Probabilistic Chemical Shift Assignment of the
Sidechain
Currently ADAPT-NMR supports sidechain assignment if
the user provides sidechain peak lists as described in “setting the parameter”. We are planning to include adaptive collection and
assignment of sidechain data in the next release of ADAPT-NMR.
ADAPT-NMR produces a probabilistic assignment for
every atom in each residue. This means that it is possible for some atoms
to have more than one candidate chemical shift assignment. In these
cases, an associated probability is assigned to each candidate assigned to
an atom. The sum of all probabilities always adds to one. See
the sample output shown in the table below.
The probabilities are one column ahead of the assignments. A chemical shift
assignment of 999.00 and its probability indicates the probability that no
assignment is found for that particular atom in the peak lists. The table shows
portions of the backbone assignment with computed probabilities.
|
1 |
1 |
MET |
CA |
1 |
54.4 |
0 |
54.7 |
0 |
54.8 |
0 |
54.9 |
0 |
55 |
0 |
55.1 |
0 |
55.2 |
0 |
55.3 |
0 |
999 |
0 |
55.4 |
|
|
2 |
1 |
MET |
CB |
1 |
33 |
0 |
30.6 |
0 |
31 |
0 |
999 |
0 |
31.1 |
0 |
31.2 |
0 |
30.9 |
0 |
31.3 |
0 |
31.4 |
0 |
31.5 |
|
|
3 |
1 |
MET |
CG |
1 |
30.8 |
0 |
31.1 |
0 |
31.2 |
0 |
31.3 |
0 |
31.4 |
0 |
31.5 |
0 |
31.6 |
0 |
999 |
0 |
16.9 |
0 |
17 |
|
|
4 |
1 |
MET |
HA |
1 |
4.18 |
0 |
2.03 |
0 |
2.02 |
0 |
2.01 |
0 |
1.96 |
0 |
2 |
0 |
1.97 |
0 |
1.98 |
0 |
1.99 |
0 |
999 |
|
|
5 |
1 |
MET |
HB2 |
1 |
2.05 |
0 |
1.93 |
0 |
1.92 |
0 |
1.9 |
0 |
1.89 |
0 |
1.88 |
0 |
1.86 |
0 |
1.85 |
0 |
999 |
0 |
3.16 |
|
|
6 |
1 |
MET |
HB3 |
1 |
2.05 |
0 |
1.92 |
0 |
2 |
0 |
2.5 |
0 |
2.49 |
0 |
1.96 |
0 |
1.99 |
0 |
1.97 |
0 |
1.98 |
0 |
999 |
|
|
7 |
1 |
MET |
HG2 |
0.505 |
2.5 |
0.495 |
1.92 |
0 |
1.96 |
0 |
2.07 |
0 |
2.08 |
0 |
2.03 |
0 |
1.97 |
0 |
2.06 |
0 |
2.05 |
0 |
999 |
|
|
8 |
1 |
MET |
HG3 |
0.985 |
2.5 |
0.015 |
1.92 |
0 |
