VAL H Chemical Shift Outliers

___________________________________________________
VAL H Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
36547
8.283
3.98
12.585
0.672


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
4705
131
VAL
H
10.313
1
15164
406
VAL
H
10.318
1
325
62
VAL
H
10.32
1
326
62
VAL
H
10.33
1
940
62
VAL
H
10.33
1
7375
406
VAL
H
10.331
1
16578
27
VAL
H
10.336
1
4821
76
VAL
H
10.342
1
7003
136
VAL
H
10.349
1
6711
116
VAL
H
10.35
1
247
62
VAL
H
10.35
1
6811
36
VAL
H
10.36
.
6646
50
VAL
H
10.37
1
4986
261
VAL
H
10.38
1
16317
110
VAL
H
10.389
1
2261
35
VAL
H
10.4
1
349
40
VAL
H
10.4
1
15969
13
VAL
H
10.407
1
6022
42
VAL
H
10.41
1
19047
165
VAL
H
10.41
1
7014
100
VAL
H
10.415
1
19047
165
VAL
H
10.418
1
4437
8
VAL
H
10.42
1
19048
165
VAL
H
10.421
1
19048
165
VAL
H
10.434
1
5355
147
VAL
H
10.459
1
5595
52
VAL
H
10.46
1
16245
29
VAL
H
10.462
1
4343
191
VAL
H
10.54
1
16598
19
VAL
H
10.56
1
6024
19
VAL
H
10.588
1
17405
45
VAL
H
10.599
1
11041
90
VAL
H
10.612
1
17277
98
VAL
H
10.63
1
16193
81
VAL
H
10.64
1
6184
58
VAL
H
10.658
1
7238
19
VAL
H
10.661
1
6357
19
VAL
H
10.663
1
7239
19
VAL
H
10.663
1
7237
19
VAL
H
10.665
1
7236
19
VAL
H
10.695
1
15128
8
VAL
H
10.715
1
18053
97
VAL
H
10.724
1
7428
69
VAL
H
10.75
1
4377
36
VAL
H
10.79
1
18081
70
VAL
H
10.855
1
7059
163
VAL
H
10.892
1
15452
44
VAL
H
10.93
1
5224
86
VAL
H
10.95
1
4987
261
VAL
H
10.98
1
4318
164
VAL
H
10.98
1
16447
198
VAL
H
10.98
1
16708
183
VAL
H
11.03
1
4354
261
VAL
H
11.034
1
6807
261
VAL
H
11.049
1
15485
97
VAL
H
11.072
.
18081
70
VAL
H
11.274
1
18185
62
VAL
H
11.3
1
7089
136
VAL
H
11.38
1
15578
131
VAL
H
11.387
1
6895
101
VAL
H
11.389
1
15327
75
VAL
H
11.39
1
10264
65
VAL
H
11.467
1
18741
309
VAL
H
11.554
1
5819
80
VAL
H
11.63
1
18588
31
VAL
H
12.04
1
16133
122
VAL
H
12.585
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
4367
206
VAL
H
3.98
1
6231
41
VAL
H
4.72
1
6603
21
VAL
H
4.9
1
15554
9
VAL
H
5.029
1
4149
98
VAL
H
5.12
1
6475
64
VAL
H
5.221
1
16216
8
VAL
H
5.28
1
16447
68
VAL
H
5.34
1
10093
17
VAL
H
5.353
1
17399
6
VAL
H
5.4
1
11160
31
VAL
H
5.453
1
5232
121
VAL
H
5.52
1
5393
102
VAL
H
5.549
1
6829
69
VAL
H
5.592
1
7024
59
VAL
H
5.595
.
16803
58
VAL
H
5.65
1
6189
76
VAL
H
5.652
1
5073
59
VAL
H
5.688
.
15893
135
VAL
H
5.712
1
6748
43
VAL
H
5.719
.
15578
139
VAL
H
5.727
1
15596
56
VAL
H
5.743
1
15837
7
VAL
H
5.75
1
16675
39
VAL
H
5.771
1
5047
44
VAL
H
5.776
1
17476
47
VAL
H
5.796
1
280
58
VAL
H
5.8
1
5255
59
VAL
H
5.81
.
15110
55
VAL
H
5.832
1
19082
135
VAL
H
5.8578
1
7089
144
VAL
H
5.87
1
16372
28
VAL
H
5.873
1
18477
109
VAL
H
5.881
1
7053
23
VAL
H
5.91
1
5042
56
VAL
H
5.91
1
16692
64
VAL
H
5.937
1
17820
213
VAL
H
5.987
1
5516
119
VAL
H
5.99
1
4852
62
VAL
H
5.99
1
4703
56
VAL
H
6
1
17245
60
VAL
H
6.025
1
5658
45
VAL
H
6.03
1
18375
69
VAL
H
6.04
1
4914
59
VAL
H
6.06
1
15243
73
VAL
H
6.07
1
6518
27
VAL
H
6.1
1
16833
71
VAL
H
6.101
1
1991
37
VAL
H
6.11
1
4686
59
VAL
H
6.11
1
16567
58
VAL
H
6.125
1
4022
31
VAL
H
6.13
1
17960
96
VAL
H
6.137
1
17597
15
VAL
H
6.14
1
17448
31
VAL
H
6.147
1
16695
155
VAL
H
6.149
1
16266
44
VAL
H
6.154
1
15935
28
VAL
H
6.167
1
16600
58
VAL
H
6.17
1
260
39
VAL
H
6.18
1
18246
186
VAL
H
6.189
1
19272
119
VAL
H
6.191
1
4040
27
VAL
H
6.2
1
6505
11
VAL
H
6.202
1
5514
55
VAL
H
6.21
1
5886
142
VAL
H
6.22
1
18245
186
VAL
H
6.221
1
15606
53
VAL
H
6.222
1
15740
11
VAL
H
6.222
1
16542
51
VAL
H
6.225
1
16538
51
VAL
H
6.232
1
6055
146
VAL
H
6.24
1
6047
146
VAL
H
6.25
1
4453
56
VAL
H
6.25
1
15823
9
VAL
H
6.258
1
4155
58
VAL
H
6.26
1