HIS N Chemical Shift Outliers
Average chemical shift: 119.749
Standard deviation: 4.033
| Low-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
|---|---|---|---|---|
| 4098 | 43 | N | 133.70 | 1 |
| 4130 | 80 | N | 137 | |
| 4131 | 80 | N | 137 | |
| 4166 | 59 | N | 132.487 | 1 |
| 4255 | 89 | N | 132.08 | 1 |
| 4329 | 69 | N | 132.24 | 1 |
| 4580 | 31 | N | 133.4 | 1 |
| 4602 | 26 | N | 132.4 | 1 |
| 4602 | 80 | N | 137.8 | 1 |
| 4909 | 51 | N | 133.91 | 1 |
| 5218 | 83 | N | 132.4 | 1 |
| 5514 | 217 | N | 133.72 | 1 |
| 5514 | 231 | N | 136.48 | 1 |
| 5578 | 116 | N | 131.9 | |
| 5579 | 116 | N | 132.0 | |
| 5884 | 6 | N | 132.563 | 1 |
| 5918 | 76 | N | 133.500 | 1 |
| 6184 | 98 | N | 132.590 | 1 |
| 6369 | 97 | N | 132.2 | 1 |
| 6597 | 50 | N | 133.760 | 1 |
| 6693 | 118 | N | 131.999 | 1 |
| 6726 | 115 | N | 133.373 | 1 |
| 6785 | 32 | N | 132.369 | 1 |
| 6939 | 72 | N | 132.917 | |
| 7003 | 140 | N | 132.015 | 1 |
| 7218 | 43 | N | 134.257 | |
| 7277 | 76 | N | 133.325 | 1 |
| 7351 | 99 | N | 132.469 | 1 |
| 10242 | 47 | N | 133.900 | 1 |
| 10318 | 127 | N | 132.542 | 1 |
| 11191 | 48 | N | 133.127 | 1 |
| 11330 | 91 | N | 132.514 | 1 |
| 15208 | 70 | N | 132.080 | 1 |
| 15429 | 43 | N | 133.557 | 1 |
| 15433 | 43 | N | 133.809 | 1 |
| 15433 | 60 | N | 132.400 | 1 |
| 15434 | 43 | N | 133.809 | 1 |
| 15434 | 60 | N | 132.400 | 1 |
| 15446 | 33 | N | 132.798 | 1 |
| 15835 | 133 | N | 135.322 | 1 |
| 15877 | 10 | N | 159.135 | 1 |
| 15928 | 50 | N | 134.180 | 1 |
| 15950 | 36 | N | 132.209 | 1 |
| 16072 | 95 | N | 133.0 | 1 |
| 16517 | 35 | N | 133.9 | 1 |
| 16822 | 118 | N | 132.047 | 1 |
| 16842 | 17 | N | 132.191 | 1 |
| 17074 | 46 | N | 133.480 | 1 |
| 17076 | 46 | N | 132.883 | 1 |
| 17077 | 46 | N | 132.236 | 1 |
| 17364 | 120 | N | 132.581 | 1 |
| 17518 | 21 | N | 133.346 | 1 |
| 17519 | 21 | N | 133.248 | 1 |
| 17811 | 43 | N | 132.195 | 1 |
| 17905 | 43 | N | 133.203 | 1 |
| 18003 | 103 | N | 134.5946 | 1 |
| 18003 | 106 | N | 133.0298 | 1 |
| 18003 | 108 | N | 133.7666 | 1 |
| 18003 | 115 | N | 134.3038 | 1 |
| 18364 | 10 | N | 133.616 | 1 |
| 18712 | 106 | N | 135.053 | |
| 18787 | 17 | N | 132.791 | 1 |
| 19047 | 149 | N | 132.941 | 1 |
| 19048 | 149 | N | 132.662 | 1 |
| 19079 | 8 | N | 132.990 | |
| 19204 | 16 | N | 133.287 | |
| 19424 | 153 | N | 134.217 | 1 |
| 19424 | 83 | N | 134.794 | 1 |
| 19425 | 188 | N | 134.195 | 1 |
| 19560 | 140 | N | 131.91 | 1 |
| 19560 | 35 | N | 132.69 | 1 |
| 19749 | 59 | N | 132.2 | 1 |
| 25243 | 43 | N | 133.201 | |
| 25442 | 22 | N | 427.146 | |
| 25477 | 17 | N | 138.291 | 1 |
| 25836 | 29 | N | 132.381 | |
| 25874 | 17 | N | 132.614 | 1 |
| 26608 | 78 | N | 133.013 | 1 |
