HIS CB Chemical Shift Outliers

___________________________________________________
HIS CB Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
13108
30.290
17.8
80.78
2.407


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
15723
88
HIS
CB
37.553
1
11080
14
HIS
CB
37.623
1
5819
82
HIS
CB
37.7
1
6726
8
HIS
CB
37.73
1
18856
103
HIS
CB
37.774
.
4768
42
HIS
CB
37.8
.
16690
75
HIS
CB
37.81
1
15257
43
HIS
CB
37.943
1
17546
136
HIS
CB
38.03
.
15717
169
HIS
CB
38.03
.
15826
178
HIS
CB
38.12
1
5462
207
HIS
CB
38.16
1
17160
145
HIS
CB
38.3
1
18404
7
HIS
CB
38.45
5
4252
142
HIS
CB
38.5
1
19235
6
HIS
CB
38.564
1
6757
13
HIS
CB
38.58
1
5505
39
HIS
CB
38.6
1
5293
17
HIS
CB
38.66
1
17918
9
HIS
CB
38.732
1
16044
217
HIS
CB
38.779
1
17866
86
HIS
CB
38.84
1
18303
218
HIS
CB
38.894
1
17586
2
HIS
CB
38.92
1
5100
69
HIS
CB
39.1
9
17047
40
HIS
CB
39.17
1
18414
114
HIS
CB
39.385
1
16729
40
HIS
CB
39.386
1
17827
68
HIS
CB
39.41
1
18856
9
HIS
CB
39.435
.
16576
75
HIS
CB
39.5
1
7188
40
HIS
CB
39.612
1
6434
19
HIS
CB
39.671
1
17471
231
HIS
CB
39.807
1
6468
128
HIS
CB
39.941
1
18510
10
HIS
CB
40.1
1
18793
76
HIS
CB
40.205
1
5894
54
HIS
CB
40.21
1
6983
26
HIS
CB
40.46
1
4514
43
HIS
CB
40.48
.
4460
96
HIS
CB
40.86
1
4901
47
HIS
CB
40.87
1
16061
35
HIS
CB
41.155
1
5721
135
HIS
CB
41.6
1
6577
121
HIS
CB
41.82
1
15344
93
HIS
CB
42.238
1
18585
58
HIS
CB
42.6
1
18576
58
HIS
CB
42.6
1
18404
8
HIS
CB
43.24
5
6494
106
HIS
CB
43.3
1
4130
27
HIS
CB
43.32
.
4131
27
HIS
CB
43.32
.
18479
166
HIS
CB
43.382
1
5145
69
HIS
CB
54.9
1
18578
95
HIS
CB
57.545
1
15877
10
HIS
CB
61.368
1
16113
32
HIS
CB
64
1
17416
74
HIS
CB
66.43
1
4150
10
HIS
CB
72.65
.
17016
52
HIS
CB
73.65
1
5179
79
HIS
CB
78.58
.
5179
75
HIS
CB
79.18
.
5179
53
HIS
CB
80.78
.


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
5802
69
HIS
CB
17.8
1
7059
51
HIS
CB
18.745
1
5745
67
HIS
CB
18.8
1
7256
136
HIS
CB
19.2
1
6921
67
HIS
CB
19.607
1
6586
19
HIS
CB
20.767
1
16884
18
HIS
CB
20.8
1
6586
69
HIS
CB
20.838
1
17236
18
HIS
CB
20.9
1
5802
45
HIS
CB
21.19
1
6586
38
HIS
CB
21.9
1
6586
6
HIS
CB
21.971
1
17144
18
HIS
CB
22.2
1
5222
57
HIS
CB
22.4
1
5081
82
HIS
CB
22.606
1
17660
26
HIS
CB
22.664
1