Statistics Calculated for All Chemical Shifts from Atoms in the 4 Common RNA Nucleotides
Compound ID | Atom Name | Number of Shifts | Minimum Shift | Maximum Shift | Average Shift | Standard Deviation | Shift Outliers | Distribution Histogram | A | H1' | 2475 | 3.699 | 7.198 | 5.874 | 0.233 | 45 | |
H2 | 2507 | 6.077 | 9.385 | 7.608 | 0.449 | 8 | |
H2' | 2072 | 3.608 | 5.907 | 4.583 | 0.216 | 26 | |
H3' | 1811 | 3.844 | 5.568 | 4.622 | 0.215 | 30 | |
H4' | 1384 | 0.36 | 5.29 | 4.458 | 0.199 | 14 | |
H5' | 1097 | 2.803 | 5.032 | 4.297 | 0.236 | 10 | |
H5'' | 1052 | 3.203 | 153.9 | 4.314 | 4.621 | 1 | |
H5" | 4 | 4.257 | 4.613 | 4.435 | 0.206 | | |
H61 | 390 | 5.59 | 10.85 | 7.533 | 0.784 | 4 | |
H62 | 352 | 5.091 | 9.977 | 6.846 | 0.707 | 5 | |
H8 | 2490 | 6.999 | 9.244 | 8.015 | 0.274 | 24 | |
HO2' | 101 | 4.067 | 7.749 | 5.188 | 1.065 | | |
C1' | 1349 | 83.815 | 130.3850 | 91.581 | 3.138 | 14 | |
C2 | 1586 | 72.4 | 167.71 | 152.441 | 6.219 | 29 | |
C2' | 975 | 4.74587 | 99.00 | 75.145 | 5.042 | 15 | |
C3' | 895 | 62.835 | 101.40 | 73.769 | 3.643 | 11 | |
C4 | 79 | 141.438 | 152.508 | 148.141 | 2.539 | | |
C4' | 874 | 71.993 | 92.60 | 82.695 | 2.343 | 21 | |
C5 | 62 | 66.277 | 153.63 | 119.834 | 8.310 | 2 | |
C5' | 768 | 51.143 | 109.20 | 66.121 | 5.276 | 10 | |
C6 | 78 | 140.86 | 159.6 | 156.409 | 2.335 | 1 | |
C8 | 1563 | 91.80 | 146.887 | 139.108 | 5.086 | 28 | |
N1 | 383 | 151.9 | 231.924 | 220.454 | 11.003 | 10 | |
N3 | 298 | 166.79 | 231.077 | 214.357 | 4.381 | 3 | |
N6 | 203 | 71.934 | 97.01 | 81.869 | 3.248 | 4 | |
N7 | 214 | 221.528 | 237.304 | 230.656 | 2.345 | 3 | |
N9 | 271 | 160.253 | 176.8 | 170.022 | 1.885 | 6 | |
P | 230 | -5.96 | 2.426 | -2.896 | 1.589 | 2 | |
C | H1' | 2866 | 3.282 | 6.565 | 5.550 | 0.237 | 29 | |
H2' | 2297 | 3.340 | 5.068 | 4.335 | 0.210 | 11 | |
H3' | 2067 | 3.212 | 5.633 | 4.417 | 0.191 | 22 | |
H4' | 1529 | 2.7614 | 12.58 | 4.338 | 0.289 | 8 | |
H41 | 1484 | 5.478 | 10.991 | 7.989 | 0.672 | 4 | |
H42 | 1445 | 5.069 | 9.057 | 7.158 | 0.645 | 1 | |
H5 | 2836 | 4.195 | 7.09 | 5.474 | 0.286 | 11 | |
H5' | 1192 | 2.64 | 7.170 | 4.274 | 0.320 | 16 | |
H5'' | 1176 | 2.38 | 5.22 | 4.099 | 0.315 | 33 | |
H5" | 14 | 4.330 | 4.601 | 4.490 | 0.112 | | |
H6 | 2966 | 5.62 | 8.46 | 7.669 | 0.215 | 20 | |
HO2' | 131 | 3.946 | 9.70 | 5.103 | 1.327 | 1 | |
C1' | 1530 | 84.0 | 118.9520 | 92.659 | 2.028 | 10 | |
C2 | 77 | 6.786 | 189.36 | 158.852 | 19.349 | 1 | |
C2' | 1169 | 44.202 | 99.40 | 75.674 | 4.156 | 26 | |
C3' | 1093 | 59.843 | 104.90 | 73.213 | 5.152 | 25 | |
C4 | 93 | 151.049 | 169.525 | 166.804 | 3.999 | 2 | |
C4' | 1033 | 71.834 | 92.60 | 82.333 | 2.385 | 36 | |
C5 | 1555 | 90.927 | 141.052 | 97.334 | 2.797 | 13 | |
C5' | 864 | 4.08 | 110.20 | 65.083 | 6.673 | 16 | |
C6 | 1703 | 93.40 | 145.020 | 140.172 | 6.102 | 30 | |
N1 | 338 | 91.76 | 178.834 | 151.247 | 7.943 | 7 | |
N3 | 363 | 140.906 | 204.3 | 195.501 | 6.812 | 13 | |
N4 | 578 | 69.955 | 114.449 | 97.722 | 2.526 | 3 | |
P | 241 | -5.127 | 1.47 | -3.009 | 1.612 | | |
