GLU CG Chemical Shift Outliers

___________________________________________________
GLU CG Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
22984
36.114
25.312
44.336
1.179


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
11112
24
GLU
CG
39.673
1
18824
65
GLU
CG
39.685
1
11264
85
GLU
CG
39.695
1
17298
71
GLU
CG
39.7
1
5505
90
GLU
CG
39.7
1
15663
99
GLU
CG
39.79
1
17653
29
GLU
CG
39.79
1
10067
45
GLU
CG
39.791
1
5892
42
GLU
CG
39.81
1
16389
22
GLU
CG
39.821
1
11154
30
GLU
CG
39.826
1
11099
14
GLU
CG
39.85
1
15424
95
GLU
CG
39.862
1
18825
65
GLU
CG
39.988
1
5085
49
GLU
CG
40
1
6705
102
GLU
CG
40.004
.
16445
7
GLU
CG
40.008
1
6705
63
GLU
CG
40.092
.
15369
15
GLU
CG
40.097
1
5792
95
GLU
CG
40.1
1
15090
29
GLU
CG
40.103
1
18389
101
GLU
CG
40.103
1
17838
117
GLU
CG
40.13
1
6705
61
GLU
CG
40.174
.
4879
137
GLU
CG
40.2
1
18887
59
GLU
CG
40.3
.
6876
72
GLU
CG
40.35
1
17653
47
GLU
CG
40.45
1
6705
82
GLU
CG
40.602
.
11053
118
GLU
CG
40.697
1
16567
26
GLU
CG
40.806
1
4727
86
GLU
CG
40.93
1
16111
7
GLU
CG
40.946
1
16111
45
GLU
CG
40.948
1
5894
111
GLU
CG
40.97
1
18966
87
GLU
CG
40.996
1
4497
62
GLU
CG
41.06
.
4599
62
GLU
CG
41.06
.
16958
99
GLU
CG
41.193
1
6372
119
GLU
CG
41.8
1
16958
153
GLU
CG
42.081
1
4136
14
GLU
CG
42.2
1
6807
281
GLU
CG
42.536
1
6484
78
GLU
CG
42.6
1
16058
106
GLU
CG
42.61
1
4825
63
GLU
CG
42.87
1
16992
187
GLU
CG
44.336
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
17280
89
GLU
CG
25.312
1
5992
24
GLU
CG
25.5
1
7119
118
GLU
CG
25.548
1
16005
1
GLU
CG
25.831
1
5235
87
GLU
CG
26.33
1
5404
95
GLU
CG
26.461
1
5992
66
GLU
CG
26.6
1
5594
49
GLU
CG
27
1
5189
35
GLU
CG
27.08
1
17716
29
GLU
CG
27.165
1
16350
22
GLU
CG
27.171
1
5594
48
GLU
CG
27.49
1
5973
19
GLU
CG
27.532
.
5973
87
GLU
CG
27.556
.
6904
50
GLU
CG
27.67
1
6238
26
GLU
CG
27.722
1
2802
19
GLU
CG
28.1
1
6120
107
GLU
CG
28.2
1
15483
24
GLU
CG
28.247
1
4300
134
GLU
CG
28.5
1
4299
134
GLU
CG
28.5
1
5481
23
GLU
CG
28.7
1
6766
131
GLU
CG
28.873
1
5887
42
GLU
CG
28.9
1
18473
68
GLU
CG
28.926
1
15008
4
GLU
CG
28.961
1
7093
103
GLU
CG
29.088
1
16380
82
GLU
CG
29.093
1
4599
132
GLU
CG
29.11
.
4497
132
GLU
CG
29.11
.
17443
30
GLU
CG
29.197
1
5235
64
GLU
CG
29.2
1
15487
38
GLU
CG
29.253
.
16050
60
GLU
CG
29.29
1
4722
61
GLU
CG
29.3
1
5233
7
GLU
CG
29.4
1
4394
74
GLU
CG
29.4
1
4994
26
GLU
CG
29.4
1
5127
11
GLU
CG
29.541
1
16693
22
GLU
CG
29.55
1
15793
86
GLU
CG
29.617
1
5678
11
GLU
CG
29.65
1
15939
37
GLU
CG
29.695
1
5748
18
GLU
CG
29.7
1
4294
54
GLU
CG
29.71
1
5678
19
GLU
CG
29.72
1
6769
78
GLU
CG
29.77
1
1642
29
GLU
CG
29.8
1
15345
22
GLU
CG
29.898
9
4797
134
GLU
CG
29.9
1
16693
24
GLU
CG
29.97
1
16567
65
GLU
CG
30.043
1
5324
102
GLU
CG
30.144
1
1642
6
GLU
CG
30.15
1
6904
5
GLU
CG
30.17
1
5373
102
GLU
CG
30.18
1
16693
7
GLU
CG
30.18
1
6868
43
GLU
CG
30.22
1
5404
133
GLU
CG
30.233
1
15793
88
GLU
CG
30.259
1
16884
10
GLU
CG
30.3
1
15247
70
GLU
CG
30.391
1
5678
60
GLU
CG
30.43
1
4304
47
GLU
CG
30.49
1
15016
24
GLU
CG
30.557
.
