THR CB Chemical Shift Outliers

___________________________________________________
THR CB Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
37606
69.703
29.97
81.526
1.721


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
16673
156
THR
CB
74.871
1
27352
64
THR
CB
74.888
1
5208
152
THR
CB
74.89
1
6052
91
THR
CB
74.9
1
6317
55
THR
CB
74.928
1
5814
78
THR
CB
74.94
1
16135
41
THR
CB
74.94
1
17893
55
THR
CB
74.945
.
17399
82
THR
CB
74.97
1
7286
57
THR
CB
75.02
1
11514
8
THR
CB
75.039
1
16598
155
THR
CB
75.08
1
6357
155
THR
CB
75.098
1
27617
155
THR
CB
75.1
1
19156
133
THR
CB
75.138
1
6838
158
THR
CB
75.184
1
18267
297
THR
CB
75.218
1
17892
55
THR
CB
75.269
.
30100
106
THR
CB
75.305
.
16033
28
THR
CB
75.348
1
26590
155
THR
CB
75.3908
1
34037
91
THR
CB
75.396
1
17944
4
THR
CB
75.4
1
26586
155
THR
CB
75.4159
1
15246
27
THR
CB
75.444
1
10266
25
THR
CB
75.464
1
17898
55
THR
CB
75.5
.
17896
55
THR
CB
75.5
.
19491
175
THR
CB
75.515
.
17897
55
THR
CB
75.522
.
17895
55
THR
CB
75.743
.
17894
55
THR
CB
75.743
.
27211
298
THR
CB
75.785
1
4049
13
THR
CB
75.8
1
6202
205
THR
CB
75.99
1
17507
125
THR
CB
75.99
1
6700
63
THR
CB
76.23
.
18303
182
THR
CB
76.351
1
17570
307
THR
CB
76.363
1
17499
239
THR
CB
76.41
1
5799
84
THR
CB
76.6
1
18303
158
THR
CB
76.641
1
4558
58
THR
CB
76.785
1
17869
5
THR
CB
76.87
1
17870
5
THR
CB
77.07
1
17871
5
THR
CB
77.36
1
6051
22
THR
CB
77.401
1
17873
5
THR
CB
77.64
1
27411
107
THR
CB
78.1
1
4063
149
THR
CB
78.3
1
17874
4
THR
CB
78.31
1
17872
4
THR
CB
78.73
1
17871
3
THR
CB
78.93
1
18344
106
THR
CB
79.116
1
36051
1
THR
CB
79.18
1
19759
4
THR
CB
79.32
1
17870
4
THR
CB
79.33
1
17875
3
THR
CB
79.34
1
19759
7
THR
CB
79.4
1
18135
106
THR
CB
79.536
1
5301
4
THR
CB
79.731
1
17869
3
THR
CB
79.75
1
17872
3
THR
CB
79.96
1
17869
4
THR
CB
80.03
1
19759
5
THR
CB
80.09
1
5866
45
THR
CB
80.22
1
19759
6
THR
CB
80.72
1
5301
3
THR
CB
81.526
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
6305
72
THR
CB
29.97
1
5022
71
THR
CB
30.156
.
11594
47
THR
CB
32.314
1
15097
147
THR
CB
33
1
5946
78
THR
CB
34.37
1
17141
57
THR
CB
35.45
1
17141
59
THR
CB
35.95
1
25701
75
THR
CB
39.18
1
27203
67
THR
CB
39.224
1
30207
15
THR
CB
40.39
.
16395
223
THR
CB
45.23
1
6542
6
THR
CB
50.54
1
4897
72
THR
CB
50.7
1
18373
150
THR
CB
54.771
1
5810
66
THR
CB
55.321
1
18373
55
THR
CB
57.896
1
18373
152
THR
CB
58.232
1
18373
205
THR
CB
58.338
1
19063
30
THR
CB
58.515
.
