Average chemical shift: 6.704
Standard deviation: 0.225
Low-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
---|---|---|---|---|
190 | 79 | HE2 | 7.75 | 1 |
291 | 146 | HE2 | 7.45 | 1 |
345 | 51 | HE2 | 7.4 | 1 |
346 | 102 | HE2 | 7.43 | 3 |
1394 | 91 | HE2 | 8.62 | 1 |
1416 | 57 | HE2 | 7.46 | 1 |
1538 | 12 | HE2 | 7.63 | 1 |
1539 | 12 | HE2 | 7.63 | 1 |
1543 | 12 | HE2 | 7.63 | 1 |
1544 | 12 | HE2 | 7.63 | 1 |
1545 | 12 | HE2 | 7.68 | 1 |
1546 | 12 | HE2 | 7.68 | 1 |
1646 | 53 | HE2 | 7.59 | 3 |
1647 | 53 | HE2 | 7.93 | 1 |
1700 | 13 | HE2 | 8.5 | 3 |
2352 | 64 | HE2 | 11.7 | 3 |
4042 | 69 | HE2 | 7.40 | 3 |
4064 | 160 | HE2 | 7.39 | 1 |
4142 | 79 | HE2 | 7.47 | 1 |
4321 | 161 | HE2 | 7.86 | 1 |
4435 | 69 | HE2 | 8.02 | 1 |
4471 | 46 | HE2 | 7.47 | 1 |
4761 | 125 | HE2 | 7.50 | 1 |
4829 | 30 | HE2 | 7.4 | 1 |
4901 | 49 | HE2 | 7.68 | 1 |
4920 | 21 | HE2 | 7.460 | 1 |
4990 | 15 | HE2 | 7.43 | 1 |
5026 | 67 | HE2 | 8.65 | |
5129 | 25 | HE2 | 7.608 | 1 |
5185 | 11 | HE2 | 7.45 | 1 |
5248 | 24 | HE2 | 7.529 | |
6393 | 12 | HE2 | 7.38 | 1 |
6444 | 136 | HE2 | 7.414 | |
6444 | 138 | HE2 | 9.035 | |
6953 | 127 | HE2 | 8.287 | 1 |
6953 | 37 | HE2 | 8.299 | 3 |
6967 | 47 | HE2 | 7.38 | 1 |
7058 | 29 | HE2 | 7.662 | 1 |
7121 | 98 | HE2 | 7.42 | 1 |
7142 | 127 | HE2 | 8.287 | 1 |
7142 | 37 | HE2 | 8.299 | 3 |
7209 | 48 | HE2 | 7.612 | 1 |
11298 | 33 | HE2 | 7.419 | 1 |
11299 | 11 | HE2 | 7.663 | 1 |
11299 | 17 | HE2 | 7.681 | 1 |
11299 | 59 | HE2 | 7.771 | 1 |
11537 | 36 | HE2 | 7.542 | 3 |
11546 | 82 | HE2 | 7.467 | 3 |
15382 | 32 | HE2 | 7.71 | |
15394 | 127 | HE2 | 8.285 | 3 |
15399 | 127 | HE2 | 8.287 | 1 |
15399 | 37 | HE2 | 8.299 | 3 |
15893 | 133 | HE2 | 7.423 | 3 |
15927 | 148 | HE2 | 7.473 | 1 |
16070 | 21 | HE2 | 7.529 | |
16088 | 21 | HE2 | 7.529 | |
16100 | 20 | HE2 | 7.503 | 1 |
16278 | 110 | HE2 | 7.393 | 3 |
16328 | 128 | HE2 | 8.285 | 3 |
16616 | 128 | HE2 | 8.284 | 1 |
16616 | 38 | HE2 | 8.314 | 3 |
16772 | 37 | HE2 | 7.391 | 1 |
17278 | 87 | HE2 | 7.717 | 3 |
17284 | 60 | HE2 | 7.416 | 3 |
17673 | 23 | HE2 | 7.538 | 3 |
17711 | 103 | HE2 | 7.4542 | 3 |
17738 | 131 | HE2 | 7.431 | 3 |
17904 | 72 | HE2 | 7.651 | |
17918 | 68 | HE2 | 7.536 | 3 |
18005 | 26 | HE2 | 7.398 | 3 |
18011 | 128 | HE2 | 7.712 | 3 |
18012 | 42 | HE2 | 7.560 | 3 |
18375 | 110 | HE2 | 7.56 | 1 |
