GLU HB3 Chemical Shift Outliers

___________________________________________________
GLU HB3 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
26311
1.996
.339
3.467
0.217


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
16874
104
GLU
HB3
2.649
2
4163
28
GLU
HB3
2.65
1
4935
52
GLU
HB3
2.65
1
4378
168
GLU
HB3
2.65
2
4739
66
GLU
HB3
2.65
2
15229
126
GLU
HB3
2.651
.
17353
104
GLU
HB3
2.652
2
6079
2
GLU
HB3
2.659
1
4210
10
GLU
HB3
2.66
1
6866
54
GLU
HB3
2.666
2
4918
14
GLU
HB3
2.67
2
5273
5
GLU
HB3
2.67
2
18000
87
GLU
HB3
2.67
2
5678
73
GLU
HB3
2.67
1
18832
27
GLU
HB3
2.673
.
6903
5
GLU
HB3
2.674
1
17264
120
GLU
HB3
2.679
2
1672
81
GLU
HB3
2.68
2
5798
79
GLU
HB3
2.68
2
4378
120
GLU
HB3
2.68
2
1138
20
GLU
HB3
2.68
2
17850
32
GLU
HB3
2.682
2
17850
105
GLU
HB3
2.687
2
5156
44
GLU
HB3
2.69
2
5156
19
GLU
HB3
2.69
2
15133
51
GLU
HB3
2.69
2
5912
56
GLU
HB3
2.694
2
4159
38
GLU
HB3
2.695
1
5166
53
GLU
HB3
2.696
1
18661
8
GLU
HB3
2.697
1
10118
74
GLU
HB3
2.699
1
6367
41
GLU
HB3
2.7
1
6341
83
GLU
HB3
2.7
2
4832
12
GLU
HB3
2.7
.
3471
101
GLU
HB3
2.7
1
2049
23
GLU
HB3
2.704
2
17813
60
GLU
HB3
2.708
.
15229
64
GLU
HB3
2.709
.
11313
39
GLU
HB3
2.709
2
4045
56
GLU
HB3
2.71
2
5577
79
GLU
HB3
2.711
.
17274
70
GLU
HB3
2.718
2
18526
19
GLU
HB3
2.719
2
17512
93
GLU
HB3
2.72
.
16348
120
GLU
HB3
2.72
2
6297
18
GLU
HB3
2.722
2
18046
28
GLU
HB3
2.73
2
6272
120
GLU
HB3
2.73
1
11299
10
GLU
HB3
2.733
2
6949
34
GLU
HB3
2.74
2
4879
137
GLU
HB3
2.74
2
5156
44
GLU
HB3
2.74
2
11299
34
GLU
HB3
2.744
1
17412
104
GLU
HB3
2.745
2
4913
89
GLU
HB3
2.746
1
5799
87
GLU
HB3
2.75
2
17849
67
GLU
HB3
2.753
2
11298
18
GLU
HB3
2.756
2
16708
121
GLU
HB3
2.76
1
15762
94
GLU
HB3
2.761
2
11298
15
GLU
HB3
2.768
2
15770
100
GLU
HB3
2.77
2
5991
62
GLU
HB3
2.77
2
15770
100
GLU
HB3
2.77
2
18905
16
GLU
HB3
2.782
.
4378
84
GLU
HB3
2.79
2
4988
11
GLU
HB3
2.79
2
17850
68
GLU
HB3
2.795
2
16440
140
GLU
HB3
2.799
2
6517
57
GLU
HB3
2.8
2
18302
31
GLU
HB3
2.8
1
15229
13
GLU
HB3
2.809
.
11298
25
GLU
HB3
2.812
2
4832
32
GLU
HB3
2.82
.
11299
40
GLU
HB3
2.82
2
5820
51
GLU
HB3
2.83
.
6359
33
GLU
HB3
2.835
2
16365
89
GLU
HB3
2.84
2
15229
32
GLU
HB3
2.845
.
11298
45
GLU
HB3
2.845
2
11298
46
GLU
HB3
2.847
2
5506
5
GLU
HB3
2.85
1
6265
31
GLU
HB3
2.86
2
4832
40
GLU
HB3
2.87
.
