DT          H4'      H        977          2.00        14.15       4.16       0.55       
DT          H5'      H        590          2.54        14.20       4.21       1.58       
DT          H5''     H        529          0.98         7.19       3.97       0.40       
DT          C2       C        2          152.90       153.40     153.15       0.35       
DT          C4       C        2          168.50       169.10     168.80       0.42       
DT          C5       C        9           14.30       113.60      36.43      43.64       
DT          C6       C        225        135.80       143.60     139.26       0.89       
DT          C7       C        56          13.52        14.90      14.31       0.35       
DT          C1'      C        212         80.60        92.22      86.91       1.35       
DT          C2'      C        192         34.38        42.96      40.02       0.85       
DT          C3'      C        175         71.58        80.10      77.51       1.62       
DT          C4'      C        62          78.80        89.31      86.10       1.43       
DT          C5'      C        38          59.40        68.40      66.44       1.96       
DT          N1       N        1          142.90       142.90     142.90       0.00       
DT          N3       N        41         156.40       160.50     159.27       0.71       
DT          P        P        261         -5.65        47.79      -1.36       7.03