THR CB Chemical Shift Outliers

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THR CB Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
48823
69.594
-939.28
629.206
5.823


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
4781
12
THR
CB
629.206
1
4909
68
THR
CB
87.45
1
15877
9
THR
CB
99.436
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
17640
161
THR
CB
-939.28
1
18516
21
THR
CB
0
1
19104
31
THR
CB
10.791
.
5572
35
THR
CB
12.65
1
4617
22
THR
CB
14.23
.
4617
54
THR
CB
14.23
.
15278
127
THR
CB
15.33
1
6702
63
THR
CB
15.57
.
16729
227
THR
CB
17.808
1
16729
128
THR
CB
18.273
1
4349
112
THR
CB
20.6
1
16873
53
THR
CB
20.6
1
26741
94
THR
CB
21.026
.
17678
158
THR
CB
21.384
1
16771
33
THR
CB
21.62
1
16729
77
THR
CB
27.306
1
16729
161
THR
CB
27.355
1
34042
66
THR
CB
27.769
.
34042
51
THR
CB
27.875
.
34042
136
THR
CB
27.875
.
34042
131
THR
CB
28.262
.
34042
96
THR
CB
28.475
.
34042
152
THR
CB
28.669
.
34042
16
THR
CB
29.003
.
34042
92
THR
CB
29.144
.
34042
19
THR
CB
29.218
.
5041
6
THR
CB
29.268
1
36117
123
THR
CB
29.624
.
34042
14
THR
CB
29.629
.
5745
37
THR
CB
29.8
1
34042
117
THR
CB
29.839
.
6305
72
THR
CB
29.97
1
30495
4
THR
CB
3.97
1
16208
65
THR
CB
3.98
1
5022
71
THR
CB
30.156
.
7188
45
THR
CB
30.392
1
34042
113
THR
CB
30.45
.
34042
69
THR
CB
30.637
.
4131
8
THR
CB
30.68
.
4130
8
THR
CB
30.68
.
34042
70
THR
CB
30.893
.
34042
148
THR
CB
30.943
.
34042
150
THR
CB
30.969
.
34042
43
THR
CB
31.066
.
16729
259
THR
CB
31.282
1
19458
76
THR
CB
31.3164
.
19239
15
THR
CB
31.57
1
16729
307
THR
CB
31.808
1
15873
8
THR
CB
31.886
1
15874
8
THR
CB
31.886
1
19411
22
THR
CB
31.9
1
4130
21
THR
CB
31.95
.
4131
21
THR
CB
31.95
.
11594
47
THR
CB
32.314
1
16729
212
THR
CB
32.349
1
25510
46
THR
CB
32.375
1
4617
46
THR
CB
32.68
.
15097
147
THR
CB
33
1
19458
95
THR
CB
33.355
.
15873
45
THR
CB
33.933
1
15874
45
THR
CB
33.933
1
19458
61
THR
CB
34.0412
.
15873
34
THR
CB
34.267
1
15874
34
THR
CB
34.267
1
5946
78
THR
CB
34.37
1
19458
74
THR
CB
34.719
.
17141
57
THR
CB
35.45
1
27726
140
THR
CB
35.63
1
17141
59
THR
CB
35.95
1
16729
186
THR
CB
36.508
1
26552
136
THR
CB
36.7373
.
34022
111
THR
CB
36.7373
.
16729
192
THR
CB
36.802
1
26552
174
THR
CB
37.2353
.
34022
149
THR
CB
37.2353
.
16729
84
THR
CB
37.342
1
34022
36
THR
CB
37.5873
.
26552
61
THR
CB
37.5873
.
17103
38
THR
CB
38.084
1
16729
113
THR
CB
38.407
1
16729
336
THR
CB
38.623
1
4385
27
THR
CB
39
1
25701
75
THR
CB
39.18
1
27203
67
THR
CB
39.224
1
15835
171
THR
CB
39.359
1
16729
127
THR
CB
39.572
1
34022
83
THR
CB
39.6083
.
26552
108
THR
CB
39.6083
.
4385
54
THR
CB
40
1
16729
304
THR
CB
40.074
1
30207
15
THR
CB
40.39
.
26552
162
THR
CB
40.3903
.
34022
137
THR
CB
40.3903
.
15835
170
THR
CB
40.508
1
19716
15
THR
CB
40.8783
1
34022
16
THR
CB
41.1053
.
26552
41
THR
CB
41.1053
.
19458
119
THR
CB
41.193
.
6793
148
THR
CB
41.3
1
19716
22
THR
CB
41.9199
1
19716
14
THR
CB
42.0043
1
18951
37
THR
CB
42.055
1
4074
85
THR
CB
42.85
1
16367
211
THR
CB
42.89
1
6035
104
THR
CB
43.1
1
16937
242
THR
CB
43.272
1
16937
238
THR
CB
43.419
1
16937
49
THR
CB
43.486
1
16937
218
THR
CB
43.667
1
16937
82
THR
CB
43.696
1
16937
250
THR
CB
43.736
1
16937
103
THR
CB
43.781
1
16937
131
THR
CB
43.789
1
16937
98
THR
CB
43.813
1
17103
71
THR
CB
43.831
1
16937
10
THR
CB
43.858
1
16937
112
THR
CB
43.894
1
16367
216
THR
CB
43.91
1
16937
97
THR
CB
43.941
1
16937
6
THR
CB
44.027
1
18951
11
THR
CB
44.249
1
7121
24
THR
CB
44.5
1
16937
220
THR
CB
44.672
1
16367
1
THR
CB
44.79
1
16367
143
THR
CB
44.82
1
16367
151
THR
CB
44.88
1
16937
9
THR
CB
45.069
1
16367
159
THR
CB
45.16
1
16395
223
THR
CB
45.23
1
16367
69
THR
CB
45.27
1
5500
60
THR
CB
45.382
9
16367
2
THR
CB
45.6
1
16367
266
THR
CB
45.79
1
16367
241
THR
CB
46.58
1
16367
113
THR
CB
46.79
1
16367
10
THR
CB
47.3
1
16937
47
THR
CB
47.478
1
18609
111
THR
CB
47.863
1
25410
134
THR
CB
47.998
1
4781
50
THR
CB
49.285
1
18969
82
THR
CB
50.054
1
18609
174
THR
CB
50.413
1
6542
6
THR
CB
50.54
1
4897
72
THR
CB
50.7
1
4232
4
THR
CB
51.11
1
18609
181
THR
CB
52.042
1
18609
9
THR
CB
52.087
1
5008
77
THR
CB
7
1
19844
35
THR
CB
7.498
.