THR H Chemical Shift Outliers

___________________________________________________
THR H Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
46224
8.234
5.32
11.804
0.615


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
15505
40
THR
H
10.08394
1
27879
181
THR
H
10.086
1
34046
80
THR
H
10.091
1
27722
63
THR
H
10.09114
1
7242
63
THR
H
10.098
1
17938
31
THR
H
10.1
1
19968
23
THR
H
10.101
1
19048
108
THR
H
10.101
1
19657
37
THR
H
10.105
1
16869
159
THR
H
10.105
1
19498
55
THR
H
10.106
1
6468
228
THR
H
10.11
1
30139
110
THR
H
10.11
1
27400
69
THR
H
10.115
1
5886
137
THR
H
10.12
1
34088
208
THR
H
10.121
1
18021
81
THR
H
10.126
.
19048
108
THR
H
10.128
1
27218
107
THR
H
10.128
1
27133
168
THR
H
10.128
1
18161
35
THR
H
10.129
1
25957
37
THR
H
10.132
1
19047
108
THR
H
10.133
1
25341
44
THR
H
10.133
1
25420
49
THR
H
10.134
1
17940
226
THR
H
10.134
1
25832
50
THR
H
10.135
1
18278
15
THR
H
10.136
1
25341
44
THR
H
10.138
1
27133
168
THR
H
10.14
1
27738
14
THR
H
10.143
1
27159
117
THR
H
10.145
1
19240
14
THR
H
10.146
1
19241
14
THR
H
10.146
1
34009
69
THR
H
10.147
.
19417
5
THR
H
10.149
1
27859
35
THR
H
10.15
.
27217
107
THR
H
10.15
1
19047
108
THR
H
10.15
1
19432
37
THR
H
10.1524
1
16087
37
THR
H
10.153
1
16636
29
THR
H
10.154
1
27033
127
THR
H
10.154
1
26759
70
THR
H
10.163
1
26564
146
THR
H
10.164
1
34010
69
THR
H
10.17
.
19323
14
THR
H
10.173
.
19324
14
THR
H
10.173
.
25339
44
THR
H
10.174
1
11285
65
THR
H
10.176
1
18045
137
THR
H
10.18
1
19210
66
THR
H
10.18
1
5948
58
THR
H
10.18
1
26768
90
THR
H
10.18
1
25340
108
THR
H
10.18
1
5949
58
THR
H
10.18
1
26590
44
THR
H
10.1814
1
11160
27
THR
H
10.188
1
25030
107
THR
H
10.189
.
26586
44
THR
H
10.1893
1
6748
15
THR
H
10.19
.
6912
28
THR
H
10.19
1
27739
14
THR
H
10.19
1
25104
107
THR
H
10.191
.
25832
125
THR
H
10.194
1
27217
32
THR
H
10.197
1
19432
119
THR
H
10.1979
1
18312
110
THR
H
10.2
1
6132
151
THR
H
10.2
1
16216
66
THR
H
10.21
1
16925
14
THR
H
10.2104
1
27048
170
THR
H
10.212
1
27218
32
THR
H
10.212
1
25338
139
THR
H
10.214
1
27265
107
THR
H
10.218
1
4705
43
THR
H
10.223
1
16740
94
THR
H
10.23
.
27022
394
THR
H
10.233
1
6939
129
THR
H
10.233
.
27218
32
THR
H
10.235
1
25851
53
THR
H
10.237
1
4704
43
THR
H
10.24
1
25197
230
THR
H
10.241
1
25339
119
THR
H
10.241
1
19424
121
THR
H
10.242
1
5769
16
THR
H
10.242
.
11471
14
THR
H
10.245
.
27217
32
THR
H
10.246
1
18760
119
THR
H
10.247
.
