Average chemical shift: 7.034
Standard deviation: 0.431
Low-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
---|---|---|---|---|
196 | 2 | HE22 | 8.82 | 1 |
329 | 50 | HE22 | 8.83 | 2 |
1394 | 50 | HE22 | 8.83 | 2 |
1673 | 91 | HE22 | 9.4 | 2 |
4101 | 71 | HE22 | 8.61 | 2 |
4117 | 54 | HE22 | 9.02 | 2 |
4202 | 133 | HE22 | 8.48 | 2 |
4202 | 22 | HE22 | 8.39 | 2 |
4206 | 89 | HE22 | 8.3500 | 2 |
4324 | 55 | HE22 | 8.72 | 2 |
4325 | 114 | HE22 | 8.69 | 4 |
4325 | 56 | HE22 | 8.69 | 4 |
4435 | 45 | HE22 | 8.46 | 2 |
4775 | 93 | HE22 | 8.79 | 1 |
4881 | 99 | HE22 | 10.02 | 2 |
4946 | 35 | HE22 | 9.37 | 2 |
4947 | 35 | HE22 | 9.37 | 2 |
4985 | 67 | HE22 | 8.34 | 2 |
5299 | 93 | HE22 | 9.180 | 2 |
5355 | 146 | HE22 | 9.090 | 1 |
5363 | 36 | HE22 | 8.590 | 2 |
5396 | 65 | HE22 | 8.383 | 2 |
5397 | 55 | HE22 | 8.50 | 2 |
5397 | 55 | HE22 | 8.65 | 2 |
5467 | 19 | HE22 | 113.695 | 2 |
5554 | 94 | HE22 | 8.93 | 2 |
5597 | 47 | HE22 | 8.55 | 1 |
5619 | 21 | HE22 | 8.37 | 2 |
5679 | 127 | HE22 | 9.54 | 2 |
5679 | 44 | HE22 | 9.14 | 2 |
5679 | 84 | HE22 | 9.79 | 2 |
5742 | 60 | HE22 | 8.945 | |
5804 | 58 | HE22 | 8.33 | 2 |
5878 | 115 | HE22 | 8.350 | 5 |
5959 | 55 | HE22 | 8.53 | 2 |
5969 | 36 | HE22 | 9.55 | 2 |
6256 | 126 | HE22 | 8.57 | 2 |
6297 | 15 | HE22 | 8.431 | 2 |
6366 | 66 | HE22 | 8.88 | 2 |
6518 | 98 | HE22 | 8.61 | 2 |
6805 | 26 | HE22 | 8.34 | 2 |
6805 | 55 | HE22 | 8.68 | 2 |
6806 | 26 | HE22 | 8.35 | 2 |
6806 | 55 | HE22 | 8.54 | 2 |
6821 | 22 | HE22 | 8.353 | |
7032 | 24 | HE22 | 8.86 | 2 |
7034 | 95 | HE22 | 8.839 | |
7187 | 67 | HE22 | 8.582 | 2 |
7204 | 101 | HE22 | 8.374 | 2 |
7219 | 161 | HE22 | 8.551 | 2 |
7354 | 54 | HE22 | 8.358 | 2 |
10004 | 21 | HE22 | 8.375 | 2 |
10144 | 188 | HE22 | 8.730 | 2 |
10145 | 198 | HE22 | 8.793 | 2 |
10149 | 70 | HE22 | 8.659 | 2 |
11065 | 72 | HE22 | 9.125 | 2 |
11091 | 72 | HE22 | 8.332 | 2 |
11093 | 30 | HE22 | 8.501 | 2 |
11099 | 70 | HE22 | 8.487 | 2 |
11143 | 70 | HE22 | 8.689 | 2 |
11146 | 93 | HE22 | 8.422 | 2 |
11157 | 30 | HE22 | 8.375 | 2 |
11192 | 25 | HE22 | 8.346 | 2 |
11197 | 84 | HE22 | 8.369 | 2 |
