Average chemical shift: 112.749
Standard deviation: 2.238
Low-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
---|---|---|---|---|
1673 | 147 | ND2 | 126.6 | 1 |
4050 | 22 | ND2 | 120.22 | 1 |
4051 | 22 | ND2 | 119.93 | 1 |
4052 | 100 | ND2 | 121.81 | |
4053 | 100 | ND2 | 121.31 | |
4078 | 79 | ND2 | 122.8 | 1 |
4141 | 59 | ND2 | 124.2 | 1 |
4188 | 85 | ND2 | 123.10 | 1 |
4188 | 95 | ND2 | 120.86 | 1 |
4215 | 37 | ND2 | 120.780 | 1 |
4242 | 119 | ND2 | 121.00 | 1 |
4242 | 125 | ND2 | 125.6 | 1 |
4242 | 49 | ND2 | 120.5 | 1 |
4242 | 85 | ND2 | 120.6 | 1 |
4242 | 86 | ND2 | 123.7 | 1 |
4335 | 21 | ND2 | 119.7 | 1 |
4391 | 66 | ND2 | 123.84 | 1 |
4391 | 7 | ND2 | 124.77 | 1 |
4560 | 34 | ND2 | 122.05 | 1 |
4577 | 86 | ND2 | 120.22 | 1 |
4681 | 6 | ND2 | 123.1 | |
4681 | 6 | ND2 | 123.4 | |
4682 | 6 | ND2 | 122.9 | |
4682 | 6 | ND2 | 123.4 | |
4781 | 55 | ND2 | 123.718 | 1 |
4790 | 20 | ND2 | 120.05 | 1 |
4830 | 126 | ND2 | 133.59 | 1 |
4839 | 120 | ND2 | 120.07 | 1 |
4919 | 108 | ND2 | 119.900 | 1 |
4925 | 51 | ND2 | 124.1 | 1 |
4938 | 92 | ND2 | 121.7 | 1 |
4964 | 77 | ND2 | 120.3 | 1 |
5011 | 147 | ND2 | 124.4 | 1 |
5041 | 64 | ND2 | 120.627 | 1 |
5048 | 6 | ND2 | 121.8 | 1 |
5145 | 95 | ND2 | 121.7 | 1 |
5239 | 21 | ND2 | 120.6 | 1 |
5240 | 60 | ND2 | 123.1 | 1 |
5241 | 60 | ND2 | 123.1 | 1 |
5319 | 6 | ND2 | 122.0 | 1 |
5333 | 54 | ND2 | 122.0 | 1 |
5379 | 11 | ND2 | 122.9 | |
5524 | 44 | ND2 | 119.700 | 1 |
5578 | 5 | ND2 | 125.6 | |
5579 | 5 | ND2 | 125.2 | |
5600 | 22 | ND2 | 120.09 | 1 |
5601 | 21 | ND2 | 119.63 | 1 |
5601 | 22 | ND2 | 119.63 | 1 |
5631 | 36 | ND2 | 120.29 | 1 |
5633 | 48 | ND2 | 121.202 | |
5651 | 50 | ND2 | 120.237 | 1 |
5653 | 48 | ND2 | 121.202 | |
5679 | 43 | ND2 | 120.3 | 1 |
5706 | 137 | ND2 | 120.708 | 1 |
5959 | 70 | ND2 | 124.5 | 1 |
5976 | 43 | ND2 | 119.747 | 1 |
5981 | 13 | ND2 | 119.644 | 1 |
6266 | 37 | ND2 | 119.776 | |
6310 | 102 | ND2 | 120.147 | |
6321 | 13 | ND2 | 120.281 | 1 |
6699 | 56 | ND2 | 120.953 | 1 |
6739 | 83 | ND2 | 120.500 | 1 |
6748 | 62 | ND2 | 121.9000 | |
6766 | 75 | ND2 | 121.832 | 1 |
6787 | 133 | ND2 | 131.29 | 1 |
6906 | 52 | ND2 | 123.2 | 9 |
