TRP N Chemical Shift Outliers
Average chemical shift: 121.547
Standard deviation: 4.014
| Low-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
|---|---|---|---|---|
| 4602 | 22 | N | 134.3 | 1 |
| 4698 | 53 | N | 134.586 | 1 |
| 4704 | 185 | N | 133.900 | 1 |
| 4704 | 6 | N | 133.600 | 1 |
| 4758 | 16 | N | 134.50 | 1 |
| 4779 | 51 | N | 134.50 | 1 |
| 5224 | 71 | N | 134.1 | 1 |
| 5224 | 87 | N | 134.7 | 1 |
| 5355 | 159 | N | 134.639 | 1 |
| 5815 | 26 | N | 207.7 | 1 |
| 5953 | 45 | N | 134.03 | 1 |
| 5954 | 45 | N | 133.96 | 1 |
| 6001 | 123 | N | 134.8 | 1 |
| 6416 | 63 | N | 134.89 | |
| 10053 | 211 | N | 133.59 | 1 |
| 10053 | 72 | N | 134.10 | 1 |
| 10181 | 24 | N | 135.582 | 1 |
| 11073 | 40 | N | 138.107 | 1 |
| 15877 | 8 | N | 150.172 | 1 |
| 15972 | 41 | N | 134.769 | 1 |
| 16021 | 40 | N | 138.113 | 1 |
| 16468 | 25 | N | 133.780 | 1 |
| 16588 | 165 | N | 134.92 | 1 |
| 16967 | 41 | N | 134.127 | 1 |
| 17160 | 151 | N | 134.2 | 1 |
| 17688 | 107 | N | 134.039 | 1 |
| 19843 | 49 | N | 134.26 | |
| 19867 | 32 | N | 210.3 | |
| 19867 | 47 | N | 188.6 | |
| 19867 | 73 | N | 224.6 | |
| 19906 | 18 | N | 135.30 | 1 |
| 19942 | 45 | N | 133.716 | |
| 25048 | 106 | N | 134.40 | 1 |
| 25342 | 13 | N | 135.232 | 1 |
| 25442 | 18 | N | 419.286 | |
| 25442 | 31 | N | 423.160 | |
| 25848 | 62 | N | 135.668 | 1 |
| 26562 | 29 | N | 136.01 | 1 |
| 27858 | 148 | N | 135.356 | 1 |
| 30425 | 106 | N | 133.66714 | 1 |
| 30426 | 106 | N | 133.66714 | 1 |
| 50158 | 100 | N | 137.9 | |
| 50689 | 117 | N | 136.099 | |
| 50778 | 23 | N | 147.0 | |
| 51297 | 54 | N | 135.00 | 1 |
| High-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
|---|---|---|---|---|
| 4011 | 35 | N | 104.5 | 1 |
| 4012 | 118 | N | 25.8 | 1 |
| 4082 | 31 | N | 107.2 | 1 |
| 4276 | 74 | N | 109.12 | 1 |
| 4706 | 49 | N | 108.319 | 1 |
| 4785 | 102 | N | 107.641 | 1 |
| 4786 | 102 | N | 108.1 | 1 |
| 5075 | 94 | N | 109.3 | 1 |
| 5181 | 69 | N | 108.4 | 1 |
| 5310 | 11 | N | 109.4 | 1 |
| 5461 | 11 | N | 108.605 | 1 |
| 5461 | 11 | N | 108.784 | 1 |
| 5504 | 18 | N | 106.704 | |
| 5623 | 96 | N | 108.509 | 1 |
| 5666 | 57 | N | 106.84 | 1 |
| 5794 | 70 | N | 108.983 | 1 |
| 5880 | 97 | N | 108.919 | 1 |
| 6025 | 10 | N | 108.737 | 1 |
| 6278 | 127 | N | 109.500 | 1 |
| 6331 | 18 | N | 107.315 | 1 |
| 6418 | 175 | N | 109.381 | 1 |
| 6439 | 23 | N | 106.438 | 1 |
| 6575 | 3 | N | 109.462 | 1 |
| 6868 | 60 | N | 108.999 | 1 |
| 7002 | 30 | N | 109.03 | 1 |
| 7032 | 87 | N | 109.03 | 1 |
| 7140 | 10 | N | 107.491 | 1 |
| 7141 | 10 | N | 108.635 | 1 |
| 11107 | 34 | N | 109.456 | 1 |
| 11274 | 46 | N | 108.707 | 1 |
| 11428 | 37 | N | 104.8 | 1 |
| 11441 | 103 | N | 108.989 | 1 |
| 11466 | 103 | N | 108.709 | 1 |
| 11506 | 268 | N | 108.305 | 1 |
| 11508 | 8 | N | 108.528 | 1 |
| 11597 | 15 | N | 106.534 | 1 |