11224 | 52 | HE22 | 8.401 | 2 |
11333 | 68 | HE22 | 8.701 | 2 |
11431 | 50 | HE22 | 26.58 | |
11544 | 58 | HE22 | 8.450 | 1 |
15020 | 111 | HE22 | 8.822 | 2 |
15327 | 10 | HE22 | 8.53 | 2 |
15607 | 254 | HE22 | 9.572 | 2 |
15941 | 152 | HE22 | 21.366 | 2 |
16675 | 63 | HE22 | 8.578 | 2 |
16689 | 140 | HE22 | 9.139 | 2 |
17144 | 71 | HE22 | 8.33 | 2 |
17161 | 62 | HE22 | 8.48 | 2 |
17233 | 67 | HE22 | 8.592 | 2 |
17311 | 65 | HE22 | 8.468 | 2 |
17323 | 150 | HE22 | 8.568 | 1 |
17389 | 30 | HE22 | 8.753 | 2 |
17946 | 104 | HE22 | 9.27 | 2 |
17952 | 26 | HE22 | 10.353 | 2 |
17953 | 114 | HE22 | 9.069 | 2 |
18001 | 86 | HE22 | 8.84 | 1 |
18193 | 40 | HE22 | 8.429 | 2 |
18193 | 40 | HE22 | 8.536 | 2 |
18193 | 40 | HE22 | 8.659 | 2 |
18243 | 79 | HE22 | 8.728 | 2 |
18394 | 73 | HE22 | 9.706 | 1 |
18424 | 46 | HE22 | 9.71 | 2 |
18526 | 145 | HE22 | 8.517 | 2 |
18828 | 97 | HE22 | 8.627 | 1 |
19219 | 343 | HE22 | 8.396 | 2 |
19453 | 21 | HE22 | 8.700 | |
19579 | 83 | HE22 | 8.558 | 1 |
19626 | 42 | HE22 | 008.976 | 1 |
19687 | 62 | HE22 | 8.447 | 1 |
19854 | 84 | HE22 | 8.481 | 1 |
19945 | 91 | HE22 | 9.594 | |
25102 | 22 | HE22 | 8.883 | 2 |
25117 | 100 | HE22 | 8.470 | 2 |
25117 | 176 | HE22 | 8.715 | 2 |
25155 | 90 | HE22 | 8.948 | |
25188 | 135 | HE22 | 8.834 | 2 |
25243 | 60 | HE22 | 8.508 | |
25347 | 112 | HE22 | 8.427 | 2 |
25436 | 55 | HE22 | 8.405 | 1 |
25469 | 55 | HE22 | 8.403 | 1 |
25565 | 67 | HE22 | 8.332 | |
25627 | 32 | HE22 | 9.071 | 1 |
25679 | 34 | HE22 | 8.876 | |
25839 | 64 | HE22 | 8.711 | 1 |
25917 | 3 | HE22 | 8.788 | |
27608 | 142 | HE22 | 8.445 | |
27608 | 149 | HE22 | 8.464 | |
27608 | 86 | HE22 | 8.349 | |
27643 | 33 | HE22 | 8.393 | |
28058 | 115 | HE22 | 8.918 | 2 |
28074 | 59 | HE22 | 8.983 | 1 |
30801 | 86 | HE22 | 8.6093 | 2 |
30980 | 55 | HE22 | 8.717 | 2 |
30981 | 55 | HE22 | 8.832 | 2 |
30982 | 55 | HE22 | 8.710 | 2 |
30984 | 55 | HE22 | 8.415 | 2 |
31012 | 26 | HE22 | 8.420 | 2 |
31012 | 55 | HE22 | 8.804 | 2 |
34101 | 91 | HE22 | 8.395 | 2 |
34308 | 103 | HE22 | 8.862 | 1 |
34424 | 118 | HE22 | 8.894 | 2 |
34430 | 55 | HE22 | 9.010 | 2 |