6936 | 13 | ND2 | 121.468 | 1 |
6972 | 115 | ND2 | 120.5 | 1 |
7000 | 47 | ND2 | 119.9 | 1 |
7108 | 60 | ND2 | 121.630 | 1 |
7109 | 60 | ND2 | 121.650 | 1 |
7113 | 14 | ND2 | 120.248 | 1 |
7113 | 42 | ND2 | 120.553 | 1 |
7184 | 37 | ND2 | 121.250 | 1 |
7420 | 18 | ND2 | 119.858 | 1 |
10022 | 2 | ND2 | 119.49 | 1 |
10094 | 43 | ND2 | 119.736 | 1 |
10214 | 35 | ND2 | 119.673 | 1 |
10322 | 30 | ND2 | 122.788 | 1 |
11083 | 81 | ND2 | 119.600 | 1 |
11086 | 125 | ND2 | 119.930 | 1 |
11102 | 90 | ND2 | 122.451 | 1 |
11116 | 72 | ND2 | 121.686 | 1 |
11159 | 36 | ND2 | 121.911 | 1 |
11286 | 27 | ND2 | 120.898 | 1 |
11408 | 27 | ND2 | 119.479 | 1 |
11451 | 26 | ND2 | 121.633 | 1 |
11463 | 83 | ND2 | 121.316 | 1 |
11472 | 77 | ND2 | 120.151 | 1 |
11561 | 115 | ND2 | 120.01 | 1 |
11562 | 115 | ND2 | 120.113 | 1 |
15028 | 60 | ND2 | 121.461 | 1 |
15079 | 38 | ND2 | 120.061 | 1 |
15133 | 31 | ND2 | 123.1 | 1 |
15208 | 62 | ND2 | 120.371 | 1 |
15209 | 29 | ND2 | 119.80 | 1 |
15230 | 129 | ND2 | 120.390 | 1 |
15289 | 12 | ND2 | 119.636 | 1 |
15447 | 27 | ND2 | 133.86 | 1 |
15525 | 131 | ND2 | 120.999 | 1 |
15553 | 70 | ND2 | 130.61 | 1 |
15660 | 45 | ND2 | 120.6 | 1 |
15737 | 42 | ND2 | 130.750 | 1 |
15800 | 40 | ND2 | 123.12 | 1 |
15803 | 131 | ND2 | 120.999 | 1 |
15922 | 102 | ND2 | 119.543 | 1 |
15926 | 41 | ND2 | 119.710 | 1 |
15950 | 122 | ND2 | 120.943 | 1 |
16006 | 38 | ND2 | 119.577 | 1 |
16057 | 43 | ND2 | 120.000 | 1 |
16057 | 64 | ND2 | 120.240 | 1 |
16107 | 107 | ND2 | 119.763 | 1 |
16164 | 72 | ND2 | 120.093 | 1 |
16385 | 97 | ND2 | 121.957 | 1 |
16585 | 100 | ND2 | 121.03 | 1 |
16592 | 13 | ND2 | 144.521 | 1 |
16592 | 21 | ND2 | 143.449 | 1 |
16592 | 40 | ND2 | 145.934 | 1 |
16592 | 49 | ND2 | 141.238 | 1 |
16667 | 40 | ND2 | 121.342 | 1 |
16711 | 45 | ND2 | 122.611 | 1 |
16773 | 14 | ND2 | 131.642 | 1 |
16873 | 35 | ND2 | 120.840 | 1 |
16994 | 15 | ND2 | 119.6 | 1 |
16994 | 43 | ND2 | 122.9 | 1 |
17039 | 98 | ND2 | 120.0 | 1 |
17112 | 54 | ND2 | 120.6972 | 1 |
17128 | 51 | ND2 | 119.795 | 1 |
17232 | 47 | ND2 | 119.664 | 1 |
17238 | 36 | ND2 | 120.359 | 1 |
17239 | 36 | ND2 | 119.927 | 1 |
17246 | 70 | ND2 | 120.278 | 1 |
