THR HG2 Chemical Shift Outliers

___________________________________________________
THR HG2 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
38720
1.137
-12.1
16.3
0.281


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
16636
14
THR
HG2
1.995
1
3084
200
THR
HG2
15.4
1
3085
200
THR
HG2
16.3
1
5827
28
THR
HG2
2
1
16307
37
THR
HG2
2
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
25907
28
THR
HG2
2.055
.
15498
71
THR
HG2
2.059
1
218
23
THR
HG2
2.06
1
5372
28
THR
HG2
2.06
1
4291
14
THR
HG2
2.063
1
5406
28
THR
HG2
2.068
1
5333
14
THR
HG2
2.08
1
1170
28
THR
HG2
2.09
1
190
24
THR
HG2
2.09
1
4189
28
THR
HG2
2.09
1
17903
83
THR
HG2
2.104
.
19854
32
THR
HG2
2.104
1
5239
98
THR
HG2
2.14
1
25693
10
THR
HG2
2.15
1
5026
78
THR
HG2
2.15
.
16443
98
THR
HG2
2.151
1
17903
24
THR
HG2
2.158
.
923
24
THR
HG2
2.16
1
346
24
THR
HG2
2.16
1
1719
24
THR
HG2
2.17
1
19638
24
THR
HG2
2.174
.
668
24
THR
HG2
2.18
1
5828
19
THR
HG2
2.18
1
25640
19
THR
HG2
2.183
1
4435
102
THR
HG2
2.19
1
1171
19
THR
HG2
2.19
1
665
19
THR
HG2
2.21
1
25908
19
THR
HG2
2.216
.
664
19
THR
HG2
2.22
1
5625
98
THR
HG2
2.22
1
667
25
THR
HG2
2.23
1
6634
98
THR
HG2
2.23
1
666
19
THR
HG2
2.24
1
216
19
THR
HG2
2.24
1
217
19
THR
HG2
2.25
1
274
19
THR
HG2
2.27
1
7218
32
THR
HG2
2.28
.
25477
63
THR
HG2
2.302
1
5026
19
THR
HG2
2.33
.
219
25
THR
HG2
2.33
1
1394
85
THR
HG2
2.34
1
329
85
THR
HG2
2.34
1
5466
11
THR
HG2
2.39
.
4182
5
THR
HG2
2.421
.
19397
14
THR
HG2
2.492
.
4837
54
THR
HG2
2.62
1
6444
18
THR
HG2
2.623
.
6444
100
THR
HG2
2.682
.
25088
66
THR
HG2
2.685
1
1841
180
THR
HG2
2.75
1
1839
180
THR
HG2
2.8
1
17144
77
THR
HG2
2.86
1
131
17
THR
HG2
2.97
1
15446
27
THR
HG2
3.002
2
19638
83
THR
HG2
3.14
.
1719
83
THR
HG2
3.17
1
190
83
THR
HG2
3.22
1
668
83
THR
HG2
3.28
1
4777
76
THR
HG2
3.35
1
346
83
THR
HG2
3.37
1
923
83
THR
HG2
3.37
1
666
78
THR
HG2
3.4
1
1171
78
THR
HG2
3.43
1
25640
78
THR
HG2
3.459
1
665
78
THR
HG2
3.46
1
664
78
THR
HG2
3.49
1
25908
78
THR
HG2
3.538
.
667
84
THR
HG2
3.54
1
274
78
THR
HG2
3.58
1
5572
5
THR
HG2
3.65
1
15357
44
THR
HG2
3.88
1
1394
78
THR
HG2
4.07
1
329
78
THR
HG2
4.07
1
4435
50
THR
HG2
4.17
1
15357
120
THR
HG2
4.33
1
4688
20
THR
HG2
4.347
1
17640
152
THR
HG2
4.357
1
17643
30
THR
HG2
4.885
1
17643
70
THR
HG2
4.932
1
17643
179
THR
HG2
5.074
1
15158
99
THR
HG2
5.176
1
17643
225
THR
HG2
5.379
1
17643
204
THR
HG2
5.874
1
27197
67
THR
HG2
6.446
1
25681
29
THR
HG2
7.849
.
25679
29
THR
HG2
8.289
.


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
.
5828
28
THR
HG2
-.01
1
216
28
THR
HG2
-.01
1
5347
37
THR
HG2
-.017
1
19117
128
THR
HG2
-.018
1
16350
24
THR
HG2
-.019
1
274
28
THR
HG2
-.02
1
4435
28
THR
HG2
-.02
1
19153
128
THR
HG2
-.021
1
5974
61
THR
HG2
-.021
1
25802
57
THR
HG2
-.025
1
17953
48
THR
HG2
-.03
.
