Average chemical shift: 7.302
Standard deviation: 0.514
Low-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
---|---|---|---|---|
4062 | 8 | HE3 | 9.67 | 1 |
4229 | 64 | HE3 | 9.94 | 2 |
4229 | 64 | HE3 | 9.98 | 2 |
4645 | 29 | HE3 | 10.09 | |
4656 | 24 | HE3 | 10.08 | |
15736 | 132 | HE3 | 10.437 | 1 |
15736 | 145 | HE3 | 10.158 | 1 |
15736 | 150 | HE3 | 9.931 | 1 |
15736 | 43 | HE3 | 9.964 | 1 |
17300 | 32 | HE3 | 8.915 | 1 |
18302 | 8 | HE3 | 9.9490 | 1 |
19149 | 29 | HE3 | 9.850 | |
19151 | 140 | HE3 | 9.695 | |
19151 | 144 | HE3 | 9.258 | |
19151 | 44 | HE3 | 10.815 | |
25153 | 56 | HE3 | 11.362 | |
25459 | 32 | HE3 | 9.932 | 1 |
34308 | 123 | HE3 | 12.233 | 1 |
34308 | 244 | HE3 | 10.491 | 1 |
34420 | 41 | HE3 | 10 | |
34420 | 42 | HE3 | 9.23 | |
50260 | 102 | HE3 | 10.253 | 1 |
High-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
---|---|---|---|---|
1163 | 133 | HE3 | 1.98 | 1 |
1163 | 21 | HE3 | 2.38 | 1 |
1163 | 5 | HE3 | 3.43 | 1 |
1164 | 133 | HE3 | 1.98 | 1 |
1164 | 158 | HE3 | 3.74 | 1 |
1164 | 21 | HE3 | 2.28 | 1 |
1164 | 5 | HE3 | 3.44 | 1 |
1165 | 133 | HE3 | 1.98 | 1 |
1165 | 21 | HE3 | 2.4 | 1 |
1165 | 5 | HE3 | 3.43 | 1 |
1166 | 5 | HE3 | 3.37 | 1 |
1167 | 133 | HE3 | 1.85 | 1 |
1167 | 21 | HE3 | 2.38 | 1 |
1167 | 5 | HE3 | 3.45 | 1 |
1168 | 133 | HE3 | 1.9 | 1 |
1168 | 21 | HE3 | 2.39 | 1 |
1168 | 5 | HE3 | 3.45 | 1 |
1346 | 133 | HE3 | 1.92 | 1 |
1346 | 21 | HE3 | 2.31 | 1 |
1347 | 133 | HE3 | 1.91 | 1 |
1347 | 21 | HE3 | 2.33 | 1 |
1347 | 5 | HE3 | 3.46 | 1 |
1348 | 133 | HE3 | 1.91 | 1 |
1348 | 21 | HE3 | 2.31 | 1 |
1348 | 5 | HE3 | 3.46 | 1 |
2283 | 45 | HE3 | 5.57 | 1 |
4082 | 31 | HE3 | 5.25 | 1 |
4161 | 57 | HE3 | 4.89 | 1 |
4218 | 47 | HE3 | 5.508 | 1 |
4262 | 133 | HE3 | 5.68 | 1 |
4313 | 38 | HE3 | 5.34 | 1 |
4342 | 80 | HE3 | 5.08 | 1 |
4853 | 48 | HE3 | 5.64 | 1 |
5036 | 43 | HE3 | 5.72 | |
5198 | 11 | HE3 | 5.26 | 2 |
5396 | 133 | HE3 | 5.718 | 1 |
5397 | 35 | HE3 | 5.74 | 1 |
5623 | 43 | HE3 | 5.35 | 1 |
5880 | 44 | HE3 | 4.998 | 1 |
6469 | 43 | HE3 | 5.682 | 1 |
6469 | 52 | HE3 | 5.682 | 4 |
6906 | 49 | HE3 | 5.735 | 9 |
7105 | 127 | HE3 | 5.620 | 1 |
7105 | 43 | HE3 | 5.480 | 1 |