16933
14
THR
H
10.2492
1
63
18
THR
H
10.25
1
16811
109
THR
H
10.25
1
27620
109
THR
H
10.25
1
18489
72
THR
H
10.252
1
6876
7
THR
H
10.257
1
25197
30
THR
H
10.259
1
27747
143
THR
H
10.263
1
27033
45
THR
H
10.263
1
5813
16
THR
H
10.267
1
16840
35
THR
H
10.269
1
4077
14
THR
H
10.27
1
16464
371
THR
H
10.27
1
2208
32
THR
H
10.28
1
25904
170
THR
H
10.282
1
5222
124
THR
H
10.29
1
19743
221
THR
H
10.291
1
16997
100
THR
H
10.295
1
17137
70
THR
H
10.302
1
6460
104
THR
H
10.303
1
6074
228
THR
H
10.304
1
25337
32
THR
H
10.307
1
17293
138
THR
H
10.309
1
27265
32
THR
H
10.309
1
27620
34
THR
H
10.31
1
2208
107
THR
H
10.31
1
19744
221
THR
H
10.312
1
19742
221
THR
H
10.312
1
12014
35
THR
H
10.3131
1
7310
32
THR
H
10.317
1
15706
220
THR
H
10.319
1
25104
32
THR
H
10.32
.
19615
221
THR
H
10.322
1
10057
25
THR
H
10.322
1
19169
41
THR
H
10.323
1
17127
63
THR
H
10.323
1
6141
32
THR
H
10.325
1
7271
53
THR
H
10.328
1
6141
107
THR
H
10.331
1
7310
107
THR
H
10.332
1
27159
35
THR
H
10.341
1
25341
119
THR
H
10.346
1
27082
92
THR
H
10.349
.
25292
132
THR
H
10.352
1
25341
119
THR
H
10.353
1
6279
44
THR
H
10.358
1
15505
115
THR
H
10.3619
1
19616
221
THR
H
10.362
1
25340
33
THR
H
10.363
1
5393
164
THR
H
10.375
1
25703
28
THR
H
10.381
1
25085
77
THR
H
10.382
1
16398
8
THR
H
10.385
1
27088
29
THR
H
10.386
1
5996
21
THR
H
10.389
1
16741
94
THR
H
10.39
.
4340
21
THR
H
10.39
1
16146
213
THR
H
10.398
1
5879
139
THR
H
10.399
1
16039
69
THR
H
10.408
1
19626
34
THR
H
10.415
1
27089
29
THR
H
10.418
1
5995
21
THR
H
10.418
1
16782
39
THR
H
10.42
1
16123
114
THR
H
10.42
1
5070
74
THR
H
10.43
1
17447
35
THR
H
10.433
1
18197
49
THR
H
10.443
1
15901
114
THR
H
10.445
1
18760
153
THR
H
10.454
.
6483
14
THR
H
10.457
.
275
18
THR
H
10.47
1
5813
84
THR
H
10.473
1
18013
120
THR
H
10.486
1
18726
28
THR
H
10.495
1
10078
67
THR
H
10.496
1
18939
9
THR
H
10.497
1
6207
67
THR
H
10.5
1
18741
121
THR
H
10.505
1
26767
73
THR
H
10.50658
.
18155
51
THR
H
10.509
1
18428
187
THR
H
10.511
1
19726
89
THR
H
10.519
1
27043
119
THR
H
10.524
1
17249
21
THR
H
10.53
1
11011
16
THR
H
10.535
1
276
18
THR
H
10.54
1
494
120
THR
H
10.54
1
25918
6
THR
H
10.5439
1
5842
29
THR
H
10.55
1
25422
19
THR
H
10.558
1
19971
16
THR
H
10.558
1
25758
30
THR
H
10.56
1
4705
145
THR
H
10.56
1
16385
88
THR
H
10.569
1
5314
85
THR
H
10.58
1
6114
46
THR
H
10.58
1
4704
145
THR
H
10.58
1
5627
20
THR
H
10.6
1
26052
119
THR
H
10.605
1
11011
84
THR
H
10.609
1
1583
120
THR
H
10.61
1
30378
32
THR
H
10.619
1
1581
127
THR
H
10.62
1
18045
162
THR
H
10.62
1
4052
120
THR
H
10.63
.
