THR C Chemical Shift Outliers

___________________________________________________
THR C Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
29325
174.579
165.5
184.431
1.717


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
27352
64
THR
C
179.745
1
26651
101
THR
C
179.751
1
30092
22
THR
C
179.7849
.
36075
21
THR
C
179.8
1
15757
7
THR
C
179.8
1
17260
92
THR
C
179.809
1
16205
10
THR
C
179.813
1
17017
11
THR
C
179.819
1
26733
103
THR
C
179.839
1
4664
90
THR
C
179.86
1
18856
62
THR
C
179.886
.
16263
43
THR
C
179.902
.
10048
17
THR
C
179.91
1
26617
17
THR
C
179.929
1
7003
205
THR
C
179.946
1
6679
51
THR
C
179.955
1
16439
41
THR
C
179.959
1
4388
146
THR
C
179.96
1
17781
255
THR
C
179.969
1
18868
75
THR
C
179.971
1
18854
75
THR
C
179.971
1
25157
162
THR
C
179.98
1
17781
34
THR
C
179.982
1
15352
25
THR
C
180
1
15422
109
THR
C
180
1
25266
51
THR
C
180
1
18493
88
THR
C
180.013
1
18395
88
THR
C
180.013
1
6642
5
THR
C
180.027
1
30102
114
THR
C
180.052
.
17738
187
THR
C
180.064
1
19953
35
THR
C
180.071
1
16109
65
THR
C
180.078
1
7122
81
THR
C
180.1
1
17781
210
THR
C
180.129
1
25157
39
THR
C
180.143
1
5892
68
THR
C
180.146
1
17827
100
THR
C
180.164
1
19553
15
THR
C
180.192
1
5946
148
THR
C
180.198
1
25266
9
THR
C
180.2
1
6074
26
THR
C
180.213
1
16033
28
THR
C
180.227
1
26044
5
THR
C
180.232
1
26044
180
THR
C
180.237
1
19553
48
THR
C
180.251
1
17603
26
THR
C
180.259
1
19208
277
THR
C
180.3
1
26664
102
THR
C
180.32
1
18504
124
THR
C
180.323
1
19425
61
THR
C
180.325
1
16781
83
THR
C
180.33
1
6342
5
THR
C
180.375
1
17781
59
THR
C
180.386
1
26044
172
THR
C
180.394
1
18296
69
THR
C
180.403
1
18868
43
THR
C
180.403
1
25923
11
THR
C
180.434
.
6679
16
THR
C
180.446
1
25157
124
THR
C
180.482
1
25157
160
THR
C
180.484
1
17574
31
THR
C
180.557
1
18142
61
THR
C
180.56
1
17805
70
THR
C
180.592
1
16899
70
THR
C
180.592
1
26044
178
THR
C
180.641
1
19339
65
THR
C
180.641
1
17428
138
THR
C
180.693
1
15746
79
THR
C
180.708
1
26044
6
THR
C
180.717
1
25157
163
THR
C
180.724
1
6722
14
THR
C
180.762
1
5823
179
THR
C
180.77
1
5822
61
THR
C
180.77
1
17781
6
THR
C
180.798
1
27395
32
THR
C
180.8
1
17447
109
THR
C
180.807
1
18296
19
THR
C
180.854
1
17647
110
THR
C
180.87
1
30091
64
THR
C
180.8732
.
16982
111
THR
C
180.943
1
17781
202
THR
C
180.954
1
26782
175
THR
C
180.979
1
6787
74
THR
C
180.98
1
17839
53
THR
C
180.987
1
17085
100
THR
C
181
1
16050
82
THR
C
181.01
1
16982
226
THR
C
181.023
1
17479
79
THR
C
181.065
1
6015
115
THR
C
181.072
1
19953
38
THR
C
181.098
1
6285
83
THR
C
181.1
1
18296
82
THR
C
181.155
1
17085
94
THR
C
181.231
1
6679
18
THR
C
181.241
1
16982
10
THR
C
181.252
1
6468
125
THR
C
181.26
1
25830
88
THR
C
181.273
1
16439
107
THR
C
181.273
1
25266
128
THR
C
181.3
1
19245
13
THR
C
181.3
1
5823
218
THR
C
181.33
1
5822
100
THR
C
181.33
1
7003
170
THR
C
181.341
1
30092
43
THR
C
181.377
.
