VAL CG2 Chemical Shift Outliers

___________________________________________________
VAL CG2 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
20441
21.290
13.257
30.463
1.544


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
17629
54
VAL
CG2
25.994
2
5935
140
VAL
CG2
26.014
2
17653
18
VAL
CG2
26.07
2
18095
53
VAL
CG2
26.171
1
5004
85
VAL
CG2
26.2
2
17499
246
VAL
CG2
26.211
1
15940
2
VAL
CG2
26.24
2
16467
68
VAL
CG2
26.246
2
15663
134
VAL
CG2
26.26
1
17570
314
VAL
CG2
26.298
1
4740
32
VAL
CG2
26.3
1
4049
74
VAL
CG2
26.3
2
11262
39
VAL
CG2
26.331
2
16992
192
VAL
CG2
26.427
1
4285
55
VAL
CG2
26.5
1
6631
8
VAL
CG2
26.524
1
10092
92
VAL
CG2
26.538
2
15826
121
VAL
CG2
26.55
2
7147
64
VAL
CG2
26.7
1
15940
22
VAL
CG2
26.74
2
5982
81
VAL
CG2
26.85
.
4740
30
VAL
CG2
26.9
1
4961
59
VAL
CG2
26.926
2
17085
111
VAL
CG2
26.986
1
17424
11
VAL
CG2
27.271
1
6003
159
VAL
CG2
27.395
1
18663
121
VAL
CG2
27.769
2
16305
124
VAL
CG2
28.049
2
6826
17
VAL
CG2
28.221
1
6826
10
VAL
CG2
28.485
1
6826
38
VAL
CG2
28.497
1
4284
121
VAL
CG2
28.743
1
5303
6
VAL
CG2
30.463
2


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
18621
36
VAL
CG2
13.257
2
5303
39
VAL
CG2
13.582
2
6645
37
VAL
CG2
14.33
2
16872
15
VAL
CG2
14.626
1
6903
12
VAL
CG2
14.6458
1
6904
12
VAL
CG2
14.74
1
18471
11
VAL
CG2
14.811
2
18734
74
VAL
CG2
14.841
1
4758
4
VAL
CG2
14.85
1
16712
73
VAL
CG2
14.963
1
18389
57
VAL
CG2
15.029
2
18118
94
VAL
CG2
15.071
2
16713
73
VAL
CG2
15.115
1
6904
69
VAL
CG2
15.12
1
11233
62
VAL
CG2
15.156
2
5711
75
VAL
CG2
15.2
2
15578
280
VAL
CG2
15.252
1
16205
27
VAL
CG2
15.293
1
6612
28
VAL
CG2
15.3
.
6903
69
VAL
CG2
15.3085
1
15578
328
VAL
CG2
15.315
1
17596
90
VAL
CG2
15.336
2
17596
90
VAL
CG2
15.336
2
4424
30
VAL
CG2
15.38
1
5312
33
VAL
CG2
15.4
1
7360
148
VAL
CG2
15.447
1
5312
19
VAL
CG2
15.5
1
6725
94
VAL
CG2
15.53
2
7241
41
VAL
CG2
15.55
1
15826
64
VAL
CG2
15.553
2
18217
7
VAL
CG2
15.634
2
6745
13
VAL
CG2
15.634
1
11242
59
VAL
CG2
15.64
2
15240
32
VAL
CG2
15.771
1
6903
8
VAL
CG2
15.778
1
6111
33
VAL
CG2
15.79
1
15618
7
VAL
CG2
15.831
2
6725
36
VAL
CG2
15.85
1
6679
54
VAL
CG2
15.853
1
15469
21
VAL
CG2
15.894
2
5711
35
VAL
CG2
15.9
2
1642
56
VAL
CG2
15.9
2
16887
93
VAL
CG2
15.921
2
7055
150
VAL
CG2
15.94
1
15722
96
VAL
CG2
15.95
2
16002
79
VAL
CG2
15.96
2
17811
150
VAL
CG2
15.961
1
15578
40
VAL
CG2
15.979
1
6912
57
VAL
CG2
16
1
5711
66
VAL
CG2
16
2
15871
10
VAL
CG2
16.001
2
16872
16
VAL
CG2
16.003
1
11137
48
VAL
CG2
16.012
2
6612
88
VAL
CG2
16.04
.
16114
26
VAL
CG2
16.093
2
7019
69
VAL
CG2
16.095
1
6073
21
VAL
CG2
16.13
.
18389
104
VAL
CG2
16.131
2
6904
8
VAL
CG2
16.15
1
11226
62
VAL
CG2
16.16
2
11141
37
VAL
CG2
16.164
2
6761
26
VAL
CG2
16.169
1
7271
92
VAL
CG2
16.182
1
11129
86
VAL
CG2
16.182
2
5185
42
VAL
CG2
16.21
1
7360
58
VAL
CG2
16.244
1
11018
43
VAL
CG2
16.29
1
11137
17
VAL
CG2
16.299
2
16884
58
VAL
CG2
16.3
1
16205
235
VAL
CG2
16.301
1
16157
29
VAL
CG2
16.33
1
16205
193
VAL
CG2
16.347
1
6745
137
VAL
CG2
16.376
1
5324
60
VAL
CG2
16.38
1
16708
64
VAL
CG2
16.4
1
5312
47
VAL
CG2
16.4
1
6745
145
VAL
CG2
16.416
1
11138
48
VAL
CG2
16.421
2
10273
63
VAL
CG2
16.472
2
5393
102
VAL
CG2
16.476
2
15578
214
VAL
CG2
16.478
1
16277
46
VAL
CG2
16.486
1
16266
71
VAL
CG2
16.489
2
15578
139
VAL
CG2
16.492
1
17974
95
VAL
CG2
16.496
2
6912
84
VAL
CG2
16.5
1
5887
113
VAL
CG2
16.5
2
15046
21
VAL
CG2
16.5
1
16712
24
VAL
CG2
16.509
1
18292
109
VAL
CG2
16.524
2
15722
68
VAL
CG2
16.538
2
16713
24
VAL
CG2
16.539
1
18540
101
VAL
CG2
16.55
1
11201
38
VAL
CG2
16.559
2
6148
175
VAL
CG2
16.572
1
11136
48
VAL
CG2
16.579
2
15010
22
VAL
CG2
16.579
1
11131
68
VAL
CG2
16.607
2
18389
34
VAL
CG2
16.616
2
11131
66
VAL
CG2
16.626
2
16002
55
VAL
CG2
16.64
.
16468
35
VAL
CG2
16.65
1
6111
48
VAL
CG2
16.65
1