1874
120
THR
H
10.63
1
26986
28
THR
H
10.638
1
6838
47
THR
H
10.643
1
1584
120
THR
H
10.66
1
1582
127
THR
H
10.66
1
16917
153
THR
H
10.666
1
16918
153
THR
H
10.666
1
6748
9
THR
H
10.697
.
16585
120
THR
H
10.71
1
16009
31
THR
H
10.719
1
17792
36
THR
H
10.727
1
18788
120
THR
H
10.73
1
19711
29
THR
H
10.737
1
17371
35
THR
H
10.738
1
18477
163
THR
H
10.748
1
5898
108
THR
H
10.76
1
17736
54
THR
H
10.76
1
7423
28
THR
H
10.766
1
15798
12
THR
H
10.773
1
27691
295
THR
H
10.775
1
26980
32
THR
H
10.776
1
5898
174
THR
H
10.78
1
15797
12
THR
H
10.787
1
26979
32
THR
H
10.792
1
18373
41
THR
H
10.796
1
26984
32
THR
H
10.797
1
27564
85
THR
H
10.799
1
26981
32
THR
H
10.825
1
19990
31
THR
H
10.83
.
18779
15
THR
H
10.835
1
4908
113
THR
H
10.84
1
18411
93
THR
H
10.844
1
7130
232
THR
H
10.867
1
19990
31
THR
H
10.87
.
5816
165
THR
H
10.87
1
4264
30
THR
H
10.9
1
4264
30
THR
H
10.9
1
16846
93
THR
H
10.904
1
27550
27
THR
H
10.933
1
16395
244
THR
H
10.939
1
26722
147
THR
H
10.951
1
25463
120
THR
H
10.955
1
4972
30
THR
H
10.96
1
2371
30
THR
H
10.98
1
19083
219
THR
H
10.992
.
2060
30
THR
H
11.01
1
17274
30
THR
H
11.016
1
19885
219
THR
H
11.019
.
25462
120
THR
H
11.025
1
18775
135
THR
H
11.035
1
19047
85
THR
H
11.059
1
17890
122
THR
H
11.059
1
19047
85
THR
H
11.063
1
18246
88
THR
H
11.065
1
19048
85
THR
H
11.079
1
19048
85
THR
H
11.087
1
18245
88
THR
H
11.089
1
27445
18
THR
H
11.094
1
19013
78
THR
H
11.169
1
6726
37
THR
H
11.224
1
17902
122
THR
H
11.293
1
4589
69
THR
H
11.31
.
17076
48
THR
H
11.34
1
18422
79
THR
H
11.38
1
4834
14
THR
H
11.39
1
17074
48
THR
H
11.618
1
7423
29
THR
H
11.727
1
25243
45
THR
H
11.804
.


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
5880
56
THR
H
5.32
1
25950
87
THR
H
5.33271
.
25951
87
THR
H
5.37357
.
25951
87
THR
H
5.37357
.
5623
55
THR
H
5.544
1
15072
96
THR
H
5.7
1
6564
96
THR
H
5.7
1
27617
210
THR
H
5.73
1
7423
70
THR
H
5.735
1
17711
114
THR
H
5.7602
1
17437
104
THR
H
5.865
1
26832
183
THR
H
5.879
1
27798
104
THR
H
5.89
1
11146
61
THR
H
5.9
1
19366
72
THR
H
5.906
1
25400
82
THR
H
5.922
1
4705
91
THR
H
5.931
1
26837
183
THR
H
5.947
1
26844
34
THR
H
5.962
1
27617
228
THR
H
5.97
1
17477
154
THR
H
5.97
1
26814
183
THR
H
5.972
1
26836
183
THR
H
5.981
1
6159
18
THR
H
5.997
1
4704
91
THR
H
6.03
1
27587
108
THR
H
6.05
1
16475
191
THR
H
6.06
1
6944
54
THR
H
6.06
.
