THR HG2 Chemical Shift Outliers

___________________________________________________
THR HG2 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
28389
1.137
-.973
3.28
0.214


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
10093
23
THR
HG2
1.797
1
5018
74
THR
HG2
1.8
.
16018
84
THR
HG2
1.801
1
15924
108
THR
HG2
1.817
1
17399
146
THR
HG2
1.83
1
15719
90
THR
HG2
1.832
1
26054
18
THR
HG2
1.8333
1
6380
74
THR
HG2
1.84
1
11078
130
THR
HG2
1.847
1
11299
18
THR
HG2
1.864
1
18504
26
THR
HG2
1.874
1
19044
89
THR
HG2
1.89
1
15001
18
THR
HG2
1.895
1
17399
32
THR
HG2
1.9
1
17399
135
THR
HG2
1.9
1
6093
8
THR
HG2
1.9
1
16841
131
THR
HG2
1.95
1
15204
71
THR
HG2
1.951
1
17399
130
THR
HG2
1.97
1
16636
14
THR
HG2
1.995
1
18303
2
THR
HG2
2.005
1
27192
44
THR
HG2
2.007
1
5866
45
THR
HG2
2.04
1
16874
58
THR
HG2
2.051
1
15498
71
THR
HG2
2.059
1
25693
10
THR
HG2
2.15
1
668
24
THR
HG2
2.18
1
216
19
THR
HG2
2.24
1
217
19
THR
HG2
2.25
1
19397
14
THR
HG2
2.492
.
15446
27
THR
HG2
3.002
2
668
83
THR
HG2
3.28
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
11256
26
THR
HG2
-.001
1
6010
10
THR
HG2
-.007
.
216
28
THR
HG2
-.01
1
5347
37
THR
HG2
-.017
1
19117
128
THR
HG2
-.018
1
16350
24
THR
HG2
-.019
1
5974
61
THR
HG2
-.021
1
19153
128
THR
HG2
-.021
1
11010
75
THR
HG2
-.033
1
17021
109
THR
HG2
-.034
1
11531
45
THR
HG2
-.036
.
17157
88
THR
HG2
-.04
1
4567
141
THR
HG2
-.04
1
18200
54
THR
HG2
-.046
1
17239
22
THR
HG2
-.063
1
17633
47
THR
HG2
-.064
1
15092
144
THR
HG2
-.083
1
19984
92
THR
HG2
-.09
1
25885
12
THR
HG2
-.093
1
17238
22
THR
HG2
-.096
1
34149
24
THR
HG2
-.096
1
16731
36
THR
HG2
-.098
1
6705
83
THR
HG2
-.107
.
10285
68
THR
HG2
-.108
1
16336
125
THR
HG2
-.12
1
6539
79
THR
HG2
-.152
1
25028
62
THR
HG2
-.158
1
16872
57
THR
HG2
-.159
1
5879
21
THR
HG2
-.16
1
16544
40
THR
HG2
-.164
1
17111
188
THR
HG2
-.173
1
4161
61
THR
HG2
-.18
1
16572
70
THR
HG2
-.183
1
10250
45
THR
HG2
-.186
1
6536
79
THR
HG2
-.187
1
26909
62
THR
HG2
-.189
1
16841
71
THR
HG2
-.19
1
10047
54
THR
HG2
-.195
1
2852
85
THR
HG2
-.2
1
16790
59
THR
HG2
-.209
1
6324
30
THR
HG2
-.211
1
18419
113
THR
HG2
-.216
1
11106
53
THR
HG2
-.243
1
4830
71
THR
HG2
-.26
1
17323
61
THR
HG2
-.28
1
7371
31
THR
HG2
-.287
1
19984
100
THR
HG2
-.3
1
15097
90
THR
HG2
-.3
1
6148
177
THR
HG2
-.303
1
18046
90
THR
HG2
-.315
1
17139
54
THR
HG2
-.326
1
18853
171
THR
HG2
-.334
1
17633
150
THR
HG2
-.346
1
17232
128
THR
HG2
-.369
1
7285
54
THR
HG2
-.37
1
5224
69
THR
HG2
-.37
1
18987
139
THR
HG2
-.427
1
17160
97
THR
HG2
-.43
1
16846
110
THR
HG2
-.463
.
