HIS CA Chemical Shift Outliers

___________________________________________________
HIS CA Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
13875
56.553
11.4
176.9
2.829


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
11055
76
HIS
CA
104.4
1
6078
65
HIS
CA
118.6
.
17130
25
HIS
CA
176.9
1
6549
60
HIS
CA
65.15
.
4105
91
HIS
CA
65.4
1
16475
163
HIS
CA
66.77
1
5862
122
HIS
CA
66.98
1
5269
70
HIS
CA
69.1
1
18578
95
HIS
CA
70.294
1
16307
69
HIS
CA
70.8
1
16306
69
HIS
CA
71.7
1
17226
81
HIS
CA
73.66
1
1734
16
HIS
CA
74.7
1
1736
18
HIS
CA
74.9
1
5828
18
HIS
CA
75.89
1
17847
18
HIS
CA
76.34
1
6983
26
HIS
CA
76.82
1
5005
27
HIS
CA
76.9
1
17845
23
HIS
CA
77.06
1
5269
46
HIS
CA
77.7
1
17144
18
HIS
CA
77.9
1
4777
18
HIS
CA
78.3
1
17236
18
HIS
CA
78.4
1
5745
67
HIS
CA
80.2
1
4806
61
HIS
CA
80.78
1
4807
61
HIS
CA
80.78
1
16307
45
HIS
CA
82.1
1
5802
69
HIS
CA
82.22
1
16306
45
HIS
CA
82.5
1
6987
26
HIS
CA
82.52
1
15877
10
HIS
CA
87.024
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
15599
53
HIS
CA
11.4
1
5897
51
HIS
CA
23.905
1
7384
38
HIS
CA
43.3
1
15364
38
HIS
CA
43.3
1
7201
108
HIS
CA
44.3
1
4471
29
HIS
CA
45.5
1
4431
33
HIS
CA
45.8
1
5128
69
HIS
CA
46.01
1
6444
92
HIS
CA
47.97
.
15578
92
HIS
CA
48.022
1