11298
17
GLU
HB3
2.872
1
17849
104
GLU
HB3
2.879
2
15094
90
GLU
HB3
2.88
1
4832
20
GLU
HB3
2.88
.
4052
75
GLU
HB3
2.9
.
5346
5
GLU
HB3
2.9
1
1875
75
GLU
HB3
2.9
1
18013
75
GLU
HB3
2.907
2
5866
34
GLU
HB3
2.91
1
495
75
GLU
HB3
2.91
1
4402
148
GLU
HB3
2.92
2
4136
25
GLU
HB3
2.92
2
15802
39
GLU
HB3
2.928
2
16585
75
GLU
HB3
2.93
2
18788
75
GLU
HB3
2.93
2
17822
144
GLU
HB3
2.937
2
5946
53
GLU
HB3
2.94
1
11299
24
GLU
HB3
2.954
2
16743
79
GLU
HB3
2.967
2
4305
72
GLU
HB3
2.97
1
18663
132
GLU
HB3
2.997
2
15210
17
GLU
HB3
3
2
5748
18
GLU
HB3
3.01
1
17280
136
GLU
HB3
3.037
2
4620
50
GLU
HB3
3.04
2
5361
18
GLU
HB3
3.04
2
4379
50
GLU
HB3
3.04
2
16653
87
GLU
HB3
3.045
2
17642
12
GLU
HB3
3.0811
2
7287
2
GLU
HB3
3.094
1
15247
70
GLU
HB3
3.102
2
15025
1
GLU
HB3
3.113
.
5798
60
GLU
HB3
3.12
2
4434
81
GLU
HB3
3.13
2
17493
86
GLU
HB3
3.18
2
6499
1
GLU
HB3
3.2
2
18389
101
GLU
HB3
3.276
2
5373
4
GLU
HB3
3.33
1
18966
87
GLU
HB3
3.467
2


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
6338
12
GLU
HB3
.339
2
11113
28
GLU
HB3
.35
2
11321
43
GLU
HB3
.406
1
4290
38
GLU
HB3
.44
1
11253
44
GLU
HB3
.44
2
11354
28
GLU
HB3
.479
2
1516
14
GLU
HB3
.5
1
11352
28
GLU
HB3
.501
2
16883
15
GLU
HB3
.507
2
5873
74
GLU
HB3
.52
2
15938
50
GLU
HB3
.5215
2
15752
31
GLU
HB3
.556
.
6811
61
GLU
HB3
.6
.
17950
36
GLU
HB3
.607
.
18856
87
GLU
HB3
.625
.
11353
18
GLU
HB3
.631
2
6454
160
GLU
HB3
.65
2
10115
56
GLU
HB3
.658
2
15431
78
GLU
HB3
.66
2
11099
62
GLU
HB3
.665
2
4321
51
GLU
HB3
.67
2
17830
77
GLU
HB3
.674
2
11333
47
GLU
HB3
.677
2
6503
3
GLU
HB3
.684
2
2024
50
GLU
HB3
.69
2
15700
48
GLU
HB3
.698
2
16653
118
GLU
HB3
.6995
2
4112
4
GLU
HB3
.71
1
15469
110
GLU
HB3
.71
2
5782
48
GLU
HB3
.713
2
6724
68
GLU
HB3
.729
.