7203 | 53 | HE3 | 5.650 | |
10035 | 114 | HE3 | 4.567 | 1 |
10039 | 28 | HE3 | 5.441 | 1 |
10115 | 27 | HE3 | 5.194 | 1 |
10250 | 38 | HE3 | 5.359 | 1 |
10293 | 54 | HE3 | 5.597 | 1 |
10296 | 54 | HE3 | 5.528 | 1 |
10311 | 32 | HE3 | 5.127 | 1 |
10314 | 28 | HE3 | 5.164 | 1 |
10317 | 42 | HE3 | 4.984 | 1 |
10319 | 28 | HE3 | 5.208 | 1 |
11088 | 30 | HE3 | 5.290 | 1 |
11089 | 43 | HE3 | 5.157 | 1 |
11105 | 115 | HE3 | 5.678 | 1 |
11126 | 35 | HE3 | 5.598 | 1 |
11142 | 35 | HE3 | 5.497 | 1 |
11145 | 37 | HE3 | 5.695 | 1 |
11147 | 140 | HE3 | 5.490 | 1 |
11158 | 46 | HE3 | 5.528 | 1 |
11228 | 56 | HE3 | 5.463 | 1 |
11345 | 87 | HE3 | 5.329 | 1 |
11430 | 46 | HE3 | 5.59 | 1 |
11431 | 47 | HE3 | 5.59 | 1 |
15808 | 33 | HE3 | 5.672 | 1 |
16082 | 16 | HE3 | 5.417 | 1 |
16163 | 62 | HE3 | 5.740 | 1 |
16163 | 68 | HE3 | 5.068 | 1 |
16252 | 54 | HE3 | 5.555 | 1 |
16293 | 28 | HE3 | 5.715 | 1 |
16293 | 28 | HE3 | 5.734 | 1 |
16407 | 11 | HE3 | 5.70 | 1 |
16883 | 24 | HE3 | 5.602 | 1 |
17147 | 50 | HE3 | 5.5000 | 1 |
17310 | 133 | HE3 | 5.714 | 1 |
17311 | 133 | HE3 | 5.645 | 1 |
17323 | 64 | HE3 | 5.602 | 1 |
17633 | 153 | HE3 | 5.685 | 1 |
17691 | 42 | HE3 | 5.565 | 1 |
17752 | 94 | HE3 | 5.097 | 1 |
17823 | 22 | HE3 | 5.686 | 1 |
17882 | 47 | HE3 | 5.520 | 1 |
17890 | 125 | HE3 | 5.733 | 1 |
17949 | 63 | HE3 | 5.544 | 1 |
18235 | 120 | HE3 | 5.65 | 1 |
18415 | 113 | HE3 | 4.967 | 1 |
19503 | 28 | HE3 | 5.643 | 1 |
19504 | 6 | HE3 | 5.602 | 1 |
19508 | 16 | HE3 | 5.417 | 1 |
19729 | 22 | HE3 | 5.686 | 1 |
19945 | 57 | HE3 | 5.450 | |
21002 | 11 | HE3 | 5.35 | 1 |
21002 | 4 | HE3 | 5.72 | 1 |
25434 | 54 | HE3 | 5.526 | |
25802 | 117 | HE3 | 5.262 | 1 |
27987 | 45 | HE3 | 5.527 | 1 |
30150 | 140 | HE3 | 5.265 | 1 |
30296 | 37 | HE3 | 5.715 | 1 |
30352 | 53 | HE3 | 5.712 | 1 |
30727 | 47 | HE3 | 5.457 | |
34037 | 76 | HE3 | 5.750 | 1 |
34044 | 42 | HE3 | 5.184 | 1 |
34067 | 51 | HE3 | 5.364 | 3 |
34068 | 51 | HE3 | 5.354 | |
34078 | 49 | HE3 | 5.417 | 1 |
34305 | 11 | HE3 | 5.250 | 1 |
34305 | 4 | HE3 | 5.709 | 1 |
34306 | 11 | HE3 | 5.224 | 1 |
34306 | 4 | HE3 | 5.630 | 1 |
34453 | 47 | HE3 | 5.631 | 1 |
34704 | 75 | HE3 | 4.974 | 1 |
34771 | 48 | HE3 | 5.482 | 1 |