GLN HB2 Chemical Shift Outliers

___________________________________________________
GLN HB2 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
7820
2.046
-.14
4
0.262


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
6868
119
GLN
HB2
2.842
1
4343
155
GLN
HB2
2.85
2
4145
25
GLN
HB2
2.864
2
4336
32
GLN
HB2
2.87
1
4997
5
GLN
HB2
2.88
2
7095
59
GLN
HB2
2.886
1
15378
81
GLN
HB2
2.899
2
4840
92
GLN
HB2
2.9
2
6971
131
GLN
HB2
2.92
2
5069
58
GLN
HB2
2.93
2
15229
91
GLN
HB2
2.944
.
15356
92
GLN
HB2
2.945
2
5596
69
GLN
HB2
2.947
2
15576
24
GLN
HB2
2.966
2
4636
100
GLN
HB2
3.04
.
15063
3
GLN
HB2
3.122
2
6799
15
GLN
HB2
3.49
2
5410
9
GLN
HB2
3.863
2
4155
59
GLN
HB2
4
2


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
5545
67
GLN
HB2
-.07
2
6910
81
GLN
HB2
-.12
1
7097
41
GLN
HB2
-.12
.
15063
56
GLN
HB2
-.134
2
6344
70
GLN
HB2
-.14
2
4593
5
GLN
HB2
.093
2
7004
17
GLN
HB2
.1
2
7137
53
GLN
HB2
.16
2
5027
88
GLN
HB2
.35
2
6419
33
GLN
HB2
.4
1
7219
135
GLN
HB2
.41
2
6453
47
GLN
HB2
.41
2
5224
90
GLN
HB2
.43
2
4959
123
GLN
HB2
.465
2
6359
46
GLN
HB2
.474
2
6990
118
GLN
HB2
.487
2
15265
25
GLN
HB2
.53
2
4900
43
GLN
HB2
.56
2
6711
114
GLN
HB2
.59
1
7127
50
GLN
HB2
.61
1
4901
19
GLN
HB2
.63
1
5397
10
GLN
HB2
.69
1
5225
54
GLN
HB2
.69
1
4084
36
GLN
HB2
.7
1
6361
64
GLN
HB2
.704
2
4560
86
GLN
HB2
.73
2
4682
45
GLN
HB2
.74
.
4788
24
GLN
HB2
.75
1
6331
16
GLN
HB2
.774
2
4681
45
GLN
HB2
.8
.
5194
134
GLN
HB2
.81
2
15369
243
GLN
HB2
.822
2
7053
57
GLN
HB2
.83
2
6571
44
GLN
HB2
.853
2
4259
47
GLN
HB2
.86
1
58
8
GLN
HB2
.86
2
5492
47
GLN
HB2
.87
1
6821
153
GLN
HB2
.898
.
6851
49
GLN
HB2
.903
.
5630
124
GLN
HB2
.92
2
4681
45
GLN
HB2
.92
.
5862
89
GLN
HB2
.93
1
4682
45
GLN
HB2
.94
.
4081
62
GLN
HB2
.95
1
15063
199
GLN
HB2
.952
2
6903
84
GLN
HB2
.956
1
6990
39
GLN
HB2
.956
2
5792
57
GLN
HB2
.96
2
5595
37
GLN
HB2
.96
2
15339
26
GLN
HB2
.962
2
15288
14
GLN
HB2
.97
2
4117
81
GLN
HB2
.97
2
434
116
GLN
HB2
.98
2
1062
115
GLN
HB2
.98
2
30
46
GLN
HB2
.99
2
6177
86
GLN
HB2
1
2
6904
84
GLN
HB2
1
1
5346
28
GLN
HB2
1.01
1
6760
111
GLN
HB2
1.01
2
4234
32
GLN
HB2
1.0267
2
4234
28
GLN
HB2
1.0298
2
15356
37
GLN
HB2
1.032
2
15542
117
GLN
HB2
1.037
2
4939
29
GLN
HB2
1.053
2
5794
36
GLN
HB2
1.053
2
7079
112
GLN
HB2
1.06
2
4715
25
GLN
HB2
1.064
1
4681
5
GLN
HB2
1.07
.
15603
44
GLN
HB2
1.071
2
6502
65
GLN
HB2
1.079
1
15173
51
GLN
HB2
1.083
2
10006
48
GLN
HB2
1.095
2
5237
67
GLN
HB2
1.1
2
4380
25
GLN
HB2
1.117
2
5833
151
GLN
HB2
1.12
2
5483
103
GLN
HB2
1.124
2
4848
171
GLN
HB2
1.13
.
4282
48
GLN
HB2
1.13
2
4860
98
GLN
HB2
1.14
2
2856
26
GLN
HB2
1.14
1
7032
40
GLN
HB2
1.15
2
4857
84
GLN
HB2
1.15
2
15627
40
GLN
HB2
1.159
1
5141
93
GLN
HB2
1.16
1
15382
45
GLN
HB2
1.17
.
7058
25
GLN
HB2
1.18
1
80
46
GLN
HB2
1.19
2
5223
36
GLN
HB2
1.193
.
5338
40
GLN
HB2
1.197
1
5232
117
GLN
HB2
1.2
2
5299
63
GLN
HB2
1.21
2
4639
47
GLN
HB2
1.212
1
15611
75
GLN
HB2
1.218
2
6648
63
GLN
HB2
1.225
1
5920
47
GLN
HB2
1.2289
1
5117
34
GLN
HB2
1.236
2
5949
26
GLN
HB2
1.24
2
7192
55
GLN
HB2
1.24
2
4990
28
GLN
HB2
1.24
1
374
49
GLN
HB2
1.24
2
5948
26
GLN
HB2
1.24
2
5155
86
GLN
HB2
1.245
1
4636
109
GLN
HB2
1.25
.
6725
98
GLN
HB2
1.25
2
4825
8
GLN
HB2
1.25
2
5862
73
GLN
HB2
1.25
1
6647
17
GLN
HB2
1.253
2