4144
4
THR
CB
58.6
1
4144
63
THR
CB
58.7
1
18373
88
THR
CB
59.07
1
18373
185
THR
CB
59.172
1
19063
94
THR
CB
59.344
.
27611
15
THR
CB
59.348
1
27392
301
THR
CB
59.443
1
18373
66
THR
CB
59.635
1
18373
41
THR
CB
59.655
1
27392
287
THR
CB
59.973
1
18373
129
THR
CB
60.082
1
27392
279
THR
CB
60.101
1
18373
200
THR
CB
60.166
1
15070
27
THR
CB
60.23
1
6583
83
THR
CB
60.3
1
6282
81
THR
CB
60.3
1
18373
43
THR
CB
60.324
1
18373
186
THR
CB
60.354
1
18373
212
THR
CB
60.438
1
18373
74
THR
CB
60.61
1
19560
49
THR
CB
60.657
1
18373
137
THR
CB
60.775
1
6877
50
THR
CB
60.795
1
15722
83
THR
CB
60.861
1
6586
44
THR
CB
60.924
1
19063
54
THR
CB
60.934
.
7003
49
THR
CB
60.975
1
6183
327
THR
CB
60.978
1
19063
90
THR
CB
61.003
.
18373
64
THR
CB
61.053
1
15424
75
THR
CB
61.122
1
18373
79
THR
CB
61.216
1
18373
120
THR
CB
61.254
1
18373
24
THR
CB
61.261
1
6586
97
THR
CB
61.349
1
18373
158
THR
CB
61.378
1
19114
90
THR
CB
61.399
.
36119
90
THR
CB
61.4
.
6494
125
THR
CB
61.6
1
5547
50
THR
CB
61.6
1
16373
107
THR
CB
61.61
1
5077
22
THR
CB
61.74
1
25021
97
THR
CB
61.772
1
7420
49
THR
CB
61.791
1
30231
93
THR
CB
62
1
18373
252
THR
CB
62.009
1
27392
291
THR
CB
62.051
1
19107
148
THR
CB
62.07
.
10109
82
THR
CB
62.175
1
27392
383
THR
CB
62.265
1
19342
1
THR
CB
62.268
1
6334
71
THR
CB
62.339
1
4102
218
THR
CB
62.4
1
19087
62
THR
CB
62.4782
1
18793
78
THR
CB
62.486
1
25240
14
THR
CB
62.515
1
5599
123
THR
CB
62.639
1
6586
101
THR
CB
62.694
1
6356
67
THR
CB
62.736
.
6111
97
THR
CB
62.74
1
5251
69
THR
CB
62.8
1
16837
156
THR
CB
62.8
1
26763
73
THR
CB
62.883
1
25136
42
THR
CB
62.889
1
30537
93
THR
CB
62.9
1
18534
47
THR
CB
62.9
1
15785
110
THR
CB
62.929
.
15952
110
THR
CB
62.929
.
17471
178
THR
CB
62.942
1
4892
50
THR
CB
62.95
.
19063
29
THR
CB
63.008
.
5894
77
THR
CB
63.05
1
6609
45
THR
CB
63.063
1
25910
52
THR
CB
63.076
1
7120
8
THR
CB
63.078
1
27089
60
THR
CB
63.089
1
5547
25
THR
CB
63.1
1
5547
52
THR
CB
63.1
1
18812
79
THR
CB
63.1
1
17940
175
THR
CB
63.104
1
18296
87
THR
CB
63.135
1
27244
237
THR
CB
63.252
1
18373
159
THR
CB
63.273
1
17614
207
THR
CB
63.282
1
4070
71
THR
CB
63.3
1
18373
103
THR
CB
63.306
1
15247
42
THR
CB
63.334
1
6586
8
THR
CB
63.403
1
7003
80
THR
CB
63.415
1
15952
62
THR
CB
63.417
.
15785
62
THR
CB
63.417
.
19520
118
THR
CB
63.434
1
19522
118
THR
CB
63.434
1
19521
118
THR
CB
63.434
1
11181
73
THR
CB
63.439
1
19915
31
THR
CB
63.467
.
