HIS HD2 Chemical Shift Outliers

___________________________________________________
HIS HD2 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
2839
7.045
3.46
9.01
0.478


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
6083
6
HIS
HD2
8.5
1
6179
53
HIS
HD2
8.515
1
6469
3
HIS
HD2
8.519
1
4273
14
HIS
HD2
8.52
1
4273
5
HIS
HD2
8.52
1
4273
12
HIS
HD2
8.52
1
4273
13
HIS
HD2
8.52
1
4273
9
HIS
HD2
8.52
1
6108
86
HIS
HD2
8.54
1
5749
39
HIS
HD2
8.54
1
1181
20
HIS
HD2
8.55
1
4276
35
HIS
HD2
8.56
1
1756
14
HIS
HD2
8.56
1
4516
32
HIS
HD2
8.57
1
7330
15
HIS
HD2
8.58
.
1182
20
HIS
HD2
8.59
1
4273
9
HIS
HD2
8.6
1
4273
5
HIS
HD2
8.6
1
4273
14
HIS
HD2
8.6
1
4273
12
HIS
HD2
8.6
1
4273
13
HIS
HD2
8.6
1
5348
33
HIS
HD2
8.62
1
4273
5
HIS
HD2
8.62
1
4289
23
HIS
HD2
8.62
1
4273
9
HIS
HD2
8.62
1
30
4
HIS
HD2
8.62
1
30
41
HIS
HD2
8.62
1
4273
12
HIS
HD2
8.62
1
4273
14
HIS
HD2
8.62
1
4273
13
HIS
HD2
8.62
1
2071
102
HIS
HD2
8.63
1
6745
37
HIS
HD2
8.642
1
6745
44
HIS
HD2
8.642
1
2204
44
HIS
HD2
8.66
1
5348
2
HIS
HD2
8.66
1
1093
15
HIS
HD2
8.66
1
5173
43
HIS
HD2
8.67
1
5348
43
HIS
HD2
8.69
1
5749
29
HIS
HD2
8.7
1
4696
6
HIS
HD2
8.72
2
6484
51
HIS
HD2
8.72
3
6387
44
HIS
HD2
8.73
1
2070
102
HIS
HD2
8.74
1
5988
4
HIS
HD2
8.75
3
6386
44
HIS
HD2
8.76
1
2067
102
HIS
HD2
8.77
1
2066
102
HIS
HD2
8.82
1
6502
76
HIS
HD2
8.821
1
6502
86
HIS
HD2
8.841
1
6502
3
HIS
HD2
8.841
1
5735
14
HIS
HD2
8.95
.
5735
6
HIS
HD2
8.95
.
4828
65
HIS
HD2
9.01
.


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
4158
82
HIS
HD2
3.46
1
5665
57
HIS
HD2
3.653
2
7264
114
HIS
HD2
3.79
1
1484
121
HIS
HD2
4.3
1
530
121
HIS
HD2
4.32
1
1704
121
HIS
HD2
4.32
1
4052
121
HIS
HD2
4.33
.
1875
121
HIS
HD2
4.33
1
1205
64
HIS
HD2
4.83
1
6655
51
HIS
HD2
4.873
1
823
64
HIS
HD2
4.9
1
1485
121
HIS
HD2
4.9
1
4312
28
HIS
HD2
4.98
1
6507
28
HIS
HD2
4.998
.
5031
100
HIS
HD2
5.05
1
5598
48
HIS
HD2
5.14
.
6655
112
HIS
HD2
5.249
1
15528
56
HIS
HD2
5.328
1
15482
65
HIS
HD2
5.41
1
1663
68
HIS
HD2
5.42
1
4141
60
HIS
HD2
5.43
1
15300
23
HIS
HD2
5.462
1
10028
33
HIS
HD2
5.474
1
10006
30
HIS
HD2
5.537
1
491
68
HIS
HD2
5.55
1
2151
68
HIS
HD2
5.56
1
5115
52
HIS
HD2
5.57
1
7185
64
HIS
HD2
5.58
1