17267 | 60 | ND2 | 122.459 | 1 |
17299 | 67 | ND2 | 119.648 | 1 |
17300 | 67 | ND2 | 119.662 | 1 |
17370 | 105 | ND2 | 123.8 | 1 |
17389 | 165 | ND2 | 119.781 | 1 |
17452 | 53 | ND2 | 123.6229 | 1 |
17466 | 34 | ND2 | 121.806 | 1 |
17509 | 72 | ND2 | 122.789 | 1 |
17610 | 122 | ND2 | 120.818 | 1 |
17636 | 38 | ND2 | 119.869 | 1 |
17637 | 16 | ND2 | 119.879 | 1 |
17686 | 31 | ND2 | 122.17 | 1 |
17772 | 34 | ND2 | 121.806 | 1 |
17942 | 29 | ND2 | 119.641 | 1 |
17953 | 188 | ND2 | 121.419 | 1 |
18004 | 9 | ND2 | 119.776 | 1 |
18013 | 100 | ND2 | 120.555 | 1 |
18015 | 53 | ND2 | 123.600 | 1 |
18055 | 53 | ND2 | 130.329 | 1 |
18057 | 53 | ND2 | 130.242 | 1 |
18059 | 53 | ND2 | 132.127 | 1 |
18062 | 53 | ND2 | 130.284 | 1 |
18065 | 53 | ND2 | 130.299 | 1 |
18066 | 53 | ND2 | 130.364 | 1 |
18069 | 53 | ND2 | 130.627 | 1 |
18070 | 53 | ND2 | 132.900 | 1 |
18071 | 53 | ND2 | 130.473 | 1 |
18072 | 53 | ND2 | 130.269 | 1 |
18074 | 53 | ND2 | 134.349 | 1 |
18075 | 53 | ND2 | 134.500 | 1 |
18077 | 53 | ND2 | 131.738 | 1 |
18078 | 53 | ND2 | 131.294 | 1 |
18134 | 51 | ND2 | 119.6 | 1 |
18191 | 14 | ND2 | 119.6020 | 1 |
18328 | 30 | ND2 | 120.0 | 1 |
18349 | 37 | ND2 | 119.631 | 1 |
18406 | 32 | ND2 | 120.390 | 1 |
18475 | 33 | ND2 | 121.402 | 1 |
18607 | 12 | ND2 | 131.113 | 1 |
18607 | 46 | ND2 | 123.897 | 1 |
18607 | 53 | ND2 | 129.874 | 1 |
18628 | 30 | ND2 | 119.888 | 1 |
18788 | 100 | ND2 | 120.8 | 1 |
18824 | 63 | ND2 | 120.323 | 1 |
18825 | 63 | ND2 | 120.450 | 1 |
18899 | 87 | ND2 | 120.843 | 1 |
18959 | 22 | ND2 | 124.607 | |
19009 | 27 | ND2 | 120.7 | 1 |
19078 | 154 | ND2 | 121.417 | 1 |
19256 | 135 | ND2 | 120.45072 | |
19256 | 138 | ND2 | 121.36364 | |
19421 | 138 | ND2 | 120.651 | 1 |
19422 | 138 | ND2 | 120.453 | 1 |
19511 | 57 | ND2 | 123.741 | 1 |
19551 | 123 | ND2 | 120.073 | 1 |
19562 | 24 | ND2 | 120.2830 | 1 |
19815 | 24 | ND2 | 120.654 | |
19852 | 114 | ND2 | 1114.29 | 1 |
19852 | 143 | ND2 | 129.293 | 1 |
19852 | 154 | ND2 | 125.213 | 1 |
19852 | 156 | ND2 | 119.992 | 1 |
19854 | 114 | ND2 | 1114.29 | 1 |
19854 | 143 | ND2 | 129.293 | 1 |
19854 | 154 | ND2 | 125.213 | 1 |
19854 | 156 | ND2 | 120.392 | 1 |
