TRP HZ2 Chemical Shift Outliers
Average chemical shift: 7.289
Standard deviation: 0.313
| Low-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
|---|---|---|---|---|
| 1394 | 64 | HZ2 | 8.64 | 1 |
| 1673 | 159 | HZ2 | 8.33 | 1 |
| 4436 | 68 | HZ2 | 8.28 | 1 |
| 4452 | 63 | HZ2 | 8.5980 | 1 |
| 4800 | 109 | HZ2 | 8.57 | 1 |
| 4800 | 109 | HZ2 | 8.59 | 1 |
| 5011 | 159 | HZ2 | 8.28 | 1 |
| 5140 | 3 | HZ2 | 10.81 | 3 |
| 6732 | 65 | HZ2 | 8.571 | |
| 10035 | 114 | HZ2 | 8.591 | 1 |
| 10035 | 56 | HZ2 | 8.766 | 1 |
| 11038 | 111 | HZ2 | 8.269 | 1 |
| 11516 | 83 | HZ2 | 8.558 | 1 |
| 16490 | 17 | HZ2 | 8.274 | 1 |
| 19282 | 65 | HZ2 | 8.235 | |
| 25153 | 56 | HZ2 | 8.252 | |
| 36631 | 55 | HZ2 | 8.283 | 1 |
| 36633 | 41 | HZ2 | 9.078 | 1 |
| High-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
|---|---|---|---|---|
| 1163 | 133 | HZ2 | 3.86 | 1 |
| 1163 | 158 | HZ2 | 3.52 | 1 |
| 1163 | 21 | HZ2 | 3.27 | 1 |
| 1163 | 5 | HZ2 | 3.62 | 1 |
| 1164 | 133 | HZ2 | 3.86 | 1 |
| 1164 | 158 | HZ2 | 3.51 | 1 |
| 1164 | 21 | HZ2 | 3.25 | 1 |
| 1164 | 5 | HZ2 | 3.64 | 1 |
| 1165 | 133 | HZ2 | 3.85 | 1 |
| 1165 | 158 | HZ2 | 3.5 | 1 |
| 1165 | 21 | HZ2 | 3.3 | 1 |
| 1165 | 5 | HZ2 | 3.64 | 1 |
| 1166 | 133 | HZ2 | 3.87 | 1 |
| 1166 | 5 | HZ2 | 3.64 | 1 |
| 1167 | 133 | HZ2 | 3.87 | 1 |
| 1167 | 158 | HZ2 | 3.52 | 1 |
| 1167 | 21 | HZ2 | 3.24 | 1 |
| 1167 | 5 | HZ2 | 3.64 | 1 |
| 1168 | 133 | HZ2 | 3.84 | 1 |
| 1168 | 158 | HZ2 | 3.48 | 1 |
| 1168 | 5 | HZ2 | 3.63 | 1 |
| 1346 | 133 | HZ2 | 3.85 | 1 |
| 1346 | 21 | HZ2 | 3.18 | 1 |
| 1347 | 133 | HZ2 | 3.86 | 1 |
| 1347 | 158 | HZ2 | 3.5 | 1 |
| 1347 | 21 | HZ2 | 3.18 | 1 |
| 1347 | 5 | HZ2 | 2.64 | 1 |
| 1348 | 133 | HZ2 | 3.85 | 1 |
| 1348 | 158 | HZ2 | 3.49 | 1 |
| 1348 | 21 | HZ2 | 3.15 | 1 |
| 1348 | 5 | HZ2 | 2.63 | 1 |
| 1474 | 29 | HZ2 | 5.6 | 1 |
| 2198 | 29 | HZ2 | 6.1 | 1 |
| 2281 | 22 | HZ2 | 6.29 | 1 |
| 4030 | 104 | HZ2 | 6.13 | 1 |
| 4035 | 37 | HZ2 | 6.28 | 3 |
| 4150 | 28 | HZ2 | 5.835 | |
| 4161 | 76 | HZ2 | 6.20 | 1 |
| 4206 | 113 | HZ2 | 6.2100 | 3 |
| 4373 | 96 | HZ2 | 6.0 | 1 |
| 4377 | 42 | HZ2 | 5.62 | 1 |
| 4384 | 91 | HZ2 | 6.015 | 1 |
| 4386 | 13 | HZ2 | 6.25 | |
| 4435 | 68 | HZ2 | 5.60 | 1 |
| 4444 | 59 | HZ2 | 5.35 | |
| 4510 | 40 | HZ2 | 5.92 | 1 |
| 4751 | 28 | HZ2 | 6.17 | 1 |
| 4790 | 46 | HZ2 | 6.00 | 1 |
| 4830 | 141 | HZ2 | 6.20 | 1 |
| 4830 | 81 | HZ2 | 6.32 | 1 |
| 5012 | 48 | HZ2 | 5.83 | 1 |