11214
37
THR
HG2
-.469
1
18812
54
THR
HG2
-.47
1
16712
75
THR
HG2
-.473
1
5819
76
THR
HG2
-.48
1
18081
66
THR
HG2
-.481
1
19654
90
THR
HG2
-.488
.
16713
75
THR
HG2
-.526
1
18346
16
THR
HG2
-.683
1
19312
21
THR
HG2
-.757
1
11098
49
THR
HG2
-.82
1
4423
15
THR
HG2
-.83
1
34149
34
THR
HG2
-.835
1
15094
88
THR
HG2
-.84
1
16812
13
THR
HG2
-.922
2
17736
36
THR
HG2
-.94
1
18095
62
THR
HG2
-.973
1
5623
55
THR
HG2
.003
1
26777
63
THR
HG2
.003
1
15407
11
THR
HG2
.01
1
26776
63
THR
HG2
.01
1
6003
68
THR
HG2
.014
1
6371
69
THR
HG2
.02
1
5115
65
THR
HG2
.02
1
11281
46
THR
HG2
.022
1
18053
80
THR
HG2
.025
1
4929
56
THR
HG2
.03
1
30034
62
THR
HG2
.03
1
6620
48
THR
HG2
.03
1
17577
90
THR
HG2
.04
1
15127
107
THR
HG2
.04
1
10283
58
THR
HG2
.04
1
4510
30
THR
HG2
.04
1
7231
45
THR
HG2
.044
1
7070
130
THR
HG2
.045
1
25464
35
THR
HG2
.05
1
27041
47
THR
HG2
.05
1
6202
140
THR
HG2
.05
1
15120
106
THR
HG2
.0539
.
18130
28
THR
HG2
.056
1
17927
134
THR
HG2
.058
1
34223
99
THR
HG2
.061
1
16406
38
THR
HG2
.062
1
19169
24
THR
HG2
.062
1
19757
99
THR
HG2
.069
1
34336
150
THR
HG2
.07
.
5012
38
THR
HG2
.07
1
4830
131
THR
HG2
.07
1
11230
87
THR
HG2
.071
1
16491
38
THR
HG2
.072
1
4342
108
THR
HG2
.08
1
34224
99
THR
HG2
.082
1
5976
51
THR
HG2
.088
1
16578
96
THR
HG2
.09
1
1474
20
THR
HG2
.09
1
27078
119
THR
HG2
.09
1
11081
6
THR
HG2
.095
1
5262
29
THR
HG2
.1
1
10060
20
THR
HG2
.103
1
16428
24
THR
HG2
.105
1
1230
35
THR
HG2
.11
1
16176
24
THR
HG2
.114
1
4425
40
THR
HG2
.117
1
11153
15
THR
HG2
.118
1
6724
82
THR
HG2
.118
.
4964
16
THR
HG2
.12
1
19539
58
THR
HG2
.124
1
7025
50
THR
HG2
.125
1
16908
36
THR
HG2
.126
1
17805
36
THR
HG2
.126
1
26619
16
THR
HG2
.13
.
30537
93
THR
HG2
.13
1
16413
40
THR
HG2
.131
1
5880
56
THR
HG2
.132
1
19842
192
THR
HG2
.136
1
25761
6
THR
HG2
.136
.
25026
95
THR
HG2
.139
1
4159
10
THR
HG2
.14
1
18441
78
THR
HG2
.14
1
34153
63
THR
HG2
.14
1
15849
54
THR
HG2
.145
1
15793
69
THR
HG2
.146
1
4752
18
THR
HG2
.147
1
18883
142
THR
HG2
.148
.
18521
97
THR
HG2
.15
1
19984
85
THR
HG2
.15
1
7108
15
THR
HG2
.152
1
6345
89
THR
HG2
.153
.
19235
32
THR
HG2
.154
1
10312
37
THR
HG2
.158
1
15595
45
THR
HG2
.159
1
7109
15
THR
HG2
.16
1
7126
16
THR
HG2
.16
1
19971
16
THR
HG2
.16
1
4036
30
THR
HG2
.16
1
4410
22
THR
HG2
.16
1
4833
5
THR
HG2
.16
1
975
16
THR
HG2
.16
1
19449
73
THR
HG2
.162
.
