THR CB Chemical Shift Outliers

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THR CB Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
32035
69.608
-939.28
629.206
6.942


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
4781
12
THR
CB
629.206
1
15877
9
THR
CB
99.436
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
17640
161
THR
CB
-939.28
1
15438
31
THR
CB
1.06
1
15438
55
THR
CB
1.12
1
5572
35
THR
CB
12.65
1
4617
22
THR
CB
14.23
.
4617
54
THR
CB
14.23
.
15278
127
THR
CB
15.33
1
6702
63
THR
CB
15.57
.
16729
227
THR
CB
17.808
1
16729
128
THR
CB
18.273
1
16873
53
THR
CB
20.6
1
4349
112
THR
CB
20.6
1
15380
44
THR
CB
21.01
1
17678
158
THR
CB
21.384
1
16771
33
THR
CB
21.62
1
16729
77
THR
CB
27.306
1
16729
161
THR
CB
27.355
1
5041
6
THR
CB
29.268
1
5745
37
THR
CB
29.8
1
6305
487
THR
CB
29.97
1
16208
65
THR
CB
3.98
1
5022
71
THR
CB
30.156
.
7188
45
THR
CB
30.392
1
4130
8
THR
CB
30.68
.
4131
8
THR
CB
30.68
.
16729
259
THR
CB
31.282
1
19239
15
THR
CB
31.57
1
16729
307
THR
CB
31.808
1
15873
8
THR
CB
31.886
1
15874
8
THR
CB
31.886
1
4131
21
THR
CB
31.95
.
4130
21
THR
CB
31.95
.
16729
212
THR
CB
32.349
1
4617
46
THR
CB
32.68
.
15097
147
THR
CB
33
1
15874
45
THR
CB
33.933
1
15873
45
THR
CB
33.933
1
15873
34
THR
CB
34.267
1
15874
34
THR
CB
34.267
1
5946
78
THR
CB
34.37
1
17141
57
THR
CB
35.45
1
17141
59
THR
CB
35.95
1
16729
186
THR
CB
36.508
1
16729
192
THR
CB
36.802
1
16729
84
THR
CB
37.342
1
17103
38
THR
CB
38.084
1
16729
113
THR
CB
38.407
1
16729
336
THR
CB
38.623
1
4385
27
THR
CB
39
1
15835
171
THR
CB
39.359
1
16729
127
THR
CB
39.572
1
4385
54
THR
CB
40
1
16729
304
THR
CB
40.074
1
15835
170
THR
CB
40.508
1
6793
148
THR
CB
41.3
1
4074
85
THR
CB
42.85
1
16367
211
THR
CB
42.89
1
6035
104
THR
CB
43.1
1
16937
242
THR
CB
43.272
1
16937
238
THR
CB
43.419
1
16937
49
THR
CB
43.486
1
16937
218
THR
CB
43.667
1
16937
82
THR
CB
43.696
1
16937
250
THR
CB
43.736
1
16937
103
THR
CB
43.781
1
16937
131
THR
CB
43.789
1
16937
98
THR
CB
43.813
1
17103
71
THR
CB
43.831
1
16937
10
THR
CB
43.858
1
16937
112
THR
CB
43.894
1
16367
216
THR
CB
43.91
1
16937
97
THR
CB
43.941
1
16937
6
THR
CB
44.027
1
7121
24
THR
CB
44.5
1
16937
220
THR
CB
44.672
1
16367
1
THR
CB
44.79
1
16367
143
THR
CB
44.82
1
16367
151
THR
CB
44.88
1
16937
9
THR
CB
45.069
1
16367
159
THR
CB
45.16
1
16395
223
THR
CB
45.23
1
16367
69
THR
CB
45.27
1
5500
60
THR
CB
45.382
9
16367
2
THR
CB
45.6
1
16367
266
THR
CB
45.79
1
16367
241
THR
CB
46.58
1
16367
113
THR
CB
46.79
1
16367
10
THR
CB
47.3
1
16937
47
THR
CB
47.478
1
5008
77
THR
CB
7
1