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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 52775 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: 08-11-2017
Nucleotide   Atom    Atom     Number     Minimum     Maximum    Average    Standard    
             Name    Type    of Shifts    Shift       Shift      Shift     Deviation   


DA          H2       H        937          2.60         8.64       7.49       0.81       
DA          H61      H        145          2.56        13.40       6.83       1.16       
DA          H62      H        144          5.31        12.90       6.92       1.11       
DA          H8       H        1088         2.35         9.10       8.00       0.84       
DA          H1'      H        1083         4.19         8.50       6.04       0.33       
DA          H2'      H        1074         0.84         4.82       2.66       0.37       
DA          H2''     H        1056         0.56         6.89       2.79       0.37       
DA          H3'      H        1022         4.00         6.04       4.94       0.19       
DA          H4'      H        811          2.08         9.13       4.34       0.34       
DA          H5'      H        447          2.79         5.95       4.06       0.30       
DA          H5''     H        404          2.96         8.41       4.07       0.45       
DA          C2       C        129        151.00       159.33     154.68       1.28       
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        140        138.00       142.79     141.32       0.95       
DA          C1'      C        138         81.50        91.90      85.19       1.26       
DA          C2'      C        123         36.23        42.93      40.58       1.05       
DA          C3'      C        99          72.71        83.26      78.46       1.70       
DA          C4'      C        68          84.43        91.33      87.21       1.19       
DA          C5'      C        45          47.77        70.96      67.18       3.42       
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        586         -0.26        12.08       7.39       1.15       
DC          H42      H        569         -0.26        10.48       7.47       1.06       
DC          H5       H        1253        -6.22         8.25       5.40       0.90       
DC          H6       H        1267       -14.72         8.31       7.35       0.98       
DC          H1'      H        1259         2.17         6.60       5.72       0.70       
DC          H2'      H        1241       -29.45         6.93       2.11       1.42       
DC          H2''     H        1225       -20.82         8.48       2.39       1.09       
DC          H3'      H        1170        -7.37         8.62       4.72       0.66       
DC          H4'      H        919        -38.59        28.54       4.18       2.40       
DC          H5'      H        456        -18.35        11.19       4.17       1.81       
DC          H5''     H        379        -41.21        15.96       3.99       3.51       
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        125         84.55        99.90      98.12       2.25       
DC          C6       C        126        133.73       144.70     142.74       1.65       
DC          C1'      C        134         77.90        88.53      86.94       1.65       
DC          C2'      C        105         30.62        42.27      40.34       1.45       
DC          C3'      C        101         66.41        80.30      76.57       2.75       
DC          C4'      C        52          77.80        88.39      85.90       1.93       
DC          C5'      C        33          59.30        71.72      66.28       2.63       
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        1283        -2.91        13.76      11.61       2.07       
DG          H21      H        318        -26.86        18.44       7.47       3.02       
DG          H22      H        305        -26.86        18.44       6.33       3.03       
DG          H8       H        1955         6.07         9.31       7.78       0.25       
DG          H1'      H        1959         2.53        12.45       5.89       0.45       
DG          H2'      H        1914         1.43         8.23       2.67       0.41       
DG          H2''     H        1884         1.16        11.50       2.72       0.42       
DG          H3'      H        1847         0.00        13.24       4.97       0.68       
DG          H4'      H        1535         0.00        13.26       4.46       0.98       
DG          H5'      H        883          0.00         7.82       4.12       0.36       
DG          H5''     H        760          0.00         7.76       4.10       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        172        134.38       142.93     138.17       1.61       
DG          C1'      C        166         74.90        91.82      85.07       2.02       
DG          C2'      C        128         32.64        49.00      40.23       2.00       
DG          C3'      C        124         67.72        81.41      77.69       2.27       
DG          C4'      C        77          75.27        90.64      86.92       2.19       
DG          C5'      C        57          58.50        71.42      67.06       2.21       
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        406        -20.92        47.10      -1.39       6.34       

DT          H3       H        570          2.12        14.53      12.85       1.98       
DT          H6       H        1408         1.61         8.10       7.36       0.32       
DT          H7       H        8            1.46         1.79       1.65       0.13       
DT          H71      H        1237         0.18         7.53       1.60       0.41       
DT          H72      H        1236         0.18         7.53       1.60       0.41       
DT          H73      H        1236         0.18         7.53       1.60       0.41       
DT          H1'      H        1401         1.65         6.72       5.88       0.54       
DT          H2'      H        1396         0.50         6.21       2.16       0.47       
DT          H2''     H        1377         0.78         4.87       2.39       0.36       
DT          H3'      H        1332         3.79        14.11       4.80       0.47       
DT          H4'      H        996          2.00        14.15       4.16       0.55       
DT          H5'      H        608          2.54        14.20       4.20       1.56       
DT          H5''     H        547          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        228        135.80       143.60     139.23       0.92       
DT          C7       C        59          11.96        14.90      14.19       0.62       
DT          C1'      C        215         80.60        92.22      86.88       1.37       
DT          C2'      C        195         34.38        42.96      39.99       0.88       
DT          C3'      C        176         71.58        80.10      77.49       1.64       
DT          C4'      C        64          78.80        89.31      86.04       1.46       
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        261         -5.65        47.79      -1.36       7.03