25985
162
THR
HG2
-.031
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
17755
22
THR
HG2
-.055
1
16443
32
THR
HG2
-.058
1
19043
18
THR
HG2
-.062
1
17239
22
THR
HG2
-.063
1
17633
47
THR
HG2
-.064
1
25640
28
THR
HG2
-.068
1
15092
144
THR
HG2
-.083
1
4867
52
THR
HG2
-.09
1
19984
92
THR
HG2
-.09
1
25908
28
THR
HG2
-.091
.
19608
48
THR
HG2
-.093
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
16098
104
THR
HG2
-.099
1
822
48
THR
HG2
-.1
1
6705
83
THR
HG2
-.107
.
10285
68
THR
HG2
-.108
1
16336
125
THR
HG2
-.12
1
25513
48
THR
HG2
-.122
1
18714
57
THR
HG2
-.127
1
7165
67
THR
HG2
-.131
1
25153
121
THR
HG2
-.132
.
4291
24
THR
HG2
-.134
1
18165
11
THR
HG2
-.134
.
16909
11
THR
HG2
-.135
1
19566
39
THR
HG2
-.139
1
821
48
THR
HG2
-.15
1
6539
79
THR
HG2
-.152
1
16678
167
THR
HG2
-.153
1
5874
16
THR
HG2
-.154
1
25028
62
THR
HG2
-.158
1
5981
38
THR
HG2
-.159
1
16872
57
THR
HG2
-.159
1
5879
21
THR
HG2
-.16
1
7195
38
THR
HG2
-.16
.
6295
26
THR
HG2
-.16
1
15805
88
THR
HG2
-.16
1
16544
40
THR
HG2
-.164
1
17111
188
THR
HG2
-.173
1
5333
24
THR
HG2
-.18
1
4161
61
THR
HG2
-.18
1
16942
117
THR
HG2
-.181
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
17694
105
THR
HG2
-.19
.
18662
8
THR
HG2
-.19
1
16841
71
THR
HG2
-.19
1
25155
121
THR
HG2
-.19
.
10047
54
THR
HG2
-.195
1
19565
39
THR
HG2
-.196
1
19567
39
THR
HG2
-.196
1
2852
85
THR
HG2
-.2
1
16790
59
THR
HG2
-.209
1
6324
30
THR
HG2
-.211
1
15581
102
THR
HG2
-.213
1
18419
113
THR
HG2
-.216
1
26771
16
THR
HG2
-.224
1
4436
28
THR
HG2
-.23
1
5026
28
THR
HG2
-.23
.
25342
50
THR
HG2
-.24
1
11106
53
THR
HG2
-.243
1
19564
39
THR
HG2
-.25
1
4830
71
THR
HG2
-.26
1
10120
96
THR
HG2
-.267
1
17323
61
THR
HG2
-.28
1
15344
30
THR
HG2
-.281
1
10286
32
THR
HG2
-.286
1
7371
31
THR
HG2
-.287
1
10165
68
THR
HG2
-.3
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
5536
82
THR
HG2
-.328
1
4321
115
THR
HG2
-.33
1
18853
171
THR
HG2
-.334
1
17633
150
THR
HG2
-.346
1
18547
52
THR
HG2
-.36
1
17232
128
THR
HG2
-.369
1
5224
69
THR
HG2
-.37
1
7285
54
THR
HG2
-.37
1
672
63
THR
HG2
-.4
1
5239
14
THR
HG2
-.4
1
18987
139
THR
HG2
-.427
1
17160
97
THR
HG2
-.43
1
673
63
THR
HG2
-.45
1
6965
76
THR
HG2
-.46
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
30610
90
THR
HG2
-.488
.
19654
90
THR
HG2
-.488
.