16051
51
THR
HG2
.17
1
16154
51
THR
HG2
.17
1
611
64
THR
HG2
.17
1
7087
32
THR
HG2
.17
1
17074
48
THR
HG2
.173
1
16372
75
THR
HG2
.174
1
10322
83
THR
HG2
.175
1
15028
15
THR
HG2
.176
1
1566
35
THR
HG2
.18
1
5822
61
THR
HG2
.18
1
27041
87
THR
HG2
.18
1
1567
35
THR
HG2
.18
1
5823
179
THR
HG2
.18
1
7272
69
THR
HG2
.184
1
17132
28
THR
HG2
.185
1
4036
64
THR
HG2
.19
1
34048
22
THR
HG2
.19
1
16347
103
THR
HG2
.19
1
16899
36
THR
HG2
.192
1
15809
54
THR
HG2
.195
1
19108
164
THR
HG2
.196
.
17076
48
THR
HG2
.199
1
16682
90
THR
HG2
.2
1
19195
64
THR
HG2
.2
1
17092
21
THR
HG2
.205
2
11061
104
THR
HG2
.206
1
16001
95
THR
HG2
.211
1
6807
225
THR
HG2
.212
1
11516
134
THR
HG2
.219
1
15058
26
THR
HG2
.22
1
6162
39
THR
HG2
.22
1
6943
82
THR
HG2
.22
1
6759
39
THR
HG2
.221
.
6400
69
THR
HG2
.221
1
6406
63
THR
HG2
.222
1
25767
97
THR
HG2
.222
.
25387
74
THR
HG2
.226
1
17287
125
THR
HG2
.229
1
5267
77
THR
HG2
.23
1
4034
34
THR
HG2
.23
1
5606
76
THR
HG2
.23
1
6318
118
THR
HG2
.23
1
18505
99
THR
HG2
.23
.
19156
3
THR
HG2
.231
0
15424
75
THR
HG2
.232
2
18416
55
THR
HG2
.235
.
16689
23
THR
HG2
.24
1
10253
37
THR
HG2
.241
1
16738
228
THR
HG2
.245
1
25411
69
THR
HG2
.245
1
34015
68
THR
HG2
.245
1
16715
228
THR
HG2
.245
1
6401
69
THR
HG2
.246
1
10074
72
THR
HG2
.246
1
17319
93
THR
HG2
.248
1
4981
51
THR
HG2
.25
1
4082
108
THR
HG2
.25
1
6807
93
THR
HG2
.252
1
11096
52
THR
HG2
.254
1
6654
25
THR
HG2
.26
1
4766
86
THR
HG2
.26
.
16238
95
THR
HG2
.26
1
6840
66
THR
HG2
.26
1
5804
52
THR
HG2
.26
1
3441
51
THR
HG2
.26
1
17277
104
THR
HG2
.264
1
7326
24
THR
HG2
.264
.
7273
27
THR
HG2
.265
.
19235
82
THR
HG2
.266
1
18908
19
THR
HG2
.269
1
17505
47
THR
HG2
.27
1
5821
56
THR
HG2
.27
1
4796
30
THR
HG2
.27
1
30034
69
THR
HG2
.27
1
5823
56
THR
HG2
.27
1
25331
23
THR
HG2
.272
1
18909
20
THR
HG2
.272
1
25332
23
THR
HG2
.274
1
6370
9
THR
HG2
.274
.
6310
35
THR
HG2
.277
.
4173
111
THR
HG2
.28
1
5821
104
THR
HG2
.28
1
5823
104
THR
HG2
.28
1
5785
23
THR
HG2
.28
1
6363
4
THR
HG2
.28
1
25243
45
THR
HG2
.281
.
36161
66
THR
HG2
.281
1
25385
67
THR
HG2
.2814
1
5237
23
THR
HG2
.283
1
15893
54
THR
HG2
.287
.
