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 19788 possible chemical shifts in the BMRB database, 12589 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: A C G T
Last updated: 05-23-2008
Nucleotide Atom Atom Number Minimum Maximum Average Standard
Name Type of Shifts Shift Shift Shift Deviation
DA H2 H 270 6.37 8.53 7.64 0.39
DA H61 H 41 5.62 8.03 6.95 0.84
DA H62 H 41 5.66 8.23 6.60 0.70
DA H8 H 292 7.21 8.97 8.17 0.19
DA H1' H 292 5.19 6.58 6.07 0.24
DA H2' H 288 1.64 3.01 2.63 0.19
DA H2'' H 288 1.94 3.34 2.78 0.19
DA H3' H 291 4.47 5.50 4.96 0.14
DA H4' H 228 2.08 4.90 4.32 0.30
DA H5' H 132 2.91 4.55 4.05 0.25
DA H5'' H 123 3.09 4.46 4.04 0.20
DA C2 C 66 153.10 155.69 155.14 0.68
DA C8 C 72 139.00 142.70 141.71 0.59
DA C1' C 73 82.90 86.27 85.49 0.62
DA C2' C 70 36.23 42.93 40.46 0.88
DA C3' C 70 72.71 81.69 78.67 1.31
DA C4' C 22 86.10 88.71 87.38 0.62
DA C5' C 19 67.41 69.71 68.26 0.53
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 54 -45.29 35.48 -3.48 11.61
DC H41 H 115 5.50 8.77 7.52 0.84
DC H42 H 114 5.71 8.57 7.29 0.81
DC H5 H 330 3.42 6.39 5.59 0.36
DC H6 H 330 6.35 8.31 7.51 0.25
DC H1' H 329 4.79 6.57 5.90 0.30
DC H2' H 326 1.21 2.82 2.11 0.22
DC H2'' H 321 1.51 2.82 2.36 0.20
DC H3' H 323 4.04 5.28 4.74 0.17
DC H4' H 257 1.58 4.83 4.12 0.36
DC H5' H 162 2.57 4.77 4.02 0.29
DC H5'' H 140 3.24 4.57 4.00 0.23
DC C5 C 72 97.36 99.20 98.75 0.40
DC C6 C 71 141.57 144.70 143.41 0.57
DC C1' C 75 85.40 88.53 87.76 0.81
DC C2' C 64 37.73 42.27 40.78 0.66
DC C3' C 64 71.90 80.00 77.44 1.62
DC C4' C 18 83.93 88.20 86.02 1.22
DC C5' C 19 47.77 68.40 65.30 4.62
DC N4 N 9 95.10 98.60 97.44 1.07
DC P P 57 -9.41 52.72 2.78 16.22
DG H1 H 176 10.17 13.52 12.50 0.63
DG H21 H 40 5.26 10.48 8.06 1.36
DG H22 H 38 5.24 8.26 6.79 0.71
DG H8 H 355 6.48 8.44 7.79 0.21
DG H1' H 356 4.96 6.50 5.85 0.26
DG H2' H 356 1.82 3.75 2.60 0.23
DG H2'' H 353 1.16 3.11 2.64 0.19
DG H3' H 353 4.21 5.40 4.91 0.15
DG H4' H 285 3.60 4.81 4.31 0.17
DG H5' H 185 2.90 4.52 4.07 0.21
DG H5'' H 154 3.56 4.47 4.07 0.21
DG C8 C 68 136.10 139.89 138.97 0.90
DG C1' C 70 83.66 87.51 85.53 0.74
DG C2' C 67 39.19 44.38 40.33 1.05
DG C3' C 66 72.30 79.40 78.14 1.64
DG C4' C 19 85.44 89.40 87.22 1.11
DG C5' C 19 64.11 69.20 67.45 1.61
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 69 -20.92 47.10 3.11 15.91
DT H3 H 161 10.72 14.46 13.51 0.67
DT H6 H 398 4.39 8.33 7.35 0.30
DT H7 H 247 0.42 2.03 1.54 0.24
DT H1' H 398 4.69 6.62 5.96 0.26
DT H2' H 396 1.23 2.78 2.11 0.21
DT H2'' H 396 0.78 2.84 2.39 0.19
DT H3' H 392 4.06 5.89 4.81 0.15
DT H4' H 241 2.00 4.61 4.11 0.30
DT H5' H 133 2.73 4.64 4.00 0.29
DT H5'' H 116 3.47 4.61 4.02 0.19
DT C6 C 153 137.20 140.10 139.38 0.45
DT C7 C 20 14.20 14.80 14.49 0.16
DT C1' C 148 84.90 87.89 87.22 0.65
DT C2' C 148 37.70 41.53 40.20 0.64
DT C3' C 143 73.35 79.90 77.52 1.56
DT C4' C 19 84.60 88.49 86.18 0.96
DT C5' C 19 63.32 68.40 66.71 1.34
DT N3 N 16 158.40 160.50 159.32 0.75
DT P P 59 -4.39 47.79 4.26 15.35
|