11101
15
GLU
HB3
.73
2
10306
15
GLU
HB3
.73
2
18653
21
GLU
HB3
.739
1
15480
51
GLU
HB3
.744
2
6604
3
GLU
HB3
.748
2
3078
50
GLU
HB3
.75
2
17165
51
GLU
HB3
.754
1
5782
48
GLU
HB3
.755
2
11319
53
GLU
HB3
.76
2
4574
78
GLU
HB3
.76
1
16157
34
GLU
HB3
.777
1
16613
96
GLU
HB3
.795
2
15618
96
GLU
HB3
.795
2
18954
41
GLU
HB3
.799
1
15263
26
GLU
HB3
.8
2
18425
46
GLU
HB3
.801
2
19169
49
GLU
HB3
.801
2
18917
76
GLU
HB3
.806
2
7094
26
GLU
HB3
.818
2
15821
17
GLU
HB3
.832
2
4333
51
GLU
HB3
.833
2
17943
90
GLU
HB3
.84
2
4686
19
GLU
HB3
.84
2
15851
85
GLU
HB3
.84
2
17745
94
GLU
HB3
.84
2
17521
103
GLU
HB3
.843
2
17783
46
GLU
HB3
.845
2
4333
64
GLU
HB3
.857
2
17152
18
GLU
HB3
.858
2
17505
30
GLU
HB3
.859
2
11312
14
GLU
HB3
.861
2
18098
37
GLU
HB3
.866
1
18874
22
GLU
HB3
.876
2
11088
44
GLU
HB3
.876
2
5595
130
GLU
HB3
.89
2
6083
12
GLU
HB3
.89
2
7210
22
GLU
HB3
.897
2
5189
43
GLU
HB3
.9
1
5391
74
GLU
HB3
.93
.
4241
11
GLU
HB3
.935
1
17191
121
GLU
HB3
.946
2
16587
51
GLU
HB3
.95
2
6841
27
GLU
HB3
.954
.
17405
17
GLU
HB3
.956
2
18507
26
GLU
HB3
.957
2
5061
87
GLU
HB3
.96
2
10108
37
GLU
HB3
.96
2
6529
48
GLU
HB3
.974
2
7224
45
GLU
HB3
.98
2
18228
136
GLU
HB3
.987
2
11065
98
GLU
HB3
.989
2
18047
116
GLU
HB3
.991
2
16263
49
GLU
HB3
.991
.
18806
64
GLU
HB3
1.008
2
5100
42
GLU
HB3
1.01
1
7034
41
GLU
HB3
1.01
.
10213
40
GLU
HB3
1.014
2
10253
111
GLU
HB3
1.022
2
6134
18
GLU
HB3
1.03
1
11365
57
GLU
HB3
1.039
2
6259
41
GLU
HB3
1.049
1
6603
20
GLU
HB3
1.05
2
6882
25
GLU
HB3
1.059
2
4060
144
GLU
HB3
1.07
2
10131
24
GLU
HB3
1.072
2
15795
61
GLU
HB3
1.073
2
18663
99
GLU
HB3
1.078
2
15286
53
GLU
HB3
1.079
2
7260
43
GLU
HB3
1.08
2
11516
17
GLU
HB3
1.084
2
5899
46
GLU
HB3
1.088
.
10149
79
GLU
HB3
1.09
2
11138
71
GLU
HB3
1.092
2
11293
40
GLU
HB3
1.093
2
17494
27
GLU
HB3
1.096
2
19044
86
GLU
HB3
1.1
2
5628
140
GLU
HB3
1.1
2
7298
71
GLU
HB3
1.101
2
10109
15
GLU
HB3
1.101
2
6726
62
GLU
HB3
1.114
2
11130
22
GLU
HB3
1.116
2
11323
35
GLU
HB3
1.119
2
16689
44
GLU
HB3
1.12
2
4902
2
GLU
HB3
1.12
1
15128
71
GLU
HB3
1.123
2
17124
12
GLU
HB3
1.125
2
15964
80
GLU
HB3
1.13
2
18673
56
GLU
HB3
1.13
2
16007
41
GLU
HB3
1.136
2
11102
51
GLU
HB3
1.14
2
4818
142
GLU
HB3
1.14
1
15469
27
GLU
HB3
1.148
2
15469
111
GLU
HB3
1.148
2
6391
103
GLU
HB3
1.15
1
16708
31
GLU
HB3
1.15
1
16681
48
GLU
HB3
1.151
2
16723
27
GLU
HB3
1.154
2
15618
97
GLU
HB3
1.157
2
4722
59
GLU
HB3
1.16
1
133
46
GLU
HB3
1.16
1
17447
93
GLU
HB3
1.16
2
17831
77
GLU
HB3
1.164
2
6287
41
GLU
HB3
1.168
2
18415
28
GLU
HB3
1.171
1
11101
40
GLU
HB3
1.173
2
10280
44
GLU
HB3
1.173
2
10251
13
GLU
HB3
1.176
2
16722
27
GLU
HB3
1.176
2
15845
28
GLU
HB3
1.178
2
16613
97
GLU
HB3
1.178
2
15618
13
GLU
HB3
1.18
2
16708
106
GLU
HB3
1.18
2
10250
35
GLU
HB3
1.181
2
10264
90
GLU
HB3
1.185
2
16620
37
GLU
HB3
1.185
2
19230
14
GLU
HB3
1.189
2
6781
84
GLU
HB3
1.19
1
4446
62
GLU
HB3
1.19
.
