HIS HB2 Chemical Shift Outliers

___________________________________________________
HIS HB2 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
4136
3.107
.37
8.7
0.366


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
1825
12
HIS
HB2
4.215
2
1826
12
HIS
HB2
4.24
2
6821
120
HIS
HB2
4.281
.
5595
171
HIS
HB2
4.48
2
6585
93
HIS
HB2
4.59
2
2489
18
HIS
HB2
8.7
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
1208
61
HIS
HB2
.37
1
5483
61
HIS
HB2
.529
1
7175
41
HIS
HB2
.72
2
15173
59
HIS
HB2
.774
2
5578
116
HIS
HB2
.78
.
5579
116
HIS
HB2
.8
.
2198
57
HIS
HB2
.93
2
5319
117
HIS
HB2
.98
1
5048
117
HIS
HB2
1
1
5627
74
HIS
HB2
1.03
2
6869
58
HIS
HB2
1.04
1
6298
70
HIS
HB2
1.132
.
5525
34
HIS
HB2
1.18
.
1663
68
HIS
HB2
1.2
2
6578
73
HIS
HB2
1.34
2
7059
51
HIS
HB2
1.364
1
6460
50
HIS
HB2
1.367
2
6434
82
HIS
HB2
1.368
2
15046
60
HIS
HB2
1.377
2
4060
181
HIS
HB2
1.38
1
2068
102
HIS
HB2
1.4
1
6344
95
HIS
HB2
1.44
2
4141
60
HIS
HB2
1.47
2
6265
43
HIS
HB2
1.47
2
5756
4
HIS
HB2
1.47
2
4478
58
HIS
HB2
1.47
1
15161
39
HIS
HB2
1.55
2
4249
23
HIS
HB2
1.57
2
5871
31
HIS
HB2
1.59
1
7059
57
HIS
HB2
1.646
1
4343
64
HIS
HB2
1.66
1
349
56
HIS
HB2
1.66
2
5099
74
HIS
HB2
1.67
2
5866
79
HIS
HB2
1.68
1
5796
35
HIS
HB2
1.69
2
4267
166
HIS
HB2
1.72
2
6010
12
HIS
HB2
1.75
.
4492
43
HIS
HB2
1.75
.
60
64
HIS
HB2
1.78
2
6279
13
HIS
HB2
1.796
2
5022
58
HIS
HB2
1.802
.
6244
106
HIS
HB2
1.82
2
5789
24
HIS
HB2
1.82
2
4327
74
HIS
HB2
1.83
2
4678
8
HIS
HB2
1.84
.
6609
54
HIS
HB2
1.841
2
4893
11
HIS
HB2
1.85
2
4158
82
HIS
HB2
1.87
2
15289
57
HIS
HB2
1.899
2
15300
57
HIS
HB2
1.904
2
6047
178
HIS
HB2
1.91
2
4825
11
HIS
HB2
1.92
2
5692
46
HIS
HB2
1.95
1
4927
41
HIS
HB2
1.95
2
4775
183
HIS
HB2
1.96
1
5128
99
HIS
HB2
1.97
2
6582
74
HIS
HB2
1.97
1
15381
77
HIS
HB2
1.98
2
5902
35
HIS
HB2
1.984
2
5783
52
HIS
HB2
1.984
2
7281
72
HIS
HB2
1.99
1
5173
16
HIS
HB2
1.99
2
15373
41
HIS
HB2
2
2
5906
54
HIS
HB2
2
2