HIS CD2 Chemical Shift Outliers

___________________________________________________
HIS CD2 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
5210
120.364
110.516
159.946
3.336


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
18804
39
HIS
CD2
130.383
.
18806
26
HIS
CD2
130.448
1
11587
111
HIS
CD2
130.469
1
11560
111
HIS
CD2
130.469
1
15660
47
HIS
CD2
130.5
1
25582
6
HIS
CD2
130.501
1
18806
82
HIS
CD2
130.548
1
18806
50
HIS
CD2
130.56
1
18806
54
HIS
CD2
130.631
1
18806
78
HIS
CD2
130.741
1
18806
22
HIS
CD2
130.823
1
11080
91
HIS
CD2
130.824
1
11324
92
HIS
CD2
130.855
1
11308
34
HIS
CD2
131
1
25587
82
HIS
CD2
131.048
1
5225
84
HIS
CD2
131.08
1
17636
112
HIS
CD2
131.08
1
18586
26
HIS
CD2
131.261
1
6615
25
HIS
CD2
131.34
1
18650
78
HIS
CD2
131.367
.
25587
110
HIS
CD2
131.513
1
11324
63
HIS
CD2
131.604
1
18806
110
HIS
CD2
131.677
1
18650
85
HIS
CD2
131.696
.
7151
56
HIS
CD2
131.7
1
19317
29
HIS
CD2
131.953
1
16590
31
HIS
CD2
131.98
1
15242
85
HIS
CD2
132.049
.
6705
108
HIS
CD2
132.48
.
25453
67
HIS
CD2
132.92
1
6615
16
HIS
CD2
132.96
1
4560
9
HIS
CD2
133.33
1
15314
38
HIS
CD2
134.413
1
4619
24
HIS
CD2
134.531
.
4619
51
HIS
CD2
134.871
.
19715
59
HIS
CD2
134.935
1
15314
69
HIS
CD2
136.572
1
4984
47
HIS
CD2
136.675
3
4619
16
HIS
CD2
136.861
.
19240
25
HIS
CD2
136.901
1
19241
25
HIS
CD2
136.901
1
16813
71
HIS
CD2
137.338
1
7189
46
HIS
CD2
138.03
1
19910
121
HIS
CD2
138.5
1
4619
12
HIS
CD2
138.851
.
25104
92
HIS
CD2
140.22
.
7190
62
HIS
CD2
159.946
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code