2.07 |
0 |
1.96 |
0 |
2.08 |
0 |
2.03 |
0 |
2.06 |
0 |
1.97 |
0 |
2.05 |
0 |
999 |
|
|
9 |
2 |
GLN |
CA |
0.799 |
55.7 |
0.183 |
55.4 |
0.017 |
53.9 |
0 |
54.1 |
0 |
54.2 |
0 |
57 |
0 |
54.3 |
0 |
55.1 |
0 |
54.4 |
0 |
999 |
|
|
10 |
2 |
GLN |
CB |
1 |
29.5 |
0 |
27.7 |
0 |
35.2 |
0 |
999 |
0 |
25.6 |
0 |
26.1 |
0 |
25.7 |
0 |
25.8 |
0 |
25.9 |
0 |
26 |
|
|
11 |
2 |
GLN |
CG |
1 |
29.2 |
0 |
35.2 |
0 |
999 |
0 |
31.3 |
0 |
25.6 |
0 |
25.7 |
0 |
25.8 |
0 |
25.9 |
0 |
26 |
0 |
26.1 |
|
|
12 |
2 |
GLN |
HA |
1 |
4.59 |
0 |
3.06 |
0 |
3.04 |
0 |
3.03 |
0 |
3.14 |
0 |
3.15 |
0 |
3.12 |
0 |
3.13 |
0 |
4.39 |
0 |
999 |
|
|
13 |
2 |
GLN |
HB2 |
0.997 |
3.08 |
0.003 |
3.02 |
0 |
2.99 |
0 |
2.98 |
0 |
2.96 |
0 |
2.97 |
0 |
999 |
0 |
2.95 |
0 |
2.94 |
0 |
2.93 |
|
|
14 |
2 |
GLN |
HB3 |
1 |
3.11 |
0 |
3.06 |
0 |
3.07 |
0 |
3.08 |
0 |
3.05 |
0 |
3.02 |
0 |
2.98 |
0 |
2.96 |
0 |
999 |
0 |
1.01 |
|
|
15 |
2 |
GLN |
HG2 |
1 |
3.14 |
0 |
3.1 |
0 |
3.09 |
0 |
3.06 |
0 |
3.04 |
0 |
3.03 |
0 |
3.07 |
0 |
3 |
0 |
2.96 |
0 |
999 |
|
|
16 |
2 |
GLN |
HG3 |
1 |
3.14 |
0 |
3.1 |
0 |
3.09 |
0 |
3.06 |
0 |
3.04 |
0 |
3.03 |
0 |
3.07 |
0 |
3 |
0 |
2.96 |
0 |
999 |
|
|
17 |
3 |
ILE |
CA |
1 |
59.6 |
0 |
60.3 |
0 |
60.4 |
0 |
999 |
0 |
60.5 |
0 |
57 |
0 |
57.1 |
0 |
57.3 |
0 |
57.4 |
0 |
60.6 |
|
|
18 |
3 |
ILE |
CB |
1 |
42 |
0 |
999 |
0 |
38.6 |
0 |
38.3 |
0 |
38.4 |
0 |
38.2 |
0 |
38.1 |
0 |
38.5 |
0 |
38 |
0 |
38.7 |
|
|
19 |
3 |
ILE |
CD1 |
1 |
14.2 |
0 |
17.7 |
0 |
17.5 |
0 |
9.2 |
0 |
999 |
0 |
17.1 |
0 |
16.3 |
0 |
17 |
0 |
16.9 |
0 |
999 |
|
|
20 |
3 |
ILE |
CG1 |
1 |
24.9 |
0 |
25.6 |
0 |
25.7 |
0 |
25.8 |
0 |
25.9 |
0 |
999 |
0 |
18.9 |
0 |
29.2 |
0 |
17.5 |
0 |
16.3 |
|
|
21 |
3 |
ILE |
CG2 |
0.996 |
17.8 |
0.003 |
14.1 |
0 |
14.3 |
0 |
999 |
0 |
18.7 |
0 |
16.3 |
0 |
19 |
0 |
19.2 |
0 |
19.1 |
0 |
18.9 |
|
|
22 |
3 |
ILE |
HA |
1 |
4.11 |
0 |
4.26 |
0 |
4.25 |
0 |
4.27 |
0 |
4.24 |
0 |
4.23 |
0 |
4.22 |
0 |
999 |
0 |
4.31 |
0 |
3.58 |