| 12000 | 157 | N | 109.100 | 1 |
| 15643 | 91 | N | 106.55 | 1 |
| 15826 | 66 | N | 107.037 | 1 |
| 15912 | 10 | N | 107.76 | 1 |
| 15912 | 10 | N | 107.81 | 1 |
| 15996 | 91 | N | 108.538 | 1 |
| 16124 | 130 | N | 108.120 | 1 |
| 16124 | 24 | N | 108.110 | 1 |
| 16279 | 10 | N | 106.57 | 1 |
| 16311 | 77 | N | 109.174 | 1 |
| 16353 | 19 | N | 107.757 | 1 |
| 16715 | 261 | N | 108.444 | 1 |
| 16738 | 261 | N | 108.444 | 1 |
| 16809 | 8 | N | 107.76 | 1 |
| 16809 | 8 | N | 107.81 | 1 |
| 16982 | 175 | N | 109.001 | 1 |
| 16984 | 175 | N | 109.425 | 1 |
| 17062 | 73 | N | 107.852 | 1 |
| 17062 | 73 | N | 108.809 | 1 |
| 17063 | 73 | N | 108.543 | 1 |
| 17132 | 44 | N | 108.937 | 1 |
| 17133 | 25 | N | 108.574 | 1 |
| 17368 | 13 | N | 108.941 | 1 |
| 17369 | 13 | N | 109.091 | 1 |
| 17632 | 11 | N | 107.380 | 1 |
| 17740 | 73 | N | 108.161 | 1 |
| 17819 | 73 | N | 109.0 | 1 |
| 17829 | 34 | N | 101.970 | 1 |
| 17965 | 35 | N | 108.592 | 1 |
| 18097 | 86 | N | 109.378 | 1 |
| 18321 | 14 | N | 107.4334 | 1 |
| 18333 | 14 | N | 107.5113 | 1 |
| 18480 | 10 | N | 108.872 | 1 |
| 18539 | 37 | N | 108.536 | 1 |
| 18601 | 184 | N | 107.350 | 1 |
| 18609 | 184 | N | 106.274 | 1 |
| 18738 | 246 | N | 108.1454 | 1 |
| 19225 | 70 | N | 108.312 | 1 |
| 19235 | 30 | N | 108.469 | 1 |
| 19423 | 10 | N | 107.363 | 1 |
| 19834 | 180 | N | 106.653 | |
| 19855 | 44 | N | 98.828 | 1 |
| 19857 | 44 | N | 105.469 | 1 |
| 19858 | 44 | N | 108.969 | 1 |
| 25176 | 24 | N | 47.2 | |
| 25176 | 27 | N | 61.296 | |
| 25395 | 16 | N | 109.245 | |
| 25681 | 30 | N | 6.712 | |
| 26328 | 10 | N | 109.430 | 1 |
| 26694 | 22 | N | 109.4 | 1 |
| 26771 | 32 | N | 108.598 | 1 |
| 27015 | 56 | N | 109.364 | 1 |
| 27165 | 72 | N | 107.0600 | 1 |
| 27325 | 7 | N | 108.339 | |
| 27326 | 7 | N | 108.709 | |
| 27345 | 55 | N | 107.618 | 1 |
| 27496 | 124 | N | 109.192 | 1 |
| 27496 | 124 | N | 109.24 | 1 |
| 27496 | 124 | N | 109.26 | 1 |
| 27496 | 124 | N | 109.33 | 1 |
| 27496 | 124 | N | 109.41 | 1 |
| 27520 | 115 | N | 109.209 | 1 |
| 27522 | 115 | N | 108.750 | 1 |
| 27785 | 151 | N | 108.673 | 1 |
| 27984 | 32 | N | 109.479 | 1 |
| 28070 | 11 | N | 109.408 | 1 |
| 28071 | 112 | N | 109.467 | 1 |
| 30425 | 141 | N | 106.8682 | 1 |
| 30426 | 141 | N | 106.8682 | 1 |
| 30605 | 77 | N | 108.74 | 1 |
| 30606 | 77 | N | 108.74 | 1 |
| 31124 | 25 | N | 103.088 | |
| 34218 | 133 | N | 109.242 | 1 |
| 34219 | 133 | N | 109.092 | 1 |
| 34334 | 18 | N | 109.29 | 1 |
| 36471 | 81 | N | 107.011 | 1 |
| 50158 | 361 | N | 109.423 | |
| 50166 | 151 | N | 108.129 | |
| 51368 | 160 | N | 107.503 | |
| 51369 | 160 | N | 107.151 | |
| 51370 | 160 | N | 107.388 | |
| 51371 | 160 | N | 107.446 | |
| 51372 | 136 | N | 108.420 | |
| 51373 | 136 | N | 108.214 | |
| 51374 | 136 | N | 108.303 | |
| 51375 | 136 | N | 108.322 | |
| 51741 | 180 | N | 108.299948 | 1 |