34463 | 14 | HE22 | 8.581 | 1 |
34463 | 9 | HE22 | 8.756 | 1 |
34463 | 98 | HE22 | 8.622 | 1 |
34575 | 99 | HE22 | 8.445 | 1 |
34584 | 12 | HE22 | 8.562 | 1 |
34716 | 71 | HE22 | 8.457 | |
34773 | 70 | HE22 | 8.430 | |
34803 | 119 | HE22 | 8.638 | |
34803 | 123 | HE22 | 8.513 | |
34803 | 153 | HE22 | 8.415 | |
34803 | 163 | HE22 | 8.370 | |
34803 | 95 | HE22 | 8.353 | |
36068 | 37 | HE22 | 8.372 | 2 |
36333 | 13 | HE22 | 8.344 | 2 |
50335 | 20 | HE22 | 8.47 | 2 |
50335 | 42 | HE22 | 8.42 | 2 |
51546 | 31 | HE22 | 8.339 | 2 |
High-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
---|---|---|---|---|
759 | 81 | HE22 | 5.32 | 2 |
968 | 81 | HE22 | 5.14 | 2 |
970 | 81 | HE22 | 5.1 | 2 |
971 | 81 | HE22 | 5.08 | 2 |
4229 | 31 | HE22 | 5.522 | 2 |
4231 | 31 | HE22 | 5.522 | |
4291 | 16 | HE22 | 4.939 | 1 |
4313 | 58 | HE22 | 5.18 | 2 |
4321 | 128 | HE22 | 5.18 | 1 |
4371 | 8 | HE22 | 4.671 | |
4436 | 40 | HE22 | 3.39 | 2 |
4460 | 42 | HE22 | 5.479 | 2 |
4578 | 81 | HE22 | 5.36 | 2 |
4681 | 109 | HE22 | 5.55 | |
4681 | 109 | HE22 | 5.59 | |
4681 | 109 | HE22 | 5.61 | |
4681 | 129 | HE22 | 5.13 | |
4681 | 39 | HE22 | 5.06 | |
4682 | 109 | HE22 | 4.30 | |
4682 | 129 | HE22 | 5.06 | |
4682 | 129 | HE22 | 5.12 | |
4682 | 39 | HE22 | 4.43 | |
4682 | 39 | HE22 | 4.46 | |
4682 | 5 | HE22 | 5.12 | |
4682 | 5 | HE22 | 5.47 | |
4901 | 19 | HE22 | 5.67 | 1 |
5048 | 109 | HE22 | 3.66 | 2 |
5048 | 129 | HE22 | 5.33 | 1 |
5280 | 62 | HE22 | 5.45 | 2 |
5319 | 109 | HE22 | 3.85 | 1 |
5319 | 129 | HE22 | 4.91 | 1 |
5333 | 16 | HE22 | 2.10 | 2 |
5578 | 108 | HE22 | 3.59 | |
5578 | 128 | HE22 | 4.86 | |
5579 | 108 | HE22 | 3.60 | |
5579 | 128 | HE22 | 4.77 | |
5628 | 135 | HE22 | 5.20 | 2 |
5787 | 7 | HE22 | 4.472 | 1 |
5792 | 57 | HE22 | 5.36 | 2 |
6013 | 111 | HE22 | 5.62 | 2 |
6058 | 23 | HE22 | 5.51 | 2 |
6058 | 5 | HE22 | 5.29 | 2 |
6295 | 139 | HE22 | 5.687 | 1 |
6359 | 17 | HE22 | 4.690 | 1 |
6392 | 35 | HE22 | 5.24 | 1 |
6393 | 35 | HE22 | 5.26 | 1 |
6415 | 58 | HE22 | 5.24 | 2 |
6465 | 26 | HE22 | 5.21 | 2 |
6540 | 62 | HE22 | 5.6650 | 1 |
6782 | 54 | HE22 | 5.47 | 2 |