|
|
23 |
3 |
ILE |
HB |
1 |
1.72 |
0 |
0.55 |
0 |
0.54 |
0 |
0.52 |
0 |
0.51 |
0 |
0.78 |
0 |
0.49 |
0 |
0.47 |
0 |
0.73 |
0 |
999 |
|
|
24 |
3 |
ILE |
HD1 |
1 |
0.54 |
0 |
0.6 |
0 |
0.62 |
0 |
0.63 |
0 |
0.78 |
0 |
0.77 |
0 |
0.75 |
0 |
0.73 |
0 |
0.74 |
0 |
999 |
|
|
25 |
3 |
ILE |
HG12 |
1 |
1 |
0 |
0.79 |
0 |
0.76 |
0 |
0.81 |
0 |
0.54 |
0 |
0.52 |
0 |
0.73 |
0 |
1.24 |
0 |
999 |
0 |
1.23 |
|
|
26 |
3 |
ILE |
HG13 |
1 |
1 |
0 |
0.79 |
0 |
0.76 |
0 |
0.81 |
0 |
0.54 |
0 |
0.52 |
0 |
0.73 |
0 |
999 |
0 |
1.24 |
0 |
1.23 |
|
|
27 |
3 |
ILE |
HG2 |
1 |
0.57 |
0 |
0.54 |
0 |
0.52 |
0 |
1 |
0 |
1.01 |
0 |
0.78 |
0 |
0.77 |
0 |
0.73 |
0 |
0.74 |
0 |
999 |
|
|
28 |
4 |
PHE |
CA |
1 |
55.1 |
0 |
55.4 |
0 |
55.5 |
0 |
999 |
0 |
56.5 |
0 |
56.6 |
0 |
56.7 |
0 |
56.8 |
0 |
57 |
0 |
57.1 |
|
|
29 |
4 |
PHE |
CB |
1 |
41.2 |
0 |
45.5 |
0 |
999 |
0 |
40.2 |
0 |
40.1 |
0 |
39.6 |
0 |
39.7 |
0 |
39.8 |
0 |
39.9 |
0 |
40 |
|
|
30 |
4 |
PHE |
HA |
1 |
5.59 |
0 |
2.99 |
0 |
3 |
0 |
2.98 |
0 |
2.97 |
0 |
999 |
0 |
2.96 |
0 |
2.95 |
0 |
2.93 |
0 |
2.94 |
|
|
31 |
4 |
PHE |
HB2 |
0.748 |
2.83 |
0.224 |
3 |
0.029 |
2.82 |
0 |
3.03 |
0 |
3.04 |
0 |
3.05 |
0 |
999 |
0 |
3.06 |
0 |
3.07 |
0 |
3.08 |
|
|
32 |
4 |
PHE |
HB3 |
0.94 |
2.83 |
0.031 |
3 |
0.029 |
2.82 |
0 |
2.75 |
0 |
999 |
0 |
2.74 |
0 |
2.73 |
0 |
2.71 |
0 |
2.7 |
0 |
2.69 |
|
|
33 |
5 |
VAL |
CA |
1 |
60.5 |
0 |
999 |
0 |
62 |
0 |
62.2 |
0 |
62.3 |
0 |
62.4 |
0 |
62.5 |
0 |
62.1 |
0 |
61.9 |
0 |
61.8 |
|
|
34 |
5 |
VAL |
CB |
1 |
34.2 |
0 |
27.7 |
0 |
999 |
0 |
36.4 |
0 |
36.3 |
0 |
36.2 |
0 |
36.1 |
0 |
35.8 |
0 |
35.9 |
0 |
36 |
|
|
35 |
5 |
VAL |
CG1 |
0.993 |
20.8 |
0.007 |
22.2 |
0 |
17.7 |
0 |
17.2 |
0 |
17.4 |
0 |
1px"> 999 |
0 |
17.1 |
0 |
17.5 |
0 |
17 |
0 |
17.6 |
|
|
36 |
5 |
VAL |
CG2 |
0.99 |
22.2 |
0.01 |
20.8 |
0 |
26.5 |
0 |
19 |
0 |
18.9 |
0 |
999 |
0 |
17.5 |
0 |
17.7 |
0 |
17 |
0 |
16.9 |
|
|
37 |
5 |
VAL |
HA |
1 |
4.72 |
0 |
1.86 |
0 |
1.88 |
0 |
1.85 |