18998 | 5 | HE2 | 7.801 | |
18999 | 5 | HE2 | 7.801 | |
19167 | 78 | HE2 | 7.389 | 1 |
19638 | 53 | HE2 | 8.299 | |
19834 | 6 | HE2 | 7.763 | |
25200 | 7 | HE2 | 7.400 | 1 |
25209 | 5 | HE2 | 7.430 | 1 |
25985 | 128 | HE2 | 7.523 | 3 |
26065 | 5 | HE2 | 7.852 | |
26333 | 95 | HE2 | 7.436 | 1 |
26844 | 53 | HE2 | 7.415 | 1 |
27434 | 179 | HE2 | 8.8 | 1 |
27434 | 206 | HE2 | 10.5 | 1 |
27434 | 264 | HE2 | 10.8 | 1 |
27434 | 7 | HE2 | 10.1 | 1 |
27730 | 4 | HE2 | 7.44 | 3 |
27925 | 66 | HE2 | 8.0400 | 3 |
30150 | 104 | HE2 | 7.511 | 1 |
30285 | 80 | HE2 | 7.401 | 1 |
30567 | 52 | HE2 | 7.415 | |
30727 | 4 | HE2 | 7.560 | |
30821 | 133 | HE2 | 7.399 | 1 |
34428 | 87 | HE2 | 7.43 | 1 |
34638 | 90 | HE2 | 7.397 | |
34660 | 88 | HE2 | 7.576 | |
51618 | 19 | HE2 | 7.698 | 3 |
High-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
---|---|---|---|---|
21 | 10 | HE2 | 5.81 | 3 |
21 | 13 | HE2 | 5.81 | 3 |
346 | 51 | HE2 | 5.48 | 1 |
394 | 38 | HE2 | 5.93 | 1 |
759 | 27 | HE2 | 4.53 | 1 |
923 | 51 | HE2 | 5.07 | 3 |
1163 | 155 | HE2 | 2.83 | 1 |
1163 | 29 | HE2 | 2.91 | 1 |
1163 | 68 | HE2 | 2.92 | 1 |
1163 | 85 | HE2 | 2.8 | 1 |
1164 | 155 | HE2 | 2.87 | 1 |
1164 | 29 | HE2 | 2.92 | 1 |
1164 | 68 | HE2 | 2.87 | 1 |
1164 | 85 | HE2 | 2.81 | 1 |
1165 | 155 | HE2 | 2.8 | 1 |
1165 | 29 | HE2 | 2.92 | 1 |
1165 | 68 | HE2 | 2.88 | 1 |
1165 | 85 | HE2 | 2.81 | 1 |
1166 | 155 | HE2 | 2.61 | 1 |
1166 | 29 | HE2 | 2.79 | 1 |
1166 | 68 | HE2 | 2.91 | 1 |
1166 | 85 | HE2 | 2.79 | 1 |
1167 | 155 | HE2 | 2.89 | 1 |
1167 | 29 | HE2 | 2.98 | 1 |
1167 | 68 | HE2 | 2.91 | 1 |
1167 | 85 | HE2 | 2.8 | 1 |
1168 | 155 | HE2 | 2.86 | 1 |
1168 | 29 | HE2 | 2.92 | 1 |
1168 | 68 | HE2 | 2.85 | 1 |
1168 | 85 | HE2 | 2.8 | 1 |
1171 | 97 | HE2 | 5.68 | 3 |
1334 | 27 | HE2 | 4.58 | 1 |
1346 | 155 | HE2 | 2.95 | 1 |
1346 | 29 | HE2 | 3.01 | 1 |
1346 | 68 | HE2 | 2.91 | 1 |
1346 | 85 | HE2 | 2.8 | 1 |
1347 | 155 | HE2 | 2.96 | 1 |
1347 | 29 | HE2 | 3.03 | 1 |
1347 | 68 | HE2 | 2.92 | 1 |
1347 | 85 | HE2 | 2.8 | 1 |
1348 | 155 | HE2 | 2.95 | 1 |
1348 | 29 | HE2 | 3.02 | 1 |
1348 | 68 | HE2 | 2.92 | 1 |
1348 | 85 | HE2 | 2.8 | 1 |
1416 | 76 | HE2 | 4.56 | 1 |
1478 | 43 | HE2 | 6 | 1 |
1674 | 10 | HE2 | 5.97 | 1 |
1729 | 10 | HE2 | 6 | 1 |
2198 | 80 | HE2 | 5.29 | 1 |
2249 | 10 | HE2 | 5.98 | 1 |
