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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 56985 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: 07-12-2018
Nucleotide   Atom    Atom     Number     Minimum     Maximum    Average    Standard    
             Name    Type    of Shifts    Shift       Shift      Shift     Deviation   


DA          H2       H        1027         2.60         8.64       7.52       0.78       
DA          H61      H        158          2.56        13.40       6.91       1.17       
DA          H62      H        152          5.31        12.90       6.94       1.13       
DA          H8       H        1175         2.35         9.10       8.02       0.81       
DA          H1'      H        1170         4.19         8.50       6.04       0.33       
DA          H2'      H        1152         0.84         4.82       2.66       0.37       
DA          H2''     H        1134         0.56         6.89       2.79       0.37       
DA          H3'      H        1107         4.00         6.04       4.94       0.19       
DA          H4'      H        888          2.08         9.13       4.33       0.38       
DA          H5'      H        490          2.79         5.95       4.05       0.30       
DA          H5''     H        445          2.96         8.41       4.06       0.45       
DA          C2       C        151        151.00       159.33     154.49       1.37       
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        163        138.00       142.79     141.23       1.02       
DA          C1'      C        149         80.48        91.90      84.96       1.52       
DA          C2'      C        123         36.23        42.93      40.58       1.05       
DA          C3'      C        110         72.71        83.26      78.28       1.79       
DA          C4'      C        80          82.41        91.33      86.79       1.64       
DA          C5'      C        46          47.77        70.96      67.20       3.38       
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        248        -45.29        35.48      -2.29       4.95       

DC          H41      H        601         -0.26        12.08       7.42       1.15       
DC          H42      H        584         -0.26        10.62       7.47       1.06       
DC          H5       H        1304        -6.22         8.25       5.41       0.88       
DC          H6       H        1318       -14.72         8.31       7.36       0.96       
DC          H1'      H        1310         2.17         6.60       5.73       0.69       
DC          H2'      H        1286       -29.45         6.93       2.11       1.40       
DC          H2''     H        1269       -20.82         8.48       2.39       1.07       
DC          H3'      H        1216        -7.37         8.62       4.73       0.64       
DC          H4'      H        960        -38.59        28.54       4.17       2.36       
DC          H5'      H        479        -18.35        11.19       4.16       1.77       
DC          H5''     H        400        -41.21        15.96       3.98       3.42       
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        133         84.55        99.90      98.02       2.23       
DC          C6       C        140        133.73       144.70     142.68       1.65       
DC          C1'      C        142         77.90        88.53      86.76       1.84       
DC          C2'      C        105         30.62        42.27      40.34       1.45       
DC          C3'      C        107         66.41        80.30      76.44       2.75       
DC          C4'      C        59          77.80        88.39      85.48       2.21       
DC          C5'      C        35          59.30        71.72      66.32       2.56       
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        338        -14.20        52.72      -1.64       5.99       

DG          H1       H        1420        -2.91        13.94      11.62       1.97       
DG          H21      H        341        -26.86        18.44       7.48       2.93       
DG          H22      H        320        -26.86        18.44       6.37       2.97       
DG          H8       H        2121         6.07         9.31       7.78       0.26       
DG          H1'      H        2127         2.53        12.45       5.90       0.44       
DG          H2'      H        2071         1.43         8.23       2.68       0.41       
DG          H2''     H        2038         1.16        11.50       2.72       0.41       
DG          H3'      H        2009         0.00        13.24       4.97       0.65       
DG          H4'      H        1659         0.00        13.26       4.45       0.95       
DG          H5'      H        965          0.00         7.82       4.13       0.35       
DG          H5''     H        834          0.00         7.76       4.11       0.35       
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        214        134.38       142.93     138.17       1.70       
DG          C1'      C        179         74.90        91.82      84.92       2.07       
DG          C2'      C        128         32.64        49.00      40.23       2.00       
DG          C3'      C        136         67.72        81.41      77.52       2.44       
DG          C4'      C        88          75.27        90.64      86.78       2.13       
DG          C5'      C        60          58.50        71.42      67.03       2.23       
DG          N1       N        33         142.74       147.70     145.74       1.96       
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        415        -20.92        47.10      -1.38       6.27       

DT          H3       H        592          2.12        14.53      12.84       1.95       
DT          H6       H        1497         1.61         8.10       7.35       0.32       
DT          H7       H        8            1.46         1.79       1.65       0.13       
DT          H71      H        1327         0.18         7.53       1.60       0.40       
DT          H72      H        1326         0.18         7.53       1.60       0.40       
DT          H73      H        1326         0.18         7.53       1.60       0.40       
DT          H1'      H        1491         1.65         6.72       5.87       0.53       
DT          H2'      H        1472         0.50         6.21       2.15       0.47       
DT          H2''     H        1451         0.78         4.87       2.39       0.36       
DT          H3'      H        1416         3.79        14.11       4.79       0.46       
DT          H4'      H        1070         2.00        14.15       4.14       0.55       
DT          H5'      H        642          2.54        14.20       4.18       1.52       
DT          H5''     H        575          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        239        135.80       143.60     139.12       1.06       
DT          C7       C        68          11.27        14.90      13.83       1.10       
DT          C1'      C        225         80.60        92.22      86.69       1.63       
DT          C2'      C        195         34.38        42.96      39.99       0.88       
DT          C3'      C        186         71.58        80.10      77.34       1.77       
DT          C4'      C        74          78.80        89.31      85.62       1.86       
DT          C5'      C        41          59.40        68.40      66.36       1.91       
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        270         -5.65        47.79      -1.37       6.92