GLU CB Chemical Shift Outliers

___________________________________________________
GLU CB Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
52757
29.962
18.356
49.56
1.695


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
27542
112
GLU
CB
35.0488
1
10270
90
GLU
CB
35.052
1
10332
31
GLU
CB
35.053
1
25148
74
GLU
CB
35.053
1
7170
61
GLU
CB
35.055
1
19977
49
GLU
CB
35.056
1
6086
14
GLU
CB
35.06
1
19798
12
GLU
CB
35.065
1
11184
65
GLU
CB
35.068
1
4376
45
GLU
CB
35.07
1
4376
163
GLU
CB
35.07
1
19056
90
GLU
CB
35.071
1
27687
87
GLU
CB
35.075
1
15810
48
GLU
CB
35.076
1
18860
20
GLU
CB
35.082
1
10321
86
GLU
CB
35.088
1
5377
21
GLU
CB
35.09
1
15012
63
GLU
CB
35.091
1
19056
45
GLU
CB
35.099
1
16556
26
GLU
CB
35.1
1
19461
90
GLU
CB
35.1
1
16600
224
GLU
CB
35.1
1
25768
60
GLU
CB
35.1
1
7004
26
GLU
CB
35.1
1
17577
63
GLU
CB
35.1
1
27395
108
GLU
CB
35.1
1
12018
221
GLU
CB
35.1
1
16679
158
GLU
CB
35.103
1
17493
137
GLU
CB
35.11
1
25968
87
GLU
CB
35.11132
1
18592
47
GLU
CB
35.114
1
17842
137
GLU
CB
35.118
1
16442
51
GLU
CB
35.12
1
19225
110
GLU
CB
35.12
1
18133
103
GLU
CB
35.124
1
27085
68
GLU
CB
35.125
1
10265
59
GLU
CB
35.128
1
34307
34
GLU
CB
35.129
1
6809
105
GLU
CB
35.13
.
16464
27
GLU
CB
35.13
1
16868
94
GLU
CB
35.13
1
5894
106
GLU
CB
35.13
1
4109
30
GLU
CB
35.135
1
34104
191
GLU
CB
35.14
.
11207
72
GLU
CB
35.14
1
34103
191
GLU
CB
35.14
.
11457
77
GLU
CB
35.144
1
7008
90
GLU
CB
35.145
.
15669
68
GLU
CB
35.15
1
19806
95
GLU
CB
35.16
1
25957
13
GLU
CB
35.167
1
26734
13
GLU
CB
35.167
1
34326
205
GLU
CB
35.168
.
27170
126
GLU
CB
35.17
1
19669
16
GLU
CB
35.17
1
6620
128
GLU
CB
35.17
1
27345
52
GLU
CB
35.17
1
10247
58
GLU
CB
35.177
1
15700
59
GLU
CB
35.18
1
25865
11
GLU
CB
35.184
1
10073
60
GLU
CB
35.185
1
7014
80
GLU
CB
35.189
1
27607
52
GLU
CB
35.19
1
19840
24
GLU
CB
35.193
1
19709
98
GLU
CB
35.198
1
4282
69
GLU
CB
35.2
1
4032
111
GLU
CB
35.2
1
4773
78
GLU
CB
35.2
1
5232
78
GLU
CB
35.2
1
4897
198
GLU
CB
35.2
1
5866
120
GLU
CB
35.2
1
5570
120
GLU
CB
35.2
1
4367
84
GLU
CB
35.2
1
11333
58
GLU
CB
35.201
1
6726
55
GLU
CB
35.205
1
19463
90
GLU
CB
35.217
1
16491
17
GLU
CB
35.222
1
5544
22
GLU
CB
35.25
.
27085
55
GLU
CB
35.259
1
26860
77
GLU
CB
35.261
1
15925
117
GLU
CB
35.272
1
19498
46
GLU
CB
35.276
1
6376
110
GLU
CB
35.28
1
17879
35
GLU
CB
35.281
1
26543
48
GLU
CB
35.292
1
16991
100
GLU
CB
35.293
1
26866
69
GLU
CB
35.295
1
10074
27
GLU
CB
35.298
1
25859
3
GLU
CB
35.3
1
19843
7
GLU
CB
35.3
.
16325
32
GLU
CB
35.3
1
7089
3
GLU
CB
35.3
1
15452
24
GLU
CB
35.3
1
4964
73
GLU
CB
35.3
1
6688
70
GLU
CB
35.3
1
17175
28
GLU
CB
35.3
1
17998
154
GLU
CB
35.3
1
4186
69
GLU
CB
35.3
1
17370
100
GLU
CB
35.3
1
5602
116
GLU
CB
35.301
1
19010
56
GLU
CB
35.304
1
6766
131
GLU
CB
35.306
1
16675
61
GLU
CB
35.306
1
34326
221
GLU
CB
35.307
.