19984 | 159 | ND2 | 121.9 | 1 |
19984 | 22 | ND2 | 120.3 | 1 |
25040 | 121 | ND2 | 119.764 | 1 |
25104 | 102 | ND2 | 119.930 | |
25117 | 156 | ND2 | 120.601 | 1 |
25117 | 162 | ND2 | 120.115 | 1 |
25153 | 148 | ND2 | 125.045 | |
25155 | 148 | ND2 | 124.500 | |
25382 | 15 | ND2 | 125.310 | |
25382 | 42 | ND2 | 123.869 | |
25442 | 36 | ND2 | 412.795 | |
25454 | 61 | ND2 | 120.545 | 1 |
25554 | 114 | ND2 | 1114.29 | 1 |
25554 | 143 | ND2 | 129.293 | 1 |
25554 | 154 | ND2 | 125.213 | 1 |
25554 | 156 | ND2 | 119.992 | 1 |
25979 | 106 | ND2 | 120.029 | 1 |
25995 | 125 | ND2 | 119.871 | 1 |
26854 | 92 | ND2 | 127.280 | 1 |
27048 | 21 | ND2 | 119.662 | 1 |
27265 | 102 | ND2 | 119.948 | 1 |
27453 | 92 | ND2 | 120.108 | 1 |
27458 | 73 | ND2 | 121.162 | 1 |
27643 | 32 | ND2 | 119.846 | |
28042 | 129 | ND2 | 120.029 | |
30005 | 24 | ND2 | 120.654 | |
30027 | 17 | ND2 | 123.466 | 1 |
30028 | 17 | ND2 | 122.832 | 1 |
30029 | 17 | ND2 | 122.423 | 1 |
30334 | 71 | ND2 | 120.822 | |
30537 | 90 | ND2 | 121.0 | 1 |
30556 | 28 | ND2 | 120.233 | 1 |
30572 | 28 | ND2 | 119.8 | 1 |
30977 | 102 | ND2 | 119.969 | 1 |
34149 | 28 | ND2 | 119.475 | 1 |
34184 | 74 | ND2 | 122.37 | 1 |
34365 | 164 | ND2 | 121.709 | |
34468 | 22 | ND2 | 119.544 | 1 |
34572 | 38 | ND2 | 120.375 | 1 |
34746 | 12 | ND2 | 119.910 | 1 |
34765 | 137 | ND2 | 119.555 | 1 |
34803 | 13 | ND2 | 120.650 | |
34803 | 53 | ND2 | 119.532 | |
36142 | 31 | ND2 | 121.779 | |
36332 | 88 | ND2 | 119.823 | 1 |
50335 | 39 | ND2 | 119.75 | 1 |
50888 | 86 | ND2 | 122.606 | 1 |
51200 | 69 | ND2 | 119.7 | 1 |
51471 | 135 | ND2 | 122.489 | 1 |
51960 | 72 | ND2 | 120.420 |
High-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
---|---|---|---|---|
1658 | 44 | ND2 | 105.7 | 1 |
4019 | 31 | ND2 | 105.2 | 1 |
4070 | 86 | ND2 | 105.5 | 1 |
4091 | 112 | ND2 | 104.7 | 1 |
4127 | 65 | ND2 | 105.8 | 1 |
4143 | 55 | ND2 | 104.972 | 1 |
4224 | 110 | ND2 | 65.13 | 1 |
4224 | 12 | ND2 | 65.31 | 1 |
4224 | 29 | ND2 | 66.44 | 1 |
4224 | 62 | ND2 | 67.16 | 1 |
4276 | 56 | ND2 | 104.56 | 1 |
4301 | 54 | ND2 | 104.0 | 1 |
4302 | 12 | ND2 | 106.0 | 1 |
4712 | 106 | ND2 | 105.65 | 1 |
4726 | 22 | ND2 | 40.60 | |