4158
53
THR
HG2
-.51
1
16713
75
THR
HG2
-.526
1
4436
50
THR
HG2
-.56
1
17863
132
THR
HG2
-.566
1
18346
16
THR
HG2
-.683
1
19312
21
THR
HG2
-.757
1
16443
77
THR
HG2
-.792
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
17251
175
THR
HG2
-.873
1
16812
13
THR
HG2
-.922
2
17736
36
THR
HG2
-.94
1
18095
62
THR
HG2
-.973
1
15578
288
THR
HG2
-1.186
1
7414
116
THR
HG2
-1.211
1
1751
63
THR
HG2
-1.3
1
1752
67
THR
HG2
-1.45
1
291
67
THR
HG2
-1.51
1
4667
5
THR
HG2
-1.9
1
3085
199
THR
HG2
-12.1
1
3084
199
THR
HG2
-8.5
1
26777
63
THR
HG2
.003
1
5623
55
THR
HG2
.003
1
5931
37
THR
HG2
.008
1
26776
63
THR
HG2
.01
1
15407
11
THR
HG2
.01
1
665
28
THR
HG2
.01
1
6003
68
THR
HG2
.014
1
6371
69
THR
HG2
.02
1
1171
28
THR
HG2
.02
1
5115
65
THR
HG2
.02
1
11281
46
THR
HG2
.022
1
18053
80
THR
HG2
.025
1
11082
6
THR
HG2
.027
1
30034
62
THR
HG2
.03
1
15089
25
THR
HG2
.03
1
4553
85
THR
HG2
.03
1
6620
48
THR
HG2
.03
1
4929
56
THR
HG2
.03
1
18393
36
THR
HG2
.039
1
26638
112
THR
HG2
.0396
1
15127
107
THR
HG2
.04
1
10283
58
THR
HG2
.04
1
4510
30
THR
HG2
.04
1
17577
90
THR
HG2
.04
1
27417
133
THR
HG2
.042
1
7231
45
THR
HG2
.044
1
7070
130
THR
HG2
.045
1
4700
75
THR
HG2
.048
1
27041
47
THR
HG2
.05
1
666
28
THR
HG2
.05
1
25464
35
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
5012
38
THR
HG2
.07
1
34336
150
THR
HG2
.07
.
4830
131
THR
HG2
.07
1
11230
87
THR
HG2
.071
1
16807
96
THR
HG2
.072
1
16491
38
THR
HG2
.072
1
34140
157
THR
HG2
.073
1
4342
108
THR
HG2
.08
1
5983
63
THR
HG2
.08
1
34224
99
THR
HG2
.082
1
5976
51
THR
HG2
.088
1
5741
35
THR
HG2
.09
1
5363
34
THR
HG2
.09
1
16578
96
THR
HG2
.09
1
27078
119
THR
HG2
.09
1
1474
20
THR
HG2
.09
1
6053
124
THR
HG2
.09
1
4426
40
THR
HG2
.093
1
11081
6
THR
HG2
.095
1
5262
29
THR
HG2
.1
1
17151
38
THR
HG2
.101
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
6054
124
THR
HG2
.12
1
26748
45
THR
HG2
.122
1
19539
58
THR
HG2
.124
1
7025
50
THR
HG2
.125
1
17805
36
THR
HG2
.126
1
18844
36
THR
HG2
.126
.
16908
36
THR
HG2
.126
1
30537
93
THR
HG2
.13
1
26619
16
THR
HG2
.13
.
16413
40
THR
HG2
.131
1
5880
56
THR
HG2
.132
1
4700
25
THR
HG2
.132
1
26620
16
THR
HG2
.133
.
25761
6
THR
HG2
.136
.
19842
192
THR
HG2
.136
1
17583
29
THR
HG2
.138
.
25026
95
THR
HG2
.139
1
4159
10
THR
HG2
.14
1
34153
63
THR
HG2
.14
1
18441
78
THR
HG2
.14
1
25342
42
THR
HG2
.142
1
15849
54
THR
HG2
.145
1
15793
69
THR
HG2
.146
1
4752
18
THR
HG2
.147
1
18883
142
THR
HG2
.148
.
19984
85
THR
HG2
.15
1
18521
97
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
4833
5
THR
HG2
.16
1
19971
16
THR
HG2
.16
1
4036
30
THR
HG2
.16
1
4410
22
THR
HG2
.16
1
7126
16
THR
HG2
.16
1
975
16
THR
HG2
.16
1
7109
15
THR
HG2
.16
1
19449
73
THR
HG2
.162
.
30133
146
THR
HG2
.169
9
19945
122
THR
HG2
.169
.
16051
51
THR
HG2
.17
1
611
64
THR
HG2
.17
1
16154
51
THR
HG2
.17
1
7087
32
THR
HG2
.17
1
17074
48
THR
HG2
.173
1
6312
17
THR
HG2
.174
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
27041
87
THR
HG2
.18
1
1567
35
THR
HG2
.18
1
5823
179
THR
HG2
.18
1
4078
107
THR
HG2
.18
1
5822
61
THR
HG2
.18
1
25379
154
THR
HG2
.181
1
11592
10
THR
HG2
.182
1
7272
69
THR
HG2
.184
1
17132
28
THR
HG2
.185
1
15932
124
THR
HG2
.189
1
34048
22
THR
HG2
.19
1
16347
103
THR
HG2
.19
1
4036
64
THR
HG2
.19
1
7114
225
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
19195
64
THR
HG2
.2
1
6793
47
THR
HG2
.2
1
16682
90
THR
HG2
.2
1
15578
106
THR
HG2
.203
1
6444
106
THR
HG2
.204
.