6780
95
GLU
CB
35.316
1
30100
127
GLU
CB
35.318
.
5247
74
GLU
CB
35.325
1
10025
65
GLU
CB
35.329
1
26863
68
GLU
CB
35.33
1
16921
67
GLU
CB
35.334
1
4109
42
GLU
CB
35.338
1
4455
37
GLU
CB
35.34
1
7008
98
GLU
CB
35.34
.
26661
69
GLU
CB
35.347
1
18971
13
GLU
CB
35.349
1
18390
43
GLU
CB
35.351
1
7231
186
GLU
CB
35.351
1
7024
105
GLU
CB
35.364
.
16260
120
GLU
CB
35.368
1
16811
129
GLU
CB
35.37
1
27610
38
GLU
CB
35.37
1
11597
55
GLU
CB
35.372
1
19391
18
GLU
CB
35.375
1
26974
15
GLU
CB
35.376
.
6532
82
GLU
CB
35.377
.
5895
22
GLU
CB
35.38
.
26517
81
GLU
CB
35.383
1
7229
22
GLU
CB
35.396
1
25193
160
GLU
CB
35.398
1
15475
38
GLU
CB
35.4
1
4031
111
GLU
CB
35.4
1
27268
79
GLU
CB
35.4
.
26603
44
GLU
CB
35.4
1
25919
36
GLU
CB
35.401
1
11231
43
GLU
CB
35.401
1
6939
131
GLU
CB
35.401
.
30074
100
GLU
CB
35.406
1
26564
112
GLU
CB
35.407
1
17006
87
GLU
CB
35.41
1
18353
21
GLU
CB
35.416
1
6933
62
GLU
CB
35.417
1
10103
71
GLU
CB
35.42
1
11531
38
GLU
CB
35.422
.
25208
72
GLU
CB
35.431
1
6610
35
GLU
CB
35.436
1
15016
24
GLU
CB
35.448
.
10074
110
GLU
CB
35.454
1
7172
30
GLU
CB
35.455
1
25927
42
GLU
CB
35.457
1
6254
36
GLU
CB
35.46
1
15777
26
GLU
CB
35.463
1
17210
137
GLU
CB
35.469
1
17208
137
GLU
CB
35.469
1
16313
60
GLU
CB
35.47
1
10083
92
GLU
CB
35.471
1
15353
26
GLU
CB
35.472
1
30100
72
GLU
CB
35.475
.
16058
176
GLU
CB
35.479
1
30100
132
GLU
CB
35.487
.
15296
69
GLU
CB
35.49
1
17479
30
GLU
CB
35.495
1
4109
34
GLU
CB
35.495
1
25976
36
GLU
CB
35.498
1
27242
241
GLU
CB
35.5
1
4984
17
GLU
CB
35.5
1
5570
138
GLU
CB
35.5
1
17944
12
GLU
CB
35.5
1
5186
93
GLU
CB
35.5
1
11457
61
GLU
CB
35.504
1
34218
98
GLU
CB
35.506
1
6015
83
GLU
CB
35.507
1
30604
152
GLU
CB
35.511
.
27196
69
GLU
CB
35.511
1
25914
40
GLU
CB
35.512
1
16949
57
GLU
CB
35.515
1
26861
76
GLU
CB
35.516
1
15012
49
GLU
CB
35.52
1
30129
53
GLU
CB
35.528
.
18301
46
GLU
CB
35.531
1
25499
52
GLU
CB
35.532
1
17521
85
GLU
CB
35.539
1
17620
91
GLU
CB
35.543
1
17071
19
GLU
CB
35.55
1
34249
21
GLU
CB
35.564
1
19087
103
GLU
CB
35.5951
1
6769
78
GLU
CB
35.597
1
34219
98
GLU
CB
35.599
1
11182
81
GLU
CB
35.599
1
16123
69
GLU
CB
35.6
1
6126
93
GLU
CB
35.6
1
6910
103
GLU
CB
35.6
1
19627
88
GLU
CB
35.601
1
6183
335
GLU
CB
35.602
1
5627
31
GLU
CB
35.61
1
18394
70
GLU
CB
35.622
1
25267
121
GLU
CB
35.63
1
25069
69
GLU
CB
35.633
.
7339
101
GLU
CB
35.636
1
15720
101
GLU
CB
35.636
1
25994
87
GLU
CB
35.642
.