0 |
1.89 |
0 |
1.9 |
0 |
4.54 |
0 |
1.91 |
0 |
1.92 |
0 |
999 |
|
|
38 |
5 |
VAL |
HB |
1 |
1.86 |
0 |
0.68 |
0 |
0.67 |
0 |
0.66 |
0 |
0.69 |
0 |
0.64 |
0 |
0.63 |
0 |
0.62 |
0 |
0.6 |
0 |
999 |
|
|
39 |
5 |
VAL |
HG1 |
0.875 |
0.68 |
0.101 |
0.69 |
0.019 |
0.67 |
0.002 |
0.63 |
0.002 |
0.66 |
0 |
0.73 |
0 |
0.74 |
0 |
0.33 |
0 |
999 |
0 |
0.52 |
|
|
40 |
5 |
VAL |
HG2 |
0.998 |
0.66 |
0.002 |
0.63 |
0 |
0.69 |
0 |
0.7 |
0 |
0.71 |
0 |
0.73 |
0 |
0.74 |
0 |
0.33 |
0 |
0.52 |
0 |
999 |
|
|
41 |
6 |
LYS |
CA |
1 |
54.5 |
0 |
999 |
0 |
60.4 |
0 |
56.2 |
0 |
56.1 |
0 |
56.3 |
0 |
56 |
0 |
57.5 |
0 |
57.6 |
0 |
57.4 |
|
|
42 |
6 |
LYS |
CB |
1 |
34.4 |
0 |
999 |
0 |
32.1 |
0 |
32.2 |
0 |
32.3 |
0 |
32.4 |
0 |
32.6 |
0 |
32.7 |
0 |
32.5 |
0 |
32.8 |
|
|
43 |
6 |
LYS |
CD |
1 |
29.2 |
0 |
29.3 |
0 |
29.1 |
0 |
29.4 |
0 |
29 |
0 |
28.9 |
0 |
28.8 |
0 |
28.7 |
0 |
24.9 |
0 |
999 |
|
|
44 |
6 |
LYS |
CE |
0.782 |
41.9 |
0.218 |
42 |
0 |
41.8 |
0 |
42.1 |
0 |
41.7 |
0 |
42.2 |
0 |
41.6 |
0 |
42.3 |
0 |
42.4 |
0 |
999 |
|
|
45 |
6 |
LYS |
CG |
0.52 |
24.9 |
0.444 |
29.2 |
0.036 |
25 |
0 |
25.1 |
0 |
24.8 |
0 |
25.2 |
0 |
24.7 |
0 |
24.6 |
0 |
24.5 |
0 |
999 |
|
|
46 |
6 |
LYS |
HA |
1 |
5.27 |
0 |
1.33 |
0 |
1.23 |
0 |
1.63 |
0 |
1.32 |
0 |
4.29 |
0 |
4.3 |
0 |
4.28 |
0 |
999 |
0 |
4.31 |
|
|
47 |
6 |
LYS |
HB2 |
0.977 |
1.33 |
0.015 |
1.63 |
0.008 |
1.32 |
0 |
1.23 |
0 |
1.42 |
0 |
1.52 |
0 |
1.83 |
0 |
1.82 |
0 |
999 |
0 |
1.81 |
|
|
48 |
6 |
LYS |
HB3 |
0.99 |
1.33 |
0.008 |
1.32 |
0.002 |
1.63 |
0 |
1.23 |
0 |
1.42 |
0 |
1.52 |
0 |
1.84 |
0 |
1.83 |
0 |
1.88 |
0 |
999 |
|
|
49 |
6 |
LYS |
HD2 |
1 |
1.52 |
0 |
1.23 |
0 |
1.63 |
0 |
1.42 |
0 |
2.85 |
0 |
1.67 |
0 |
1.68 |
0 |
1.69 |
0 |
1.7 |
0 |
999 |
|
|
50 |
6 |
LYS |
HD3 |
1 |
1.52 |
0 |
1.63 |
0 |
1.23 |
0 |
1.42 |
0 |
1.67 |
0 |
1.68 |
0 |
1.69 |
0 |
1.7 |
0 |
1.71 |
0 |
999 |
|
|
51 |
6 |
LYS |
HE2 |
1 |
2.85 |
0 |
999 |
0 |
2.96 |
0 |
3.01 |
0 |
3.02 |
0 |
3 |
0 |