| 5012 | 61 | HZ2 | 4.90 | 1 |
| 5027 | 22 | HZ2 | 5.66 | 1 |
| 5261 | 42 | HZ2 | 6.164 | 4 |
| 5262 | 39 | HZ2 | 5.96 | 1 |
| 5475 | 31 | HZ2 | 6.12 | 1 |
| 5545 | 80 | HZ2 | 6.15 | 1 |
| 5623 | 35 | HZ2 | 6.108 | 1 |
| 5623 | 50 | HZ2 | 6.045 | 1 |
| 5628 | 124 | HZ2 | 6.26 | 1 |
| 5820 | 15 | HZ2 | 6.228 | |
| 5833 | 83 | HZ2 | 6.05 | 1 |
| 5880 | 36 | HZ2 | 6.181 | 1 |
| 6298 | 40 | HZ2 | 6.064 | |
| 6334 | 86 | HZ2 | 6.195 | 1 |
| 6342 | 67 | HZ2 | 6.22 | 1 |
| 6365 | 104 | HZ2 | 5.60 | 1 |
| 6369 | 100 | HZ2 | 5.61 | 1 |
| 6531 | 77 | HZ2 | 5.896 | |
| 6532 | 77 | HZ2 | 5.721 | |
| 6613 | 158 | HZ2 | 5.993 | 1 |
| 6635 | 96 | HZ2 | 5.537 | 1 |
| 6732 | 113 | HZ2 | 6.091 | |
| 6797 | 53 | HZ2 | 6.181 | 1 |
| 6884 | 33 | HZ2 | 6.340 | 1 |
| 6903 | 46 | HZ2 | 6.3390 | 1 |
| 6922 | 40 | HZ2 | 5.815 | 1 |
| 6956 | 73 | HZ2 | 5.750 | 3 |
| 7127 | 26 | HZ2 | 6.27 | 1 |
| 7371 | 70 | HZ2 | 6.342 | 1 |
| 10027 | 24 | HZ2 | 6.277 | 1 |
| 10040 | 79 | HZ2 | 5.833 | 1 |
| 10121 | 55 | HZ2 | 5.897 | 1 |
| 10129 | 40 | HZ2 | 6.344 | 1 |
| 10263 | 27 | HZ2 | 5.752 | 1 |
| 10288 | 74 | HZ2 | 6.156 | 1 |
| 11036 | 41 | HZ2 | 5.473 | 1 |
| 11086 | 30 | HZ2 | 4.899 | 1 |
| 11088 | 40 | HZ2 | 5.854 | 1 |
| 11092 | 56 | HZ2 | 6.175 | 1 |
| 11094 | 57 | HZ2 | 5.980 | 1 |
| 11095 | 57 | HZ2 | 6.043 | 1 |
| 11110 | 28 | HZ2 | 6.324 | 1 |
| 11125 | 45 | HZ2 | 6.291 | 1 |
| 11292 | 38 | HZ2 | 6.267 | 1 |
| 11497 | 65 | HZ2 | 6.212 | 1 |
| 11500 | 22 | HZ2 | 6.123 | 1 |
| 11516 | 123 | HZ2 | 5.817 | 1 |
| 11590 | 84 | HZ2 | 6.154 | 1 |
| 11591 | 82 | HZ2 | 6.075 | 1 |
| 15098 | 71 | HZ2 | 6.342 | 1 |
| 15189 | 61 | HZ2 | 5.638 | 1 |
| 15335 | 79 | HZ2 | 5.937 | 1 |
| 15507 | 86 | HZ2 | 6.337 | 1 |
| 15581 | 132 | HZ2 | 6.255 | 1 |
| 15736 | 43 | HZ2 | 6.154 | 1 |
| 15835 | 149 | HZ2 | 5.941 | 1 |
| 15988 | 79 | HZ2 | 6.100 | 4 |
| 16030 | 76 | HZ2 | 6.33 | 1 |
| 16231 | 77 | HZ2 | 6.182 | 4 |
| 16233 | 48 | HZ2 | 6.105 | 4 |
| 16385 | 69 | HZ2 | 6.328 | 1 |
| 16406 | 70 | HZ2 | 6.005 | 1 |
| 16466 | 66 | HZ2 | 6.003 | 1 |
| 16491 | 70 | HZ2 | 5.974 | 1 |
| 16692 | 9 | HZ2 | 4.953 | 1 |
| 16715 | 254 | HZ2 | 6.335 | 1 |
| 16721 | 58 | HZ2 | 5.999 | 1 |
| 16738 | 254 | HZ2 | 6.335 | 1 |
| 16857 | 29 | HZ2 | 5.870 | 1 |
| 16881 | 108 | HZ2 | 6.13 | 1 |
| 16926 | 57 | HZ2 | 6.04 | |
| 17039 | 69 | HZ2 | 5.97 | 1 |
| 17092 | 72 | HZ2 | 6.345 | 1 |
| 17139 | 15 | HZ2 | 5.512 | 1 |
| 17151 | 70 | HZ2 | 6.088 | 1 |