2396 | 138 | HE2 | 5.68 | 1 |
2852 | 26 | HE2 | 5.99 | 1 |
4043 | 37 | HE2 | 5.98 | 1 |
4043 | 44 | HE2 | 5.88 | 1 |
4078 | 66 | HE2 | 5.57 | 1 |
4189 | 67 | HE2 | 0.43 | 1 |
4233 | 13 | HE2 | 6.0281 | 3 |
4234 | 22 | HE2 | 6.0262 | 1 |
4234 | 25 | HE2 | 6.0273 | 3 |
4327 | 120 | HE2 | 5.73 | 1 |
4340 | 84 | HE2 | 5.75 | 1 |
4377 | 28 | HE2 | 5.88 | 1 |
4435 | 46 | HE2 | 5.29 | 1 |
4436 | 46 | HE2 | 5.65 | 1 |
4436 | 69 | HE2 | 4.78 | 1 |
4671 | 83 | HE2 | 5.88 | 1 |
4727 | 58 | HE2 | 5.62 | 1 |
4761 | 13 | HE2 | 5.33 | 1 |
4775 | 56 | HE2 | 5.86 | 1 |
4821 | 85 | HE2 | 5.865 | 3 |
4830 | 12 | HE2 | 5.82 | 1 |
4919 | 112 | HE2 | 6.026 | 1 |
5026 | 97 | HE2 | 5.63 | |
5029 | 41 | HE2 | 5.43 | 1 |
5275 | 132 | HE2 | 5.407 | 1 |
5296 | 55 | HE2 | 3.13 | |
5333 | 66 | HE2 | 4.77 | 1 |
5372 | 67 | HE2 | 0.44 | 1 |
5406 | 97 | HE2 | 5.571 | 3 |
5467 | 86 | HE2 | 5.989 | 1 |
5490 | 83 | HE2 | 5.88 | 1 |
5625 | 43 | HE2 | 5.36 | 1 |
5748 | 28 | HE2 | 5.710 | 1 |
5756 | 22 | HE2 | 5.84 | 1 |
5809 | 42 | HE2 | 5.94 | 1 |
5809 | 42 | HE2 | 5.96 | 1 |
5947 | 98 | HE2 | 5.690 | 1 |
6132 | 92 | HE2 | 5.74 | 1 |
6277 | 145 | HE2 | 6.007 | 1 |
6286 | 57 | HE2 | 5.03 | 1 |
6299 | 17 | HE2 | 5.880 | 3 |
6336 | 87 | HE2 | 5.92 | 1 |
6353 | 8 | HE2 | 5.89 | 1 |
6393 | 78 | HE2 | 5.91 | 1 |
6578 | 133 | HE2 | 5.9900 | 1 |
6607 | 92 | HE2 | 5.79 | 1 |
6634 | 43 | HE2 | 5.46 | 1 |
6634 | 66 | HE2 | 6.02 | 1 |
6727 | 92 | HE2 | 5.775 | 1 |
6729 | 32 | HE2 | 6.01 | 1 |
6731 | 43 | HE2 | 5.971 | 1 |
6782 | 132 | HE2 | 5.78 | 1 |
6910 | 14 | HE2 | 5.87 | 1 |
6910 | 50 | HE2 | 5.81 | 1 |
7004 | 3 | HE2 | 5.77 | 1 |
7063 | 35 | HE2 | 5.93 | 1 |
7063 | 37 | HE2 | 5.932 | 1 |
7112 | 29 | HE2 | 5.793 | 3 |
7274 | 96 | HE2 | 5.914 | 1 |
7297 | 101 | HE2 | 5.448 | 1 |
10108 | 48 | HE2 | 6.015 | 3 |
10114 | 10 | HE2 | 5.663 | 1 |
10120 | 81 | HE2 | 5.324 | 1 |
10160 | 80 | HE2 | 6.016 | 1 |
10320 | 90 | HE2 | 5.979 | 1 |
10330 | 70 | HE2 | 5.994 | 1 |
11007 | 19 | HE2 | 6.003 | 3 |
11102 | 67 | HE2 | 6.014 | 1 |
11142 | 108 | HE2 | 5.596 | 1 |
11145 | 73 | HE2 | 5.915 | 1 |
11244 | 52 | HE2 | 5.776 | 1 |
11322 | 49 | HE2 | 5.726 | 1 |
11351 | 114 | HE2 | 5.980 | 1 |
11366 | 55 | HE2 | 5.593 | 1 |
11388 | 24 | HE2 | 5.290 | 1 |
11429 | 16 | HE2 | 5.90 | 3 |
11472 | 34 | HE2 | 5.753 | 3 |
11501 | 31 | HE2 | 5.823 | 3 |