16673
85
THR
C
181.387
1
4405
16
THR
C
181.39
1
16982
244
THR
C
181.413
1
19028
68
THR
C
181.419
1
4833
5
THR
C
181.43
1
15969
128
THR
C
181.53
1
18296
75
THR
C
181.578
1
25157
125
THR
C
181.578
1
4833
23
THR
C
181.58
1
19243
13
THR
C
181.6
1
19242
13
THR
C
181.6
1
5892
2
THR
C
181.651
1
19087
78
THR
C
181.6836
1
6679
53
THR
C
181.685
1
27191
141
THR
C
181.7537
1
18296
87
THR
C
181.882
1
15917
90
THR
C
181.916
1
16598
84
THR
C
181.92
1
17231
31
THR
C
181.94
1
25648
51
THR
C
181.951
1
6357
84
THR
C
181.956
1
7236
84
THR
C
181.973
1
6024
84
THR
C
182.015
1
7237
84
THR
C
182.037
1
7238
84
THR
C
182.071
1
27571
68
THR
C
182.117
.
7239
84
THR
C
182.139
1
18520
21
THR
C
182.23
1
18520
24
THR
C
182.34
1
18296
41
THR
C
182.343
1
6679
44
THR
C
182.41
1
19953
7
THR
C
182.475
1
25243
33
THR
C
182.772
.
26044
185
THR
C
182.779
1
26044
160
THR
C
182.799
1
16372
8
THR
C
182.965
1
6468
93
THR
C
184.431
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
4259
82
THR
C
165.5
1
5514
59
THR
C
166.16
1
16204
10
THR
C
166.632
1
19560
138
THR
C
166.7
1
15723
12
THR
C
166.981
1
4944
5
THR
C
167.17
1
5514
38
THR
C
167.22
1
34194
29
THR
C
167.271
1
15722
69
THR
C
167.278
1
16984
156
THR
C
167.506
1
25048
55
THR
C
167.9
1
6586
101
THR
C
167.924
1
6586
8
THR
C
167.956
1
26851
204
THR
C
168.005
1
26848
204
THR
C
168.019
1
26996
120
THR
C
168.09
.
27859
193
THR
C
168.1
.
19560
170
THR
C
168.26
1
5514
49
THR
C
168.27
1
5623
55
THR
C
168.302
1
19553
56
THR
C
168.4
1
26717
2
THR
C
168.4
1
25048
10
THR
C
168.58
1
4259
88
THR
C
168.6
1
18509
54
THR
C
168.656
1
18708
54
THR
C
168.656
1
11140
27
THR
C
168.693
1
17477
72
THR
C
168.7
1
6111
86
THR
C
168.71
1
15164
422
THR
C
168.729
1
26720
33
THR
C
168.739
1
5514
63
THR
C
168.74
1
15723
43
THR
C
168.767
1
26848
100
THR
C
168.781
1
27589
313
THR
C
168.787
1
11125
72
THR
C
168.788
1
5514
108
THR
C
168.79
1
5222
110
THR
C
168.8
1
26851
100
THR
C
168.808
1
15680
106
THR
C
168.818
1
27562
18
THR
C
168.853
.
7313
77
THR
C
168.9
1
18292
6
THR
C
168.908
1
19486
12
THR
C
168.91
1
27271
44
THR
C
168.944
1
30604
153
THR
C
168.948
.
27445
31
THR
C
168.991
1
27019
114
THR
C
168.991
.
6111
67
THR
C
169.01
1
16684
48
THR
C
169.0173
1
25693
28
THR
C
169.027
1
15701
66
THR
C
169.06
1
15426
153
THR
C
169.083
.
5267
142
THR
C
169.1
1
7313
207
THR
C
169.1
1
30537
104
THR
C
169.1
1
16712
75
THR
C
169.113
1
6586
44
THR
C
169.115
1
26851
125
THR
C
169.131
1
16713
75
THR
C
169.138
1
11018
16
THR
C
169.15
1
5813
55
THR
C
169.179
1
6111
86
THR
C
169.19
1
26848
125
THR
C
169.192
1
27834
23
THR
C
169.197
1
7308
59
THR
C
169.2
1
16518
60
THR
C
169.2
.
27859
200
THR
C
169.2
.
15128
3
THR
C
169.216
1
18108
57
THR
C
169.256
1
7307
59
THR
C
169.3
1
19228
9
THR
C
169.3
1
6111
21
THR
C
169.31
1
34088
154
THR
C
169.317
1
27691
246
THR
C
169.318
1
6783
76
THR
C
169.32
1
18204
69
THR
C
169.322
1
27246
46
THR
C
169.329
.
27637
91
THR
C
169.342
1
16874
99
THR
C
169.349
1
25760
80
THR
C
169.369
.
7220
72
THR
C
169.37
1
26717
226
THR
C
169.4
1
15514
218
THR
C
169.405
1
25693
26
THR
C
169.422
1
6882
57
THR
C
169.425
1