18188
132
GLU
CG
30.56
1
5894
106
GLU
CG
30.56
1
6679
15
GLU
CG
30.566
1
15955
108
GLU
CG
30.6
1
6903
50
GLU
CG
30.6822
1
18166
75
GLU
CG
30.706
1
6932
7
GLU
CG
30.73
1
17505
30
GLU
CG
30.737
1
6769
68
GLU
CG
30.75
1
16884
22
GLU
CG
30.8
1
18445
71
GLU
CG
30.8
1
5590
39
GLU
CG
30.83
1
16908
79
GLU
CG
30.878
1
17805
79
GLU
CG
30.878
1
17261
44
GLU
CG
30.9
1
7260
96
GLU
CG
30.95
1
7119
88
GLU
CG
30.959
1
5103
40
GLU
CG
31
1
5373
114
GLU
CG
31.01
1
18663
132
GLU
CG
31.014
1
17813
38
GLU
CG
31.019
.
11102
51
GLU
CG
31.022
1
17258
39
GLU
CG
31.053
1
17974
82
GLU
CG
31.069
1
15578
301
GLU
CG
31.069
1
15120
115
GLU
CG
31.07
.
18027
140
GLU
CG
31.08
1
15722
13
GLU
CG
31.092
1
5998
12
GLU
CG
31.1
1
16884
7
GLU
CG
31.1
1
5931
3
GLU
CG
31.119
1
15793
62
GLU
CG
31.139
1
18954
41
GLU
CG
31.141
1
17792
13
GLU
CG
31.17
1
16964
87
GLU
CG
31.2
1
1642
38
GLU
CG
31.2
1
4384
150
GLU
CG
31.207
1
5678
140
GLU
CG
31.21
1
16440
140
GLU
CG
31.235
1
16034
33
GLU
CG
31.245
1
18292
20
GLU
CG
31.247
1
7339
166
GLU
CG
31.264
1
15720
166
GLU
CG
31.264
1
4445
91
GLU
CG
31.281
1
1642
42
GLU
CG
31.3
1
5389
28
GLU
CG
31.3
1
5061
87
GLU
CG
31.3
1
15793
49
GLU
CG
31.32
1
15204
5
GLU
CG
31.32
1
5894
88
GLU
CG
31.33
1
5894
83
GLU
CG
31.33
1
6645
50
GLU
CG
31.35
1
16611
5
GLU
CG
31.37
1
5992
11
GLU
CG
31.4
1
5992
47
GLU
CG
31.4
1
6709
42
GLU
CG
31.41
1
5678
73
GLU
CG
31.42
1
6699
35
GLU
CG
31.43
1
15279
43
GLU
CG
31.5
1
6769
61
GLU
CG
31.506
1
18568
9
GLU
CG
31.51
1
6531
27
GLU
CG
31.523
.
11101
40
GLU
CG
31.538
1
16666
15
GLU
CG
31.54
1
15938
42
GLU
CG
31.562
1
5894
112
GLU
CG
31.57
1
5680
87
GLU
CG
31.574
1
5894
102
GLU
CG
31.58
1
507
43
GLU
CG
31.6
1
6904
10
GLU
CG
31.62
1
11138
71
GLU
CG
31.62
1
16670
52
GLU
CG
31.633
1
15010
46
GLU
CG
31.649
1
18027
114
GLU
CG
31.651
1
5590
98
GLU
CG
31.66
1
7241
12
GLU
CG
31.66
1
11041
12
GLU
CG
31.664
1
11104
30
GLU
CG
31.671
1
7267
39
GLU
CG
31.673
1
7250
39
GLU
CG
31.673
1
7275
39
GLU
CG
31.673
1
5187
92
GLU
CG
31.68
1
16213
161
GLU
CG
31.685
1
5946
14
GLU
CG
31.7
1
6903
10
GLU
CG
31.744
1
17258
36
GLU
CG
31.756
1
19034
46
GLU
CG
31.764
.
15231
5
GLU
CG
31.766
1
7247
11
GLU
CG
31.781
1
15621
1
GLU
CG
31.8
1
1375
25
GLU
CG
31.8
1
16658
5
GLU
CG
31.812
1
18709
68
GLU
CG
31.825
1
16689
24
GLU
CG
31.828
1
5894
95
GLU
CG
31.83
1
17443
61
GLU
CG
31.847
1
15796
40
GLU
CG
31.851
1
15249
64
GLU
CG
31.852
1
17526
81
GLU
CG
31.862
1
17523
49
GLU
CG
31.875
1
4849
137
GLU
CG
31.9
1
17443
146
GLU
CG
31.909
1
7116
49
GLU
CG
31.91
1
16703
1
GLU
CG
31.921
1
16370
11
GLU
CG
31.923
1
16880
9
GLU
CG
31.949
1
16362
38
GLU
CG
31.959
1
15212
64
GLU
CG
31.96
1
19433
86
GLU
CG
31.96
1
6553
49
GLU
CG
31.97
.
