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Statistics Calculated for Selected Chemical Shifts from Atoms in the 4 Common DNA Nucleotides


BMRB Entries not included in the calculations for this table contained chemical shifts outside six standard deviations from the mean calculated for the full BMRB database. This criterium was used to eliminate from the calculations chemical shifts from entries where non-standard chemical shift referencing was used. Of the 52951 possible chemical shifts in the BMRB database, 28241 were included in calculating this table.

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: 09-09-2017
Nucleotide   Atom    Atom     Number     Minimum     Maximum    Average    Standard    
             Name    Type    of Shifts    Shift       Shift      Shift     Deviation   


DA          H2       H        444          6.34         8.53       7.65       0.36       
DA          H61      H        63           5.53        13.40       7.17       1.34       
DA          H62      H        66           5.31        12.90       6.73       1.26       
DA          H8       H        533          7.21         8.69       8.13       0.22       
DA          H1'      H        530          5.19         6.67       6.07       0.24       
DA          H2'      H        530          0.84         3.15       2.61       0.25       
DA          H2''     H        528          0.58         3.34       2.74       0.27       
DA          H3'      H        517          4.26         5.50       4.95       0.15       
DA          H4'      H        396          3.37         5.20       4.34       0.17       
DA          H5'      H        212          3.22         5.69       4.05       0.25       
DA          H5''     H        195          3.25         4.41       4.03       0.18       
DA          C2       C        106        152.40       159.33     154.86       1.19       
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        113        138.51       142.70     141.42       0.80       
DA          C1'      C        114         82.03        91.90      85.27       1.08       
DA          C2'      C        110         37.24        42.38      40.48       0.90       
DA          C3'      C        86          72.71        81.69      78.55       1.41       
DA          C4'      C        55          84.43        88.10      86.98       0.96       
DA          C5'      C        38          47.77        68.76      66.80       3.55       
DA          N1       N        1          223.40       223.40     223.40       0.00       
DA          N3       N        1          214.50       214.50     214.50       0.00       
DA          N6       N        9           77.40        81.70      80.22       1.29       
DA          N7       N        1          234.10       234.10     234.10       0.00       
DA          N9       N        1          170.20       170.20     170.20       0.00       
DA          P        P        164         -4.87         3.76      -2.51       1.97       

DC          H41      H        243          4.92        12.08       7.64       0.89       
DC          H42      H        219          5.71        10.48       7.42       1.02       
DC          H5       H        600          4.52         8.25       5.59       0.35       
DC          H6       H        607          6.28         8.31       7.48       0.24       
DC          H1'      H        605          4.85         6.57       5.88       0.30       
DC          H2'      H        604          1.06         2.82       2.06       0.23       
DC          H2''     H        588          1.48         3.47       2.36       0.22       
DC          H3'      H        563          4.16         5.28       4.75       0.16       
DC          H4'      H        431          1.58         4.83       4.12       0.35       
DC          H5'      H        218          2.57         4.43       3.99       0.28       
DC          H5''     H        193          2.83         4.52       3.99       0.27       
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        108         96.87        99.90      98.68       0.52       
DC          C6       C        102        139.80       144.70     143.13       0.85       
DC          C1'      C        108         83.85        88.53      87.36       1.06       
DC          C2'      C        96          38.42        42.27      40.55       0.71       
DC          C3'      C        78          71.94        80.30      77.45       1.58       
DC          C4'      C        43          83.93        88.39      86.17       1.10       
DC          C5'      C        27          63.00        68.40      66.26       1.67       
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        206         -5.03         3.62      -2.62       2.11       

DG          H1       H        698          9.68        13.63      11.88       0.80       
DG          H21      H        193          4.64        11.04       8.50       1.49       
DG          H22      H        177          4.34        10.10       6.93       1.13       
DG          H8       H        1092         6.48         8.44       7.79       0.24       
DG          H1'      H        1094         4.80         6.63       5.95       0.28       
DG          H2'      H        1088         1.56         3.71       2.63       0.26       
DG          H2''     H        1063         1.16         3.85       2.69       0.22       
DG          H3'      H        1052         4.21         5.90       4.95       0.16       
DG          H4'      H        890          3.50         5.20       4.38       0.19       
DG          H5'      H        553          2.83         5.55       4.14       0.24       
DG          H5''     H        474          2.86         4.73       4.12       0.23       
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        134.38       142.93     138.34       1.56       
DG          C1'      C        129         80.88        91.07      85.25       1.54       
DG          C2'      C        111         34.09        44.38      40.23       1.23       
DG          C3'      C        97          72.04        81.41      78.04       1.88       
DG          C4'      C        59          75.27        89.40      86.94       1.99       
DG          C5'      C        45          63.78        70.05      67.23       1.65       
DG          N1       N        29         142.74       147.70     145.51       1.99       
DG          N2       N        5           75.10        76.10      75.52       0.38       
DG          N7       N        1          238.30       238.30     238.30       0.00       
DG          N9       N        1          168.50       168.50     168.50       0.00       
DG          P        P        257         -5.66         3.99      -2.53       2.14       

DT          H3       H        294          6.65        14.46      13.00       1.31       
DT          H6       H        805          6.43         8.10       7.39       0.26       
DT          H71      H        656          0.65         2.73       1.61       0.26       
DT          H72      H        656          0.65         2.72       1.61       0.26       
DT          H73      H        656          0.65         2.72       1.61       0.26       
DT          H1'      H        800          4.62         6.72       5.96       0.32       
DT          H2'      H        801          0.50         2.79       2.13       0.27       
DT          H2''     H        790          0.78         2.94       2.35       0.26       
DT          H3'      H        769          3.79         5.89       4.78       0.19       
DT          H4'      H        539          2.24         4.98       4.14       0.32       
DT          H5'      H        341          2.54         4.49       3.95       0.36       
DT          H5''     H        326          2.54         4.61       3.95       0.37       
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        196        136.08       143.60     139.25       0.76       
DT          C7       C        48          11.96        14.90      14.23       0.65       
DT          C1'      C        188         83.76        92.22      87.07       1.18       
DT          C2'      C        183         37.22        42.96      40.04       0.79       
DT          C3'      C        162         73.35        80.10      77.57       1.56       
DT          C4'      C        48          83.43        89.31      85.97       1.05       
DT          C5'      C        33          63.32        68.40      66.76       1.28       
DT          N1       N        1          142.90       142.90     142.90       0.00       
DT          N3       N        29         158.40       160.50     159.31       0.59       
DT          P        P        187         -5.62         0.67      -2.77       1.88