GLU CB Chemical Shift Outliers

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GLU CB Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
15826
29.971
18.713
49.56
1.779


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
6780
95
GLU
CB
35.316
1
15063
63
GLU
CB
35.317
1
5247
74
GLU
CB
35.325
1
4109
42
GLU
CB
35.338
1
4455
37
GLU
CB
35.34
1
7008
98
GLU
CB
35.34
.
4668
126
GLU
CB
35.34
1
7231
186
GLU
CB
35.351
1
7024
105
GLU
CB
35.364
.
6532
82
GLU
CB
35.377
.
5895
22
GLU
CB
35.38
.
7229
22
GLU
CB
35.396
1
4031
111
GLU
CB
35.4
1
6939
131
GLU
CB
35.401
.
6933
62
GLU
CB
35.417
1
6610
35
GLU
CB
35.436
1
15016
24
GLU
CB
35.448
.
5981
180
GLU
CB
35.451
1
7172
30
GLU
CB
35.455
1
6254
36
GLU
CB
35.46
1
15353
26
GLU
CB
35.472
1
4109
34
GLU
CB
35.495
1
5186
93
GLU
CB
35.5
1
5570
138
GLU
CB
35.5
1
6001
121
GLU
CB
35.5
1
6015
83
GLU
CB
35.507
1
6769
78
GLU
CB
35.597
1
6126
93
GLU
CB
35.6
1
6910
103
GLU
CB
35.6
1
5554
93
GLU
CB
35.6
1
6183
335
GLU
CB
35.602
1
5627
31
GLU
CB
35.61
1
6705
72
GLU
CB
35.647
.
15426
192
GLU
CB
35.674
.
6183
334
GLU
CB
35.677
1
15652
67
GLU
CB
35.678
1
6229
66
GLU
CB
35.684
1
7093
3
GLU
CB
35.691
1
5866
72
GLU
CB
35.7
1
6611
98
GLU
CB
35.7
1
5866
56
GLU
CB
35.7
1
5866
14
GLU
CB
35.7
1
5838
21
GLU
CB
35.7
1
15426
70
GLU
CB
35.711
.
4239
63
GLU
CB
35.719
.
6113
57
GLU
CB
35.73
1
6927
62
GLU
CB
35.745
1
6338
18
GLU
CB
35.752
1
15300
74
GLU
CB
35.773
1
5691
33
GLU
CB
35.845
1
4065
18
GLU
CB
35.85
1
6092
74
GLU
CB
35.855
1
5736
101
GLU
CB
35.86
.
15232
75
GLU
CB
35.887
1
6448
54
GLU
CB
35.9
1
4773
55
GLU
CB
35.9
1
6999
80
GLU
CB
35.906
1
6753
13
GLU
CB
35.92
.
5794
66
GLU
CB
35.92
1
6726
96
GLU
CB
35.949
1
7079
127
GLU
CB
35.95
1
5596
37
GLU
CB
35.952
1
6620
184
GLU
CB
35.98
1
5233
7
GLU
CB
35.99
1
4367
61
GLU
CB
36
1
4022
117
GLU
CB
36
1
4336
96
GLU
CB
36
1
4136
25
GLU
CB
36
1
7079
62
GLU
CB
36.04
1
15020
110
GLU
CB
36.043
1
5067
57
GLU
CB
36.05
1
5536
73
GLU
CB
36.07
1
7268
78
GLU
CB
36.1
1
6344
14
GLU
CB
36.1
1
4336
19
GLU
CB
36.1
1
6344
48
GLU
CB
36.1
1
6883
86
GLU
CB
36.129
1
7126
73
GLU
CB
36.13
1
5128
34
GLU
CB
36.16
1
6250
73
GLU
CB
36.2
1
7103
102
GLU
CB
36.2
1
4678
13
GLU
CB
36.24
.
4497
62
GLU
CB
36.26
.
4599
62
GLU
CB
36.26
.
4599
132
GLU
CB
36.27
.
4497
132
GLU
CB
36.27
.
10006
102
GLU
CB
36.296
1
5200
73
GLU
CB
36.3
.
5505
84
GLU
CB
36.3
1
6447
34
GLU
CB
36.3
1
4394
40
GLU
CB
36.3
4
15232
73
GLU
CB
36.308
1
4321
155
GLU
CB
36.34
1
5058
36
GLU
CB
36.356
1
5064
53
GLU
CB
36.4
1
7086
82
GLU
CB
36.4
1
6583
69
GLU
CB
36.44
1
4833
63
GLU
CB
36.45
1
6883
189
GLU
CB
36.468
1
4099
21
GLU
CB
36.5
1
4099
21
GLU
CB
36.5
1
5298
98
GLU
CB
36.5
1
6955
45
GLU
CB
36.53
1
4300
134
GLU
CB
36.55
1
4299
134
GLU
CB
36.55
1
4239
17
GLU
CB
36.561
.
4239
62
GLU
CB
36.579
.
6251
73
GLU
CB
36.6
1
6282
28
GLU
CB
36.6
1
6395
70
GLU
CB
36.6
1
4722
61
GLU
CB
36.6
1
6395
70
GLU
CB
36.6
1
15426
152
GLU
CB
36.639
.
5059
46
GLU
CB
36.7
1
5866
91
GLU
CB
36.7
1
5866
44
GLU
CB
36.7
1
15193
10
GLU
CB
36.7
1
6309
32
GLU
CB
36.8
1
6769
68
GLU
CB
36.881
1
6695
278
GLU
CB
36.97
1
7009
89
GLU
CB
37.096
.
6868
71
GLU
CB
37.22
1
5894
91
GLU
CB
37.41
1
5894
112
GLU
CB
37.42
1
5894
95
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
5894
83
GLU
CB
37.67
1
5894
88
GLU
CB
37.67
1
15213
10
GLU
CB
38.2
1
7032
88
GLU
CB
38.82
1
5075
95
GLU
CB
39.2
1
7235
169
GLU
CB
39.472
1
7234
169
GLU
CB
39.617
1
5799
20
GLU
CB
39.8
1
5662
24
GLU
CB
39.84
.
6840
127
GLU
CB
40
1
4186
13
GLU
CB
40.1
1
5953
116
GLU
CB
40.39
1
5954
116
GLU
CB
40.42
1
4994
25
GLU
CB
40.6
1
7260
88
GLU
CB
42.331
1
15548
62
GLU
CB
49.56
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
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
4431
94
GLU
CB
21.7
1
6586
42
GLU
CB
21.758
1
6586
79
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
15120
97
GLU
CB
23.4
.
5312
46
GLU
CB
23.6
1
6379
38
GLU
CB
23.95
1
4987
44
GLU
CB
24
1
4354
44
GLU
CB
24.113
1
5813
112
GLU
CB
24.17
1
7360
80
GLU
CB
24.296
1
4986
44
GLU
CB
24.3
1
15070
57
GLU
CB
24.33
1
6399
60
GLU
CB
24.405
1
15070
196
GLU
CB
24.43
1
5813
44
GLU
CB
24.483
1
5547
171
GLU
CB
24.5
1
5547
108
GLU
CB
24.5
1
6454
38
GLU
CB
24.6
1