VAL CG2 Chemical Shift Outliers

___________________________________________________
VAL CG2 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
29745
21.294
11.375
33.118
1.525


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
19837
169
VAL
CG2
25.871
2
36181
51
VAL
CG2
25.879
1
10106
40
VAL
CG2
25.88
2
18329
130
VAL
CG2
25.9
2
195
6
VAL
CG2
25.9
1
5627
228
VAL
CG2
25.9
1
17629
54
VAL
CG2
25.994
2
5935
140
VAL
CG2
26.014
2
26739
103
VAL
CG2
26.036
.
34299
88
VAL
CG2
26.052
2
17653
18
VAL
CG2
26.07
2
25068
49
VAL
CG2
26.122
.
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
26760
148
VAL
CG2
26.293
1
17570
314
VAL
CG2
26.298
1
4740
32
VAL
CG2
26.3
1
4049
74
VAL
CG2
26.3
2
19156
68
VAL
CG2
26.322
2
11262
39
VAL
CG2
26.331
2
30024
44
VAL
CG2
26.443
.
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
11506
161
VAL
CG2
26.678
2
30101
130
VAL
CG2
26.689
1
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
25492
111
VAL
CG2
26.951
2
30098
111
VAL
CG2
26.982
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
25832
145
VAL
CG2
27.869
1
16305
124
VAL
CG2
28.049
2
6826
17
VAL
CG2
28.221
1
19156
103
VAL
CG2
28.322
2
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
25693
5
VAL
CG2
33.118
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
26012
217
VAL
CG2
11.375
.
26012
154
VAL
CG2
11.489
.
25887
63
VAL
CG2
12.755
1
25239
36
VAL
CG2
13.257
1
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
19777
41
VAL
CG2
14.764
.
18471
11
VAL
CG2
14.811
2
18734
74
VAL
CG2
14.841
1
4758
4
VAL
CG2
14.85
1
30375
98
VAL
CG2
14.891
.
16712
73
VAL
CG2
14.963
1
11086
104
VAL
CG2
15.001
2
25760
122
VAL
CG2
15.039
.
18118
94
VAL
CG2
15.071
2
16713
73
VAL
CG2
15.115
1
6904
69
VAL
CG2
15.12
1
26619
45
VAL
CG2
15.129
.
11233
62
VAL
CG2
15.156
2
5711
75
VAL
CG2
15.2
2
19232
146
VAL
CG2
15.26
1
16205
27
VAL
CG2
15.293
1
6612
28
VAL
CG2
15.3
.
6903
69
VAL
CG2
15.3085
1
30375
155
VAL
CG2
15.322
.
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
25294
100
VAL
CG2
15.447
.
25294
19
VAL
CG2
15.475
.
25760
47
VAL
CG2
15.492
.
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
34212
27
VAL
CG2
15.629
.
6745
13
VAL
CG2
15.634
1
18217
7
VAL
CG2
15.634
2
11242
59
VAL
CG2
15.64
2
19942
43
VAL
CG2
15.756
.
15240
32
VAL
CG2
15.771
1
6903
8
VAL
CG2
15.778
1
6111
33
VAL
CG2
15.79
1
34212
29
VAL
CG2
15.829
.
15618
7
VAL
CG2
15.831
2
19232
75
VAL
CG2
15.85
1
6725
36
VAL
CG2
15.85
1
6679
54
VAL
CG2
15.853
1
19736
27
VAL
CG2
15.862
1
15469
21
VAL
CG2
15.894
2
1642
56
VAL
CG2
15.9
2
5711
35
VAL
CG2
15.9
2
16887
93
VAL
CG2
15.921
2
27211
210
VAL
CG2
15.933
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
27211
329
VAL
CG2
15.966
2
19778
135
VAL
CG2
16
.
5711
66
VAL
CG2
16
2
6912
57
VAL
CG2
16
1
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
.
34041
86
VAL
CG2
16.058
2
11214
68
VAL
CG2
16.068
2
16114
26
VAL
CG2
16.093
2
7019
69
VAL
CG2
16.095
1
25573
100
VAL
CG2
16.1039
2
11451
139
VAL
CG2
16.106
2
6073
21
VAL
CG2
16.13
.
25803
25
VAL
CG2
16.134
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
25213
23
VAL
CG2
16.17
1
11129
86
VAL
CG2
16.182
2
7271
92
VAL
CG2
16.182
1
5185
42
VAL
CG2
16.21
1
7360
58
VAL
CG2
16.244
1
27078
65
VAL
CG2
16.27
1
19778
41
VAL
CG2
16.275
.
11018
43
VAL
CG2
16.29
1
30518
46
VAL
CG2
16.29
2
11137
17
VAL
CG2
16.299
2
16884
58
VAL
CG2
16.3
1
16205
235
VAL
CG2
16.301
1
19776
135
VAL
CG2
16.307
.
16157
29
VAL
CG2
16.33
1
5558
23
VAL
CG2
16.338
1
16205
193
VAL
CG2
16.347
1
34059
4
VAL
CG2
16.355
1
19516
13
VAL
CG2
16.364
1
19778
68
VAL
CG2
16.367
.
30246
132
VAL
CG2
16.368
.
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
25973
17
VAL
CG2
16.434
.
19777
135
VAL
CG2
16.441
.
18789
10
VAL
CG2
16.445
1
19778
161
VAL
CG2
16.448
.
10273
63
VAL
CG2
16.472
2
5393
102
VAL
CG2
16.476
2
16277
46
VAL
CG2
16.486
1
16266
71
VAL
CG2
16.489
2
17974
95
VAL
CG2
16.496
2
15046
21
VAL
CG2
16.5
1
5887
113
VAL
CG2
16.5
2
4127
53
VAL
CG2
16.5
1
4127
22
VAL
CG2
16.5
1
6912
84
VAL
CG2
16.5
1
18801
61
VAL
CG2
16.503
.
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
30375
92
VAL
CG2
16.562
.
6148
175
VAL
CG2
16.572
1
15010
22
VAL
CG2
16.579
1
11136
48
VAL
CG2
16.579
2
25138
4
VAL
CG2
16.6
1
11131
68
VAL
CG2
16.607
2
11131
66
VAL
CG2
16.626
2
16002
55
VAL
CG2
16.64
.
25972
17
VAL
CG2
16.643
.
19693
19
VAL
CG2
16.647
.
6111
48
VAL
CG2
16.65
1
16468
35
VAL
CG2
16.65
1
18405
2
VAL
CG2
16.66
2
18411
92
VAL
CG2
16.663
2
25967
26
VAL
CG2
16.665
1
16021
61
VAL
CG2
16.672
2
11073
61
VAL
CG2
16.679
2
17827
42
VAL
CG2
16.69
1
26717
94
VAL
CG2
16.7
1
15200
20
VAL
CG2
16.7
1
7004
84
VAL
CG2
16.7
1
16884
64
VAL
CG2
16.7
1
17597
211
VAL
CG2
16.7
2
27458
40
VAL
CG2
16.703
2
30290
76
VAL
CG2
16.713
.