6584
119
THR
H
6.061
1
27191
104
THR
H
6.073
1
5976
89
THR
H
6.078
1
5382
32
THR
H
6.08
.
19245
77
THR
H
6.083
1
18155
76
THR
H
6.09
1
27185
104
THR
H
6.0918
1
26761
100
THR
H
6.099
.
4866
98
THR
H
6.1
.
5973
62
THR
H
6.108
.
19005
186
THR
H
6.11
1
16673
211
THR
H
6.112
1
25381
26
THR
H
6.124
1
7226
43
THR
H
6.13
1
6277
98
THR
H
6.135
1
19004
180
THR
H
6.14
1
16999
60
THR
H
6.142
1
16902
160
THR
H
6.146
1
27757
32
THR
H
6.148
1
19850
73
THR
H
6.17
.
15496
137
THR
H
6.17
1
16204
74
THR
H
6.175
1
7063
47
THR
H
6.177
1
26996
62
THR
H
6.18
.
17405
64
THR
H
6.188
1
4827
12
THR
H
6.2
.
18373
205
THR
H
6.204
1
17045
77
THR
H
6.207
1
17329
126
THR
H
6.208
1
17725
100
THR
H
6.214
1
10114
67
THR
H
6.216
1
19811
19
THR
H
6.219
1
17827
43
THR
H
6.22
1
16741
33
THR
H
6.22
.
4828
12
THR
H
6.22
.
11466
8
THR
H
6.22
1
18266
115
THR
H
6.224
1
11441
8
THR
H
6.23
1
16740
33
THR
H
6.23
.
16518
60
THR
H
6.232
1
19034
5
THR
H
6.242
1
5793
139
THR
H
6.25
1
25656
21
THR
H
6.252
.
18215
181
THR
H
6.254
1
18099
126
THR
H
6.2542
1
27521
208
THR
H
6.255
1
11010
58
THR
H
6.266
1
19703
93
THR
H
6.27
.
10282
62
THR
H
6.27
1
27048
25
THR
H
6.276
1
27520
425
THR
H
6.28
1
17827
77
THR
H
6.28
1
16649
42
THR
H
6.286
1
27411
36
THR
H
6.29
1
17922
80
THR
H
6.29
1
16982
10
THR
H
6.293
1
25904
25
THR
H
6.294
1
25665
44
THR
H
6.295
1
25451
66
THR
H
6.296
1
17804
278
THR
H
6.296
1
15170
190
THR
H
6.3
1
19850
73
THR
H
6.3
.
6055
81
THR
H
6.3
1
30171
60
THR
H
6.301
1
5182
93
THR
H
6.31
1
16085
123
THR
H
6.312
1
34325
38
THR
H
6.319
1
4011
91
THR
H
6.32
1
26873
53
THR
H
6.321
1
16395
190
THR
H
6.323
1
15207
14
THR
H
6.324
1
19204
35
THR
H
6.325
.
6460
70
THR
H
6.328
1
6047
81
THR
H
6.33
1
17364
20
THR
H
6.331
1
26927
53
THR
H
6.333
1
5182
137
THR
H
6.34
1
6727
33
THR
H
6.343
1
15752
45
THR
H
6.343
.
17804
278
THR
H
6.346
1
7189
75
THR
H
6.347
1
10318
27
THR
H
6.348
1
27020
117
THR
H
6.348
1
5590
50
THR
H
6.35
1
7189
75
THR
H
6.354
1
27082
266
THR
H
6.356
.
17328
126
THR
H
6.356
1
6542
269
THR
H
6.37
1
27282
54
THR
H
6.374
1
18517
43
THR
H
6.38
1
11113
97
THR
H
6.38
1
17288
69
THR
H
6.382
1
34068
57
THR
H
6.386
.