Statistics Calculated for Selected 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' | 2008 | 4.3343 | 6.533 | 5.871 | 0.220 | 50 | |
H2 | 2064 | 6.077 | 9.385 | 7.600 | 0.448 | 8 | |
H2' | 1669 | 3.608 | 5.907 | 4.575 | 0.207 | 30 | |
H3' | 1426 | 3.844 | 5.568 | 4.615 | 0.214 | 30 | |
H4' | 1043 | 3.095 | 5.29 | 4.450 | 0.163 | 25 | |
H5' | 825 | 2.803 | 5.032 | 4.292 | 0.244 | 8 | |
H5'' | 822 | 3.203 | 4.69 | 4.161 | 0.205 | 18 | |
H5" | 4 | 4.257 | 4.613 | 4.435 | 0.206 | | |
H61 | 290 | 5.59 | 10.4 | 7.481 | 0.763 | 4 | |
H62 | 278 | 5.091 | 9.977 | 6.839 | 0.711 | 5 | |
H8 | 2044 | 6.999 | 9.244 | 8.015 | 0.270 | 27 | |
HO2' | 88 | 4.067 | 7.749 | 5.176 | 1.071 | | |
C1' | 1000 | 84.233 | 97.8 | 91.289 | 1.855 | 32 | |
C2 | 1258 | 137.906 | 157.797 | 153.183 | 2.209 | 50 | |
C2' | 711 | 65.245 | 80.581 | 74.967 | 1.930 | 25 | |
C3' | 650 | 62.835 | 80.335 | 73.370 | 2.415 | 18 | |
C4 | 48 | 143.777 | 151.893 | 148.551 | 1.932 | 1 | |
C4' | 630 | 71.993 | 88.318 | 82.476 | 2.111 | 22 | |
C5 | 47 | 66.277 | 121.8 | 118.801 | 8.071 | 2 | |
C5' | 569 | 51.143 | 87.8 | 65.443 | 2.635 | 24 | |
C6 | 47 | 153.489 | 159.6 | 156.878 | 1.201 | 3 | |
C8 | 1233 | 123.676 | 146.887 | 139.699 | 2.025 | 42 | |
N1 | 301 | 153.868 | 229.70 | 219.942 | 11.196 | 10 | |
N3 | 219 | 203.981 | 231.077 | 214.539 | 3.631 | 4 | |
N6 | 140 | 72.580 | 95.780 | 81.885 | 2.943 | 6 | |
N7 | 153 | 221.528 | 236.00 | 230.442 | 2.143 | 5 | |
N9 | 222 | 160.253 | 176.8 | 170.152 | 1.925 | 6 | |
P | 194 | -5.96 | 2.426 | -3.165 | 1.426 | 3 | |
C | H1' | 2330 | 3.841 | 6.424 | 5.553 | 0.218 | 42 | |
H2' | 1852 | 3.388 | 5.068 | 4.329 | 0.207 | 11 | |
H3' | 1655 | 3.212 | 5.633 | 4.412 | 0.192 | 22 | |
H4' | 1184 | 2.936 | 4.942 | 4.327 | 0.187 | 29 | |
H41 | 1189 | 5.639 | 10.38 | 8.015 | 0.634 | 6 | |
H42 | 1166 | 5.23 | 8.936 | 7.141 | 0.622 | 4 | |
H5 | 2314 | 4.195 | 6.623 | 5.472 | 0.281 | 13 | |
H5' | 912 | 2.64 | 4.682 | 4.261 | 0.310 | 16 | |
H5'' | 928 | 2.38 | 5.22 | 4.087 | 0.317 | 33 | |
H5" | 14 | 4.330 | 4.601 | 4.490 | 0.112 | | |
H6 | 2437 | 6.7284 | 8.46 | 7.665 | 0.204 | 25 | |
HO2' | 113 | 3.946 | 8.98 | 5.141 | 1.268 | 3 | |
C1' | 1189 | 85.631 | 96.753 | 92.508 | 1.820 | 13 | |
C2 | 56 | 154.3 | 160.81 | 158.511 | 1.578 | 8 | |
C2' | 912 | 65.065 | 93.761 | 75.215 | 2.434 | 59 | |
C3' | 843 | 59.843 | 99.623 | 72.570 | 2.871 | 37 | |
C4 | 79 | 151.049 | 169.52 | 166.611 | 4.208 | 1 | |
C4' | 786 | 71.834 | 88.136 | 82.120 | 1.914 | 38 | |
C5 | 1203 | 90.927 | 100.424 | 97.131 | 1.509 | 44 | |
C5' | 678 | 50.261 | 70.25 | 64.591 | 2.206 | 23 | |
C6 | 1365 | 126.255 | 145.020 | 140.975 | 1.663 | 55 | |
N1 | 291 | 147.128 | 178.834 | 152.233 | 4.214 | 21 | |
N3 | 306 | 164.113 | 204.3 | 195.327 | 6.636 | 13 | |
