GLN NE2 Chemical Shift Outliers
Average chemical shift: 111.87
Standard deviation: 2.958
| 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 |
| 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 | |
| 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 |