6705
72
GLU
CB
35.647
.
18169
69
GLU
CB
35.648
1
16476
50
GLU
CB
35.65
1
18464
94
GLU
CB
35.671
1
15426
192
GLU
CB
35.674
.
34088
71
GLU
CB
35.675
1
6183
334
GLU
CB
35.677
1
15652
67
GLU
CB
35.678
1
17358
90
GLU
CB
35.68
1
11062
105
GLU
CB
35.689
1
7093
3
GLU
CB
35.691
1
5866
14
GLU
CB
35.7
1
5866
56
GLU
CB
35.7
1
5866
72
GLU
CB
35.7
1
18995
21
GLU
CB
35.7
1
26717
150
GLU
CB
35.7
1
6611
98
GLU
CB
35.7
1
5838
21
GLU
CB
35.7
1
15426
70
GLU
CB
35.711
.
10270
34
GLU
CB
35.711
1
11522
209
GLU
CB
35.718
1
4239
63
GLU
CB
35.719
.
18832
40
GLU
CB
35.73
.
17280
28
GLU
CB
35.737
1
11202
67
GLU
CB
35.738
1
18109
56
GLU
CB
35.741
1
11230
64
GLU
CB
35.743
1
6927
62
GLU
CB
35.745
1
6338
18
GLU
CB
35.752
1
18013
75
GLU
CB
35.765
1
25391
72
GLU
CB
35.78
1
11215
70
GLU
CB
35.783
1
15901
69
GLU
CB
35.784
1
18602
6
GLU
CB
35.791
1
12000
36
GLU
CB
35.794
1
19806
110
GLU
CB
35.816
1
27192
37
GLU
CB
35.836
1
17599
93
GLU
CB
35.837
1
18041
101
GLU
CB
35.84
1
17169
49
GLU
CB
35.842
1
5691
33
GLU
CB
35.845
1
4065
18
GLU
CB
35.85
1
16050
68
GLU
CB
35.85
1
5736
101
GLU
CB
35.86
.
16585
75
GLU
CB
35.88
1
15232
75
GLU
CB
35.887
1
27046
83
GLU
CB
35.9
.
4773
55
GLU
CB
35.9
1
18788
75
GLU
CB
35.9
1
6448
54
GLU
CB
35.9
1
30023
25
GLU
CB
35.907
1
15779
105
GLU
CB
35.912
1
18711
57
GLU
CB
35.916
1
5794
66
GLU
CB
35.92
1
6753
13
GLU
CB
35.92
.
25748
20
GLU
CB
35.93
.
16515
66
GLU
CB
35.932
1
16520
85
GLU
CB
35.932
1
6726
96
GLU
CB
35.949
1
5596
37
GLU
CB
35.952
1
18257
131
GLU
CB
35.96
1
27022
233
GLU
CB
35.962
1
16231
10
GLU
CB
35.969
1
6620
189
GLU
CB
35.98
1
11348
127
GLU
CB
35.981
1
5233
7
GLU
CB
35.99
1
25098
15
GLU
CB
35.999
1
11254
52
GLU
CB
35.999
1
4136
25
GLU
CB
36
1
4367
61
GLU
CB
36
1
16123
67
GLU
CB
36
1
4336
96
GLU
CB
36
1
4022
117
GLU
CB
36
1
18249
127
GLU
CB
36.023
1
18231
68
GLU
CB
36.032
1
17410
59
GLU
CB
36.036
1
25776
60
GLU
CB
36.042
1
15020
110
GLU
CB
36.043
1
5067
57
GLU
CB
36.05
1
16868
74
GLU
CB
36.07
1
25728
137
GLU
CB
36.072
.
18013
73
GLU
CB
36.075
1
15477
57
GLU
CB
36.08
1
27203
63
GLU
CB
36.087
1
27602
84
GLU
CB
36.091
1
17510
100
GLU
CB
36.091
1
4336
19
GLU
CB
36.1
1
7268
78
GLU
CB
36.1
1
27050
67
GLU
CB
36.111
1
27049
67
GLU
CB
36.111
1
27541
74
GLU
CB
36.129
1
7126
73
GLU
CB
36.13
1
19482
70
GLU
CB
36.143
1
18545
68
GLU
CB
36.146
1
25041
2
GLU
CB
36.147
1
15334
98
GLU
CB
36.152
1
5128
34
GLU
CB
36.16
1
25038
2
GLU
CB
36.172
.
17412
38
GLU
CB
36.188
1
18788
73
GLU
CB
36.2
1
6250
73
GLU
CB
36.2
1
18230
68
GLU
CB
36.223
1
10188
38
GLU
CB
36.225
1
18598
28
GLU
CB
36.23
1
4678
13
GLU
CB
36.24
.
