GLU HB2 Chemical Shift Outliers

___________________________________________________
GLU HB2 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
14620
2.032
.34
3.44
0.210


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
5071
68
GLU
HB2
2.67
1
6395
29
GLU
HB2
2.67
2
6395
29
GLU
HB2
2.67
2
6023
67
GLU
HB2
2.67
2
4160
17
GLU
HB2
2.68
1
6125
9
GLU
HB2
2.68
2
5709
15
GLU
HB2
2.68
1
15369
167
GLU
HB2
2.687
2
4116
41
GLU
HB2
2.69
1
5105
57
GLU
HB2
2.69
2
6883
161
GLU
HB2
2.696
2
3471
101
GLU
HB2
2.7
1
6159
57
GLU
HB2
2.7
2
15229
64
GLU
HB2
2.709
.
4294
54
GLU
HB2
2.71
2
5324
124
GLU
HB2
2.711
2
5973
87
GLU
HB2
2.718
.
15097
28
GLU
HB2
2.72
2
4648
93
GLU
HB2
2.72
.
4980
10
GLU
HB2
2.72
2
15608
70
GLU
HB2
2.723
2
6727
20
GLU
HB2
2.729
2
6272
120
GLU
HB2
2.73
1
6080
121
GLU
HB2
2.738
4
1138
20
GLU
HB2
2.74
2
5770
31
GLU
HB2
2.74
2
6903
5
GLU
HB2
2.7428
1
4116
14
GLU
HB2
2.76
1
6313
98
GLU
HB2
2.77
2
5361
18
GLU
HB2
2.77
2
6621
62
GLU
HB2
2.78
2
4994
25
GLU
HB2
2.79
1
15229
27
GLU
HB2
2.803
.
4136
14
GLU
HB2
2.81
2
5298
66
GLU
HB2
2.81
2
5275
168
GLU
HB2
2.81
2
4832
12
GLU
HB2
2.81
.
4080
56
GLU
HB2
2.81
2
6693
11
GLU
HB2
2.819
2
5009
70
GLU
HB2
2.819
.
4832
32
GLU
HB2
2.82
.
4913
89
GLU
HB2
2.823
1
7241
6
GLU
HB2
2.83
2
5105
62
GLU
HB2
2.83
2
5185
32
GLU
HB2
2.83
2
4159
38
GLU
HB2
2.838
1
15229
32
GLU
HB2
2.845
.
5872
53
GLU
HB2
2.87
2
4832
20
GLU
HB2
2.88
.
6023
31
GLU
HB2
2.89
2
4091
99
GLU
HB2
2.9
2
1875
75
GLU
HB2
2.9
1
5346
5
GLU
HB2
2.9
1
15229
13
GLU
HB2
2.903
.
5194
117
GLU
HB2
2.91
2
5866
34
GLU
HB2
2.91
1
495
75
GLU
HB2
2.91
1
6079
2
GLU
HB2
2.921
1
5946
53
GLU
HB2
2.94
1
5771
2
GLU
HB2
2.95
1
4210
10
GLU
HB2
2.96
1
5232
184
GLU
HB2
2.96
2
4305
72
GLU
HB2
2.97
1
15025
1
GLU
HB2
2.975
.
4832
40
GLU
HB2
3
.
15210
17
GLU
HB2
3
2
4402
148
GLU
HB2
3.01
2
6612
52
GLU
HB2
3.01
.
5748
18
GLU
HB2
3.01
1
15094
90
GLU
HB2
3.03
1
7287
2
GLU
HB2
3.094
1
5094
60
GLU
HB2
3.1
.
15247
70
GLU
HB2
3.117
2
6122
43
GLU
HB2
3.138
2
4379
50
GLU
HB2
3.16
2
4620
50
GLU
HB2
3.16
2
4434
81
GLU
HB2
3.21
2
6499
1
GLU
HB2
3.24
2
5373
4
GLU
HB2
3.33
1
15010
74
GLU
HB2
3.349
2
6743
54
GLU
HB2
3.44
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
7209
80
GLU
HB2
.34
2
7286
127
GLU
HB2
.373
2
7210
22
GLU
HB2
.429
2
5036
19
GLU
HB2
.48
.
1516
14
GLU
HB2
.5
1
5115
41
GLU
HB2
.51
2
5849
48
GLU
HB2
.53
.
5846
34
GLU
HB2
.53
2
5912
62
GLU
HB2
.54
2
4304
28
GLU
HB2
.58
2
15072
76
GLU
HB2
.62
2
6564
76
GLU
HB2
.62
2
4833
63
GLU
HB2
.64
1
6503
3
GLU
HB2
.668
2
5784
51
GLU
HB2
.735
2
6604
3
GLU
HB2
.736
2
5169
51
GLU
HB2
.744
1
5783
51
GLU
HB2
.751
2
4574
78
GLU
HB2
.76
1
5013
16
GLU
HB2
.76
1
15167
6
GLU
HB2
.8
2
6391
103
GLU
HB2
.8
1
5933
34
GLU
HB2
.83
1
6003
122
GLU
HB2
.904
2
7094
26
GLU
HB2
.917
2
6073
77
GLU
HB2
.93
.
