PHE CB Chemical Shift Outliers

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PHE CB Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
32549
39.968
2.161
341.7
3.702


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
11055
24
PHE
CB
137
1
25442
32
PHE
CB
339.305
.
25442
27
PHE
CB
339.826
.
25442
10
PHE
CB
341.7
.
4232
13
PHE
CB
51.86
1
4232
26
PHE
CB
52.04
1
25278
66
PHE
CB
54.6
1
25792
120
PHE
CB
55.621
.
27080
26
PHE
CB
55.807
1
27512
49
PHE
CB
56.739
.
4413
44
PHE
CB
62.567
1
16729
215
PHE
CB
63.945
1
25382
31
PHE
CB
66.849
.
25382
30
PHE
CB
67.562
.
16729
109
PHE
CB
68.815
1
25382
41
PHE
CB
69.756
.
25382
54
PHE
CB
70.011
.
4150
76
PHE
CB
78.598
.
4150
68
PHE
CB
83.863
.
5179
32
PHE
CB
84.38
.
4150
81
PHE
CB
85.297
.
5179
69
PHE
CB
86.58
.
5179
19
PHE
CB
88.68
.
5179
35
PHE
CB
88.78
.


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
26593
77
PHE
CB
2.161
1
5745
39
PHE
CB
21.4
1
11453
47
PHE
CB
22.476
1
15071
42
PHE
CB
25.52
1
6080
160
PHE
CB
25.523
1
19321
45
PHE
CB
26.348
1
17762
46
PHE
CB
26.692
1
18793
106
PHE
CB
26.801
1
6242
1
PHE
CB
27.9
1
18543
174
PHE
CB
27.9
1
17759
57
PHE
CB
28.093
1
16337
122
PHE
CB
28.1
1
16729
294
PHE
CB
28.318
1
4421
104
PHE
CB
28.6
1
19063
40
PHE
CB
28.655
.
5500
29
PHE
CB
28.682
1