N4 | 459 | 91.882 | 104.607 | 97.914 | 1.784 | 14 | |
P | 199 | -5.127 | 1.47 | -3.295 | 1.451 | 1 | |
G | H1 | 2606 | 6.910 | 14.334 | 12.312 | 0.988 | 9 | |
H1' | 2902 | 3.410 | 6.78 | 5.673 | 0.304 | 94 | |
H2' | 2376 | 3.256 | 6.299 | 4.583 | 0.250 | 31 | |
H21 | 450 | 5.409 | 10.075 | 7.504 | 1.147 | | |
H22 | 438 | 4.71 | 10.333 | 6.605 | 1.087 | 8 | |
H3' | 2127 | 3.745 | 5.775 | 4.554 | 0.260 | 56 | |
H4' | 1550 | 3.108 | 5.106 | 4.433 | 0.177 | 33 | |
H5' | 1308 | 2.888 | 5.423 | 4.282 | 0.230 | 18 | |
H5'' | 1301 | 2.550 | 4.774 | 4.185 | 0.235 | 18 | |
H5" | 14 | 4.108 | 4.565 | 4.394 | 0.158 | | |
H8 | 3012 | 5.5538 | 8.625 | 7.610 | 0.361 | 4 | |
HO2' | 108 | 4.206 | 7.097 | 5.260 | 1.056 | | |
C1' | 1451 | 82.254 | 96.603 | 91.513 | 2.008 | 21 | |
C2 | 125 | 151.722 | 162.5 | 155.997 | 1.381 | 20 | |
C2' | 1083 | 64.735 | 85.747 | 74.644 | 2.088 | 54 | |
C3' | 981 | 62.408 | 83.338 | 73.359 | 2.480 | 44 | |
C4 | 71 | 148.9 | 158.620 | 152.573 | 1.899 | 3 | |
C4' | 937 | 72.079 | 89.736 | 82.463 | 2.192 | 41 | |
C5 | 116 | 113.511 | 119.5 | 117.672 | 1.374 | 11 | |
C5' | 865 | 50.360 | 76.336 | 65.659 | 2.593 | 33 | |
C6 | 157 | 154.669 | 163.139 | 161.094 | 1.328 | 20 | |
C8 | 1862 | 121.153 | 144.1548 | 137.015 | 2.218 | 68 | |
N1 | 1777 | 127.307 | 157.9214 | 146.882 | 2.362 | 28 | |
N2 | 201 | 70.806 | 83.378 | 76.306 | 3.331 | | |
N3 | 22 | 149.192 | 171.7 | 162.532 | 3.768 | 5 | |
N7 | 245 | 217.005 | 239.250 | 233.559 | 3.442 | 8 | |
N9 | 381 | 161.426 | 176.4 | 169.352 | 1.930 | 13 | |
P | 275 | -6.0 | 0.237 | -3.073 | 1.502 | 2 | |
U | H1' | 2049 | 3.690 | 6.4429 | 5.605 | 0.252 | 27 | |
H2' | 1669 | 3.16464 | 5.20 | 4.374 | 0.230 | 20 | |
H3 | 1607 | 3.51 | 15.193 | 13.025 | 1.164 | 6 | |
H3' | 1417 | 3.673 | 5.180 | 4.476 | 0.183 | 15 | |
H4' | 1094 | 2.969 | 4.797 | 4.367 | 0.182 | 22 | |
H5 | 1973 | 4.195 | 6.476 | 5.464 | 0.311 | 13 | |
H5' | 836 | 3.133 | 4.97 | 4.253 | 0.248 | 13 | |
H5'' | 835 | 2.756 | 4.860 | 4.145 | 0.218 | 13 | |
H5" | 16 | 4.073 | 4.664 | 4.393 | 0.178 | | |
H6 | 2123 | 6.768 | 8.522 | 7.735 | 0.199 | 24 | |
HO2' | 120 | 3.652 | 8.906 | 5.301 | 1.328 | 1 | |
C1' | 1157 | 85.185 | 96.3 | 91.886 | 2.054 | 11 | |
C2 | 134 | 149.613 | 155.84 | 152.861 | 1.459 | 6 | |
C2' | 850 | 65.212 | 83.743 | 74.618 | 1.706 | 25 | |
C3' | 770 | 62.261 | 80.881 | 73.258 | 2.595 | 17 | |
C4 | 136 | 163.385 | 169.70 | 167.606 | 1.556 | 3 | |
C4' | 744 | 72.067 | 94.42 | 82.602 | 2.200 | 19 | |
C5 | 1114 | 93.740 | 110.2669 | 103.244 | 1.799 | 29 | |
C5' | 651 | 50.507 | 75.965 | 65.009 | 2.374 | 9 | |
C6 | 1261 | 125.749 | 146.8 | 141.565 | 2.113 | 41 | |
N1 | 307 | 139.494 | 167.2 | 148.416 | 6.826 | 7 | |
N3 | 1151 | 151.4264 | 166.3485 | 160.778 | 2.176 | 9 | |
P | 209 | -5.3 | 1.58 | -2.801 | 1.689 | | |