HIS CE1 Chemical Shift Outliers

___________________________________________________
HIS CE1 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
4018
137.627
104.667
145.419
2.258


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
30227
4
HIS
CE1
144.5
.
5971
30
HIS
CE1
144.54
1
6800
30
HIS
CE1
144.54
1
19047
86
HIS
CE1
144.756
1
19048
86
HIS
CE1
145.419
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
10092
59
HIS
CE1
104.667
1
19628
66
HIS
CE1
106.664
.
19233
6
HIS
CE1
108.947
1
15897
83
HIS
CE1
113.263
1
15896
83
HIS
CE1
113.263
1
30375
234
HIS
CE1
115.046
.
4381
88
HIS
CE1
115.52
1
4381
74
HIS
CE1
115.68
1
4381
51
HIS
CE1
115.91
1
19241
25
HIS
CE1
117.435
1
19240
25
HIS
CE1
117.435
1
17320
100
HIS
CE1
118.436
1
34155
50
HIS
CE1
118.587
1
5798
25
HIS
CE1
118.8
1
6457
68
HIS
CE1
119.485
.
4984
47
HIS
CE1
119.615
3
16764
107
HIS
CE1
120
1
25350
120
HIS
CE1
120.309
1
18355
61
HIS
CE1
123.906
1
18510
10
HIS
CE1
125.6
1
30375
5
HIS
CE1
126.709
.
6538
86
HIS
CE1
127.5
1
4092
119
HIS
CE1
127.6
1
11594
80
HIS
CE1
129.089
1
11080
91
HIS
CE1
129.158
1
15341
27
HIS
CE1
129.2
1
4161
43
HIS
CE1
129.5
1
25243
43
HIS
CE1
129.586
.
17249
144
HIS
CE1
129.6
1
17074
46
HIS
CE1
129.65
1
4161
39
HIS
CE1
129.9
1
30501
57
HIS
CE1
130.156
.
16713
27
HIS
CE1
130.235
1
4161
60
HIS
CE1
130.6
1
16391
104
HIS
CE1
130.705
1
18732
11
HIS
CE1
130.758
1
15295
42
HIS
CE1
130.829
1