THR HB Chemical Shift Outliers

___________________________________________________
THR HB Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
28695
4.163
.92
5.8
0.321


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
7014
39
THR
HB
5.131
1
5103
2
THR
HB
5.14
1
34291
46
THR
HB
5.146
.
16016
25
THR
HB
5.151
1
26991
44
THR
HB
5.165
1
11270
71
THR
HB
5.168
1
5558
81
THR
HB
5.193
1
10059
26
THR
HB
5.196
1
27048
43
THR
HB
5.205
1
19843
73
THR
HB
5.21
.
17299
12
THR
HB
5.246
1
16118
40
THR
HB
5.25
1
4838
6
THR
HB
5.25
1
25036
76
THR
HB
5.252
1
5042
41
THR
HB
5.26
1
7286
109
THR
HB
5.274
1
7420
49
THR
HB
5.279
1
5025
6
THR
HB
5.28
1
19044
57
THR
HB
5.29
1
4195
6
THR
HB
5.29
1
15369
64
THR
HB
5.302
1
5778
72
THR
HB
5.419
1
6093
8
THR
HB
5.464
1
11264
35
THR
HB
5.491
1
217
19
THR
HB
5.52
1
4336
28
THR
HB
5.53
1
216
19
THR
HB
5.55
1
668
24
THR
HB
5.55
1
6484
22
THR
HB
5.57
1
668
83
THR
HB
5.8
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
1520
7
THR
HB
.92
1
30022
13
THR
HB
1.011
.
30013
13
THR
HB
1.011
.
15438
31
THR
HB
1.06
1
15438
55
THR
HB
1.12
1
17358
67
THR
HB
1.17
1
16614
9
THR
HB
1.2
1
4294
18
THR
HB
1.21
1
6536
69
THR
HB
1.326
1
26809
37
THR
HB
1.406
1
30
6
THR
HB
1.55
1
6840
66
THR
HB
1.82
1
19057
17
THR
HB
1.88
.
4010
41
THR
HB
1.88
1
17736
36
THR
HB
1.88
1
18989
55
THR
HB
1.89
1
17212
73
THR
HB
1.905
1
15120
18
THR
HB
1.94
.
6134
51
THR
HB
1.98
1
10024
40
THR
HB
1.98
1
17428
170
THR
HB
1.981
1
30022
25
THR
HB
2.005
.
30013
25
THR
HB
2.005
.
36078
71
THR
HB
2.016
1
36161
66
THR
HB
2.02
1
25385
67
THR
HB
2.0202
1
19953
35
THR
HB
2.047
1
15097
147
THR
HB
2.05
1
16682
69
THR
HB
2.05
1
4782
46
THR
HB
2.06
1
4370
46
THR
HB
2.08
1
4497
66
THR
HB
2.12
.
4599
66
THR
HB
2.12
.
15930
77
THR
HB
2.175
1
27472
20
THR
HB
2.185
1
18621
69
THR
HB
2.19
1
443
45
THR
HB
2.24
1
36077
71
THR
HB
2.241
1
4980
46
THR
HB
2.25
1
5924
11
THR
HB
2.264
1
15750
25
THR
HB
2.27
1
19657
24
THR
HB
2.281
1
25974
24
THR
HB
2.287
1
7107
85
THR
HB
2.289
1
15431
45
THR
HB
2.29
1
18133
76
THR
HB
2.292
1
11256
41
THR
HB
2.321
1
7286
128
THR
HB
2.34
1
26717
30
THR
HB
2.34
1
385
45
THR
HB
2.35
1
26734
24
THR
HB
2.352
1
25957
24
THR
HB
2.352
1
11591
9
THR
HB
2.374
1
19032
28
THR
HB
2.381
1
27353
97
THR
HB
2.41
1
16899
36
THR
HB
2.411
1
17805
36
THR
HB
2.435
1
16908
36
THR
HB
2.435
1
17476
64
THR
HB
2.438
1
4371
36
THR
HB
2.439
.
5578
84
THR
HB
2.44
.
5319
85
THR
HB
2.44
1
15286
54
THR
HB
2.464
1
4637
45
THR
HB
2.47
1
5048
85
THR
HB
2.49
1
18987
139
THR
HB
2.495
1
6469
19
THR
HB
2.497
1
6738
29
THR
HB
2.5
1
25790
15
THR
HB
2.503
.
25791
15
THR
HB
2.503
.
30220
17
THR
HB
2.52
1
30220
17
THR
HB
2.52
1
6080
43
THR
HB
2.522
1
4942
40
THR
HB
2.54
1
5527
28
THR
HB
2.56
.
19026
28
THR
HB
2.561
1
18480
8
THR
HB
2.573
1
10321
45
THR
HB
2.604
1
30190
28
THR
HB
2.625
.
7266
30
THR
HB
2.63
1
15120
106
THR
HB
2.64
.
19354
41
THR
HB
2.647
1
25564
53
THR
HB
2.653
1
17477
108
THR
HB
2.659
1
19654
90
THR
HB
2.66
.
15440
106
THR
HB
2.667
1
18812
54
THR
HB
2.67
1
6310
119
THR
HB
2.68
.
10306
33
THR
HB
2.695
1
18458
100
THR
HB
2.7
1
27353
82
THR
HB
2.71
1
15542
98
THR
HB
2.711
1
10047
54
THR
HB
2.72
1
25845
13
THR
HB
2.725
.
25844
12
THR
HB
2.725
.
