THR HG2 Chemical Shift Outliers

___________________________________________________
THR HG2 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
28514
1.139
-12.1
22.21
0.341


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
3084
200
THR
HG2
15.4
1
3085
200
THR
HG2
16.3
1
1719
24
THR
HG2
2.17
1
668
24
THR
HG2
2.18
1
5828
19
THR
HG2
2.18
1
1171
19
THR
HG2
2.19
1
4435
102
THR
HG2
2.19
1
665
19
THR
HG2
2.21
1
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
.
219
25
THR
HG2
2.33
1
5026
19
THR
HG2
2.33
.
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
.
4837
54
THR
HG2
2.62
1
6444
18
THR
HG2
2.623
.
6444
100
THR
HG2
2.682
.
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
15438
55
THR
HG2
21.06
1
15438
31
THR
HG2
22.21
1
15446
27
THR
HG2
3.002
2
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
923
83
THR
HG2
3.37
1
346
83
THR
HG2
3.37
1
666
78
THR
HG2
3.4
1
1171
78
THR
HG2
3.43
1
665
78
THR
HG2
3.46
1
664
78
THR
HG2
3.49
1
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
329
78
THR
HG2
4.07
1
1394
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


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
.
216
28
THR
HG2
-.01
1
5828
28
THR
HG2
-.01
1
5347
37
THR
HG2
-.017
1
16350
24
THR
HG2
-.019
1
4435
28
THR
HG2
-.02
1
274
28
THR
HG2
-.02
1
5974
61
THR
HG2
-.021
1
17953
48
THR
HG2
-.03
.
11010
75
THR
HG2
-.033
1
17021
109
THR
HG2
-.034
1
4567
141
THR
HG2
-.04
1
17157
88
THR
HG2
-.04
1
18200
54
THR
HG2
-.046
1
17755
22
THR
HG2
-.055
1
16443
32
THR
HG2
-.058
1
17239
22
THR
HG2
-.063
1
17633
47
THR
HG2
-.064
1
15092
144
THR
HG2
-.083
1
4867
52
THR
HG2
-.09
1
17238
22
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
18714
57
THR
HG2
-.127
1
7165
67
THR
HG2
-.131
1
4291
24
THR
HG2
-.134
1
18165
11
THR
HG2
-.134
.
16909
11
THR
HG2
-.135
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
16872
57
THR
HG2
-.159
1
5981
38
THR
HG2
-.159
1
15805
88
THR
HG2
-.16
1
7195
38
THR
HG2
-.16
.
5879
21
THR
HG2
-.16
1
6295
26
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
17694
105
THR
HG2
-.19
.
16841
71
THR
HG2
-.19
1
18662
8
THR
HG2
-.19
1
10047
54
THR
HG2
-.195
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
5026
28
THR
HG2
-.23
.
4436
28
THR
HG2
-.23
1
11106
53
THR
HG2
-.243
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
15097
90
THR
HG2
-.3
1
10165
68
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
17633
150
THR
HG2
-.346
1
18547
52
THR
HG2
-.36
1
17232
128
THR
HG2
-.369
1
7285
54
THR
HG2
-.37
1
5224
69
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
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
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
5623
55
THR
HG2
.003
1
5931
37
THR
HG2
.008
1
15407
11
THR
HG2
.01
1
665
28
THR
HG2
.01
1
6003
68
THR
HG2
.014
1
1171
28
THR
HG2
.02
1
6371
69
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
4553
85
THR
HG2
.03
1
15089
25
THR
HG2
.03
1
6620
43
THR
HG2
.03
1
4929
56
THR
HG2
.03
1
18393
36
THR
HG2
.039
1
10283
58
THR
HG2
.04
1
4510
30
THR
HG2
.04
1
15127
107
THR
HG2
.04
1
17577
90
THR
HG2
.04
1
7231
45
THR
HG2
.044
1
7070
130
THR
HG2
.045
1
4700
75
THR
HG2
.048
1
6202
140
THR
HG2
.05
1
666
28
THR
HG2
.05
1
15120
106
THR
HG2
.0539
.
18130
28
THR
HG2
.056
1
17927
134
THR
HG2
.058
1
16406
38
THR
HG2
.062
1
19169
24
THR
HG2
.062
1
5012
38
THR
HG2
.07
1
4830
131
THR
HG2
.07
1
11230
87
THR
HG2
.071
1
16807
96
THR
HG2
.072
1
16491
38
THR
HG2
.072
1
5983
63
THR
HG2
.08
1
4342
108
THR
HG2
.08
1
5976
51
THR
HG2
.088
1
5363
34
THR
HG2
.09
1
6053
124
THR
HG2
.09
1
5741
35
THR
HG2
.09
1
1474
20
THR
HG2
.09
1
16578
96
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
6134
16
THR
HG2
0
1
6298
120
THR
HG2
0
.
6298
27
THR
HG2
0
.
6298
98
THR
HG2
0
.
6298
93
THR
HG2
0
.
6298
100
THR
HG2
0
.