HIS CA Chemical Shift Outliers

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HIS CA Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
20472
56.511
11.4
355.084
3.446


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
25442
22
HIS
CA
355.084
.
5862
122
HIS
CA
66.98
1
19854
139
HIS
CA
67.775
1
5269
70
HIS
CA
69.1
1
19819
96
HIS
CA
70.19
1
18578
95
HIS
CA
70.294
1
16307
69
HIS
CA
70.8
1
19819
96
HIS
CA
71.15
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
19818
96
HIS
CA
76.26
1
17847
18
HIS
CA
76.34
1
19818
96
HIS
CA
76.57
1
25908
18
HIS
CA
76.718
.
6983
26
HIS
CA
76.82
1
5005
27
HIS
CA
76.9
1
17845
23
HIS
CA
77.06
1
25422
18
HIS
CA
77.562
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
26885
76
HIS
CA
81.7
.
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
19818
64
HIS
CA
89.79
1
19818
64
HIS
CA
92.42
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
19716
12
HIS
CA
25.9907
1
34022
87
HIS
CA
27.8213
.
26552
112
HIS
CA
27.8213
.
25410
55
HIS
CA
39.916
1
7384
38
HIS
CA
43.3
1
15364
38
HIS
CA
43.3
1
19063
16
HIS
CA
43.308
.
7201
108
HIS
CA
44.3
1
4471
29
HIS
CA
45.5
1
27262
88
HIS
CA
45.552
1
4431
33
HIS
CA
45.8
1
5128
69
HIS
CA
46.01
1
19063
18
HIS
CA
46.142
.