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

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BMRB Entries not included in the calculations for this table contained aromatic and/or paramagnetic ligand(s), or chemical shifts outside eight standard deviations from the average calculated for the full BMRB database, or a chemical shift for at least one carbon bound proton that was greater than 10ppm or was less than -2.5ppm. These criteria were used to eliminate from the calculations chemical shifts from paramagnetic proteins, from proteins with aromatic prosthetic groups, and from entries where unusual chemical shift referencing was used.

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Compound IDAtom NameNumber of ShiftsMinimum ShiftMaximum ShiftAverage ShiftStandard DeviationShift OutliersDistribution Histogram
DAH1'13894.8436.8466.0760.26049histogram
H211606.2268.9757.6470.37434histogram
H2'13450.8393.4042.5830.30963histogram
H2''13380.5753.7842.7530.24745histogram
H3'13044.006.0404.9460.16446histogram
H4'9402.0575.2004.3160.31660histogram
H5'5362.725.6904.0310.27619histogram
H5''4942.6314.6133.9900.29122histogram
H611365.53313.407.1721.1314histogram
H621335.30712.906.9061.2195histogram
H813836.959.18.1230.24367histogram
C1'16281.73491.90385.0721.13614histogram
C2209150.82200159.328154.6571.2009histogram
C2'12636.22842.93440.2531.1697histogram
C3'9771.99380.278.4371.25415histogram
C42150.3150.6150.4500.212 histogram
C4'6684.09788.70786.7081.17613histogram
C52119.8119.9119.8500.071 histogram
C5'4247.7769.70866.4633.5891histogram
C62157.0157.4157.2000.283 histogram
C8278136.457143.806141.2771.2184histogram
N13223.4227225.2001.800 histogram
N33214.5216.4215.7331.069 histogram
N6977.481.780.2221.285 histogram
N72233.5234.1233.8000.424 histogram
N91170.2170.2170.200 histogram
P376-5.473.761-1.9161.81411histogram
DCH1'16864.8507.1035.8630.29565histogram
H2'16470.0993.152.0320.27083histogram
H2''16210.6323.4682.3580.21085histogram
H3415.30515.57515.4820.123 histogram
H3'15362.7705.784.7590.17163histogram
H3+115.29415.29415.294 histogram
H4'10532.0844.844.1420.25765histogram
H417944.91812.087.8190.86210histogram
H427685.7110.8307.3670.92512histogram
H516701.728.2535.5700.39367histogram
H5'5012.574.6554.0130.27345histogram
H5''4342.3354.523.9940.29030histogram
H616955.608.537.4600.27073histogram
C1'16677.9089.58686.9381.5168histogram
C22158.8159.2159.0000.283 histogram
C2'12230.6244.18940.1821.6173histogram
C3'10570.4880.55477.1721.8907histogram
C42167.8168.0167.9000.141 histogram
C4'6877.8088.44985.7282.0432histogram
C512686.98699.998.5451.2616histogram
C5'3959.3068.465.7032.395 histogram
C6240138.897148.81142.9441.2157histogram
N11150.7150.7150.700 histogram
N31196.3196.3196.300 histogram
N41795.1100.40598.2821.291 histogram
P586-9.9833.623-2.0701.99616histogram
DGH120175.881713.9411.9150.85954histogram
H1'29514.16.7255.9130.29078histogram
H2'29020.634.3212.6230.268165histogram
H2''28670.6125.2562.6850.22895histogram
H213853.9511.0398.2041.52619histogram
H223353.9510.107.1191.29251histogram
H3'28013.8246.0854.9370.16490histogram
H4'19802.8205.2004.3580.19568histogram
H5'11992.7335.5534.1320.22723histogram
H5''10511.9374.7304.1070.24119histogram
H829596.079.2507.7890.26954histogram
C1'21774.991.06884.7711.7956histogram
C22156.5156.7156.6000.141 histogram
C2'16532.44544.7739.9981.89826histogram
C3'14167.7281.40778.0052.05911histogram
C42153.1154.0153.5500.636 histogram
C4'10575.27489.486.5832.0272histogram
C556116.532119.735117.8040.979 histogram
C5'7958.5070.05167.1071.8591histogram
C62161.0161.4161.2000.283 histogram
C8657116.831142.928138.0373.12411histogram
N172142.411147.7145.1711.720 histogram
N2575.176.175.5200.377 histogram
N74236.9238.3237.2750.685 histogram
N91168.5168.5168.500 histogram
P670-6.6593.992-2.2261.96635histogram
DTH1'17484.1976.8755.9470.30245histogram
H2'17110.5043.3012.0860.29869histogram
H2''16800.784.8742.3570.26863histogram
H36622.12314.49913.0831.30230histogram
H3'16123.8295.8894.7750.18740histogram
H4'10622.0924.9804.1500.28946histogram
H5'6652.5414.5213.9760.32530histogram
H5''6122.5364.613.9660.31420histogram
H617716.049.4277.3600.28524histogram
M715680.422.7261.5830.26225histogram
C1'25280.6092.21886.6461.50716histogram
C22152.9153.4153.1500.354 histogram
C2'21034.3842.95839.8631.1786histogram
C3'18669.43780.177.3151.9231histogram
C42168.5169.1168.8000.424 histogram
C4'7378.889.31385.8521.7811histogram
C51214.30113.630.92038.527 histogram
C5'4959.468.7766.4951.7701histogram
C6413135.016143.6139.0921.09314histogram
C77411.04791.7230017.01215.4213histogram
N11142.9142.9142.900 histogram
N341158.4160.84159.2940.6111histogram
P375-5.651.453-2.1491.88310histogram