GLU CB Chemical Shift Outliers

___________________________________________________
GLU CB Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
67989
30.022
9.08
330.834
3.235


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
25442
28
GLU
CB
329.69
.
25442
29
GLU
CB
329.899
.
25442
40
GLU
CB
330.166
.
25442
37
GLU
CB
330.222
.
25442
7
GLU
CB
330.834
.
4232
56
GLU
CB
39.78
1
5799
20
GLU
CB
39.8
1
5662
24
GLU
CB
39.84
.
11596
71
GLU
CB
39.933
1
6840
127
GLU
CB
40
1
4232
41
GLU
CB
40.06
1
17710
24
GLU
CB
40.077
1
4186
13
GLU
CB
40.1
1
4232
16
GLU
CB
40.31
1
5953
116
GLU
CB
40.39
1
16337
37
GLU
CB
40.4
9
5954
116
GLU
CB
40.42
1
4232
21
GLU
CB
40.46
1
18620
83
GLU
CB
40.517
1
4994
25
GLU
CB
40.6
1
4232
9
GLU
CB
40.62
1
4232
63
GLU
CB
40.66
1
15680
137
GLU
CB
40.754
1
15826
244
GLU
CB
40.8
1
4232
57
GLU
CB
40.87
1
19458
86
GLU
CB
40.878
.
25281
108
GLU
CB
40.88
.
18316
4
GLU
CB
40.99
1
4232
67
GLU
CB
40.99
1
26942
77
GLU
CB
41.008
1
11453
42
GLU
CB
41.035
1
4232
77
GLU
CB
41.05
1
4232
88
GLU
CB
41.12
1
4232
64
GLU
CB
41.2
1
27044
4
GLU
CB
41.206
1
4232
17
GLU
CB
41.38
1
25267
201
GLU
CB
41.5
1
11453
64
GLU
CB
41.587
1
27399
42
GLU
CB
41.92
1
19635
68
GLU
CB
41.955
.
7260
88
GLU
CB
42.331
1
27300
152
GLU
CB
42.633
.
15783
83
GLU
CB
43.703
.
4712
83
GLU
CB
44.18
1
15873
30
GLU
CB
45.835
1
15874
30
GLU
CB
45.835
1
18323
5
GLU
CB
46.749
1
27061
32
GLU
CB
47.4905
1
19854
36
GLU
CB
48.14
1
15548
62
GLU
CB
49.56
1
18601
166
GLU
CB
52.489
1
18601
157
GLU
CB
52.647
1
18601
79
GLU
CB
52.753
1
18601
241
GLU
CB
53.181
1
18601
306
GLU
CB
53.406
1
18601
221
GLU
CB
53.863
1
18601
26
GLU
CB
53.912
1
18601
115
GLU
CB
54.108
1
25382
67
GLU
CB
56.684
.
25382
35
GLU
CB
57.435
.
25382
69
GLU
CB
57.464
.
25382
40
GLU
CB
57.917
.
25382
32
GLU
CB
58.48
.
25382
58
GLU
CB
58.628
.
25382
82
GLU
CB
59.198
.
25382
7
GLU
CB
59.736
.
15877
15
GLU
CB
60.176
1
6258
60
GLU
CB
61.48
1
7180
139
GLU
CB
61.8
1
16729
103
GLU
CB
62.385
1
16729
335
GLU
CB
63.132
1
11453
62
GLU
CB
64.082
1
16729
299
GLU
CB
67.895
1
4150
59
GLU
CB
68.118
.
4150
88
GLU
CB
68.62
.
16729
39
GLU
CB
68.68
1
4150
99
GLU
CB
69.652
.
4150
19
GLU
CB
69.83
.
4150
18
GLU
CB
70.092
.
4150
78
GLU
CB
70.604
.
4150
100
GLU
CB
70.689
.
4150
107
GLU
CB
70.758
.
5179
52
GLU
CB
77.08
.
5179
21
GLU
CB
77.58
.
5179
10
GLU
CB
77.98
.
5179
50
GLU
CB
78.28
.
5179
65
GLU
CB
79.38
.
5179
45
GLU
CB
79.38
.
5179
57
GLU
CB
79.98
.
5179
17
GLU
CB
81.48
.


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
15091
127
GLU
CB
15.25
1
16729
154
GLU
CB
16.628
1
16729
75
GLU
CB
16.887
1
16729
281
GLU
CB
17.131
1
19063
31
GLU
CB
18.356
.
19063
27
GLU
CB
18.702
.
6586
59
GLU
CB
18.713
1
19458
60
GLU
CB
19.4125
.
19063
72
GLU
CB
19.67
.
7291
66
GLU
CB
9.08
1