G | H1 | 3032 | 4.314 | 14.334 | 12.327 | 1.005 | 8 | |
H1' | 3509 | 3.410 | 7.618 | 5.676 | 0.309 | 92 | |
H2 | 2 | 3.544 | 3.652 | 3.598 | 0.076 | | |
H2' | 2879 | 3.256 | 6.299 | 4.581 | 0.252 | 29 | |
H21 | 573 | 5.409 | 10.272 | 7.557 | 1.125 | | |
H22 | 531 | 4.71 | 10.333 | 6.621 | 1.048 | 8 | |
H3 | 2 | 3.316 | 3.735 | 3.526 | 0.296 | | |
H3' | 2617 | 3.745 | 5.775 | 4.559 | 0.259 | 56 | |
H4 | 2 | 3.838 | 4.025 | 3.932 | 0.132 | | |
H4' | 1954 | 2.660 | 5.106 | 4.435 | 0.188 | 26 | |
H5 | 2 | 3.554 | 3.807 | 3.681 | 0.179 | | |
H5' | 1660 | 2.888 | 5.423 | 4.289 | 0.233 | 18 | |
H5'' | 1608 | 2.550 | 5.11 | 4.181 | 0.231 | 19 | |
H5" | 14 | 4.108 | 4.565 | 4.394 | 0.158 | | |
H6 | 2 | 3.683 | 3.859 | 3.771 | 0.124 | | |
H8 | 3630 | 5.5538 | 8.625 | 7.604 | 0.360 | 4 | |
HO2' | 120 | 4.206 | 7.097 | 5.192 | 1.022 | | |
C1 | 2 | 102.6 | 105.7 | 104.150 | 2.192 | | |
C1' | 1840 | 79.8 | 96.603 | 91.523 | 2.029 | 21 | |
C2 | 170 | 73.7 | 162.5 | 154.524 | 9.157 | 2 | |
C2' | 1382 | 64.735 | 99.40 | 75.155 | 3.741 | 24 | |
C3 | 2 | 74.8 | 75.6 | 75.200 | 0.566 | | |
C3' | 1270 | 62.408 | 102.20 | 73.810 | 4.108 | 18 | |
C4 | 80 | 70.6 | 158.620 | 150.582 | 12.938 | 2 | |
C4' | 1224 | 72.079 | 96.10 | 82.670 | 2.484 | 32 | |
C5 | 158 | 68.97 | 167.24 | 118.214 | 10.757 | 8 | |
C5' | 1099 | 50.360 | 108.20 | 66.274 | 5.368 | 15 | |
C6 | 202 | 63.2 | 163.139 | 159.329 | 10.431 | 2 | |
C8 | 2281 | 88.40 | 146.731 | 136.144 | 6.089 | 51 | |
N1 | 2013 | 72.84 | 166.07 | 146.782 | 3.908 | 12 | |
N2 | 251 | 70.37 | 85.967 | 76.229 | 3.332 | | |
N3 | 43 | 84.63 | 234.10 | 159.232 | 23.561 | 4 | |
N7 | 299 | 217.005 | 240.985 | 233.563 | 3.309 | 8 | |
N9 | 436 | 161.426 | 176.4 | 169.245 | 1.973 | 13 | |
P | 316 | -6.0 | 2.114 | -2.802 | 1.665 | | |
U | H1' | 2450 | 3.690 | 93.7868 | 5.647 | 1.800 | 1 | |
H2' | 2023 | 2.8 | 6.626 | 4.381 | 0.239 | 18 | |
H3 | 1823 | 1.2 | 154.54024 | 13.112 | 3.525 | 2 | |
H3' | 1736 | 3.673 | 7.826 | 4.483 | 0.201 | 11 | |
H4' | 1371 | 2.969 | 4.82 | 4.371 | 0.186 | 20 | |
H5 | 2374 | 3.077 | 7.83 | 5.466 | 0.322 | 11 | |
H5' | 1050 | 3.133 | 4.97 | 4.254 | 0.247 | 13 | |
H5'' | 1019 | 2.057 | 4.860 | 4.143 | 0.234 | 10 | |
H5" | 16 | 4.073 | 4.664 | 4.393 | 0.178 | | |
H6 | 2526 | 5.81 | 8.522 | 7.739 | 0.208 | 21 | |
HO2' | 131 | 3.652 | 9.739 | 5.314 | 1.397 | 1 | |
C1' | 1459 | 80.62447 | 96.950 | 91.871 | 2.111 | 9 | |
C2 | 155 | 146.992 | 183.20 | 153.517 | 4.790 | 4 | |
C2' | 1069 | 65.212 | 99.80 | 74.952 | 3.101 | 16 | |
C3' | 974 | 62.261 | 102.50 | 73.746 | 4.060 | 12 | |
C4 | 154 | 161.289 | 170.230 | 167.569 | 1.766 | 3 | |
C4' | 946 | 72.067 | 94.42 | 82.844 | 2.443 | 16 | |
C5 | 1400 | 80.77 | 154.13 | 103.272 | 2.778 | 6 | |
C5' | 796 | 50.507 | 106.60 | 65.323 | 3.459 | 9 | |
C6 | 1544 | 92.80 | 169.95 | 140.858 | 5.927 | 24 | |
N1 | 343 | 138.691 | 192.140 | 149.129 | 9.047 | 7 | |
N3 | 1285 | 11.26806 | 167.30324 | 160.611 | 4.771 | 1 | |
P | 231 | -5.3 | 1.58 | -2.686 | 1.719 | | |