GLN HE22 Chemical Shift Outliers

___________________________________________________
GLN HE22 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
5179
7.021
3.59
9.79
0.472


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
5397
55
GLN
HE22
8.5
2
5959
55
GLN
HE22
8.53
2
15327
10
GLN
HE22
8.53
2
6806
55
GLN
HE22
8.54
2
7219
161
GLN
HE22
8.551
2
6256
126
GLN
HE22
8.57
2
7187
67
GLN
HE22
8.582
2
6518
98
GLN
HE22
8.61
2
4101
71
GLN
HE22
8.61
2
5397
55
GLN
HE22
8.65
2
6805
55
GLN
HE22
8.68
2
4325
114
GLN
HE22
8.69
4
4325
56
GLN
HE22
8.69
4
4324
55
GLN
HE22
8.72
2
4775
93
GLN
HE22
8.79
1
196
2
GLN
HE22
8.82
1
15020
111
GLN
HE22
8.822
2
7034
95
GLN
HE22
8.839
.
7032
24
GLN
HE22
8.86
2
6366
66
GLN
HE22
8.88
2
5554
94
GLN
HE22
8.93
2
5742
60
GLN
HE22
8.945
.
4117
54
GLN
HE22
9.02
2
5355
146
GLN
HE22
9.09
1
5679
44
GLN
HE22
9.14
2
5299
93
GLN
HE22
9.18
2
4946
35
GLN
HE22
9.37
2
5679
127
GLN
HE22
9.54
2
5679
84
GLN
HE22
9.79
2


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
5578
108
GLN
HE22
3.59
.
5579
108
GLN
HE22
3.6
.
5048
109
GLN
HE22
3.66
2
5319
109
GLN
HE22
3.85
1
4682
109
GLN
HE22
4.3
.
4682
39
GLN
HE22
4.43
.
4682
39
GLN
HE22
4.46
.
4371
8
GLN
HE22
4.671
.
6359
17
GLN
HE22
4.69
1
5579
128
GLN
HE22
4.77
.
5578
128
GLN
HE22
4.86
.
5319
129
GLN
HE22
4.91
1
4681
39
GLN
HE22
5.06
.
4682
129
GLN
HE22
5.06
.
971
81
GLN
HE22
5.08
2
4682
129
GLN
HE22
5.12
.
4682
5
GLN
HE22
5.12
.
4681
129
GLN
HE22
5.13
.
968
81
GLN
HE22
5.14
2
4321
128
GLN
HE22
5.18
1
5628
135
GLN
HE22
5.2
2
6465
26
GLN
HE22
5.21
2
7221
35
GLN
HE22
5.219
1
7221
35
GLN
HE22
5.222
1
6415
58
GLN
HE22
5.24
2
6392
35
GLN
HE22
5.24
1
7221
35
GLN
HE22
5.245
1
7221
35
GLN
HE22
5.245
1
7221
35
GLN
HE22
5.26
1
7103
58
GLN
HE22
5.26
2
7221
35
GLN
HE22
5.26
1
6393
35
GLN
HE22
5.26
1
7221
35
GLN
HE22
5.265
1
6058
5
GLN
HE22
5.29
2
7221
35
GLN
HE22
5.296
1
7221
35
GLN
HE22
5.305
1
7221
35
GLN
HE22
5.305
1
7221
35
GLN
HE22
5.312
1
7221
35
GLN
HE22
5.312
1
7221
35
GLN
HE22
5.312
1
7221
35
GLN
HE22
5.312
1
7221
35
GLN
HE22
5.314
1
7221
35
GLN
HE22
5.315
1
7221
35
GLN
HE22
5.32
1
7221
35
GLN
HE22
5.32
1
5048
129
GLN
HE22
5.33
1
15611
75
GLN
HE22
5.336
2
5792
57
GLN
HE22
5.36
2
5280
62
GLN
HE22
5.45
2
4682
5
GLN
HE22
5.47
.
4460
42
GLN
HE22
5.479
2
6058
23
GLN
HE22
5.51
2
15603
12
GLN
HE22
5.539
1
4681
109
GLN
HE22
5.55
.
15611
98
GLN
HE22
5.555
2
4681
109
GLN
HE22
5.59
.
6976
26
GLN
HE22
5.602
1