HIS CB Chemical Shift Outliers

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HIS CB Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
19232
30.328
17.8
329.046
3.231


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
25442
22
HIS
CB
329.046
.
27274
231
HIS
CB
40.03
1
19740
361
HIS
CB
40.042
.
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
.
26875
26
HIS
CB
40.589
1
27078
110
HIS
CB
40.65
1
4460
96
HIS
CB
40.86
1
4901
47
HIS
CB
40.87
1
16061
35
HIS
CB
41.155
1
6577
121
HIS
CB
41.82
1
25905
33
HIS
CB
42.106
.
26691
3
HIS
CB
42.175
1
26750
158
HIS
CB
42.2
1
15344
93
HIS
CB
42.238
1
18585
58
HIS
CB
42.6
1
18576
58
HIS
CB
42.6
1
11453
48
HIS
CB
43.017
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
30450
192
HIS
CB
46.978
1
27080
92
HIS
CB
54.006
1
5145
69
HIS
CB
54.9
1
18578
95
HIS
CB
57.545
1
25382
4
HIS
CB
58.172
.
25382
75
HIS
CB
59.557
.
18969
56
HIS
CB
60.986
1
15877
10
HIS
CB
61.368
1
16113
32
HIS
CB
64
1
19458
89
HIS
CB
65.989
.
19818
64
HIS
CB
66.17
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
26885
76
HIS
CB
18.6
.
7059
51
HIS
CB
18.745
1
5745
67
HIS
CB
18.8
1
30334
7
HIS
CB
19.101
.
19063
77
HIS
CB
19.117
.
7256
136
HIS
CB
19.2
1
6921
67
HIS
CB
19.607
1