THR N Chemical Shift Outliers
Average chemical shift: 115.367
Standard deviation: 6.094
| Low-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
|---|---|---|---|---|
| 5578 | 84 | N | 134.0 | |
| 5579 | 84 | N | 134.0 | |
| 5815 | 19 | N | 211.5 | 1 |
| 5815 | 36 | N | 159.6 | 1 |
| 5815 | 46 | N | 210.5 | 1 |
| 5877 | 13 | N | 217.8 | |
| 6026 | 49 | N | 139.0 | 1 |
| 6026 | 54 | N | 164.0 | 1 |
| 6659 | 7 | N | 358 | 1 |
| 6660 | 7 | N | 360 | 1 |
| 6661 | 7 | N | 260 | 1 |
| 6662 | 7 | N | 279 | 1 |
| 6663 | 7 | N | 402 | 1 |
| 6664 | 7 | N | 256 | 1 |
| 6665 | 7 | N | 338 | 1 |
| 6666 | 7 | N | 243 | 1 |
| 6667 | 7 | N | 367 | 1 |
| 6668 | 7 | N | 283 | 1 |
| 6669 | 7 | N | 285 | 1 |
| 6670 | 7 | N | 285 | 1 |
| 6671 | 7 | N | 341 | 1 |
| 6672 | 7 | N | 266 | 1 |
| 6673 | 7 | N | 345 | 1 |
| 6674 | 7 | N | 272 | 1 |
| 6675 | 7 | N | 368 | 1 |
| 6676 | 7 | N | 288 | 1 |
| 6677 | 7 | N | 346 | 1 |
| 6678 | 7 | N | 310 | 1 |
| 10056 | 37 | N | 138.274 | 1 |
| 10095 | 35 | N | 134.148 | 1 |
| 11208 | 25 | N | 141.606 | 1 |
| 11547 | 9 | N | 133.650 | 1 |
| 15692 | 21 | N | 177.990 | 1 |
| 15877 | 9 | N | 149.503 | 1 |
| 15881 | 6 | N | 133.969 | 1 |
| 16270 | 106 | N | 133.76 | 1 |
| 17596 | 14 | N | 137.116 | 1 |
| 17668 | 40 | N | 135.586 | 1 |
| 19855 | 3 | N | 137.305 | 1 |
| 19855 | 8 | N | 134.375 | 1 |
| 19867 | 84 | N | 223.0 | |
| 19867 | 89 | N | 215.8 | |
| 27381 | 29 | N | 134.296 | 1 |
| 30208 | 45 | N | 134.618 | 1 |
| 31104 | 22 | N | 222.6 | |
| 31104 | 27 | N | 206.3 | |
| 31232 | 85 | N | 227 | 1 |
| 31232 | 90 | N | 216 | 1 |
| High-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
|---|---|---|---|---|
| 7016 | 35 | N | 0.2 | |
| 7016 | 4 | N | 0.2 | |
| 7016 | 42 | N | 0.2 | |
| 7016 | 71 | N | 0.2 | |
| 10260 | 22 | N | 95.772 | 1 |
| 11103 | 22 | N | 96.999 | 1 |
| 11125 | 22 | N | 95.770 | 1 |
| 12026 | 23 | N | 96.548 | 1 |
| 19454 | 15 | N | 66.6 | 1 |
| 19454 | 21 | N | 47.8 | 1 |
| 19455 | 15 | N | 68.9 | 1 |
| 19455 | 21 | N | 50.2 | 1 |
| 19456 | 21 | N | 43.8 | 1 |
| 19457 | 21 | N | 41.1 | 1 |
| 19718 | 17 | N | 0.0 | 1 |
| 19855 | 70 | N | 93.750 | 1 |
| 25176 | 26 | N | 29.61 | |
| 25176 | 28 | N | 34.389 | |
| 25176 | 36 | N | 26.103 | |
| 25176 | 38 | N | 34.069 | |
| 25176 | 40 | N | 33.926 | |
| 25176 | 43 | N | 41.131 | |
| 25176 | 47 | N | 41 | |
| 25176 | 5 | N | 45.514 | |
| 25681 | 29 | N | 2.966 | |
| 25766 | 62 | N | 97.035 | 1 |
| 27930 | 83 | N | 95.262 | |
| 30615 | 21 | N | 43.60 | 1 |
| 30616 | 15 | N | 70.90 | 1 |
| 30616 | 21 | N | 49.40 | 1 |
| 31232 | 21 | N | 74 | 1 |
| 31232 | 63 | N | 62 | 1 |
| 50305 | 45 | N | 97.054 | 1 |
| 51657 | 12 | N | 95.703 | 1 |
| 51658 | 12 | N | 95.615 | 1 |
| 52003 | 12 | N | 95.707 | |
| 52004 | 12 | N | 95.644 | |