3.03 |
0 |
2.99 |
0 |
2.98 |
0 |
2.97 |
|
|
52 |
6 |
LYS |
HE3 |
1 |
2.85 |
0 |
999 |
0 |
2.96 |
0 |
3.01 |
0 |
3.02 |
0 |
3 |
0 |
3.03 |
0 |
2.99 |
0 |
2.98 |
0 |
2.97 |
|
|
53 |
6 |
LYS |
HG2 |
0.556 |
1.52 |
0.444 |
1.23 |
0 |
1.42 |
0 |
1.41 |
0 |
1.33 |
0 |
1.4 |
0 |
1.43 |
0 |
2.85 |
0 |
1.45 |
0 |
999 |
|
|
54 |
6 |
LYS |
HG3 |
0.556 |
1.52 |
0.444 |
1.23 |
0 |
1.42 |
0 |
1.41 |
0 |
1.33 |
0 |
1.38 |
0 |
1.46 |
0 |
1.45 |
0 |
1.63 |
0 |
999 |
|
|
55 |
7 |
THR |
CA |
1 |
60.5 |
0 |
60.8 |
0 |
70.5 |
0 |
70.4 |
0 |
61 |
0 |
999 |
0 |
61.1 |
0 |
61.3 |
0 |
61.4 |
0 |
61.6 |
|
|
56 |
7 |
THR |
CB |
0.999 |
70.5 |
0 |
60.5 |
0 |
60.3 |
0 |
60.6 |
0 |
60.4 |
0 |
60.8 |
0 |
61 |
0 |
61.1 |
0 |
999 |
0 |
69.5 |
|
|
57 |
7 |
THR |
CG2 |
1 |
21.4 |
0 |
21.1 |
0 |
21 |
0 |
18.7 |
0 |
999 |
0 |
20.8 |
0 |
20.1 |
0 |
20.3 |
0 |
20.5 |
0 |
20.7 |
|
|
58 |
7 |
THR |
HA |
1 |
4.87 |
0 |
4.76 |
0 |
999 |
0 |
4.25 |
0 |
4.26 |
0 |
4.27 |
0 |
4.24 |
0 |
4.28 |
0 |
4.23 |
0 |
4.22 |
|
|
59 |
7 |
THR |
HB |
0.998 |
4.76 |
0.002 |
4.87 |
0 |
999 |
0 |
3.99 |
0 |
4.01 |
0 |
4.03 |
0 |
4.15 |
0 |
4.14 |
0 |
4.06 |
0 |
4.07 |
|
|
60 |
7 |
THR |
HG2 |
1 |
1.13 |
0 |
999 |
0 |
1.4 |
0 |
1.39 |
0 |
1.43 |
0 |
1.38 |
0 |
1.37 |
0 |
1.34 |
0 |
1.35 |
0 |
1.36 |
|
|
61 |
8 |
LEU |
CA |
1 |
57.5 |
0 |
57.8 |
0 |
999 |
0 |
52.4 |
0 |
52.5 |
0 |
52.6 |
0 |
52.7 |
0 |
54.4 |
0 |
54.1 |
0 |
54.3 |
|
|
62 |
8 |
LEU |
CB |
1 |
41.9 |
0 |
27 |
0 |
999 |
0 |
25.6 |
0 |
27.2 |
0 |
25.7 |
0 |
25.8 |
0 |
25.9 |
0 |
26.1 |
0 |
26 |
|
|
63 |
8 |
LEU |
CD1 |
1 |
23.7 |
0 |
25.3 |
0 |
25.1 |
0 |
25.2 |
0 |
25 |
0 |
25.6 |
0 |
24.9 |
0 |
999 |
0 |
25.7 |
0 |
24.8 |
|
|
64 |
8 |
LEU |
CD2 |
1 |
25.3 |
0 |
25.6 |
0 |
23.4 |
0 |
20.1 |
0 |
23.2 |
0 |
999 |
0 |
27.2 |
0 |
23 |
0 |
22.9 |
0 |
22.8 |
|
|
65 |
8 |
LEU |
CG |
1 |
27.1 |
0 |
25.1 |
0 |
999 |
0 |
25 |
0 |
25.6 |
0 |
25.3 |
0 |
24.9 |
0 |
25.2 |
0 |
24.8 |
0 |
22.9 |
|
|
66 |
8 |
LEU |
HA |
1 |