4831 | 74 | ND2 | 105.24 | |
4833 | 40 | ND2 | 105.18 | 1 |
4942 | 71 | ND2 | 104.46 | 1 |
5048 | 14 | ND2 | 105.3 | 1 |
5159 | 61 | ND2 | 104.7 | 1 |
5319 | 14 | ND2 | 105.6 | 1 |
5505 | 33 | ND2 | 105.5 | 1 |
5576 | 47 | ND2 | 105.976 | |
5961 | 55 | ND2 | 105.52 | 1 |
6075 | 13 | ND2 | 106.02 | 1 |
6241 | 21 | ND2 | 104.781 | 1 |
6301 | 17 | ND2 | 102.326 | 1 |
6395 | 22 | ND2 | 105.9 | 1 |
6546 | 54 | ND2 | 104.6 | 1 |
6890 | 22 | ND2 | 105.37 | 1 |
6980 | 31 | ND2 | 105.370 | 1 |
7104 | 16 | ND2 | 105.26 | 1 |
7120 | 70 | ND2 | 104.795 | 1 |
7151 | 75 | ND2 | 105.1 | 1 |
7178 | 88 | ND2 | 32.2 | 1 |
7228 | 84 | ND2 | 102.6 | 1 |
7250 | 79 | ND2 | 104.500 | 1 |
10107 | 67 | ND2 | 105.649 | 1 |
11086 | 81 | ND2 | 105.380 | 1 |
11100 | 26 | ND2 | 105.905 | 1 |
11102 | 36 | ND2 | 103.721 | 1 |
11122 | 70 | ND2 | 105.930 | 1 |
11129 | 73 | ND2 | 106.013 | 1 |
11133 | 73 | ND2 | 105.904 | 1 |
11146 | 127 | ND2 | 106.013 | 1 |
11271 | 27 | ND2 | 105.114 | 1 |
11546 | 151 | ND2 | 105.900 | 1 |
11570 | 68 | ND2 | 105.8750 | 1 |
11605 | 52 | ND2 | 105.859 | 1 |
15028 | 13 | ND2 | 105.202 | 1 |
15060 | 84 | ND2 | 105.352 | 1 |
15256 | 53 | ND2 | 105.345 | 1 |
15485 | 31 | ND2 | 104.501 | |
15485 | 49 | ND2 | 102.902 | |
15581 | 89 | ND2 | 105.872 | 1 |
15723 | 101 | ND2 | 105.412 | 1 |
15814 | 88 | ND2 | 105.447 | 1 |
15955 | 224 | ND2 | 99.4 | 1 |
16037 | 34 | ND2 | 103.316 | 1 |
16039 | 56 | ND2 | 104.871 | 1 |
16107 | 81 | ND2 | 105.906 | 1 |
16267 | 53 | ND2 | 103.982 | 1 |
16311 | 59 | ND2 | 104.198 | 1 |
16320 | 83 | ND2 | 102.6 | 1 |
16362 | 37 | ND2 | 106.016 | 1 |
16466 | 57 | ND2 | 104.290 | 1 |
16592 | 47 | ND2 | 81.254 | 1 |
16689 | 56 | ND2 | 105.425 | 1 |
16811 | 68 | ND2 | 105.4900 | 1 |
17018 | 13 | ND2 | 103.394 | 1 |
17019 | 13 | ND2 | 103.295 | 1 |
17036 | 14 | ND2 | 21.038 | 1 |
17110 | 69 | ND2 | 104.677 | 1 |
17207 | 81 | ND2 | 105.307 | 1 |
17232 | 71 | ND2 | 104.255 | 1 |
17258 | 71 | ND2 | 105.938 | 1 |
17260 | 166 | ND2 | 103.040 | 1 |
17267 | 15 | ND2 | 103.904 | 1 |
17420 | 77 | ND2 | 105.700 | 1 |
17456 | 40 | ND2 | 105.500 | 1 |
17530 | 55 | ND2 | 105.7 | 1 |
17636 | 94 | ND2 | 104.453 | 1 |
