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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 49064 possible chemical shifts in the BMRB database, 26137 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: 03-23-2017
Nucleotide   Atom    Atom     Number     Minimum     Maximum    Average    Standard    
             Name    Type    of Shifts    Shift       Shift      Shift     Deviation   


DA          H2       H        421          6.34         8.53       7.65       0.36       
DA          H61      H        58           5.62        13.40       7.19       1.35       
DA          H62      H        61           5.66        12.90       6.82       1.27       
DA          H8       H        504          7.21         8.69       8.15       0.20       
DA          H1'      H        501          5.19         6.67       6.08       0.23       
DA          H2'      H        501          1.60         3.15       2.62       0.21       
DA          H2''     H        500          1.93         3.34       2.76       0.20       
DA          H3'      H        500          4.26         5.50       4.95       0.15       
DA          H4'      H        369          2.25         5.20       4.33       0.20       
DA          H5'      H        197          3.22         5.69       4.05       0.26       
DA          H5''     H        182          3.25         4.41       4.02       0.19       
DA          C2       C        88         153.10       159.33     155.10       1.11       
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        95         139.00       142.70     141.57       0.65       
DA          C1'      C        96          82.90        91.90      85.45       0.97       
DA          C2'      C        92          39.35        42.38      40.54       0.65       
DA          C3'      C        80          72.71        81.69      78.74       1.25       
DA          C4'      C        37          84.94        88.10      87.26       0.63       
DA          C5'      C        32          47.77        68.76      67.13       3.73       
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        152         -4.87         3.76      -2.67       1.96       

DC          H41      H        241          5.50        12.08       7.66       0.85       
DC          H42      H        217          5.71        10.48       7.42       1.03       
DC          H5       H        586          4.52         6.69       5.58       0.32       
DC          H6       H        592          6.28         8.31       7.49       0.23       
DC          H1'      H        590          4.85         6.57       5.88       0.30       
DC          H2'      H        589          1.06         2.82       2.06       0.23       
DC          H2''     H        576          1.51         3.47       2.37       0.22       
DC          H3'      H        560          4.16         5.28       4.74       0.16       
DC          H4'      H        420          1.58         4.83       4.12       0.37       
DC          H5'      H        216          2.57         4.43       3.98       0.29       
DC          H5''     H        191          2.83         4.52       3.98       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        95          97.30        99.90      98.68       0.51       
DC          C6       C        89         139.80       144.70     143.13       0.89       
DC          C1'      C        95          83.85        88.53      87.47       1.08       
DC          C2'      C        83          38.42        42.27      40.62       0.66       
DC          C3'      C        77          71.94        80.30      77.47       1.58       
DC          C4'      C        30          83.93        88.39      86.20       1.21       
DC          C5'      C        26          63.00        68.40      66.25       1.70       
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        195         -5.03         3.62      -2.74       2.11       

DG          H1       H        615          9.68        13.63      11.94       0.80       
DG          H21      H        138          4.64        10.90       8.16       1.55       
DG          H22      H        124          4.34        10.10       7.04       1.26       
DG          H8       H        997          6.48         8.44       7.79       0.24       
DG          H1'      H        999          4.80         6.63       5.94       0.28       
DG          H2'      H        993          1.56         3.71       2.63       0.26       
DG          H2''     H        970          1.16         3.85       2.69       0.21       
DG          H3'      H        971          4.21         5.90       4.95       0.15       
DG          H4'      H        811          3.50         5.20       4.38       0.19       
DG          H5'      H        490          2.83         5.55       4.14       0.25       
DG          H5''     H        415          2.86         4.73       4.12       0.22       
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        100        135.18       142.93     138.69       1.35       
DG          C1'      C        105         82.17        91.07      85.60       1.39       
DG          C2'      C        87          34.09        44.38      40.27       1.25       
DG          C3'      C        85          72.04        81.41      78.21       1.92       
DG          C4'      C        38          85.44        89.40      87.42       0.96       
DG          C5'      C        33          63.78        69.60      67.58       1.63       
DG          N1       N        9          146.70       147.40     147.01       0.20       
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        248         -5.66         3.99      -2.61       2.14       

DT          H3       H        270          6.65        14.46      13.10       1.22       
DT          H6       H        757          6.43         8.10       7.40       0.26       
DT          H71      H        608          0.65         2.73       1.61       0.26       
DT          H72      H        608          0.65         2.72       1.61       0.26       
DT          H73      H        608          0.65         2.72       1.61       0.26       
DT          H1'      H        752          4.62         6.72       5.97       0.31       
DT          H2'      H        753          0.50         2.79       2.13       0.26       
DT          H2''     H        742          0.78         2.94       2.36       0.25       
DT          H3'      H        736          3.79         5.89       4.79       0.19       
DT          H4'      H        495          2.24         4.98       4.15       0.32       
DT          H5'      H        309          2.54         4.49       3.97       0.34       
DT          H5''     H        295          2.54         4.61       3.97       0.35       
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        181        136.08       143.60     139.29       0.70       
DT          C7       C        33          13.68        14.90      14.42       0.28       
DT          C1'      C        173         84.55        92.22      87.24       1.04       
DT          C2'      C        168         37.70        42.96      40.15       0.72       
DT          C3'      C        161         73.35        80.10      77.60       1.54       
DT          C4'      C        34          84.14        89.31      86.27       1.05       
DT          C5'      C        30          63.32        68.40      66.89       1.26       
DT          N1       N        1          142.90       142.90     142.90       0.00       
DT          N3       N        17         158.40       160.50     159.31       0.73       
DT          P        P        175         -5.62         0.67      -2.90       1.87