19637
60
THR
CB
63.487
1
5517
27
THR
CB
63.5
1
15164
463
THR
CB
63.508
1
16058
59
THR
CB
63.51
1
11149
36
THR
CB
63.521
1
11443
36
THR
CB
63.521
1
19560
80
THR
CB
63.559
1
4107
22
THR
CB
63.6
1
15800
70
THR
CB
63.6
1
4740
29
THR
CB
63.6
1
6334
68
THR
CB
63.609
1
5663
83
THR
CB
63.63
.
27078
119
THR
CB
63.65
1
5316
179
THR
CB
63.665
1
18488
11
THR
CB
63.672
1
34313
15
THR
CB
63.674
1
26848
111
THR
CB
63.689
1
4300
35
THR
CB
63.69
1
4299
35
THR
CB
63.69
1
25830
44
THR
CB
63.702
1
5468
51
THR
CB
63.73
1
26851
111
THR
CB
63.745
1
27078
289
THR
CB
63.75
1
15199
89
THR
CB
63.754
1
10260
61
THR
CB
63.794
1
6011
110
THR
CB
63.8
1
19223
183
THR
CB
63.807
1
5862
7
THR
CB
63.81
1
6700
133
THR
CB
63.83
.
27078
291
THR
CB
63.85
1
27540
116
THR
CB
63.864
1
5622
12
THR
CB
63.87
1
4356
130
THR
CB
63.88
1
11167
8
THR
CB
63.885
1
4318
38
THR
CB
63.9
1
26751
223
THR
CB
63.9169
1
19343
110
THR
CB
63.947
1
18488
37
THR
CB
63.958
1
5099
10
THR
CB
63.98
9
19521
121
THR
CB
63.994
1
19520
121
THR
CB
63.994
1
19522
121
THR
CB
63.994
1
6594
33
THR
CB
64
1
19138
16
THR
CB
64
1
5514
49
THR
CB
64.01
1
6356
59
THR
CB
64.015
.
19224
183
THR
CB
64.049
1
4305
73
THR
CB
64.05
1
4912
70
THR
CB
64.05
1
6468
228
THR
CB
64.052
1
30375
246
THR
CB
64.059
.
4936
103
THR
CB
64.1
1
17821
33
THR
CB
64.1
1
15172
3
THR
CB
64.1
1
17471
244
THR
CB
64.122
1
16971
26
THR
CB
64.16
1
11319
45
THR
CB
64.163
1
17781
54
THR
CB
64.188
1
7130
239
THR
CB
64.2
1
6334
123
THR
CB
64.203
1
30375
215
THR
CB
64.206
.
19223
182
THR
CB
64.219
1
25760
107
THR
CB
64.256
.
25792
65
THR
CB
64.269
.
17853
169
THR
CB
64.295
1
6021
43
THR
CB
64.3
1
5468
193
THR
CB
64.305
1
17471
206
THR
CB
64.328
1
27019
17
THR
CB
64.335
.
16204
121
THR
CB
64.345
1
4388
140
THR
CB
64.35
1
18488
112
THR
CB
64.368
1
25259
80
THR
CB
64.369
1
5514
62
THR
CB
64.37
1
17276
64
THR
CB
64.376
1
7325
114
THR
CB
64.38
.
16984
244
THR
CB
64.394
1
5300
187
THR
CB
64.4
1
5300
146
THR
CB
64.4
1
16204
124
THR
CB
64.404
1
5324
121
THR
CB
64.412
1
25693
10
THR
CB
64.412
1
25827
17
THR
CB
64.427
1
18364
123
THR
CB
64.437
1
5514
38
THR
CB
64.45
1
17782
52
THR
CB
64.458
1
6129
18
THR
CB
64.47
.
15172
3
THR
CB
64.5
1
4127
35
THR
CB
64.5
1
16940
161
THR
CB
64.53
1