17092
21
THR
HG2
.205
2
11061
104
THR
HG2
.206
1
5094
85
THR
HG2
.206
.
10082
38
THR
HG2
.209
1
15361
18
THR
HG2
.209
1
16001
95
THR
HG2
.211
1
6807
225
THR
HG2
.212
1
15361
103
THR
HG2
.213
1
16481
92
THR
HG2
.216
1
11516
134
THR
HG2
.219
1
18919
60
THR
HG2
.219
.
15058
26
THR
HG2
.22
1
6943
82
THR
HG2
.22
1
6162
39
THR
HG2
.22
1
6400
69
THR
HG2
.221
1
6759
39
THR
HG2
.221
.
25767
97
THR
HG2
.222
.
6406
63
THR
HG2
.222
1
25387
74
THR
HG2
.226
1
10272
13
THR
HG2
.228
1
17287
125
THR
HG2
.229
1
4034
34
THR
HG2
.23
1
5606
76
THR
HG2
.23
1
7114
93
THR
HG2
.23
1
6318
118
THR
HG2
.23
1
5267
77
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
.
18321
97
THR
HG2
.2379
1
16689
23
THR
HG2
.24
1
15778
23
THR
HG2
.241
1
10253
37
THR
HG2
.241
1
25411
69
THR
HG2
.245
1
34015
68
THR
HG2
.245
1
16715
228
THR
HG2
.245
1
16738
228
THR
HG2
.245
1
6401
69
THR
HG2
.246
1
10074
72
THR
HG2
.246
1
17319
93
THR
HG2
.248
1
5625
24
THR
HG2
.25
1
16316
41
THR
HG2
.25
1
4082
108
THR
HG2
.25
1
6797
73
THR
HG2
.25
1
4981
51
THR
HG2
.25
1
6807
93
THR
HG2
.252
1
11096
52
THR
HG2
.254
1
4766
86
THR
HG2
.26
.
5804
52
THR
HG2
.26
1
6654
25
THR
HG2
.26
1
6840
66
THR
HG2
.26
1
3441
51
THR
HG2
.26
1
16238
95
THR
HG2
.26
1
7326
24
THR
HG2
.264
.
25027
21
THR
HG2
.264
1
17277
104
THR
HG2
.264
1
7273
27
THR
HG2
.265
.
19235
82
THR
HG2
.266
1
25382
14
THR
HG2
.269
.
18908
19
THR
HG2
.269
1
4330
200
THR
HG2
.27
.
5821
56
THR
HG2
.27
1
4796
30
THR
HG2
.27
1
17505
47
THR
HG2
.27
1
5823
56
THR
HG2
.27
1
30034
69
THR
HG2
.27
1
18909
20
THR
HG2
.272
1
25331
23
THR
HG2
.272
1
6370
9
THR
HG2
.274
.
25332
23
THR
HG2
.274
1
6310
35
THR
HG2
.277
.
27690
64
THR
HG2
.278
.
5821
104
THR
HG2
.28
1
5823
104
THR
HG2
.28
1
5785
23
THR
HG2
.28
1
6363
4
THR
HG2
.28
1
4173
111
THR
HG2
.28
1
25243
45
THR
HG2
.281
.
25489
98
THR
HG2
.281
1
36161
66
THR
HG2
.281
1
25385
67
THR
HG2
.2814
1
5237
23
THR
HG2
.283
1
4814
122
THR
HG2
.283
.
15304
59
THR
HG2
.283
1
15893
54
THR
HG2
.287
.
17246
20
THR
HG2
.287
1
17136
44
THR
HG2
.288
1
10050
52
THR
HG2
.288
1
18826
84
THR
HG2
.288
1
7280
18
THR
HG2
.29
1
6936
39
THR
HG2
.29
1
5539
20
THR
HG2
.29
1
6415
52
THR
HG2
.29
1
6634
24
THR
HG2
.29
1
17505
79
THR
HG2
.291
1
15558
56
THR
HG2
.291
1
16958
16
THR
HG2
.291
1
6298
93
THR
HG2
0
.
6134
16
THR
HG2
0
1
6298
27
THR
HG2
0
.
6298
100
THR
HG2
0
.
6298
98
THR
HG2
0
.
6298
120
THR
HG2
0
.