4.26 |
0 |
1.72 |
0 |
1.71 |
0 |
1.75 |
0 |
1.86 |
0 |
1.85 |
0 |
1.84 |
0 |
1.83 |
0 |
1.82 |
0 |
999 |
|
|
67 |
8 |
LEU |
HB2 |
1 |
1.71 |
0 |
1.75 |
0 |
1.88 |
0 |
1.82 |
0 |
1.67 |
0 |
1.85 |
0 |
1.86 |
0 |
1.89 |
0 |
0.4 |
0 |
999 |
|
|
68 |
8 |
LEU |
HB3 |
1 |
1.71 |
0 |
1.75 |
0 |
1.88 |
0 |
1.82 |
0 |
1.85 |
0 |
1.86 |
0 |
0.4 |
0 |
0.42 |
0 |
0.44 |
0 |
999 |
|
|
69 |
8 |
LEU |
HD1 |
1 |
0.93 |
0 |
0.96 |
0 |
1 |
0 |
0.99 |
0 |
0.97 |
0 |
999 |
0 |
0.4 |
0 |
0.39 |
0 |
0.37 |
0 |
0.36 |
|
|
70 |
8 |
LEU |
HD2 |
1 |
0.98 |
0 |
0.91 |
0 |
0.89 |
0 |
0.88 |
0 |
0.4 |
0 |
0.39 |
0 |
0.87 |
0 |
0.37 |
0 |
999 |
0 |
0.36 |
|
|
71 |
8 |
LEU |
HG |
1 |
1.82 |
0 |
1.72 |
0 |
1.71 |
0 |
0.96 |
0 |
0.97 |
0 |
999 |
0 |
0.4 |
0 |
0.42 |
0 |
0.44 |
0 |
0.15 |
|
|
72 |
9 |
THR |
CA |
1 |
61.4 |
0 |
69 |
0 |
68.9 |
0 |
999 |
0 |
57.7 |
0 |
57.6 |
0 |
57.4 |
0 |
57.3 |
0 |
57.1 |
0 |
57 |
|
|
73 |
9 |
THR |
CB |
1 |
69 |
0 |
61.3 |
0 |
61.1 |
0 |
999 |
0 |
61 |
0 |
60.3 |
0 |
60.8 |
0 |
60.6 |
0 |
60.5 |
0 |
60.4 |
|
|
74 |
9 |
THR |
CG2 |
1 |
21.8 |
0 |
18.1 |
0 |
999 |
0 |
19.1 |
0 |
17 |
0 |
18.2 |
0 |
17.1 |
0 |
16.9 |
0 |
17.2 |
0 |
20.1 |
|
|
75 |
9 |
THR |
HA |
1 |
4.37 |
0 |
4.54 |
0 |
999 |
0 |
999 |
0 |
999 |
0 |
999 |
0 |
999 |
0 |
999 |
0 |
999 |
0 |
999 |
|
|
76 |
9 |
THR |
HB |
1 |
4.54 |
0 |
4.37 |
0 |
1.45 |
0 |
1.46 |
0 |
1.3 |
0 |
1.43 |
0 |
999 |
0 |
1.31 |
0 |
1.33 |
0 |
1.34 |
|
|
77 |
9 |
THR |
HG2 |
1 |
1.21 |
0 |
1.3 |
0 |
1.31 |
0 |
999 |
0 |
1.45 |
0 |
1.33 |
0 |
1.34 |
0 |
1.35 |
0 |
1.38 |
0 |
1.39 |
|
|
78 |
10 |
GLY |
CA |
0.997 |
45.3 |
0.002 |
45.4 |
0.001 |
45.2 |
0 |
45.5 |
0 |
45.1 |
0 |
45.6 |
0 |
45 |
"> 0 |
45.7 |
0 |
44.9 |
0 |
999 |
|
|
79 |
10 |
GLY |
HA2 |
0.916 |
4.3 |
0.084 |
3.56 |
0 |
999 |
0 |
3.95 |
0 |
3.9 |
0 |
3.94 |
0 |
3.93 |
0 |
3.92 |
0 |
3.96 |
0 |
3.97 |
|
|
80 |
10 |
GLY |
HA3 |
0.918 |
3.56 |
0.082 |
4.3 |
0 |
4.08 |
0 |
4.07 |
0 |
4.06 |
0 |
4.1 |
0 |
4.11 |
0 |
999 |
