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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 33585 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: 08-08-2013
Nucleotide   Atom    Atom     Number     Minimum     Maximum    Average    Standard    
             Name    Type    of Shifts    Shift       Shift      Shift     Deviation   


DA          H2       H        642          2.60         8.64       7.43       0.94       
DA          H61      H        117          2.56        13.40       6.77       1.25       
DA          H62      H        114          5.53        12.90       6.98       1.16       
DA          H8       H        753          2.35         9.10       7.95       0.99       
DA          H1'      H        748          4.19         8.50       6.02       0.36       
DA          H2'      H        744          1.45         4.82       2.67       0.39       
DA          H2''     H        734          1.11         6.89       2.83       0.39       
DA          H3'      H        721          4.00         6.04       4.94       0.19       
DA          H4'      H        566          2.08         9.13       4.34       0.39       
DA          H5'      H        317          2.91         5.95       4.07       0.31       
DA          H5''     H        291          3.09         8.41       4.09       0.51       
DA          C2       C        86         151.00       159.33     155.05       1.32       
DA          C8       C        96         138.00       142.70     141.48       0.94       
DA          C1'      C        99          81.50        91.90      85.44       1.26       
DA          C2'      C        87          36.23        42.93      40.58       0.94       
DA          C3'      C        90          72.71        83.26      78.59       1.64       
DA          C4'      C        37          86.10        91.33      87.71       1.06       
DA          C5'      C        30          47.77        70.96      67.77       3.87       
DA          N1       N        2          225.20       227.00     226.10       1.27       
DA          N3       N        2          216.30       216.40     216.35       0.07       
DA          N6       N        8           77.40        81.70      80.15       1.35       
DA          N7       N        1          233.50       233.50     233.50       0.00       
DA          P        P        170        -45.29        35.48      -2.85       5.80       

DC          H41      H        396         -0.26        12.08       7.35       1.28       
DC          H42      H        399         -0.26        10.48       7.32       1.09       
DC          H5       H        839         -6.22         6.69       5.31       1.06       
DC          H6       H        853        -14.72         8.31       7.30       1.18       
DC          H1'      H        847          2.17         6.57       5.66       0.82       
DC          H2'      H        846        -29.45         6.93       2.13       1.72       
DC          H2''     H        825        -20.82         8.48       2.42       1.31       
DC          H3'      H        793         -7.37         8.62       4.71       0.79       
DC          H4'      H        614        -38.59        28.54       4.20       2.94       
DC          H5'      H        334        -18.35        11.19       4.24       2.11       
DC          H5''     H        277        -41.21        15.96       3.98       4.10       
DC          C5       C        99          84.55        99.90      98.03       2.50       
DC          C6       C        97         133.73       144.70     142.71       1.83       
DC          C1'      C        108         77.90        88.53      87.10       1.76       
DC          C2'      C        79          30.62        42.27      40.44       1.61       
DC          C3'      C        98          66.41        80.00      76.54       2.76       
DC          C4'      C        30          77.80        88.39      85.72       2.42       
DC          C5'      C        25          59.30        71.72      66.33       2.96       
DC          N4       N        9           95.10        98.60      97.44       1.07       
DC          P        P        213        -14.20        52.72      -2.08       7.27       

DG          H1       H        664         -2.91        13.76      11.47       2.75       
DG          H21      H        148        -26.86        18.44       6.20       3.78       
DG          H22      H        143        -26.86        18.44       5.44       4.05       
DG          H8       H        1089         6.07         9.31       7.79       0.23       
DG          H1'      H        1092         2.53        12.45       5.86       0.54       
DG          H2'      H        1079         1.56         8.23       2.68       0.48       
DG          H2''     H        1057         1.16        11.50       2.74       0.52       
DG          H3'      H        1044         0.00        13.24       4.98       0.89       
DG          H4'      H        840          0.00        13.26       4.53       1.31       
DG          H5'      H        472          0.00         7.82       4.10       0.44       
DG          H5''     H        411          0.00         7.76       4.09       0.43       
DG          C8       C        111        134.50       140.20     138.24       1.42       
DG          C1'      C        121         74.90        91.82      85.28       1.98       
DG          C2'      C        86          33.12        49.00      40.57       1.89       
DG          C3'      C        100         67.72        80.04      77.75       2.17       
DG          C4'      C        37          77.60        90.64      87.21       2.00       
DG          C5'      C        33          58.50        71.42      67.55       2.35       
DG          N1       N        9          146.70       147.70     147.04       0.28       
DG          N2       N        4           75.10        75.60      75.38       0.22       
DG          N7       N        3          236.90       237.00     236.93       0.06       
DG          P        P        247        -20.92        47.10      -1.47       7.86       

DT          H3       H        414          2.12        14.53      12.81       2.13       
DT          H6       H        914          1.61         8.02       7.34       0.35       
DT          H7       H        48           0.44         1.99       1.55       0.32       
DT          H71      H        708          0.18         7.53       1.58       0.48       
DT          H72      H        708          0.18         7.53       1.58       0.48       
DT          H73      H        707          0.18         7.53       1.58       0.48       
DT          H1'      H        911          1.65         6.72       5.85       0.62       
DT          H2'      H        909          0.73         6.21       2.18       0.53       
DT          H2''     H        895          0.78         4.87       2.45       0.38       
DT          H3'      H        885          4.06        14.11       4.82       0.56       
DT          H4'      H        619          2.00        14.15       4.18       0.63       
DT          H5'      H        374          2.97        14.20       4.39       1.94       
DT          H5''     H        322          0.98         7.19       4.04       0.37       
DT          C5       C        7           14.30        14.55      14.44       0.10       
DT          C6       C        191        135.80       143.60     139.25       0.81       
DT          C7       C        31          13.52        14.90      14.35       0.38       
DT          C1'      C        185         80.60        92.22      87.10       1.28       
DT          C2'      C        167         34.38        41.53      40.13       0.80       
DT          C3'      C        170         71.58        79.90      77.50       1.62       
DT          C4'      C        35          78.80        88.60      86.29       1.66       
DT          C5'      C        31          59.40        68.40      66.40       2.04       
DT          N3       N        21         158.40       160.50     159.33       0.71       
DT          P        P        177         -5.65        47.79      -1.19       8.47       
		   
 
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Last Modified:    Friday, 09-Aug-2013 23:15:59 CDT