15922
119
THR
HB
2.727
1
4825
36
THR
HB
2.73
1
11308
31
THR
HB
2.741
1
16555
45
THR
HB
2.752
1
16846
110
THR
HB
2.754
1
10076
76
THR
HB
2.759
1
18843
59
THR
HB
2.764
1
16110
26
THR
HB
2.769
1
19449
73
THR
HB
2.769
.
15127
107
THR
HB
2.77
1
15127
107
THR
HB
2.79
1
10330
33
THR
HB
2.796
1
5943
12
THR
HB
2.801
1
25453
95
THR
HB
2.803
1
19432
131
THR
HB
2.8085
1
4173
111
THR
HB
2.81
1
15607
265
THR
HB
2.812
1
17816
23
THR
HB
2.831
1
10160
43
THR
HB
2.841
1
5222
129
THR
HB
2.85
1
5785
111
THR
HB
2.85
1
7285
54
THR
HB
2.85
1
25104
119
THR
HB
2.869
.
27265
119
THR
HB
2.869
1
5701
70
THR
HB
2.876
1
6709
46
THR
HB
2.897
1
10285
68
THR
HB
2.897
1
19842
192
THR
HB
2.899
1
16632
37
THR
HB
2.909
1
5360
13
THR
HB
2.91
.
7310
119
THR
HB
2.91
1
16632
37
THR
HB
2.91
1
10112
50
THR
HB
2.915
1
15825
40
THR
HB
2.928
1
16100
4
THR
HB
2.929
1
27781
94
THR
HB
2.929
1
18647
55
THR
HB
2.9469
1
17477
154
THR
HB
2.948
1
17111
188
THR
HB
2.951
1
11251
98
THR
HB
2.964
1
11106
53
THR
HB
2.967
1
30034
60
THR
HB
2.97
1
3440
16
THR
HB
2.98
1
4893
36
THR
HB
2.98
1
10283
58
THR
HB
2.984
1
5976
49
THR
HB
2.986
1
15595
103
THR
HB
2.986
1
16176
24
THR
HB
2.9865
1
6345
89
THR
HB
2.987
.
19108
164
THR
HB
2.999
.
15669
39
THR
HB
3
1
27268
6
THR
HB
3
.
17505
27
THR
HB
3.001
1
16160
55
THR
HB
3.005
1
11098
49
THR
HB
3.006
1
6003
68
THR
HB
3.007
1
4648
147
THR
HB
3.01
.
18463
39
THR
HB
3.017
1
7120
26
THR
HB
3.021
1
17021
109
THR
HB
3.025
1
16578
96
THR
HB
3.027
1
7312
21
THR
HB
3.027
1
27595
55
THR
HB
3.028
1
4410
22
THR
HB
3.03
1
6759
39
THR
HB
3.033
.
36080
17
THR
HB
3.034
.
7272
8
THR
HB
3.045
1
15491
58
THR
HB
3.053
1
16712
75
THR
HB
3.054
1
15088
84
THR
HB
3.058
1
5785
23
THR
HB
3.06
1
27867
52
THR
HB
3.06
1
18882
78
THR
HB
3.065
.
7025
49
THR
HB
3.067
1
216
28
THR
HB
3.07
1
6654
25
THR
HB
3.07
1
11131
18
THR
HB
3.072
1
11121
35
THR
HB
3.078
1
7220
45
THR
HB
3.08
1
6849
35
THR
HB
3.08
1
25453
38
THR
HB
3.081
1
15229
121
THR
HB
3.087
.
6727
65
THR
HB
3.089
1
18249
60
THR
HB
3.092
1
17938
31
THR
HB
3.1
1
16713
75
THR
HB
3.108
1
4567
46
THR
HB
3.11
1
19392
55
THR
HB
3.115
.
4977
43
THR
HB
3.12
1
19984
100
THR
HB
3.12
1
15847
80
THR
HB
3.122
1
15694
75
THR
HB
3.123
1
16061
58
THR
HB
3.125
1
18039
75
THR
HB
3.127
1
16030
24
THR
HB
3.13
1
4011
37
THR
HB
3.13
1
6536
79
THR
HB
3.132
1
7025
17
THR
HB
3.133
1
5492
82
THR
HB
3.14
1
18441
78
THR
HB
3.142
1
25127
129
THR
HB
3.149
1
6644
109
THR
HB
3.15
1
4173
23
THR
HB
3.15
1
15678
32
THR
HB
3.15
1
15924
119
THR
HB
3.157
1
17261
86
THR
HB
3.16
1
27019
17
THR
HB
3.16
.
4342
108
THR
HB
3.16
1
19539
58
THR
HB
3.161
1
18677
51
THR
HB
3.163
1
11302
41
THR
HB
3.163
1
6539
79
THR
HB
3.163
1
16999
60
THR
HB
3.166
1
4259
82
THR
HB
3.17
1
18130
28
THR
HB
3.172
1
7273
27
THR
HB
3.175
.
16058
149
THR
HB
3.177
1
17023
28
THR
HB
3.178
1
6644
83
THR
HB
3.18
1
18197
49
THR
HB
3.182
1
11157
39
THR
HB
3.183
1
6759
131
THR
HB
3.184
.
15723
40
THR
HB
3.184
1
19206
86
THR
HB
3.19
1
17112
29
THR
HB
3.1907
1
17717
67
THR
HB
3.192
1
16058
133
THR
HB
3.193
1
17633
150
THR
HB
3.194
1
10171
17
THR
HB
3.194
1
15893
140
THR
HB
3.197
1
6727
33
THR
HB
3.197
1