HIS CB Chemical Shift Outliers

___________________________________________________
HIS CB Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
14623
30.252
18.745
54.9
2.112


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
19247
39
HIS
CB
36.59
1
5959
56
HIS
CB
36.6
1
19311
78
HIS
CB
36.622
1
27162
80
HIS
CB
36.654
1
17137
63
HIS
CB
36.69
1
15498
75
HIS
CB
36.707
1
18575
76
HIS
CB
36.71
1
5250
34
HIS
CB
36.8
1
16440
24
HIS
CB
36.81
1
11588
13
HIS
CB
36.824
1
17957
34
HIS
CB
36.84
1
19974
34
HIS
CB
36.84
1
27043
122
HIS
CB
36.842
1
25085
70
HIS
CB
36.861
1
16260
42
HIS
CB
36.91
1
11522
21
HIS
CB
36.935
1
18598
65
HIS
CB
36.95
1
34184
98
HIS
CB
36.95
1
4558
132
HIS
CB
36.964
1
16588
151
HIS
CB
37.05
1
11560
13
HIS
CB
37.058
1
15628
12
HIS
CB
37.071
1
11558
13
HIS
CB
37.076
1
36014
13
HIS
CB
37.088
1
11557
13
HIS
CB
37.12
1
15008
127
HIS
CB
37.138
1
16970
33
HIS
CB
37.197
1
11559
13
HIS
CB
37.23
1
25572
139
HIS
CB
37.272
1
10108
38
HIS
CB
37.285
1
4670
12
HIS
CB
37.35
.
5225
8
HIS
CB
37.36
1
6051
104
HIS
CB
37.37
1
19547
43
HIS
CB
37.38
1
19548
43
HIS
CB
37.457
1
15723
88
HIS
CB
37.553
1
25713
131
HIS
CB
37.607
1
18864
14
HIS
CB
37.623
1
11080
14
HIS
CB
37.623
1
25715
131
HIS
CB
37.647
1
19549
43
HIS
CB
37.649
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
.
27859
122
HIS
CB
37.8
.
30514
61
HIS
CB
37.8
1
16690
75
HIS
CB
37.81
1
27725
13
HIS
CB
37.903
1
26966
57
HIS
CB
37.947
1
19522
2
HIS
CB
38.023
1
19521
2
HIS
CB
38.023
1
19520
2
HIS
CB
38.023
1
15826
178
HIS
CB
38.12
1
25288
44
HIS
CB
38.129
1
5462
207
HIS
CB
38.16
1
17160
145
HIS
CB
38.3
1
27285
264
HIS
CB
38.344
1
27078
1
HIS
CB
38.55
1
19235
6
HIS
CB
38.564
1
6757
13
HIS
CB
38.58
1
5505
39
HIS
CB
38.6
1
27321
88
HIS
CB
38.625
1
26814
178
HIS
CB
38.628
1
5293
17
HIS
CB
38.66
1
27262
61
HIS
CB
38.692
1
26835
178
HIS
CB
38.704
1
16044
217
HIS
CB
38.779
1
17866
86
HIS
CB
38.84
1
19224
178
HIS
CB
38.864
1
19223
178
HIS
CB
38.883
1
18303
218
HIS
CB
38.894
1
27411
87
HIS
CB
38.9
1
17586
2
HIS
CB
38.92
1
5100
69
HIS
CB
39.1
9
17047
40
HIS
CB
39.17
1
26602
46
HIS
CB
39.334
1
26832
178
HIS
CB
39.35
1
18414
114
HIS
CB
39.385
1
17827
68
HIS
CB
39.41
1
18856
9
HIS
CB
39.435
.
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
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
18576
58
HIS
CB
42.6
1
18585
58
HIS
CB
42.6
1
6494
106
HIS
CB
43.3
1
18479
166
HIS
CB
43.382
1
5145
69
HIS
CB
54.9
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
7059
51
HIS
CB
18.745
1
19063
77
HIS
CB
19.117
.
7256
136
HIS
CB
19.2
1
6586
19
HIS
CB
20.767
1
19063
16
HIS
CB
20.775
.
16884
18
HIS
CB
20.8
1
6586
69
HIS
CB
20.838
1
6586
38
HIS
CB
21.9
1
6586
6
HIS
CB
21.971
1
5222
57
HIS
CB
22.4
1
26619
18
HIS
CB
22.428
.
19063
18
HIS
CB
22.434
.
26851
154
HIS
CB
22.523
1
26848
154
HIS
CB
22.768
1
11199
46
HIS
CB
23.076
1
26792
53
HIS
CB
23.2
1
19637
2
HIS
CB
23.296
1
4061
94
HIS
CB
23.4
1
5547
209
HIS
CB
23.4
1
19433
42
HIS
CB
23.445
1
5854
12
HIS
CB
23.54
1
26647
124
HIS
CB
23.68
1
4102
145
HIS
CB
23.7
1
27122
283
HIS
CB
23.872
.