GLU C Chemical Shift Outliers

___________________________________________________
GLU C Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
41722
176.939
166.8
183.52
1.898


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
30273
17
GLU
C
182.637
1
26044
151
GLU
C
182.7
1
5968
60
GLU
C
182.7
1
27352
168
GLU
C
182.794
1
19800
12
GLU
C
182.812
.
19758
103
GLU
C
182.83
1
6617
172
GLU
C
182.889
1
6233
89
GLU
C
182.988
1
6705
63
GLU
C
183.52
.


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
6134
106
GLU
C
166.8
1
15128
96
GLU
C
166.914
1
5514
6
GLU
C
167.06
1
6202
177
GLU
C
167.7
1
15789
118
GLU
C
167.823
1
4259
78
GLU
C
167.9
1
16984
24
GLU
C
167.962
1
6912
68
GLU
C
168
1
6586
58
GLU
C
168.181
1
18509
78
GLU
C
168.285
1
18708
78
GLU
C
168.285
1
11125
40
GLU
C
168.51
1
5511
131
GLU
C
168.55
1
26717
150
GLU
C
168.62
1
5514
172
GLU
C
168.71
1
27019
80
GLU
C
168.93
.
26851
49
GLU
C
168.982
1
26848
49
GLU
C
169
1
6903
5
GLU
C
169.035
1
4048
26
GLU
C
169.1
1
16984
53
GLU
C
169.226
1
5514
142
GLU
C
169.25
1
16984
231
GLU
C
169.257
1
30375
57
GLU
C
169.287
.
27019
107
GLU
C
169.292
.
6058
69
GLU
C
169.3
1
4127
118
GLU
C
169.3
1
17447
153
GLU
C
169.347
1
17447
176
GLU
C
169.359
1
25995
118
GLU
C
169.491
1
15128
142
GLU
C
169.492
1
4259
54
GLU
C
169.5
1
5514
111
GLU
C
169.57
1
4908
28
GLU
C
169.64
1
16984
149
GLU
C
169.658
1
15128
35
GLU
C
169.724
1
6713
42
GLU
C
169.8
1
15770
93
GLU
C
169.9
1
5511
127
GLU
C
169.97
1
6134
38
GLU
C
170
1
6713
71
GLU
C
170
1
5514
5
GLU
C
170.02
1
16741
106
GLU
C
170.05
.
5468
192
GLU
C
170.053
1
6783
26
GLU
C
170.06
1
5514
124
GLU
C
170.06
1
16984
157
GLU
C
170.113
1
19560
144
GLU
C
170.12
1
16984
237
GLU
C
170.126
1
16984
132
GLU
C
170.128
1
16984
264
GLU
C
170.131
1
6350
2
GLU
C
170.15
1
17799
129
GLU
C
170.17
1
6904
5
GLU
C
170.18
1
17806
107
GLU
C
170.185
1
16984
26
GLU
C
170.186
1
4722
132
GLU
C
170.2
1
27859
117
GLU
C
170.2
.
19443
89
GLU
C
170.206
.
6586
59
GLU
C
170.21
1
16658
1
GLU
C
170.233
1
25995
126
GLU
C
170.241
1
25995
119
GLU
C
170.245
1
18509
21
GLU
C
170.28
1
18708
21
GLU
C
170.28
1
6058
59
GLU
C
170.3
1
26717
112
GLU
C
170.3
1
19321
1
GLU
C
170.303
1
15722
59
GLU
C
170.314
1
30469
85
GLU
C
170.329
.
26851
30
GLU
C
170.33
1
26848
30
GLU
C
170.348
1
15796
73
GLU
C
170.353
1
25665
77
GLU
C
170.367
1
30375
63
GLU
C
170.372
.
6586
14
GLU
C
170.387
1
30469
37
GLU
C
170.422
.
26851
76
GLU
C
170.428
1
11142
94
GLU
C
170.45
1
15680
254
GLU
C
170.486
1
5903
142
GLU
C
170.5
1
26985
78
GLU
C
170.5
.
4186
112
GLU
C
