THR CA Chemical Shift Outliers

___________________________________________________
THR CA Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
34228
62.253
41.035
92.659
2.654


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
4232
72
THR
CA
70.42
1
4078
40
THR
CA
70.5
1
16538
18
THR
CA
70.58
1
16542
18
THR
CA
70.67
1
18296
87
THR
CA
70.731
1
15000
13
THR
CA
70.87
.
5974
26
THR
CA
70.98
1
5618
197
THR
CA
71.15
1
4232
54
THR
CA
71.16
1
4726
47
THR
CA
71.6
.
7420
49
THR
CA
71.718
1
5860
28
THR
CA
72.797
1
15380
44
THR
CA
73.03
1
17495
21
THR
CA
76.049
1
4232
39
THR
CA
76.09
1
4232
44
THR
CA
77.08
1
4232
54
THR
CA
82.16
1
15877
9
THR
CA
92.659
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
16937
236
THR
CA
41.035
1
15873
45
THR
CA
41.951
1
15874
45
THR
CA
41.951
1
15874
34
THR
CA
42.615
1
15873
34
THR
CA
42.615
1
15873
8
THR
CA
44.017
1
15874
8
THR
CA
44.017
1
16729
38
THR
CA
45.73
1
6444
101
THR
CA
50.936
.
5514
230
THR
CA
51.61
1
6627
23
THR
CA
51.7
1
16729
186
THR
CA
51.867
1
5511
138
THR
CA
51.93
1
4431
58
THR
CA
52
1
4431
118
THR
CA
52.1
1
7136
40
THR
CA
52.56
.
4331
64
THR
CA
52.6
1
15578
100
THR
CA
52.624
1
16337
54
THR
CA
52.8
9
5382
149
THR
CA
52.83
.
4097
52
THR
CA
52.9
1
4667
5
THR
CA
53
1
17722
278
THR
CA
53.115
.
15722
83
THR
CA
53.394
1
7325
114
THR
CA
53.549
.
16729
128
THR
CA
53.559
1
5547
25
THR
CA
53.7
1
16940
175
THR
CA
53.93
1
6193
25
THR
CA
53.946
1
16062
7
THR
CA
53.988
1
4329
36
THR
CA
54.12
1
5075
60
THR
CA
54.2
1
5511
125
THR
CA
54.21
1