4878
35
GLU
HB3
1.19
2
7172
36
GLU
HB3
1.192
2
15457
60
GLU
HB3
1.193
1
4734
51
GLU
HB3
1.2
2
4755
18
GLU
HB3
1.2
1
19034
65
GLU
HB3
1.202
.
7312
23
GLU
HB3
1.204
1
17191
51
GLU
HB3
1.205
2
6003
122
GLU
HB3
1.208
2
15127
21
GLU
HB3
1.21
2
4370
50
GLU
HB3
1.21
2
4299
61
GLU
HB3
1.21
2
4300
61
GLU
HB3
1.21
2
4340
79
GLU
HB3
1.21
1
10222
17
GLU
HB3
1.211
2
16720
28
GLU
HB3
1.212
2
6563
99
GLU
HB3
1.213
2
18627
120
GLU
HB3
1.217
2
4920
80
GLU
HB3
1.218
1
6075
99
GLU
HB3
1.22
1
6371
54
GLU
HB3
1.22
2
17191
92
GLU
HB3
1.221
2
11104
30
GLU
HB3
1.222
2
11218
53
GLU
HB3
1.228
2
10170
17
GLU
HB3
1.231
2
19001
138
GLU
HB3
1.232
9
19203
79
GLU
HB3
1.234
2
10206
17
GLU
HB3
1.234
2
16205
128
GLU
HB3
1.234
2
10217
15
GLU
HB3
1.235
2
10307
17
GLU
HB3
1.235
1
10074
27
GLU
HB3
1.237
2
16790
86
GLU
HB3
1.238
2
10305
17
GLU
HB3
1.241
1
15534
44
GLU
HB3
1.244
2
11239
17
GLU
HB3
1.245
1
16840
93
GLU
HB3
1.247
2
17524
65
GLU
HB3
1.247
2
10196
17
GLU
HB3
1.248
1
4902
21
GLU
HB3
1.25
2
4902
100
GLU
HB3
1.25
1
4091
86
GLU
HB3
1.25
1
18107
57
GLU
HB3
1.251
2
17213
28
GLU
HB3
1.255
2
17084
28
GLU
HB3
1.255
2
17087
28
GLU
HB3
1.255
2
17831
115
GLU
HB3
1.256
2
11168
17
GLU
HB3
1.258
1
10233
17
GLU
HB3
1.258
2
10184
17
GLU
HB3
1.258
2
5622
29
GLU
HB3
1.26
1
4407
58
GLU
HB3
1.26
2
4514
37
GLU
HB3
1.26
.
5822
120
GLU
HB3
1.26
2
4833
9
GLU
HB3
1.26
2
5823
238
GLU
HB3
1.26
2
10006
59
GLU
HB3
1.261
2
5205
3
GLU
HB3
1.263
.