11549 | 40 | HE2 | 5.757 | 3 |
11592 | 68 | HE2 | 5.966 | 1 |
15453 | 19 | HE2 | 5.991 | 3 |
15603 | 112 | HE2 | 5.808 | 3 |
15685 | 100 | HE2 | 6.010 | 3 |
15778 | 78 | HE2 | 5.891 | 3 |
15782 | 38 | HE2 | 5.16 | 3 |
15894 | 19 | HE2 | 5.863 | 3 |
15895 | 19 | HE2 | 5.863 | 3 |
15896 | 19 | HE2 | 5.887 | 3 |
15897 | 19 | HE2 | 5.887 | 3 |
15924 | 156 | HE2 | 6.008 | 3 |
16164 | 61 | HE2 | 5.000 | 1 |
16173 | 25 | HE2 | 5.916 | 1 |
16194 | 22 | HE2 | 5.716 | 3 |
16233 | 51 | HE2 | 4.983 | 3 |
16251 | 59 | HE2 | 5.496 | 1 |
16255 | 10 | HE2 | 6.01 | 3 |
16446 | 52 | HE2 | 6.015 | 3 |
16517 | 117 | HE2 | 5.92 | 3 |
16572 | 55 | HE2 | 5.59 | 3 |
16607 | 98 | HE2 | 6.020 | 1 |
16610 | 6 | HE2 | 5.833 | 1 |
16632 | 27 | HE2 | 5.001 | 3 |
16632 | 27 | HE2 | 5.002 | 3 |
16674 | 43 | HE2 | 5.945 | 3 |
16674 | 65 | HE2 | 5.112 | 3 |
16675 | 143 | HE2 | 5.877 | 3 |
16805 | 74 | HE2 | 5.998 | 2 |
16936 | 37 | HE2 | 6.0260 | 3 |
17111 | 85 | HE2 | 5.642 | 1 |
17250 | 216 | HE2 | 5.971 | 3 |
17277 | 57 | HE2 | 5.785 | 3 |
17370 | 46 | HE2 | 5.38 | 3 |
17398 | 90 | HE2 | 5.920 | 3 |
17418 | 98 | HE2 | 5.939 | |
17447 | 98 | HE2 | 5.720 | 3 |
17481 | 74 | HE2 | 5.906 | 1 |
17519 | 86 | HE2 | 5.831 | 2 |
17529 | 25 | HE2 | 5.846 | 3 |
17544 | 17 | HE2 | 6.005 | 1 |
17622 | 8 | HE2 | 5.787 | 1 |
17623 | 8 | HE2 | 5.895 | 1 |
17737 | 56 | HE2 | 5.886 | 3 |
17747 | 147 | HE2 | 5.869 | 1 |
17754 | 19 | HE2 | 5.71 | 3 |
17816 | 14 | HE2 | 5.937 | 3 |
17816 | 63 | HE2 | 5.974 | 3 |
17883 | 28 | HE2 | 6.028 | 3 |
17903 | 51 | HE2 | 5.223 | |
17957 | 79 | HE2 | 5.7650 | 3 |
18032 | 74 | HE2 | 5.97 | 3 |
18086 | 18 | HE2 | 5.876 | 1 |
18112 | 148 | HE2 | 5.945 | 1 |
18263 | 74 | HE2 | 6.01 | 3 |
18281 | 84 | HE2 | 5.83 | 1 |
18422 | 21 | HE2 | 5.61 | 3 |
18653 | 127 | HE2 | 5.987 | 1 |
18682 | 41 | HE2 | 5.900 | |
18694 | 55 | HE2 | 5.957 | 3 |
18695 | 55 | HE2 | 5.936 | 3 |
18710 | 10 | HE2 | 5.99 | |
18782 | 12 | HE2 | 5.657 | 3 |
18846 | 20 | HE2 | 5.999 | 1 |
18853 | 132 | HE2 | 5.671 | 3 |
18878 | 73 | HE2 | 5.857 | 3 |
18899 | 122 | HE2 | 5.716 | 3 |
18900 | 66 | HE2 | 5.994 | 3 |
19012 | 61 | HE2 | 5.856 | 3 |
19169 | 93 | HE2 | 4.967 | 3 |
19291 | 17 | HE2 | 5.878 | 3 |
19292 | 17 | HE2 | 5.769 | 3 |
19295 | 18 | HE2 | 6.013 | 3 |
19296 | 18 | HE2 | 5.836 | 3 |
