VAL HG2 Chemical Shift Outliers

___________________________________________________
VAL HG2 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
34525
0.799
-27.2
56.56
0.479


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
15086
38
VAL
HG2
2.288
2
16443
31
VAL
HG2
2.35
1
5939
95
VAL
HG2
2.429
2
5765
12
VAL
HG2
2.51
2
6685
60
VAL
HG2
2.511
2
16305
124
VAL
HG2
2.573
2
6634
68
VAL
HG2
2.69
2
5625
68
VAL
HG2
2.77
2
824
68
VAL
HG2
2.78
2
3442
62
VAL
HG2
2.88
2
5805
37
VAL
HG2
24.2
1
16307
120
VAL
HG2
3.31
1
4265
170
VAL
HG2
3.32
2
5269
121
VAL
HG2
3.64
2
16306
120
VAL
HG2
3.78
1
3085
207
VAL
HG2
4.15
2
3084
207
VAL
HG2
4.4
2
17284
36
VAL
HG2
56.56
2
1394
58
VAL
HG2
6.06
2
1393
58
VAL
HG2
6.06
2


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
7083
36
VAL
HG2
-.644
1
6279
103
VAL
HG2
-.648
2
6120
21
VAL
HG2
-.65
1
17160
4
VAL
HG2
-.66
1
11082
53
VAL
HG2
-.663
1
1144
67
VAL
HG2
-.67
1
16945
106
VAL
HG2
-.67
1
5224
25
VAL
HG2
-.67
2
18422
120
VAL
HG2
-.67
2
17226
94
VAL
HG2
-.675
2
18152
47
VAL
HG2
-.676
2
6966
51
VAL
HG2
-.68
2
18045
9
VAL
HG2
-.68
1
18850
29
VAL
HG2
-.68
2
10075
78
VAL
HG2
-.684
1
17841
54
VAL
HG2
-.688
2
15537
54
VAL
HG2
-.689
2
16674
18
VAL
HG2
-.697
1
7274
19
VAL
HG2
-.698
1
1413
68
VAL
HG2
-.7
1
16347
77
VAL
HG2
-.7
2
6885
67
VAL
HG2
-.7
2
7024
59
VAL
HG2
-.708
.
5073
59
VAL
HG2
-.708
.
5880
65
VAL
HG2
-.715
1
15057
71
VAL
HG2
-.728
1
18422
24
VAL
HG2
-.73
2
6685
177
VAL
HG2
-.735
2
7256
72
VAL
HG2
-.74
2
16481
103
VAL
HG2
-.74
2
10253
14
VAL
HG2
-.756
1
17358
25
VAL
HG2
-.77
2
17711
100
VAL
HG2
-.7728
1
18053
36
VAL
HG2
-.776
2
18125
40
VAL
HG2
-.78
2
11036
142
VAL
HG2
-.795
2
16443
68
VAL
HG2
-.809
2
4743
13
VAL
HG2
-.81
2
16674
4
VAL
HG2
-.817
1
18792
99
VAL
HG2
-.818
1
16803
58
VAL
HG2
-.82
4
5269
87
VAL
HG2
-.83
1
16842
13
VAL
HG2
-.834
1
17827
42
VAL
HG2
-.87
1
16674
67
VAL
HG2
-.876
1
17957
88
VAL
HG2
-.88
2
6761
26
VAL
HG2
-.88
2
16163
39
VAL
HG2
-.886
1
292
68
VAL
HG2
-.89
1
18787
13
VAL
HG2
-.891
1
18125
69
VAL
HG2
-.9
2
17072
24
VAL
HG2
-.91
2
6393
57
VAL
HG2
-.92
1
6679
54
VAL
HG2
-.929
1
15469
21
VAL
HG2
-.934
2
4471
38
VAL
HG2
-.94
1
15618
7
VAL
HG2
-.947
2
4777
38
VAL
HG2
-.95
1
6392
57
VAL
HG2
-.97
1
6090
30
VAL
HG2
-1.013
1
4130
61
VAL
HG2
-1.07
.
16443
11
VAL
HG2
-1.07
1
18423
120
VAL
HG2
-1.11
1
11388
60
VAL
HG2
-1.173
1
16443
18
VAL
HG2
-1.178
1
16442
101
VAL
HG2
-1.19
.
4131
61
VAL
HG2
-1.19
.
5061
65
VAL
HG2
-1.24
2
5091
61
VAL
HG2
-1.28
1
4809
59
VAL
HG2
-1.29
2
4808
59
VAL
HG2
-1.29
2
4804
59
VAL
HG2
-1.29
2
4803
59
VAL
HG2
-1.29
2
5748
68
VAL
HG2
-1.3
2
7054
46
VAL
HG2
-1.36
1
11116
21
VAL
HG2
-1.461
1
11100
31
VAL
HG2
-1.489
1
6960
81
VAL
HG2
-1.498
.
17393
81
VAL
HG2
-1.5111
2
17392
81
VAL
HG2
-1.527
.
4435
22
VAL
HG2
-1.75
1
363
68
VAL
HG2
-1.98
1
6634
18
VAL
HG2
-2.05
2
5625
18
VAL
HG2
-2.07
2
4435
72
VAL
HG2
-2.07
1
16849
8
VAL
HG2
-2.3
2
15375
8
VAL
HG2
-2.3
2
4062
69
VAL
HG2
-2.32
2
1205
68
VAL
HG2
-2.32
1
4038
62
VAL
HG2
-2.33
1
364
68
VAL
HG2
-2.61
1
2218
63
VAL
HG2
-27.2
1
5809
93
VAL
HG2
-3
1
5809
93
VAL
HG2
-3.04
1
1203
68
VAL
HG2
-3.64
1
1204
68
VAL
HG2
-3.67
1
6230
98
VAL
HG2
-3.72
1
6230
98
VAL
HG2
-3.8
1
3085
143
VAL
HG2
-4
1
3084
143
VAL
HG2
-7.2
1
16849
41
VAL
HG2
-7.639
2
15375
41
VAL
HG2
-7.639
2