17479
170
GLU
CG
31.982
1
16568
59
GLU
CG
31.988
1
15315
41
GLU
CG
31.998
1
6972
26
GLU
CG
32
1
5590
46
GLU
CG
32
1
4797
40
GLU
CG
32
1
17780
79
GLU
CG
32.002
1
18711
57
GLU
CG
32.017
1
18550
84
GLU
CG
32.042
1
6073
95
GLU
CG
32.07
.
6699
17
GLU
CG
32.071
1
17127
50
GLU
CG
32.073
1
19033
58
GLU
CG
32.08
.
4942
62
GLU
CG
32.08
1
15008
46
GLU
CG
32.086
1
6531
70
GLU
CG
32.098
.
11222
34
GLU
CG
32.106
1
5786
124
GLU
CG
32.11
1
17744
50
GLU
CG
32.118
1
17727
50
GLU
CG
32.118
.
6560
81
GLU
CG
32.12
.
7241
52
GLU
CG
32.12
1
6560
57
GLU
CG
32.12
.
17714
84
GLU
CG
32.121
1
17806
85
GLU
CG
32.127
1
15212
6
GLU
CG
32.13
1
7019
27
GLU
CG
32.155
1
4901
8
GLU
CG
32.17
1
18568
15
GLU
CG
32.182
1
18389
14
GLU
CG
32.182
1
6004
162
GLU
CG
32.2
1
4036
96
GLU
CG
32.2
1
6207
74
GLU
CG
32.2
1
5590
62
GLU
CG
32.21
1
15212
9
GLU
CG
32.22
1
19033
54
GLU
CG
32.226
.
16630
38
GLU
CG
32.229
1
15722
65
GLU
CG
32.232
1
18627
140
GLU
CG
32.24
1
15927
39
GLU
CG
32.248
1
5373
66
GLU
CG
32.25
1
7247
44
GLU
CG
32.251
1
15722
75
GLU
CG
32.251
1
7124
14
GLU
CG
32.26
1
15407
40
GLU
CG
32.271
1
17993
26
GLU
CG
32.28
1
16362
61
GLU
CG
32.294
1
6003
23
GLU
CG
32.297
1
4317
26
GLU
CG
32.3
1
6553
81
GLU
CG
32.3
.
5866
72
GLU
CG
32.33
1
17479
84
GLU
CG
32.332
1
4375
64
GLU
CG
32.337
1
4375
16
GLU
CG
32.337
1
4375
34
GLU
CG
32.337
1
4375
51
GLU
CG
32.337
1
15120
50
GLU
CG
32.34
.
1061
111
GLU
CG
32.35
1
1062
110
GLU
CG
32.35
1
18568
8
GLU
CG
32.367
1
15578
233
GLU
CG
32.377
1
15009
46
GLU
CG
32.379
1
6787
116
GLU
CG
32.38
1
11134
34
GLU
CG
32.381
1
6484
93
GLU
CG
32.39
1
6484
73
GLU
CG
32.39
1
7116
46
GLU
CG
32.4
1
6052
31
GLU
CG
32.4
1
4858
90
GLU
CG
32.4
1
16002
81
GLU
CG
32.41
1
11031
54
GLU
CG
32.41
1
19198
59
GLU
CG
32.416
1
11143
79
GLU
CG
32.431
1
17477
64
GLU
CG
32.445
1
7116
30
GLU
CG
32.46
1
15694
26
GLU
CG
32.464
1
6531
40
GLU
CG
32.473
.
15315
60
GLU
CG
32.481
1
5242
32
GLU
CG
32.485
1
4869
71
GLU
CG
32.5
1
15662
177
GLU
CG
32.5
1
4870
22
GLU
CG
32.5
1
4787
108
GLU
CG
32.5
1
4787
104
GLU
CG
32.5
1
15662
173
GLU
CG
32.5
1
15933
39
GLU
CG
32.508
1
10118
74
GLU
CG
32.511
1
6903
65
GLU
CG
32.5116
1
16632
14
GLU
CG
32.521
1
18218
19
GLU
CG
32.529
1
7360
7
GLU
CG
32.536
1
15407
37
GLU
CG
32.539
1
17579
36
GLU
CG
32.541
1
16269
41
GLU
CG
32.554
1
17993
7
GLU
CG
32.56
1
18227
3
GLU
CG
32.565
1