170.5
1
25048
17
GLU
C
170.5
1
26848
76
GLU
C
170.519
1
17806
14
GLU
C
170.538
1
17799
36
GLU
C
170.553
1
5704
60
GLU
C
170.59
1
26947
134
GLU
C
170.597
1
4722
156
GLU
C
170.6
1
5700
140
GLU
C
170.6
1
27859
236
GLU
C
170.6
.
6196
127
GLU
C
170.6
.
6195
113
GLU
C
170.6
.
15603
119
GLU
C
170.608
1
11125
64
GLU
C
170.637
1
19792
38
GLU
C
170.647
.
6536
14
GLU
C
170.655
1
6725
82
GLU
C
170.67
1
18355
72
GLU
C
170.674
1
26526
141
GLU
C
170.675
1
26528
141
GLU
C
170.675
1
15164
41
GLU
C
170.681
1
18175
8
GLU
C
170.7
1
25701
64
GLU
C
170.7
1
17774
8
GLU
C
170.7
1
5813
44
GLU
C
170.707
1
15701
62
GLU
C
170.72
1
7300
73
GLU
C
170.72
1
30469
46
GLU
C
170.726
.
15722
13
GLU
C
170.759
1
5514
132
GLU
C
170.76
1
7220
7
GLU
C
170.78
1
4722
85
GLU
C
170.8
1
4722
34
GLU
C
170.8
1
6794
97
GLU
C
170.808
1
15315
156
GLU
C
170.829
1
26848
102
GLU
C
170.849
1
16205
18
GLU
C
170.85
1
27834
60
GLU
C
170.859
1
11018
28
GLU
C
170.88
1
4722
125
GLU
C
170.9
1
26985
44
GLU
C
170.9
.
6713
47
GLU
C
170.9
1
4722
131
GLU
C
170.9
1
15128
4
GLU
C
170.911
1
5886
101
GLU
C
170.92
1
6073
55
GLU
C
170.93
.
26551
131
GLU
C
170.93
1
15128
5
GLU
C
170.95
1
11181
83
GLU
C
170.966
1
11181
88
GLU
C
170.969
1
5514
17
GLU
C
170.97
1
25851
139
GLU
C
170.972
1
16984
107
GLU
C
170.975
1
17704
9
GLU
C
170.981
1
4722
61
GLU
C
171
1
4722
33
GLU
C
171
1
4722
151
GLU
C
171
1
7054
39
GLU
C
171
1
6713
51
GLU
C
171
1
5886
39
GLU
C
171.01
1
27035
54
GLU
C
171.011
1
25923
56
GLU
C
171.027
.
16157
34
GLU
C
171.032
1
17806
74
GLU
C
171.037
1
5879
132
GLU
C
171.043
1
26745
203
GLU
C
171.044
1
17799
96
GLU
C
171.058
1
15606
41
GLU
C
171.059
1
5511
156
GLU
C
171.07
1
18509
132
GLU
C
171.084
1
18708
132
GLU
C
171.084
1
16708
136
GLU
C
171.1
1
16390
37
GLU
C
171.1
1
15738
36
GLU
C
171.101
1
18200
98
GLU
C
171.109
1
16766
68
GLU
C
171.112
1
26851
102
GLU
C
171.12
1
17692
45
GLU
C
171.122
1
5305
165
GLU
C
171.124
1
6586
42
GLU
C
171.127
1
7003
209
GLU
C
171.134
1
16204
18
GLU
C
171.138
1
15663
136
GLU
C
171.14
1
7019
97
GLU
C
171.148
1
6586
130
GLU
C
171.159
1
6794
92
GLU
C
171.165
1
16948
26
GLU
C
171.177
1
11143
96
GLU
C
171.185
1
11222
42
GLU
C
171.19
1
17447
27
GLU
C
171.193
1
6912
10
GLU
C
171.2
1
6912
83
GLU
C
171.2
1
17388
31
GLU
C
171.2
1
7383
33
GLU
C
171.2
.
4111
157
GLU
C
171.2
1
5798
79
GLU
C
171.2
1
6134
60
GLU
C
171.2
1
15268
2
GLU
C
171.203
1
11494
69
GLU
C
171.206
1
15412
41
GLU
C
171.209
1
17781
130
GLU
C
171.213
1
16205
136
GLU
C
171.214
1
15128
71
GLU
C
171.215
1
6531
4
GLU
C
171.23
.
25048
179
GLU
C
171.24
1