6873 | 338 | HE22 | 4.961 | 2 |
6950 | 26 | HE22 | 5.696 | 1 |
6976 | 26 | HE22 | 5.602 | 1 |
7103 | 58 | HE22 | 5.26 | 2 |
7156 | 6 | HE22 | 2.23 | |
7221 | 35 | HE22 | 5.219 | 1 |
7221 | 35 | HE22 | 5.222 | 1 |
7221 | 35 | HE22 | 5.245 | 1 |
7221 | 35 | HE22 | 5.260 | 1 |
7221 | 35 | HE22 | 5.265 | 1 |
7221 | 35 | HE22 | 5.296 | 1 |
7221 | 35 | HE22 | 5.305 | 1 |
7221 | 35 | HE22 | 5.312 | 1 |
7221 | 35 | HE22 | 5.314 | 1 |
7221 | 35 | HE22 | 5.315 | 1 |
7221 | 35 | HE22 | 5.320 | 1 |
7222 | 35 | HE22 | 5.211 | 1 |
7222 | 35 | HE22 | 5.216 | 1 |
7222 | 35 | HE22 | 5.222 | 1 |
7222 | 35 | HE22 | 5.224 | 1 |
7222 | 35 | HE22 | 5.229 | 1 |
7222 | 35 | HE22 | 5.234 | 1 |
7222 | 35 | HE22 | 5.238 | 1 |
7222 | 35 | HE22 | 5.242 | 1 |
7222 | 35 | HE22 | 5.255 | 1 |
7222 | 35 | HE22 | 5.264 | 1 |
7222 | 35 | HE22 | 5.266 | 1 |
10073 | 44 | HE22 | 5.683 | 2 |
10144 | 62 | HE22 | 5.356 | 2 |
10145 | 72 | HE22 | 5.418 | 2 |
10193 | 16 | HE22 | 5.641 | 2 |
10194 | 37 | HE22 | 5.520 | 2 |
10264 | 71 | HE22 | 5.317 | 2 |
11086 | 116 | HE22 | 5.197 | 2 |
11143 | 21 | HE22 | 5.656 | 2 |
11258 | 39 | HE22 | 5.157 | 2 |
11265 | 45 | HE22 | 5.680 | 2 |
11274 | 18 | HE22 | 5.384 | 2 |
11468 | 111 | HE22 | 4.450 | 2 |
11468 | 55 | HE22 | 5.370 | 2 |
11500 | 79 | HE22 | 5.327 | 2 |
11525 | 82 | HE22 | 5.649 | 1 |
11549 | 54 | HE22 | 5.423 | 1 |
15052 | 14 | HE22 | 5.65 | 2 |
15053 | 14 | HE22 | 5.65 | 2 |
15054 | 7 | HE22 | 5.66 | 2 |
15335 | 101 | HE22 | 5.652 | 1 |
15348 | 26 | HE22 | 5.738 | 1 |
15423 | 102 | HE22 | 5.52 | 1 |
15603 | 12 | HE22 | 5.539 | 1 |
15611 | 75 | HE22 | 5.336 | 2 |
15611 | 98 | HE22 | 5.555 | 2 |
15685 | 116 | HE22 | 2.365 | 2 |
15765 | 36 | HE22 | 5.039 | 2 |
16040 | 7 | HE22 | 4.402 | 2 |
16084 | 14 | HE22 | 5.21 | 2 |
16163 | 60 | HE22 | 4.212 | 1 |
16306 | 46 | HE22 | 5.7 | 2 |
16411 | 32 | HE22 | 5.591 | 2 |
16412 | 32 | HE22 | 5.542 | 2 |
16652 | 58 | HE22 | 5.72 | 1 |
16689 | 174 | HE22 | 5.147 | 2 |
16692 | 41 | HE22 | 5.139 | 2 |
16772 | 67 | HE22 | 3.719 | 2 |
16842 | 21 | HE22 | 4.556 | 2 |
17044 | 32 | HE22 | 5.542 | 2 |
17160 | 30 | HE22 | 5.56 | 1 |