17600
67
GLU
CB
36.24
1
26010
124
GLU
CB
36.25
.
16475
146
GLU
CB
36.25
1
34088
153
GLU
CB
36.252
1
4497
62
GLU
CB
36.26
.
4599
62
GLU
CB
36.26
.
4599
132
GLU
CB
36.27
.
4497
132
GLU
CB
36.27
.
17833
111
GLU
CB
36.291
1
10006
102
GLU
CB
36.296
1
34088
153
GLU
CB
36.297
1
5505
84
GLU
CB
36.3
1
4394
40
GLU
CB
36.3
4
6447
34
GLU
CB
36.3
1
5200
73
GLU
CB
36.3
.
27381
116
GLU
CB
36.307
1
15232
73
GLU
CB
36.308
1
15901
67
GLU
CB
36.325
1
16685
127
GLU
CB
36.329
1
11099
102
GLU
CB
36.34
1
25050
8
GLU
CB
36.344
1
5058
36
GLU
CB
36.356
1
26546
48
GLU
CB
36.374
1
19156
93
GLU
CB
36.38
1
27672
208
GLU
CB
36.39
1
17829
90
GLU
CB
36.392
1
7086
82
GLU
CB
36.4
1
16310
99
GLU
CB
36.4
1
5064
53
GLU
CB
36.4
1
11180
63
GLU
CB
36.409
1
19657
13
GLU
CB
36.423
1
11112
112
GLU
CB
36.43
1
6583
69
GLU
CB
36.44
1
18905
16
GLU
CB
36.442
.
27085
69
GLU
CB
36.444
1
27170
110
GLU
CB
36.45
1
4833
63
GLU
CB
36.45
1
16585
73
GLU
CB
36.48
1
18740
49
GLU
CB
36.487
1
5298
98
GLU
CB
36.5
1
18101
69
GLU
CB
36.5
1
4099
21
GLU
CB
36.5
1
17833
110
GLU
CB
36.503
1
26691
15
GLU
CB
36.521
1
6955
45
GLU
CB
36.53
1
16430
13
GLU
CB
36.541
1
4299
134
GLU
CB
36.55
1
4300
134
GLU
CB
36.55
1
26016
71
GLU
CB
36.551
1
4239
17
GLU
CB
36.561
.
19391
20
GLU
CB
36.572
1
15939
37
GLU
CB
36.577
1
4239
62
GLU
CB
36.579
.
6251
73
GLU
CB
36.6
1
4722
61
GLU
CB
36.6
1
6282
28
GLU
CB
36.6
1
15804
145
GLU
CB
36.612
1
26985
88
GLU
CB
36.62
.
10215
19
GLU
CB
36.636
1
15426
152
GLU
CB
36.639
.
27672
217
GLU
CB
36.66
1
5866
91
GLU
CB
36.7
1
5059
46
GLU
CB
36.7
1
5866
44
GLU
CB
36.7
1
27499
70
GLU
CB
36.729
1
17866
73
GLU
CB
36.74
1
6309
32
GLU
CB
36.8
1
6769
68
GLU
CB
36.881
1
26746
208
GLU
CB
36.93
1
16837
138
GLU
CB
37.03
1
25572
108
GLU
CB
37.043
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
30100
99
GLU
CB
37.285
.
19340
71
GLU
CB
37.30763
.
16380
66
GLU
CB
37.328
1
16883
63
GLU
CB
37.38
1
25768
149
GLU
CB
37.41
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
19443
31
GLU
CB
37.45
.
4294
54
GLU
CB
37.47
1
26744
146
GLU
CB
37.534
.
26721
67
GLU
CB
37.575
.
25951
28
GLU
CB
37.61927
.
25951
28
GLU
CB
37.61927
.
5894
88
GLU
CB
37.67
1
5894
83
GLU
CB
37.67
1
25950
28
GLU
CB
37.70972
.
16516
184
GLU
CB
37.802
1
19340
63
GLU
CB
37.83676
.
27608
25
GLU
CB
38.052
.
11514
126
GLU
CB
38.161
1
15213
10
GLU
CB
38.2
1
11513
125
GLU
CB
38.23
1
11591
125
GLU
CB
38.347
1
25776
149
GLU
CB
38.415
1
18941
92
GLU
CB
38.445
1
25402
133
GLU
CB
38.446
1
17507
170
GLU
CB
38.75
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
.
27175
169
GLU
CB
39.353
1
7235
169
GLU
CB
39.472
1
16694
114
GLU
CB
39.539
.
