Average chemical shift: 111.875
Standard deviation: 2.913
Low-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
---|---|---|---|---|
4030 | 18 | NE2 | 121.2 | 1 |
4101 | 71 | NE2 | 122.3 | 1 |
4682 | 125 | NE2 | 121.0 | |
4881 | 99 | NE2 | 125.4 | 1 |
5044 | 5 | NE2 | 133.301 | 1 |
5054 | 44 | NE2 | 125.6 | 1 |
5224 | 35 | NE2 | 122.4 | 1 |
5355 | 156 | NE2 | 122.152 | 1 |
5887 | 101 | NE2 | 122.8 | 1 |
5888 | 101 | NE2 | 122.9 | 1 |
6026 | 93 | NE2 | 155.0 | 1 |
7219 | 161 | NE2 | 124.302 | 1 |
10120 | 62 | NE2 | 121.096 | 1 |
10149 | 70 | NE2 | 121.959 | 1 |
11143 | 70 | NE2 | 122.054 | 1 |
11390 | 60 | NE2 | 123.970 | 1 |
15129 | 21 | NE2 | 129.253 | 1 |
15941 | 152 | NE2 | 133.880 | 1 |
18283 | 52 | NE2 | 125.331 | 1 |
18394 | 73 | NE2 | 122.349 | 1 |
18651 | 66 | NE2 | 122.656 | 1 |
19854 | 205 | NE2 | 128.392 | 1 |
19854 | 82 | NE2 | 132.382 | 1 |
19854 | 84 | NE2 | 128.393 | 1 |
19943 | 64 | NE2 | 120.709 | |
19946 | 64 | NE2 | 120.709 | |
25382 | 19 | NE2 | 123.810 | |
25382 | 34 | NE2 | 124.715 | |
25382 | 63 | NE2 | 125.138 | |
25382 | 74 | NE2 | 124.927 | |
25436 | 55 | NE2 | 123.270 | 1 |
25442 | 35 | NE2 | 412.160 | |
25469 | 55 | NE2 | 123.215 | 1 |
26854 | 113 | NE2 | 125.310 | 1 |
27467 | 50 | NE2 | 129.213 | |
27608 | 55 | NE2 | 121.696 | |
34009 | 64 | NE2 | 120.709 | |
34803 | 165 | NE2 | 120.867 |
High-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
---|---|---|---|---|
4116 | 73 | NE2 | 92.49 | 1 |
4224 | 111 | NE2 | 65.00 | 1 |
4224 | 118 | NE2 | 64.50 | 1 |
4224 | 47 | NE2 | 64.10 | 1 |
5048 | 109 | NE2 | 97.9 | 1 |
5319 | 109 | NE2 | 98.7 | 1 |
5578 | 108 | NE2 | 102.0 | |
5579 | 108 | NE2 | 101.4 | |
6300 | 37 | NE2 | 47.1 | 1 |
6330 | 65 | NE2 | 33.9 | 1 |
7002 | 41 | NE2 | 102.78 | 1 |
11256 | 48 | NE2 | 101.576 | 1 |
11263 | 48 | NE2 | 102.080 | 1 |
15603 | 56 | NE2 | 100.104 | 1 |
16101 | 52 | NE2 | 101.3 | 1 |
16592 | 51 | NE2 | 81.255 | 1 |
16880 | 41 | NE2 | 102.037 | 1 |
16885 | 41 | NE2 | 102.045 | 1 |
17064 | 109 | NE2 | 98.3 | 1 |
18416 | 62 | NE2 | 102.8 | |
18423 | 42 | NE2 | 102.2 | 1 |
18423 | 46 | NE2 | 99.9 | 1 |
18424 | 42 | NE2 | 102.0 | 1 |
18424 | 46 | NE2 | 99.0 | 1 |
18595 | 109 | NE2 | 98.301 | 1 |
25914 | 56 | NE2 | 102.878 | 1 |
34584 | 60 | NE2 | 101.783 | 1 |
34643 | 55 | NE2 | 102.962 | 1 |
50356 | 60 | NE2 | 101.783 | 1 |
50612 | 122 | NE2 | 85.5000 | 1 |
50612 | 52 | NE2 | 85.9733 | 1 |
50612 | 76 | NE2 | 83.3535 | 1 |