| 26609 | 78 | N | 132.568 | 1 |
| 26644 | 79 | N | 133.365 | 1 |
| 26950 | 162 | N | 132.487 | 1 |
| 26952 | 162 | N | 131.970 | 1 |
| 27043 | 189 | N | 132.38 | 1 |
| 27363 | 17 | N | 132.696 | 1 |
| 27411 | 158 | N | 132.5 | 1 |
| 27564 | 149 | N | 132.868 | 1 |
| 27691 | 44 | N | 132.240 | 1 |
| 27721 | 46 | N | 133.45465 | 1 |
| 27722 | 46 | N | 133.36553 | 1 |
| 27959 | 68 | N | 134.585 | 1 |
| 27987 | 17 | N | 138.806 | 1 |
| 28063 | 16 | N | 133.200 | |
| 30318 | 24 | N | 133.838 | 1 |
| 30598 | 67 | N | 132.342 | 1 |
| 34471 | 147 | N | 131.969 | |
| 34472 | 148 | N | 131.969 | |
| 50080 | 73 | N | 133.078 | |
| 50080 | 73 | N | 133.398 | |
| 50283 | 46 | N | 133.3445 | |
| 50284 | 46 | N | 133.2991 | |
| 50285 | 46 | N | 133.3810 | |
| 50730 | 17 | N | 132.649 | 1 |
| 50731 | 17 | N | 132.818 | 1 |
| 50732 | 17 | N | 132.608 | 1 |
| 50784 | 35 | N | 133.158 | 1 |
| 50945 | 154 | N | 132.195 | 1 |
| 51083 | 46 | N | 132.044 | 1 |
| 51084 | 46 | N | 132.048 | 1 |
| 51269 | 68 | N | 132.5 | |
| 51270 | 68 | N | 133.01 | |
| 51271 | 68 | N | 132.55 | |
| 51272 | 68 | N | 132.91 | |
| 51273 | 68 | N | 132.76 | |
| 51274 | 68 | N | 132.94 | |
| 51275 | 68 | N | 132.83 | |
| 51276 | 68 | N | 132.47 | |
| 51277 | 68 | N | 132.43 | |
| 51278 | 68 | N | 132.27 | |
| 51279 | 68 | N | 132.46 | |
| 51280 | 68 | N | 132.06018 | |
| 51378 | 154 | N | 131.96 | 1 |
| 51822 | 156 | N | 132.961 | |
| 51823 | 156 | N | 132.467 | |
| 51937 | 69 | N | 133.136 | 1 |
| High-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
|---|---|---|---|---|
| 4022 | 243 | N | 105.1 | 1 |
| 4031 | 12 | N | 105.00 | 1 |
| 4032 | 12 | N | 105.00 | 1 |
| 4102 | 82 | N | 106.9 | 1 |
| 4295 | 25 | N | 107.15 | 1 |
| 4370 | 13 | N | 105.6 | 1 |
| 4371 | 11 | N | 107.449 | |
| 4371 | 11 | N | 107.603 | 1 |
| 4735 | 67 | N | 107.10 | 1 |
| 4825 | 11 | N | 106.53 | 1 |
| 4893 | 11 | N | 106.99 | 1 |
| 4980 | 13 | N | 105.9 | 1 |
| 5398 | 122 | N | 105.8 | 1 |
| 5668 | 122 | N | 105.8 | 1 |
| 5689 | 69 | N | 107.272 | 1 |
| 5787 | 10 | N | 106.834 | 1 |
| 6279 | 13 | N | 106.12 | 1 |
| 6709 | 70 | N | 107.450 | 1 |
| 6921 | 31 | N | 107.342 | 1 |
| 7016 | 32 | N | 0.2 | |
| 7206 | 16 | N | 105.518 | 1 |
| 11058 | 1 | N | 32 | 1 |
| 11059 | 1 | N | 38 | 1 |
| 11348 | 37 | N | 107.159 | 1 |
| 15109 | 71 | N | 106.507 | 1 |
| 15120 | 124 | N | 107.1 | |
| 15280 | 70 | N | 106.93 | 1 |
| 15395 | 124 | N | 106.931 | |
| 15396 | 124 | N | 106.93 | |
| 15509 | 71 | N | 106.2 | 1 |
| 15558 | 42 | N | 107.494 | 1 |
| 15685 | 6 | N | 1.000 | 1 |
| 15757 | 16 | N | 106.6 | 1 |
| 15932 | 65 | N | 107.287 | 1 |
| 16040 | 10 | N | 107.185 | 1 |
