THR CA Chemical Shift Outliers

___________________________________________________
THR CA Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
52576
62.207
.971
92.659
2.771


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
16538
18
THR
CA
70.58
1
36051
1
THR
CA
70.63
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
19165
59
THR
CA
71.7902
1
36045
59
THR
CA
72
.
19342
1
THR
CA
72.579
1
5860
28
THR
CA
72.797
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
25679
29
THR
CA
.971
.
34042
150
THR
CA
20.295
.
34042
69
THR
CA
20.774
.
34042
43
THR
CA
20.975
.
34042
96
THR
CA
20.975
.
34042
19
THR
CA
21.018
.
34042
152
THR
CA
21.295
.
34042
92
THR
CA
21.872
.
34042
51
THR
CA
22.284
.
34042
136
THR
CA
22.29
.
34042
66
THR
CA
22.652
.
34022
137
THR
CA
26.8523
.
26552
162
THR
CA
26.8523
.
26552
41
THR
CA
29.5903
.
34022
16
THR
CA
29.5903
.
34022
83
THR
CA
29.8543
.
26552
108
THR
CA
29.8543
.
34022
36
THR
CA
30.6453
.
26552
61
THR
CA
30.6453
.
34022
111
THR
CA
33.0033
.
26552
136
THR
CA
33.0033
.
26552
174
THR
CA
33.8963
.
34022
149
THR
CA
33.8963
.
19716
22
THR
CA
34.443
1
18951
11
THR
CA
35.156
1
19716
15
THR
CA
35.6174
1
19716
14
THR
CA
37.9867
1
16937
236
THR
CA
41.035
1
18951
37
THR
CA
41.605
1
15874
45
THR
CA
41.951
1
15873
45
THR
CA
41.951
1
15873
34
THR
CA
42.615
1
15874
34
THR
CA
42.615
1
27249
64
THR
CA
43.391
.
15874
8
THR
CA
44.017
1
15873
8
THR
CA
44.017
1
19458
83
THR
CA
44.3944
.
16729
38
THR
CA
45.73
1
19063
90
THR
CA
48.009
.
25930
28
THR
CA
49.168
1
19063
29
THR
CA
49.737
.
26593
76
THR
CA
5.18
1
26593
25
THR
CA
5.312
1
25970
117
THR
CA
50.252
.
6444
101
THR
CA
50.936
.
27631
143
THR
CA
51.024
.
27631
163
THR
CA
51.058
.
19063
54
THR
CA
51.119
.
27631
142
THR
CA
51.299
.
27800
2
THR
CA
51.4
1
19063
94
THR
CA
51.534
.
5514
230
THR
CA
51.61
1
25379
122
THR
CA
51.625
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
25157
121
THR
CA
52.532
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
.
27631
80
THR
CA
52.897
.
4097
52
THR
CA
52.9
1
4667
5
THR
CA
53
1
19458
95
THR
CA
53.0631
.
17722
278
THR
CA
53.115
.
26715
12
THR
CA
53.147
1
26751
29
THR
CA
53.2025
1
27631
233
THR
CA
53.39
.
15722
83
THR
CA
53.394
1
27859
200
THR
CA
53.4
.
19325
168
THR
CA
53.48
1
25413
195
THR
CA
53.5
.
7325
114
THR
CA
53.549
.
16729
128
THR
CA
53.559
1
18969
117
THR
CA
53.66
1
5547
25
THR
CA
53.7
1
19308
117
THR
CA
53.799
1
19307
117
THR
CA
53.799
1