18826
84
THR
HG2
.288
1
10050
52
THR
HG2
.288
1
6936
39
THR
HG2
.29
1
7280
18
THR
HG2
.29
1
6415
52
THR
HG2
.29
1
5539
20
THR
HG2
.29
1
16958
16
THR
HG2
.291
1
17505
79
THR
HG2
.291
1
17477
56
THR
HG2
.292
1
16632
95
THR
HG2
.296
1
17374
117
THR
HG2
.297
.
16317
76
THR
HG2
.299
1
4162
65
THR
HG2
.3
1
5241
63
THR
HG2
.3
1
6181
45
THR
HG2
.3
1
17467
100
THR
HG2
.3016
1
4148
25
THR
HG2
.304
9
19095
54
THR
HG2
.307
1
6400
41
THR
HG2
.307
1
10321
42
THR
HG2
.308
1
16632
95
THR
HG2
.309
1
16062
24
THR
HG2
.309
1
7160
51
THR
HG2
.31
.
18000
33
THR
HG2
.31
1
15120
18
THR
HG2
.31
.
5068
52
THR
HG2
.31
1
17358
59
THR
HG2
.31
1
5803
52
THR
HG2
.31
1
6467
39
THR
HG2
.311
.
34029
69
THR
HG2
.313
.
18282
68
THR
HG2
.313
1
11516
21
THR
HG2
.315
1
27151
40
THR
HG2
.316
1
6148
221
THR
HG2
.317
1
16357
13
THR
HG2
.317
1
16357
66
THR
HG2
.317
1
17127
128
THR
HG2
.319
1
569
51
THR
HG2
.32
1
1770
51
THR
HG2
.32
1
2858
51
THR
HG2
.32
1
27041
11
THR
HG2
.32
1
17300
70
THR
HG2
.321
1
25909
17
THR
HG2
.321
1
15922
35
THR
HG2
.322
.
36052
23
THR
HG2
.322
1
6093
114
THR
HG2
.323
1
15684
115
THR
HG2
.324
.
7131
128
THR
HG2
.325
1
17467
126
THR
HG2
.3258
1
18713
15
THR
HG2
.327
1
19290
62
THR
HG2
.327
1
19354
41
THR
HG2
.328
1
6786
73
THR
HG2
.328
1
25910
17
THR
HG2
.328
1
2446
51
THR
HG2
.33
1
6885
92
THR
HG2
.33
1
4242
96
THR
HG2
.33
1
4348
80
THR
HG2
.33
1
4562
51
THR
HG2
.33
1
4487
30
THR
HG2
.33
1
15610
56
THR
HG2
.33
1
17299
70
THR
HG2
.331
1
6749
27
THR
HG2
.331
1
30161
45
THR
HG2
.332
.
15126
50
THR
HG2
.333
1
27688
110
THR
HG2
.333
1
10275
45
THR
HG2
.333
1
17906
67
THR
HG2
.334
1
11338
41
THR
HG2
.337
1
19168
89
THR
HG2
.338
1
17110
131
THR
HG2
.339
1
27395
60
THR
HG2
.34
1
30220
16
THR
HG2
.34
1
1093
51
THR
HG2
.34
1
30220
16
THR
HG2
.34
1
10253
85
THR
HG2
.342
1
16009
43
THR
HG2
.343
1
19206
86
THR
HG2
.345
1
17388
38
THR
HG2
.346
1
11516
31
THR
HG2
.347
1
34131
89
THR
HG2
.349
1
15807
83
THR
HG2
.349
1
25798
76
THR
HG2
.349
1
257
100
THR
HG2
.35
1
18837
91
THR
HG2
.35
1
19625
98
THR
HG2
.35
2
256
99
THR
HG2
.35
1
4455
63
THR
HG2
.35
1
27536
84
THR
HG2
.35
1
25156
123
THR
HG2
.35
1
298
7
THR
HG2
.35
1
4070
71
THR
HG2
.35
1
25799
76
THR
HG2
.351
1
11590
58
THR
HG2
.359
1
16841
168
THR
HG2
.36
1
6476
39
THR
HG2
.36
1
7186
5
THR
HG2
.36
1
30352
44
THR
HG2
.361
1
19225
117
THR
HG2
.362
1
25760
81
THR
HG2
.362
.