17637 | 72 | ND2 | 104.953 | 1 |
17809 | 21 | ND2 | 105.8 | 1 |
17890 | 28 | ND2 | 105.530 | 1 |
17899 | 104 | ND2 | 105.958 | 1 |
17902 | 28 | ND2 | 105.461 | 1 |
17911 | 17 | ND2 | 105.688 | 1 |
18154 | 138 | ND2 | 105.650 | 1 |
18253 | 76 | ND2 | 106.0 | 1 |
18320 | 166 | ND2 | 105.601 | 1 |
18386 | 157 | ND2 | 105.060 | 1 |
18394 | 124 | ND2 | 102.732 | 1 |
18424 | 31 | ND2 | 106.0 | 1 |
18480 | 70 | ND2 | 105.080 | 1 |
18508 | 38 | ND2 | 104.601 | 1 |
18574 | 166 | ND2 | 104.94 | 1 |
18575 | 166 | ND2 | 105.17 | 1 |
18715 | 79 | ND2 | 104.540 | 1 |
18716 | 79 | ND2 | 104.540 | 1 |
18726 | 109 | ND2 | 105.594483 | 1 |
18733 | 44 | ND2 | 102.590 | 1 |
18920 | 42 | ND2 | 103.504 | 1 |
19151 | 138 | ND2 | 105.650 | |
19214 | 107 | ND2 | 105.800 | 1 |
19355 | 8 | ND2 | 104.743 | |
19758 | 44 | ND2 | 106.024 | 1 |
19824 | 89 | ND2 | 105.229 | 1 |
19854 | 62 | ND2 | 98.293 | 1 |
19921 | 109 | ND2 | 104.94 | 1 |
25135 | 114 | ND2 | 106.000 | 1 |
25306 | 75 | ND2 | 105.659 | 1 |
25306 | 8 | ND2 | 105.455 | 1 |
25324 | 7 | ND2 | 105.455 | 1 |
25324 | 74 | ND2 | 105.659 | 1 |
25638 | 74 | ND2 | 105.800 | 1 |
25656 | 16 | ND2 | 105.118 | |
25834 | 54 | ND2 | 105.781 | 1 |
25899 | 53 | ND2 | 105.0 | 1 |
26805 | 127 | ND2 | 101.722 | |
26854 | 25 | ND2 | 105.070 | 1 |
27151 | 172 | ND2 | 105.433 | 1 |
30010 | 75 | ND2 | 104.261 | |
30322 | 169 | ND2 | 103.466 | 1 |
30458 | 102 | ND2 | 105.879 | 1 |
30575 | 21 | ND2 | 105.904 | |
30605 | 59 | ND2 | 103.87 | 1 |
30606 | 59 | ND2 | 104.20 | 1 |
30903 | 1 | ND2 | 58.205 | 1 |
34140 | 22 | ND2 | 103.439 | 1 |
34308 | 67 | ND2 | 105.313 | 1 |
34526 | 105 | ND2 | 105.880 | |
34528 | 105 | ND2 | 105.936 | |
34531 | 17 | ND2 | 105.946 | 1 |
34603 | 105 | ND2 | 105.984 | |
34618 | 35 | ND2 | 105.245 | 1 |
34638 | 46 | ND2 | 104.727 | |
34717 | 161 | ND2 | 104.238 | 1 |
34866 | 5 | ND2 | 105.667 | |
36021 | 20 | ND2 | 105.901 | 1 |
36064 | 21 | ND2 | 105.414 | 1 |
50334 | 105 | ND2 | 105.345 | 1 |
50612 | 127 | ND2 | 85.9059 | 1 |
50612 | 141 | ND2 | 85.9059 | 1 |
50612 | 147 | ND2 | 85.6476 | 1 |
50612 | 70 | ND2 | 83.7000 | 1 |
50612 | 81 | ND2 | 80.1300 | 1 |
51832 | 52 | ND2 | 106.030 | 1 |