THR H Chemical Shift Outliers

___________________________________________________
THR H Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
39603
8.241
.02
115.483
0.845


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
5898
174
THR
H
10.78
1
15797
12
THR
H
10.787
1
18373
41
THR
H
10.796
1
4291
14
THR
H
10.818
1
16307
79
THR
H
10.82
1
18779
15
THR
H
10.835
1
4908
113
THR
H
10.84
1
18411
93
THR
H
10.844
1
16307
79
THR
H
10.86
1
7130
232
THR
H
10.867
1
5816
165
THR
H
10.87
1
4341
138
THR
H
10.875
1
15983
32
THR
H
10.89
1
4264
30
THR
H
10.9
1
4264
30
THR
H
10.9
1
16846
93
THR
H
10.904
1
5026
19
THR
H
10.93
.
16395
244
THR
H
10.939
1
15734
101
THR
H
10.94
1
4972
30
THR
H
10.96
1
2371
30
THR
H
10.98
1
16237
93
THR
H
10.99
1
29
30
THR
H
10.99
1
19083
219
THR
H
10.992
.
5333
14
THR
H
11
1
2060
30
THR
H
11.01
1
17274
30
THR
H
11.016
1
18379
30
THR
H
11.016
1
18775
135
THR
H
11.035
1
17890
122
THR
H
11.059
1
4954
3
THR
H
11.06
1
18246
88
THR
H
11.065
1
7297
92
THR
H
11.068
1
16306
79
THR
H
11.07
1
18245
88
THR
H
11.089
1
18424
79
THR
H
11.1
1
1673
14
THR
H
11.1
1
6602
129
THR
H
11.106
1
16426
48
THR
H
11.122
1
5466
11
THR
H
11.13
.
19013
78
THR
H
11.169
1
4205
45
THR
H
11.18
1
15488
83
THR
H
11.2
1
18423
79
THR
H
11.22
1
6726
37
THR
H
11.224
1
17902
122
THR
H
11.293
1
1379
13
THR
H
11.3
1
4589
69
THR
H
11.31
.
17076
48
THR
H
11.34
1
17947
79
THR
H
11.35
1
17947
79
THR
H
11.35
1
18422
79
THR
H
11.38
1
4834
14
THR
H
11.39
1
376
13
THR
H
11.4
1
10128
74
THR
H
11.447
1
15063
42
THR
H
11.574
1
17074
48
THR
H
11.618
1
5571
11
THR
H
11.63
1
7423
29
THR
H
11.727
1
17415
348
THR
H
11.82
1
5540
11
THR
H
11.9
1
5571
15
THR
H
11.99
1
18613
6
THR
H
115.483
1
5540
15
THR
H
12.2
1
6686
27
THR
H
21.7
.


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
7016
35
THR
H
.02
.
7016
42
THR
H
.02
.
7016
71
THR
H
.02
.
7016
4
THR
H
.02
.
4667
5
THR
H
.2
1
5897
68
THR
H
4.5021
1
6249
222
THR
H
4.79
1
4565
24
THR
H
5.12
1
6249
59
THR
H
5.12
1
16558
9
THR
H
5.169
1
16559
9
THR
H
5.219
1
6249
99
THR
H
5.26
1
5880
56
THR
H
5.32
1
16059
25
THR
H
5.326
1
4565
145
THR
H
5.37
1
5263
2
THR
H
5.426
.
15361
18
THR
H
5.492
1
5623
55
THR
H
5.544
1
6564
96
THR
H
5.7
1
15072
96
THR
H
5.7
1