0 |
4.15 |
0 |
4.14 |
|
|
81 |
11 |
LYS |
CA |
0.997 |
56.2 |
0.002 |
56.3 |
0 |
56.1 |
0 |
56 |
0 |
57.5 |
0 |
57.6 |
0 |
57.4 |
0 |
57.3 |
0 |
57.2 |
0 |
999 |
|
|
82 |
11 |
LYS |
CB |
1 |
33.3 |
0 |
29.5 |
0 |
999 |
0 |
999 |
0 |
999 |
0 |
999 |
0 |
999 |
0 |
999 |
0 |
0 |
999 |
0 |
999 |
|
83 |
11 |
LYS |
CD |
1 |
25 |
0 |
999 |
0 |
29.5 |
0 |
29.4 |
0 |
29.3 |
0 |
29.2 |
0 |
29.1 |
0 |
29 |
0 |
28.9 |
0 |
28.8 |
|
|
84 |
11 |
LYS |
CE |
0.546 |
42 |
0.453 |
41.9 |
0 |
41.8 |
0 |
42.1 |
0 |
41.7 |
0 |
42.2 |
0 |
41.6 |
0 |
42.3 |
0 |
42.4 |
0 |
999 |
|
|
85 |
11 |
LYS |
CG |
0.996 |
25 |
0.003 |
25.1 |
0.001 |
25.2 |
0 |
24.9 |
0 |
24.8 |
0 |
25.3 |
0 |
24.7 |
0 |
999 |
0 |
24.6 |
0 |
24.5 |
|
|
86 |
11 |
LYS |
HA |
1 |
4.3 |
0 |
4.61 |
0 |
999 |
0 |
3.1 |
0 |
5.15 |
0 |
999 |
0 |
999 |
0 |
999 |
0 |
999 |
0 |
999 |
|
|
87 |
11 |
LYS |
HB2 |
1 |
1.7 |
0 |
1.76 |
0 |
1.37 |
0 |
1.19 |
0 |
1.64 |
0 |
2.87 |
0 |
1.81 |
0 |
1.82 |
0 |
3.1 |
0 |
999 |
|
|
88 |
11 |
LYS |
HB3 |
1 |
1.7 |
0 |
1.76 |
0 |
1.37 |
0 |
1.19 |
0 |
1.64 |
0 |
999 |
0 |
1.83 |
0 |
1.84 |
0 |
1.87 |
0 |
1.88 |
|
|
89 |
11 |
LYS |
HD2 |
0.501 |
1.19 |
0.499 |
1.37 |
0 |
1.76 |
0 |
2.87 |
0 |
1.64 |
0 |
1.67 |
0 |
1.7 |
0 |
1.69 |
0 |
999 |
0 |
3.14 |
|
|
90 |
11 |
LYS |
HD3 |
0.667 |
1.37 |
0.333 |
1.19 |
0 |
1.76 |
0 |
1.64 |
0 |
1.68 |
0 |
1.7 |
0 |
1.69 |
0 |
999 |
0 |
3.14 |
0 |
3.05 |
|
|
91 |
11 |
LYS |
HE2 |
1 |
2.87 |
0 |
3.14 |
0 |
3.05 |
0 |
2.97 |
0 |
3.01 |
0 |
3.02 |
0 |
2.98 |
0 |
3 |
0 |
2.99 |
0 |
999 |
|
|
92 |
11 |
LYS |
HE3 |
1 |
2.87 |
0 |
3.14 |
0 |
3.05 |
0 |
2.97 |
0 |
3.01 |
0 |
3.02 |
0 |
2.98 |
0 |
3 |
0 |
2.99 |
0 |
999 |
|
|
93 |
11 |
LYS |
HG2 |
0.54 |
1.37 |
0.46 |
1.19 |
0 |
1.76 |
0 |
2.87 |
0 |
1.41 |
0 |
1.64 |
0 |
1.42 |
0 |
1.43 |
0 |
1.45 |
0 |
999 |
|
|
94 |
11 |
LYS |
HG3 |
0.673 |
1.37 |
0.326 |
1.19 |
0.001 |
1.38 |
0 |
1.76 |
0 |
1.41 |
0 |
1.64 |
0 |
1.42 |
0 |
1.45 |
0 |
1.46 |
0 |
999 |
...
...
...