15120
115
GLU
HB2
.96
.
6690
80
GLU
HB2
.968
2
6288
51
GLU
HB2
.976
.
4112
4
GLU
HB2
.99
1
5225
14
GLU
HB2
1
2
2024
50
GLU
HB2
1.01
2
5100
42
GLU
HB2
1.01
1
7034
41
GLU
HB2
1.01
.
4686
38
GLU
HB2
1.02
2
4233
26
GLU
HB2
1.0295
2
6341
141
GLU
HB2
1.044
2
5873
74
GLU
HB2
1.07
2
4290
38
GLU
HB2
1.09
1
4900
12
GLU
HB2
1.11
2
5627
108
GLU
HB2
1.12
2
4902
2
GLU
HB2
1.12
1
6603
20
GLU
HB2
1.126
2
5000
58
GLU
HB2
1.13
1
6847
20
GLU
HB2
1.133
2
7004
59
GLU
HB2
1.14
2
4333
51
GLU
HB2
1.148
2
133
46
GLU
HB2
1.16
1
4722
59
GLU
HB2
1.16
1
4491
27
GLU
HB2
1.17
2
4140
27
GLU
HB2
1.17
2
6213
39
GLU
HB2
1.181
2
6338
12
GLU
HB2
1.185
2
4294
45
GLU
HB2
1.19
2
5275
64
GLU
HB2
1.195
1
15240
109
GLU
HB2
1.196
2
15167
71
GLU
HB2
1.2
2
6454
160
GLU
HB2
1.2
2
5529
24
GLU
HB2
1.214
.
4638
23
GLU
HB2
1.215
.
15315
88
GLU
HB2
1.226
2
4091
86
GLU
HB2
1.25
1
4902
100
GLU
HB2
1.25
1
7266
67
GLU
HB2
1.26
2
5786
113
GLU
HB2
1.26
1
4122
39
GLU
HB2
1.27
2
4335
32
GLU
HB2
1.27
1
5078
23
GLU
HB2
1.28
2
4878
35
GLU
HB2
1.28
2
5602
84
GLU
HB2
1.289
1
5285
120
GLU
HB2
1.29
1
6613
99
GLU
HB2
1.294
2
15315
156
GLU
HB2
1.294
2
5683
19
GLU
HB2
1.3
.
5049
77
GLU
HB2
1.3
2
10137
139
GLU
HB2
1.303
2
7008
146
GLU
HB2
1.305
.
5184
9
GLU
HB2
1.31
1
5284
120
GLU
HB2
1.31
1
5843
68
GLU
HB2
1.31
2
4312
103
GLU
HB2
1.31
1
5373
56
GLU
HB2
1.31
1
5820
51
GLU
HB2
1.311
.
5404
88
GLU
HB2
1.314
2
4215
100
GLU
HB2
1.32
1
5709
87
GLU
HB2
1.32
1
10028
25
GLU
HB2
1.327
2
6398
96
GLU
HB2
1.327
2
6759
124
GLU
HB2
1.327
.
5578
72
GLU
HB2
1.33
.
6406
70
GLU
HB2
1.332
2
15008
46
GLU
HB2
1.338
2
6518
59
GLU
HB2
1.34
2
5695
91
GLU
HB2
1.34
2
5388
31
GLU
HB2
1.34
2
6847
109
GLU
HB2
1.34
2
5328
59
GLU
HB2
1.34
2
5205
3
GLU
HB2
1.346
.
7261
30
GLU
HB2
1.35
2
6603
109
GLU
HB2
1.354
2
15498
148
GLU
HB2
1.36
2
4902
21
GLU
HB2
1.36
2
5094
79
GLU
HB2
1.36
.
7009
92
GLU
HB2
1.364
.
6724
68
GLU
HB2
1.366
.
6724
87
GLU
HB2
1.366
.
5974
34
GLU
HB2
1.366
2
6724
112
GLU
HB2
1.366
.
10004
150
GLU
HB2
1.37
2
4779
88
GLU
HB2
1.37
2
7301
79
GLU
HB2
1.37
2
15127
21
GLU
HB2
1.37
2
4333
64
GLU
HB2
1.374
2
6596
3
GLU
HB2
1.374
1
6724
107
GLU
HB2
1.376
.
7274
31
GLU
HB2
1.378
2
7009
89
GLU
HB2
1.378
.
4825
23
GLU
HB2
1.38
2
6196
127
GLU
HB2
1.38
.
6372
119
GLU
HB2
1.38
2
6195
113
GLU
HB2
1.38
.
6883
23
GLU
HB2
1.381
2
6366
49
GLU
HB2
1.39
1
4879
27
GLU
HB2
1.39
1
4982
23
GLU
HB2
1.39
1
5247
11
GLU
HB2
1.393
2
6766
131
GLU
HB2
1.397
1
300
42
GLU
HB2
1.4
2