30074
57
THR
HG2
.366
1
18663
129
THR
HG2
.368
1
11273
26
THR
HG2
.369
1
26909
102
THR
HG2
.369
1
1651
51
THR
HG2
.37
1
36055
23
THR
HG2
.37
1
5
21
THR
HG2
.37
1
15683
37
THR
HG2
.37
1
4446
63
THR
HG2
.37
.
5679
27
THR
HG2
.37
1
5772
37
THR
HG2
.374
1
18530
35
THR
HG2
.375
1
7107
83
THR
HG2
.376
1
15419
50
THR
HG2
.376
1
16958
18
THR
HG2
.376
1
17381
66
THR
HG2
.376
4
17720
5
THR
HG2
.377
1
36051
23
THR
HG2
.379
1
25790
15
THR
HG2
.38
.
25791
15
THR
HG2
.38
.
4455
14
THR
HG2
.38
1
11151
23
THR
HG2
.388
1
18051
47
THR
HG2
.388
1
16025
5
THR
HG2
.388
1
1208
53
THR
HG2
.39
1
25805
58
THR
HG2
.391
1
17113
16
THR
HG2
.39293
2
17950
30
THR
HG2
.393
.
27439
71
THR
HG2
.396
1
15893
140
THR
HG2
.396
.
11256
41
THR
HG2
.399
1
18663
37
THR
HG2
.4
1
4407
110
THR
HG2
.4
1
374
21
THR
HG2
.4
1
18765
69
THR
HG2
.401
1
19048
150
THR
HG2
.402
1
27019
83
THR
HG2
.402
.
16882
16
THR
HG2
.403
1
17104
18
THR
HG2
.404
1
15847
80
THR
HG2
.404
1
26947
85
THR
HG2
.405
1
18488
76
THR
HG2
.405
1
36077
71
THR
HG2
.406
1
18587
30
THR
HG2
.407
1
19047
150
THR
HG2
.407
1
16365
35
THR
HG2
.41
1
19392
55
THR
HG2
.41
.
6752
220
THR
HG2
.41
.
7280
20
THR
HG2
.41
1
18627
71
THR
HG2
.411
1
25925
4
THR
HG2
.411
1
76
52
THR
HG2
.411
1
11083
150
THR
HG2
.412
1
18415
40
THR
HG2
.412
1
36054
23
THR
HG2
.412
1
19047
150
THR
HG2
.413
1
18487
21
THR
HG2
.413
1
15925
112
THR
HG2
.414
1
19394
16
THR
HG2
.414
1
30290
69
THR
HG2
.416
.
25125
31
THR
HG2
.416
1
17279
108
THR
HG2
.417
1
11507
88
THR
HG2
.417
1
4299
1
THR
HG2
.42
9
6753
135
THR
HG2
.42
.
17260
205
THR
HG2
.42
1
15253
96
THR
HG2
.42
1
36078
71
THR
HG2
.42
1
196
23
THR
HG2
.42
1
30249
45
THR
HG2
.421
1
19048
150
THR
HG2
.422
1
16662
76
THR
HG2
.424
1
10058
12
THR
HG2
.425
1
15723
97
THR
HG2
.426
2
19713
5
THR
HG2
.426
1
4109
6
THR
HG2
.428
1
25310
18
THR
HG2
.428
1
5558
31
THR
HG2
.428
1
16665
76
THR
HG2
.428
1
6876
105
THR
HG2
.429
1
6244
31
THR
HG2
.43
1
2575
18
THR
HG2
.43
1
5069
52
THR
HG2
.43
1
18531
18
THR
HG2
.43
1
7159
51
THR
HG2
.43
.
5998
109
THR
HG2
.43
1
6401
41
THR
HG2
.43
1
17242
71
THR
HG2
.432
.
19056
131
THR
HG2
.434
1
16444
16
THR
HG2
.435
1
27148
44
THR
HG2
.435
1
25124
31
THR
HG2
.435
1
11451
3
THR
HG2
.436
1
16897
56
THR
HG2
.438
1
17452
8
THR
HG2
.4386
1
15035
38
THR
HG2
.44
1
5297
30
THR
HG2
.44
1
6551
38
THR
HG2
.44
.