27174
169
GLU
CB
39.568
1
18941
115
GLU
CB
39.601
1
7234
169
GLU
CB
39.617
1
16409
169
GLU
CB
39.677
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
18620
83
GLU
CB
40.517
1
4994
25
GLU
CB
40.6
1
15680
137
GLU
CB
40.754
1
15826
244
GLU
CB
40.8
1
25281
108
GLU
CB
40.88
.
18316
4
GLU
CB
40.99
1
27044
4
GLU
CB
41.206
1
25267
201
GLU
CB
41.5
1
27399
42
GLU
CB
41.92
1
7260
88
GLU
CB
42.331
1
27300
152
GLU
CB
42.633
.
15783
83
GLU
CB
43.703
.
18323
5
GLU
CB
46.749
1
27061
32
GLU
CB
47.4905
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
19063
31
GLU
CB
18.356
.
19063
27
GLU
CB
18.702
.
6586
59
GLU
CB
18.713
1
19063
72
GLU
CB
19.67
.
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
.
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
18663
132
GLU
CB
22.44
1
25793
26
GLU
CB
22.759
.
25973
64
GLU
CB
22.801
.
27859
205
GLU
CB
22.9
.
26818
93
GLU
CB
23.012
1
16884
22
GLU
CB
23.2
1
26851
211
GLU
CB
23.242
1
25972
64
GLU
CB
23.352
.
26848
211
GLU
CB
23.398
1
15120
97
GLU
CB
23.4
.
19560
244
GLU
CB
23.49
1
5312
46
GLU
CB
23.6
1
16693
24
GLU
CB
23.61
1
16114
73
GLU
CB
23.669
1
16884
10
GLU
CB
23.7
1
16713
63
GLU
CB
23.848
1
26923
292
GLU
CB
23.883
.
16887
90
GLU
CB
23.894
1
17781
28
GLU
CB
23.917
1
6379
38
GLU
CB
23.95
1
16712
63
GLU
CB
23.953
1
4987
44
GLU
CB
24
1
18373
166
GLU
CB
24.068
1
4354
44
GLU
CB
24.113
1
11133
24
GLU
CB
24.114
1
27691
178
GLU
CB
24.116
1
25761
106
GLU
CB
24.135
.
18965
4
GLU
CB
24.145
1
5813
112
GLU
CB
24.17
1
11011
112
GLU
CB
24.17
1
26966
36
GLU
CB
24.179
1
26597
69
GLU
CB
24.184
1
27246
24
GLU
CB
24.196
.
11011
44
GLU
CB
24.208
1
26851
18
GLU
CB
24.267
1
7360
80
GLU
CB
24.296
1
4986
44
GLU
CB
24.3
1
19807
51
GLU
CB
24.324
1
15070
57
GLU
CB
24.33
1
26848
18
GLU
CB
24.337
1
19476
15
GLU
CB
24.356
1
15738
47
GLU
CB
24.396
1
27573
79
GLU
CB
24.403
1
6399
60
GLU
CB
24.405
1
10273
79
GLU
CB
24.429
1
15070
196
GLU
CB
24.43
1
5813
44
GLU
CB
24.483
1
30375
203
GLU
CB
24.486
.
5547
171
GLU
CB
24.5
1
5547
108
GLU
CB
24.5
1
18373
136
GLU
CB
24.51
1
27503
117
GLU
CB
24.542
1
27527
32
GLU
CB
24.594
.
6454
38
GLU
CB
24.6
1
5712
140
GLU
CB
24.6
1
15796
58
GLU
CB
24.603
1
16940
108
GLU
CB
24.63
1
5324
140
GLU
CB
24.639
1
6542
224
GLU
CB
24.64
1
6913
69
GLU
CB
24.64
1
11136
47
GLU
CB
24.652
1
6986
84
GLU
CB
24.7
1
18741
239
GLU
CB
24.706
1
25602
14
GLU
CB
24.713
.
25109
82
GLU
CB
24.717
1
17405
17
GLU
CB
24.733
1
16940
92
GLU
CB
24.74
1
27548
44
GLU
CB
24.755
1
6807
44
GLU
CB
24.767
1
15071
196
GLU
CB
24.79
1
6912
68
GLU
CB
24.8
1
6242
73
GLU
CB
24.8
1
4040
45
GLU
CB
24.8
1
5624
120
GLU
CB
24.8
1
7084
29
GLU
CB
24.811
.
4619
6
GLU
CB
24.84
.
27122
212
GLU
CB
24.842
.
27122
277
GLU
CB
24.842
.
18217
13
GLU
CB
24.848
1
27184
106
GLU
CB
24.86
1