15240
109
GLU
HB3
1.267
2
17150
93
GLU
HB3
1.268
2
4335
32
GLU
HB3
1.27
1
4335
152
GLU
HB3
1.27
2
11125
49
GLU
HB3
1.271
2
10264
31
GLU
HB3
1.275
2
11295
134
GLU
HB3
1.275
2
17081
28
GLU
HB3
1.276
2
16184
28
GLU
HB3
1.276
2
10178
17
GLU
HB3
1.276
2
16874
67
GLU
HB3
1.277
2
10229
15
GLU
HB3
1.277
2
16185
28
GLU
HB3
1.278
2
10221
17
GLU
HB3
1.279
2
18320
135
GLU
HB3
1.279
2
16050
68
GLU
HB3
1.28
2
4259
74
GLU
HB3
1.28
1
11088
46
GLU
HB3
1.28
2
11385
17
GLU
HB3
1.283
2
10169
17
GLU
HB3
1.285
2
10188
17
GLU
HB3
1.286
1
11136
45
GLU
HB3
1.286
2
11381
15
GLU
HB3
1.287
2
17028
79
GLU
HB3
1.288
2
10156
17
GLU
HB3
1.288
1
16009
14
GLU
HB3
1.288
2
19168
68
GLU
HB3
1.288
2
5602
84
GLU
HB3
1.289
1
17082
28
GLU
HB3
1.29
2
10205
17
GLU
HB3
1.29
1
5862
82
GLU
HB3
1.29
1
15804
41
GLU
HB3
1.291
2
15057
60
GLU
HB3
1.291
1
17725
15
GLU
HB3
1.292
1
16934
40
GLU
HB3
1.295
2
17612
28
GLU
HB3
1.295
2
10234
17
GLU
HB3
1.296
1
17352
98
GLU
HB3
1.296
.
18735
55
GLU
HB3
1.296
2
11109
31
GLU
HB3
1.296
2
11167
17
GLU
HB3
1.297
2
18539
63
GLU
HB3
1.298
1
10174
17
GLU
HB3
1.299
1
17174
28
GLU
HB3
1.299
2
6372
119
GLU
HB3
1.3
2
15824
28
GLU
HB3
1.3
2
5933
34
GLU
HB3
1.3
1
11238
15
GLU
HB3
1.302
1
11308
38
GLU
HB3
1.302
2
6031
7
GLU
HB3
1.303
2
10270
61
GLU
HB3
1.303
2
16653
117
GLU
HB3
1.304
2
6147
100
GLU
HB3
1.307
1
6383
28
GLU
HB3
1.31
2
5373
56
GLU
HB3
1.31
1
17160
33
GLU
HB3
1.31
2
10223
17
GLU
HB3
1.313
1
10230
17
GLU
HB3
1.313
2
6507
103
GLU
HB3
1.314
.
18292
20
GLU
HB3
1.314
2
11165
15
GLU
HB3
1.317
2
7209
80
GLU
HB3
1.32
2
11319
59
GLU
HB3
1.32
2
10191
17
GLU
HB3
1.32
1
5115
41
GLU
HB3
1.32
2
6378
28
GLU
HB3
1.32
2
17830
115
GLU
HB3
1.32
2
18492
33
GLU
HB3
1.321
2
6479
13
GLU
HB3
1.322
2
16025
2
GLU
HB3
1.323
1
6777
45
GLU
HB3
1.323
1
16476
50
GLU
HB3
1.327
2
11170
17
GLU
HB3
1.327
2
10208
17
GLU
HB3
1.328
1
11205
51
GLU
HB3
1.329
1
16373
10
GLU
HB3
1.329
2
15296
69
GLU
HB3
1.33
1
6564
76
GLU
HB3
1.33
2
6381
28
GLU
HB3
1.33
2
10177
17
GLU
HB3
1.33
1
5578
72
GLU
HB3
1.33
.
7053
65
GLU
HB3
1.33
2
11138
45
GLU
HB3
1.332
2
18111
6
GLU
HB3
1.332
2
10183
17
GLU
HB3
1.333
1
11393
17
GLU
HB3
1.333
1
15578
346
GLU
HB3
1.334
2
10199
17
GLU
HB3
1.335
2
11387
17
GLU
HB3
1.336
1
5060
90
GLU
HB3
1.34
2
18166
75
GLU
HB3
1.34
2
11386
17
GLU
HB3
1.34
1
11094
44
GLU
HB3
1.34
2
11395
17
GLU
HB3
1.341
1
10173
17
GLU
HB3
1.342
1
5205
25
GLU
HB3
1.342
.
18669
36
GLU
HB3
1.342
2
18015
63
GLU
HB3
1.342
2
18545
68
GLU
HB3
1.343
2
10186
17
GLU
HB3
1.344
1
11383
17
GLU
HB3
1.344
2