| 17246 | 65 | HZ2 | 6.170 | 1 |
| 17279 | 26 | HZ2 | 6.325 | 1 |
| 17481 | 36 | HZ2 | 5.796 | 1 |
| 17597 | 205 | HZ2 | 6.02 | 1 |
| 17597 | 35 | HZ2 | 6.10 | 1 |
| 17597 | 77 | HZ2 | 6.20 | 1 |
| 17670 | 40 | HZ2 | 5.019 | 1 |
| 17670 | 41 | HZ2 | 4.128 | 1 |
| 17683 | 39 | HZ2 | 5.618 | 1 |
| 17713 | 70 | HZ2 | 5.795 | 1 |
| 17723 | 21 | HZ2 | 5.808 | 1 |
| 17736 | 44 | HZ2 | 5.83 | 1 |
| 17736 | 65 | HZ2 | 5.85 | 1 |
| 17818 | 83 | HZ2 | 6.16 | 1 |
| 17890 | 125 | HZ2 | 4.766 | 1 |
| 17902 | 125 | HZ2 | 4.655 | 1 |
| 17988 | 49 | HZ2 | 5.577 | 1 |
| 18278 | 60 | HZ2 | 5.998 | 1 |
| 18375 | 32 | HZ2 | 5.95 | 1 |
| 18388 | 54 | HZ2 | 6.193 | 1 |
| 18415 | 88 | HZ2 | 6.206 | 1 |
| 18547 | 139 | HZ2 | 5.96 | 1 |
| 18818 | 85 | HZ2 | 5.87 | 1 |
| 18840 | 40 | HZ2 | 6.3324 | 1 |
| 18853 | 172 | HZ2 | 5.565 | 1 |
| 18853 | 222 | HZ2 | 6.036 | 1 |
| 18919 | 27 | HZ2 | 6.342 | |
| 18951 | 36 | HZ2 | 4.599 | 1 |
| 18980 | 37 | HZ2 | 6.045 | 1 |
| 19108 | 176 | HZ2 | 6.165 | |
| 19180 | 13 | HZ2 | 6.093 | 1 |
| 19183 | 6 | HZ2 | 5.732 | 1 |
| 19240 | 59 | HZ2 | 6.114 | 1 |
| 19241 | 59 | HZ2 | 6.114 | 1 |
| 19562 | 50 | HZ2 | 6.1610 | 1 |
| 19608 | 143 | HZ2 | 5.62 | 1 |
| 19608 | 53 | HZ2 | 5.633 | 1 |
| 19627 | 91 | HZ2 | 6.207 | 1 |
| 19771 | 36 | HZ2 | 6.288 | 1 |
| 19842 | 163 | HZ2 | 5.605 | 1 |
| 25188 | 104 | HZ2 | 6.278 | 1 |
| 25439 | 97 | HZ2 | 6.281 | 1 |
| 25513 | 143 | HZ2 | 5.620 | 1 |
| 25513 | 53 | HZ2 | 5.646 | 1 |
| 25564 | 30 | HZ2 | 5.993 | 1 |
| 25798 | 117 | HZ2 | 5.322 | 1 |
| 25799 | 117 | HZ2 | 5.439 | 1 |
| 25857 | 3 | HZ2 | 4.8923 | 1 |
| 25985 | 174 | HZ2 | 6.309 | 1 |
| 26047 | 63 | HZ2 | 6.207 | 1 |
| 27610 | 23 | HZ2 | 5.990 | 1 |
| 27694 | 59 | HZ2 | 6.261 | 4 |
| 28037 | 66 | HZ2 | 5.777 | 1 |
| 28038 | 63 | HZ2 | 5.759 | 1 |
| 30150 | 140 | HZ2 | 6.008 | 1 |
| 31044 | 196 | HZ2 | 6.154 | 1 |
| 31044 | 39 | HZ2 | 6.081 | 1 |
| 31044 | 78 | HZ2 | 6.314 | 1 |
| 31046 | 196 | HZ2 | 6.191 | |
| 31046 | 39 | HZ2 | 5.912 | |
| 34048 | 16 | HZ2 | 6.33 | 1 |
| 34202 | 45 | HZ2 | 5.542 | |
| 34227 | 21 | HZ2 | 5.647 | 1 |
| 34229 | 21 | HZ2 | 5.647 | 1 |
| 34610 | 27 | HZ2 | 6.019 | |
| 34731 | 70 | HZ2 | 5.230 | |
| 34946 | 17 | HZ2 | 6.253 | 1 |
| 34969 | 48 | HZ2 | 6.083 | |
| 36310 | 93 | HZ2 | 6.223 | 1 |
| 36338 | 109 | HZ2 | 6.234 | 1 |
| 50269 | 39 | HZ2 | 6.17 | 1 |
| 51662 | 43 | HZ2 | 6.083 | 1 |
| 52595 | 63 | HZ2 | 6.309 | 1 |
| 53093 | 110 | HZ2 | 6.179 | 1 |