7019
87
THR
HG2
.44
1
5465
53
THR
HG2
.44
1
5211
5
THR
HG2
.442
.
7371
59
THR
HG2
.444
1
17476
64
THR
HG2
.445
1
19704
14
THR
HG2
.445
1
25909
19
THR
HG2
.446
1
17735
113
THR
HG2
.447
1
6090
73
THR
HG2
.447
1
19321
100
THR
HG2
.447
1
19928
143
THR
HG2
.449
1
17989
81
THR
HG2
.45
1
16147
57
THR
HG2
.45
1
2539
26
THR
HG2
.45
1
4173
23
THR
HG2
.45
1
11112
97
THR
HG2
.45
1
15023
21
THR
HG2
.45
1
15059
160
THR
HG2
.451
1
4371
60
THR
HG2
.451
.
17024
28
THR
HG2
.451
1
18325
7
THR
HG2
.453
1
15919
34
THR
HG2
.454
1
18152
121
THR
HG2
.456
1
17111
84
THR
HG2
.456
1
6988
22
THR
HG2
.456
2
18486
76
THR
HG2
.456
1
19735
133
THR
HG2
.457
1
19394
18
THR
HG2
.458
1
11328
49
THR
HG2
.458
1
16172
14
THR
HG2
.46
1
18531
16
THR
HG2
.46
1
18044
98
THR
HG2
.46
1
25277
102
THR
HG2
.46
1
5685
34
THR
HG2
.46
1
19087
78
THR
HG2
.461
1
25807
18
THR
HG2
.461
1
30223
18
THR
HG2
.462
1
30222
18
THR
HG2
.462
1
18015
8
THR
HG2
.463
1
7036
7
THR
HG2
.464
1
16250
24
THR
HG2
.465
1
16021
30
THR
HG2
.466
1
11073
30
THR
HG2
.467
1
17268
71
THR
HG2
.467
1
19711
41
THR
HG2
.468
1
4109
6
THR
HG2
.469
1
15567
84
THR
HG2
.47
1
6371
34
THR
HG2
.47
1
5151
19
THR
HG2
.47
1
4264
64
THR
HG2
.47
1
11591
88
THR
HG2
.472
1
19053
140
THR
HG2
.472
1
10150
55
THR
HG2
.473
1
25807
16
THR
HG2
.474
1
18434
87
THR
HG2
.476
1
18443
39
THR
HG2
.476
1
6201
5
THR
HG2
.479
1
15028
63
THR
HG2
.479
1
18046
36
THR
HG2
.48
1
15212
77
THR
HG2
.48
1
6794
102
THR
HG2
.48
1
27078
58
THR
HG2
.48
1
4242
94
THR
HG2
.48
1
192
23
THR
HG2
.48
1
18255
52
THR
HG2
.48
1
5389
72
THR
HG2
.48
1
6502
42
THR
HG2
.481
1
6158
53
THR
HG2
.483
1
4109
6
THR
HG2
.483
2
17023
28
THR
HG2
.484
1
5303
31
THR
HG2
.484
1
17523
63
THR
HG2
.485
1
11594
77
THR
HG2
.487
1
27031
26
THR
HG2
.487
1
11274
29
THR
HG2
.487
1
11327
30
THR
HG2
.487
1
36101
77
THR
HG2
.488
1
18717
123
THR
HG2
.488
1
16882
18
THR
HG2
.489
1
6724
95
THR
HG2
.489
.
15811
45
THR
HG2
.489
1
7109
63
THR
HG2
.489
1
6201
5
THR
HG2
.489
1
18734
90
THR
HG2
.489
1
5151
17
THR
HG2
.49
1
5951
53
THR
HG2
.49
1
4827
50
THR
HG2
.49
.
27030
26
THR
HG2
.49
1
7226
104
THR
HG2
.49
1
16171
14
THR
HG2
.49
1
4527
31
THR
HG2
.49
1
36013
77
THR
HG2
.492
1
25472
33
THR
HG2
.4929
1
18546
33
THR
HG2
.493
1
17995
88
THR
HG2
.493
1
36050
23
THR
HG2
.494
1
6134
16
THR
HG2
0
1