19367 | 75 | HE2 | 5.842 | 1 |
19391 | 37 | HE2 | 5.969 | 3 |
19421 | 96 | HE2 | 5.906 | 3 |
19431 | 32 | HE2 | 6.016 | 1 |
19523 | 87 | HE2 | 5.711 | |
19589 | 151 | HE2 | 5.767 | 3 |
19625 | 97 | HE2 | 5.93 | 3 |
19638 | 51 | HE2 | 5.115 | |
19653 | 20 | HE2 | 6.024 | 3 |
19688 | 23 | HE2 | 5.739 | 1 |
19800 | 52 | HE2 | 6.001 | |
19945 | 94 | HE2 | 5.420 | |
19974 | 79 | HE2 | 5.7650 | 3 |
25039 | 109 | HE2 | 5.793 | |
25043 | 13 | HE2 | 6.020 | 1 |
25242 | 56 | HE2 | 5.960 | 1 |
25242 | 56 | HE2 | 5.974 | 1 |
25434 | 61 | HE2 | 5.794 | |
25498 | 62 | HE2 | 6.001 | 3 |
25512 | 35 | HE2 | 5.960 | 3 |
25556 | 167 | HE2 | 5.88 | 3 |
25660 | 97 | HE2 | 5.457 | 1 |
25766 | 169 | HE2 | 5.657 | 1 |
25800 | 14 | HE2 | 5.82 | 1 |
25907 | 67 | HE2 | 3.009 | |
25907 | 97 | HE2 | 5.562 | |
25908 | 46 | HE2 | 4.478 | |
25908 | 48 | HE2 | 5.281 | |
25908 | 97 | HE2 | 5.742 | |
25974 | 16 | HE2 | 5.760 | 1 |
25987 | 78 | HE2 | 5.802 | 1 |
26001 | 15 | HE2 | 5.741 | 1 |
26005 | 17 | HE2 | 5.758 | 3 |
26006 | 17 | HE2 | 5.773 | 3 |
26007 | 17 | HE2 | 5.805 | 3 |
26008 | 17 | HE2 | 5.809 | 3 |
26517 | 37 | HE2 | 5.811 | 1 |
27254 | 67 | HE2 | 5.288 | 3 |
27254 | 97 | HE2 | 5.680 | 3 |
27313 | 48 | HE2 | 5.916 | 3 |
27313 | 52 | HE2 | 5.627 | 3 |
27435 | 68 | HE2 | 5.836 | 1 |
27435 | 89 | HE2 | 5.982 | 1 |
27663 | 37 | HE2 | 5.572 | 3 |
27663 | 50 | HE2 | 5.996 | 3 |
28016 | 83 | HE2 | 5.978 | 3 |
28042 | 26 | HE2 | 6.015 | |
30070 | 26 | HE2 | 5.856 | 1 |
30247 | 35 | HE2 | 5.642 | |
30285 | 42 | HE2 | 5.683 | 1 |
30285 | 82 | HE2 | 5.993 | 1 |
30418 | 51 | HE2 | 5.864 | |
30450 | 73 | HE2 | 5.817 | 3 |
30531 | 37 | HE2 | 5.493 | |
30531 | 50 | HE2 | 5.917 | |
30784 | 32 | HE2 | 5.775 | 3 |
30824 | 26 | HE2 | 6.028 | |
30910 | 265 | HE2 | 5.850 | |
30926 | 107 | HE2 | 6.003 | 3 |
30950 | 107 | HE2 | 6.003 | 3 |
34008 | 16 | HE2 | 5.999 | 1 |
34068 | 58 | HE2 | 5.788 | |
34089 | 31 | HE2 | 5.941 | 3 |
34170 | 16 | HE2 | 5.760 | 1 |
34227 | 69 | HE2 | 5.583 | 1 |
34229 | 69 | HE2 | 5.583 | 1 |
34256 | 67 | HE2 | 5.964 | 3 |
34350 | 14 | HE2 | 5.931 | 1 |
34429 | 87 | HE2 | 5.998 | 1 |
34511 | 47 | HE2 | 5.004 | |
34612 | 16 | HE2 | 5.922 | 1 |
34655 | 16 | HE2 | 5.792 | 1 |
34717 | 16 | HE2 | 6.006 | 1 |
36163 | 45 | HE2 | 6.0100 | 3 |
36516 | 4 | HE2 | 5.5330 | 3 |
50167 | 23 | HE2 | 5.826 | 1 |