THR C Chemical Shift Outliers

___________________________________________________
THR C Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
24667
174.519
60.89
185.918
2.331


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
15969
128
THR
C
181.53
1
17265
107
THR
C
181.532
1
15152
31
THR
C
181.547
1
18296
75
THR
C
181.578
1
4833
23
THR
C
181.58
1
15152
67
THR
C
181.65
1
5892
2
THR
C
181.651
1
15949
29
THR
C
181.668
.
6679
53
THR
C
181.685
1
18296
87
THR
C
181.882
1
6249
208
THR
C
181.89
1
6249
222
THR
C
181.89
1
6249
19
THR
C
181.89
1
15917
90
THR
C
181.916
1
16598
84
THR
C
181.92
1
15404
64
THR
C
181.94
1
17231
31
THR
C
181.94
1
6357
84
THR
C
181.956
1
7236
84
THR
C
181.973
1
6024
84
THR
C
182.015
1
7237
84
THR
C
182.037
1
7238
84
THR
C
182.071
1
5897
121
THR
C
182.088
1
7239
84
THR
C
182.139
1
18520
21
THR
C
182.23
1
18520
24
THR
C
182.34
1
18296
41
THR
C
182.343
1
15949
43
THR
C
182.353
.
6679
44
THR
C
182.41
1
17378
7
THR
C
182.475
1
16372
8
THR
C
182.965
1
15949
52
THR
C
183.665
.
15949
13
THR
C
183.717
.
5684
35
THR
C
183.8
1
6468
93
THR
C
184.431
1
15949
22
THR
C
185.208
.
15152
11
THR
C
185.327
1
15949
44
THR
C
185.918
.


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
6730
11
THR
C
128.373
.
6730
91
THR
C
128.488
.
6730
55
THR
C
128.691
.
6730
29
THR
C
128.938
.
6730
61
THR
C
129.794
.
6730
95
THR
C
130.167
.
6730
27
THR
C
130.38
.
6730
32
THR
C
131.323
.
6730
18
THR
C
132.591
.
4259
82
THR
C
165.5
1
16809
100
THR
C
165.68
1
5514
59
THR
C
166.16
1
16119
79
THR
C
166.352
1
16204
10
THR
C
166.632
1
15190
27
THR
C
166.898
1
7351
91
THR
C
166.92
1
15723
12
THR
C
166.981
1
4944
5
THR
C
167.17
1
5514
38
THR
C
167.22
1
15722
69
THR
C
167.278
1
16984
156
THR
C
167.506
1
15380
44
THR
C
60.89
1
7182
105
THR
C
61.784
.
16771
33
THR
C
66.96
1