GLU CB Chemical Shift Outliers

___________________________________________________
GLU CB Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
45654
30.043
9.08
181.95
2.179


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
5468
58
GLU
CB
114.27
1
15380
42
GLU
CB
181.95
1
6395
70
GLU
CB
36.6
1
6282
28
GLU
CB
36.6
1
4722
61
GLU
CB
36.6
1
6251
73
GLU
CB
36.6
1
15804
145
GLU
CB
36.612
1
10215
19
GLU
CB
36.636
1
15426
152
GLU
CB
36.639
.
15835
115
GLU
CB
36.665
1
5866
44
GLU
CB
36.7
1
5745
82
GLU
CB
36.7
1
5059
46
GLU
CB
36.7
1
4089
95
GLU
CB
36.7
1
15193
10
GLU
CB
36.7
1
16337
182
GLU
CB
36.7
9
5866
91
GLU
CB
36.7
1
16909
47
GLU
CB
36.712
1
17866
73
GLU
CB
36.74
1
7208
12
GLU
CB
36.743
1
18165
47
GLU
CB
36.755
1
6309
32
GLU
CB
36.8
1
16334
81
GLU
CB
36.822
1
16376
76
GLU
CB
36.835
1
6060
97
GLU
CB
36.863
1
6769
68
GLU
CB
36.881
1
6695
278
GLU
CB
36.97
1
18012
63
GLU
CB
36.983
1
5805
21
GLU
CB
37
1
16837
138
GLU
CB
37.03
1
7009
89
GLU
CB
37.096
.
17039
92
GLU
CB
37.1
1
16385
91
GLU
CB
37.145
1
17724
49
GLU
CB
37.188
1
6868
71
GLU
CB
37.22
1
7208
12
GLU
CB
37.319
1
16380
66
GLU
CB
37.328
1
17900
83
GLU
CB
37.371
1
16883
63
GLU
CB
37.38
1
5894
91
GLU
CB
37.41
1
5894
95
GLU
CB
37.42
1
5894
112
GLU
CB
37.42
1
5894
102
GLU
CB
37.42
1
6769
61
GLU
CB
37.44
1
4294
54
GLU
CB
37.47
1
4313
120
GLU
CB
37.5
9
5894
83
GLU
CB
37.67
1
5894
88
GLU
CB
37.67
1
16516
166
GLU
CB
37.802
1
15835
122
GLU
CB
37.82
1
15949
36
GLU
CB
37.831
.
6837
75
GLU
CB
37.849
.
4330
154
GLU
CB
38.086
.
11514
126
GLU
CB
38.161
1
15213
10
GLU
CB
38.2
1
11513
125
GLU
CB
38.23
1
6702
64
GLU
CB
38.23
.
19239
200
GLU
CB
38.417
1
19239
198
GLU
CB
38.442
1
18941
92
GLU
CB
38.445
1
16337
9
GLU
CB
38.6
9
11429
25
GLU
CB
38.65
1
6837
20
GLU
CB
38.726
.
16168
5
GLU
CB
38.736
1
17507
170
GLU
CB
38.75
1
18235
115
GLU
CB
38.8
1
7032
88
GLU
CB
38.82
1
17851
169
GLU
CB
39.062
1
5075
95
GLU
CB
39.2
1
17852
169
GLU
CB
39.252
1
17512
93
GLU
CB
39.34
.
7235
169
GLU
CB
39.472
1
4232
76
GLU
CB
39.48
1
16694
114
GLU
CB
39.539
.
18941
115
GLU
CB
39.601
1
7234
169
GLU
CB
39.617
1
16409
169
GLU
CB
39.677
1
4232
56
GLU
CB
39.78
1
5799
20
GLU
CB
39.8
1
5662
24
GLU
CB
39.84
.
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
18316
4
GLU
CB
40.99
1
4232
67
GLU
CB
40.99
1
4232
77
GLU
CB
41.05
1
4232
88
GLU
CB
41.12
1
4232
64
GLU
CB
41.2
1
4232
17
GLU
CB
41.38
1
7260
88
GLU
CB
42.331
1
15783
83
GLU
CB
43.703
.
4712
83
GLU
CB
44.18
1
15874
30
GLU
CB
45.835
1
15873
30
GLU
CB
45.835
1
18323
5
GLU
CB
46.749
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
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
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
6586
59
GLU
CB
18.713
1
6586
113
GLU
CB
20.767
1
6586
56
GLU
CB
20.767
1
6586
115
GLU
CB
21.192
1
6586
108
GLU
CB
21.263
1
6586
43
GLU
CB
21.31
1
6586
119
GLU
CB
21.334
1
6586
14
GLU
CB
21.404
1
6586
65
GLU
CB
21.475
1
15316
33
GLU
CB
21.6
.
4431
94
GLU
CB
21.7
1
6586
79
GLU
CB
21.758
1
6586
42
GLU
CB
21.758
1
6586
58
GLU
CB
21.971
1
6586
130
GLU
CB
22.042
1
6586
11
GLU
CB
22.183
1
4431
28
GLU
CB
22.3
1
18663
132
GLU
CB
22.44
1
16884
22
GLU
CB
23.2
1
4202
51
GLU
CB
23.3
1
15120
97
GLU
CB
23.4
.
7291
66
GLU
CB
9.08
1