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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 49064 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: 03-23-2017
Nucleotide   Atom    Atom     Number     Minimum     Maximum    Average    Standard    
             Name    Type    of Shifts    Shift       Shift      Shift     Deviation   


DA          H2       H        875          2.60         8.64       7.48       0.83       
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        1025         2.35         9.10       8.00       0.86       
DA          H1'      H        1020         4.19         8.50       6.04       0.33       
DA          H2'      H        1011         1.45         4.82       2.67       0.36       
DA          H2''     H        995          0.58         6.89       2.81       0.36       
DA          H3'      H        978          4.00         6.04       4.94       0.19       
DA          H4'      H        761          2.08         9.13       4.34       0.35       
DA          H5'      H        420          2.79         5.95       4.06       0.30       
DA          H5''     H        379          2.96         8.41       4.07       0.46       
DA          C2       C        97         151.00       159.33     154.92       1.31       
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        107        138.00       142.70     141.41       0.93       
DA          C1'      C        110         81.50        91.90      85.34       1.24       
DA          C2'      C        98          36.23        42.93      40.60       0.90       
DA          C3'      C        93          72.71        83.26      78.62       1.62       
DA          C4'      C        43          84.94        91.33      87.54       1.10       
DA          C5'      C        38          47.77        70.96      67.50       3.56       
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        222        -45.29        35.48      -2.45       5.20       

DC          H41      H        572         -0.26        12.08       7.37       1.15       
DC          H42      H        555         -0.26        10.48       7.48       1.06       
DC          H5       H        1211        -6.22         8.25       5.39       0.91       
DC          H6       H        1225       -14.72         8.31       7.35       1.00       
DC          H1'      H        1216         2.17         6.60       5.72       0.71       
DC          H2'      H        1198       -29.45         6.93       2.12       1.45       
DC          H2''     H        1186       -20.82         8.48       2.39       1.10       
DC          H3'      H        1145        -7.37         8.62       4.72       0.66       
DC          H4'      H        894        -38.59        28.54       4.18       2.44       
DC          H5'      H        450        -18.35        11.19       4.18       1.82       
DC          H5''     H        373        -41.21        15.96       3.99       3.53       
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        107         84.55        99.90      98.02       2.41       
DC          C6       C        105        133.73       144.70     142.65       1.78       
DC          C1'      C        116         77.90        88.53      86.99       1.76       
DC          C2'      C        87          30.62        42.27      40.40       1.54       
DC          C3'      C        100         66.41        80.30      76.58       2.76       
DC          C4'      C        34          77.80        88.39      85.73       2.29       
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        317        -14.20        52.72      -1.70       6.18       

DG          H1       H        1149        -2.91        13.76      11.62       2.17       
DG          H21      H        259        -26.86        18.44       7.06       3.17       
DG          H22      H        250        -26.86        18.44       6.24       3.32       
DG          H8       H        1799         6.07         9.31       7.78       0.25       
DG          H1'      H        1802         2.53        12.45       5.89       0.46       
DG          H2'      H        1757         1.43         8.23       2.67       0.42       
DG          H2''     H        1731         1.16        11.50       2.72       0.43       
DG          H3'      H        1711         0.00        13.24       4.97       0.70       
DG          H4'      H        1419         0.00        13.26       4.46       1.02       
DG          H5'      H        804          0.00         7.82       4.12       0.37       
DG          H5''     H        683          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        124        134.50       142.93     138.33       1.52       
DG          C1'      C        134         74.90        91.82      85.29       2.07       
DG          C2'      C        99          32.64        49.00      40.25       2.19       
DG          C3'      C        112         67.72        81.41      77.78       2.35       
DG          C4'      C        50          77.60        90.64      87.20       1.86       
DG          C5'      C        45          58.50        71.42      67.26       2.37       
DG          N1       N        10         146.70       147.70     147.08       0.29       
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        393        -20.92        47.10      -1.42       6.44       

DT          H3       H        531          2.12        14.53      12.87       2.00       
DT          H6       H        1318         1.61         8.10       7.36       0.32       
DT          H7       H        8            1.46         1.79       1.65       0.13       
DT          H71      H        1147         0.18         7.53       1.60       0.42       
DT          H72      H        1146         0.18         7.53       1.60       0.42       
DT          H73      H        1146         0.18         7.53       1.60       0.42       
DT          H1'      H        1313         1.65         6.72       5.87       0.55       
DT          H2'      H        1308         0.50         6.21       2.16       0.48       
DT          H2''     H        1289         0.78         4.87       2.41       0.36       
DT          H3'      H        1266         3.79        14.11       4.80       0.48       
DT          H4'      H        922          2.00        14.15       4.16       0.56       
DT          H5'      H        561          2.54        14.20       4.24       1.61       
DT          H5''     H        501          0.98         7.19       3.99       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        197        135.80       143.60     139.23       0.85       
DT          C7       C        37          13.52        14.90      14.32       0.39       
DT          C1'      C        190         80.60        92.22      87.08       1.29       
DT          C2'      C        173         34.38        42.96      40.12       0.83       
DT          C3'      C        175         71.58        80.10      77.51       1.62       
DT          C4'      C        41          78.80        89.31      86.30       1.64       
DT          C5'      C        37          59.40        68.40      66.50       1.94       
DT          N1       N        1          142.90       142.90     142.90       0.00       
DT          N3       N        22         158.40       160.50     159.33       0.70       
DT          P        P        242         -5.65        47.79      -1.41       7.30