17277 | 69 | HE22 | 5.624 | 1 |
17305 | 60 | HE22 | 5.511 | 1 |
17496 | 44 | HE22 | 5.696 | 2 |
17636 | 80 | HE22 | 5.617 | 1 |
17637 | 58 | HE22 | 5.634 | 1 |
17729 | 24 | HE22 | 5.737 | 1 |
17735 | 23 | HE22 | 5.118 | 2 |
17900 | 118 | HE22 | 4.928 | 2 |
18095 | 30 | HE22 | 5.721 | 2 |
18211 | 7 | HE22 | 4.360 | 2 |
18364 | 16 | HE22 | 5.706 | 2 |
18387 | 90 | HE22 | 5.354 | 1 |
18411 | 39 | HE22 | 5.626 | 1 |
18423 | 42 | HE22 | 5.47 | 2 |
18445 | 87 | HE22 | 5.322 | 2 |
18579 | 112 | HE22 | 5.430 | 2 |
18596 | 14 | HE22 | 5.27 | 2 |
18621 | 12 | HE22 | 5.68 | 1 |
18787 | 21 | HE22 | 5.082 | 1 |
18811 | 65 | HE22 | 5.640388 | 1 |
18813 | 31 | HE22 | 5.727 | 2 |
18853 | 47 | HE22 | 5.378 | 1 |
18853 | 60 | HE22 | 5.414 | 1 |
18943 | 41 | HE22 | 5.172 | 1 |
18954 | 45 | HE22 | 5.503 | 1 |
18954 | 89 | HE22 | 5.727 | 1 |
19256 | 133 | HE22 | 5.08472 | |
19354 | 70 | HE22 | 5.640 | 2 |
19431 | 28 | HE22 | 5.134 | 2 |
19518 | 10 | HE22 | 5.456 | 1 |
19843 | 99 | HE22 | 5.59 | |
19904 | 43 | HE22 | 2.334 | 1 |
19904 | 48 | HE22 | 2.299 | 1 |
19904 | 62 | HE22 | 2.334 | 1 |
19961 | 56 | HE22 | 2.481 | 1 |
19961 | 87 | HE22 | 2.310 | 1 |
19961 | 89 | HE22 | 2.481 | 1 |
25127 | 105 | HE22 | 5.658 | 1 |
25149 | 53 | HE22 | 5.681 | 2 |
25348 | 112 | HE22 | 5.526 | 2 |
25404 | 16 | HE22 | 4.7600 | 2 |
25560 | 28 | HE22 | 5.358 | 2 |
25663 | 35 | HE22 | 5.303 | |
25839 | 142 | HE22 | 5.584 | 1 |
25839 | 27 | HE22 | 5.365 | 1 |
25874 | 21 | HE22 | 4.496 | 2 |
26659 | 33 | HE22 | 3.644 | 1 |
26660 | 33 | HE22 | 3.610 | 1 |
26750 | 320 | HE22 | 5.48 | 2 |
26840 | 78 | HE22 | 5.635 | 1 |
26854 | 113 | HE22 | 5.116 | 1 |
27240 | 31 | HE22 | 5.596 | |
27363 | 21 | HE22 | 1.025 | 2 |
30177 | 34 | HE22 | 5.3520 | 2 |
30322 | 190 | HE22 | 5.579 | 1 |
30858 | 2 | HE22 | 0.000 | |
34227 | 59 | HE22 | 5.022 | 2 |
34229 | 59 | HE22 | 5.022 | 2 |
34584 | 27 | HE22 | 5.366 | 1 |
34668 | 78 | HE22 | 4.875 | 1 |
36084 | 34 | HE22 | 5.257 | 2 |
50356 | 12 | HE22 | 5.526 | 1 |
50356 | 27 | HE22 | 5.366 | 1 |
51351 | 58 | HE22 | 5.436 | 1 |
51356 | 58 | HE22 | 5.444 | 1 |
51358 | 58 | HE22 | 5.443 | 1 |