| 16703 | 35 | N | 106.061 | 1 |
| 16705 | 35 | N | 106.201 | 1 |
| 17477 | 42 | N | 107.438 | 1 |
| 17493 | 156 | N | 106.683 | 1 |
| 17719 | 62 | N | 107.5 | 1 |
| 17762 | 12 | N | 106.607 | 1 |
| 17775 | 29 | N | 103.64 | 1 |
| 17776 | 29 | N | 103.70 | 1 |
| 17973 | 58 | N | 107.50 | 1 |
| 18197 | 18 | N | 106.685 | 1 |
| 18321 | 80 | N | 107.6314 | 1 |
| 18422 | 69 | N | 107.2 | 1 |
| 18596 | 15 | N | 105.7 | 1 |
| 18653 | 125 | N | 104.956 | 1 |
| 18673 | 93 | N | 106.5 | 1 |
| 18741 | 190 | N | 106.928 | 1 |
| 19047 | 86 | N | 107.147 | 1 |
| 19065 | 12 | N | 105.376 | |
| 19085 | 35 | N | 106.163 | 1 |
| 19454 | 11 | N | 63.1 | 1 |
| 19454 | 17 | N | 58.6 | 1 |
| 19454 | 3 | N | 50.0 | 1 |
| 19454 | 4 | N | 61.9 | 1 |
| 19455 | 11 | N | 70.4 | 1 |
| 19455 | 17 | N | 61.1 | 1 |
| 19455 | 3 | N | 58.4 | 1 |
| 19455 | 4 | N | 63.5 | 1 |
| 19456 | 11 | N | 57.2 | 1 |
| 19456 | 3 | N | 59.0 | 1 |
| 19456 | 4 | N | 65.3 | 1 |
| 19457 | 11 | N | 61.5 | 1 |
| 19457 | 3 | N | 62.5 | 1 |
| 19457 | 4 | N | 71.5 | 1 |
| 19616 | 162 | N | 103.986 | 1 |
| 19742 | 162 | N | 105.893 | 1 |
| 19744 | 162 | N | 105.893 | 1 |
| 19855 | 16 | N | 91.406 | 1 |
| 19857 | 16 | N | 104.344 | 1 |
| 19958 | 75 | N | 106.933 | |
| 25176 | 4 | N | 29.468 | |
| 25176 | 7 | N | 54.392 | |
| 25176 | 80 | N | 51.585 | |
| 25691 | 53 | N | 107.3670 | 1 |
| 25789 | 46 | N | 106.909 | 1 |
| 26048 | 174 | N | 106.545 | 1 |
| 26531 | 15 | N | 105.920 | 1 |
| 26748 | 14 | N | 106.871 | 1 |
| 26952 | 93 | N | 107.330 | 1 |
| 27082 | 161 | N | 106.818 | |
| 27513 | 110 | N | 107.489 | 1 |
| 27514 | 110 | N | 107.158 | 1 |
| 27515 | 110 | N | 107.321 | 1 |
| 27516 | 110 | N | 107.196 | 1 |
| 27542 | 15 | N | 106.1004 | 1 |
| 27544 | 15 | N | 105.7482 | 1 |
| 27545 | 15 | N | 106.0019 | 1 |
| 27546 | 15 | N | 106.0338 | 1 |
| 27564 | 86 | N | 107.063 | 1 |
| 27659 | 15 | N | 106.5944 | 1 |
| 27953 | 34 | N | 106.794 | 1 |
| 28118 | 174 | N | 106.344 | 1 |
| 30572 | 1 | N | 38.7 | 1 |
| 30615 | 11 | N | 63.60 | 1 |
| 30615 | 3 | N | 49.40 | 1 |
| 30615 | 4 | N | 63.90 | 1 |
| 30616 | 11 | N | 67.50 | 1 |
| 30616 | 17 | N | 61.00 | 1 |
| 30616 | 3 | N | 47.20 | 1 |
| 30616 | 4 | N | 63.20 | 1 |
| 34424 | 79 | N | 107.330 | 1 |
| 34471 | 78 | N | 107.318 | |
| 34472 | 79 | N | 107.318 | |
| 34696 | 19 | N | 107.486 | 1 |
| 50269 | 18 | N | 107.1 | 1 |
| 50650 | 13 | N | 106.884 | 1 |
| 50697 | 18 | N | 106.975 | 1 |
| 50733 | 18 | N | 107.203 | 1 |
| 50735 | 18 | N | 106.774 | 1 |
| 50778 | 12 | N | 84.8 | |
| 50797 | 56 | N | 106.90 | |
| 51211 | 70 | N | 106.336 | 1 |
| 51495 | 173 | N | 106.902 | 1 |
| 51785 | 229 | N | 104.073 | 1 |
| 51785 | 229 | N | 105.226 | 1 |