VAL H Chemical Shift Outliers

___________________________________________________
VAL H Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
72717
8.272
-.41
15.05
0.682


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
5684
9
VAL
H
10.33
1
940
62
VAL
H
10.33
1
326
62
VAL
H
10.33
1
7375
406
VAL
H
10.331
1
4744
4
VAL
H
10.333
.
25463
49
VAL
H
10.334
1
16340
62
VAL
H
10.335
1
16578
27
VAL
H
10.336
1
25827
40
VAL
H
10.339
1
4821
76
VAL
H
10.342
1
26857
152
VAL
H
10.345
1
7003
136
VAL
H
10.349
1
6711
116
VAL
H
10.35
1
247
62
VAL
H
10.35
1
758
55
VAL
H
10.35
1
19560
136
VAL
H
10.35
1
17416
242
VAL
H
10.36
1
6811
36
VAL
H
10.36
.
26752
12
VAL
H
10.367
1
25462
49
VAL
H
10.368
1
6646
50
VAL
H
10.37
1
10135
53
VAL
H
10.379
1
4986
261
VAL
H
10.38
1
25389
53
VAL
H
10.38
1
4960
55
VAL
H
10.38
1
16404
116
VAL
H
10.38
1
390
64
VAL
H
10.38
1
16317
110
VAL
H
10.389
1
5086
53
VAL
H
10.39
1
349
40
VAL
H
10.4
1
2261
35
VAL
H
10.4
1
5088
54
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
968
55
VAL
H
10.41
1
7014
100
VAL
H
10.415
1
19047
165
VAL
H
10.418
1
27146
89
VAL
H
10.419
1
5279
4
VAL
H
10.42
.
4437
8
VAL
H
10.42
1
19048
165
VAL
H
10.421
1
969
55
VAL
H
10.43
1
19048
165
VAL
H
10.434
1
26761
139
VAL
H
10.436
.
1333
55
VAL
H
10.45
1
10133
55
VAL
H
10.457
1
5355
147
VAL
H
10.459
1
5595
52
VAL
H
10.46
1
2968
55
VAL
H
10.46
1
16245
29
VAL
H
10.462
1
16443
37
VAL
H
10.473
1
4578
55
VAL
H
10.5
1
26590
19
VAL
H
10.5011
1
11601
83
VAL
H
10.502
1
19726
52
VAL
H
10.519
1
30523
48
VAL
H
10.52
1
26534
48
VAL
H
10.52
1
18876
91
VAL
H
10.537
1
4343
191
VAL
H
10.54
1
16598
19
VAL
H
10.56
1
6572
37
VAL
H
10.56
1
7296
55
VAL
H
10.573
1
19736
92
VAL
H
10.578
1
6024
19
VAL
H
10.588
1
16210
19
VAL
H
10.592
1
26586
19
VAL
H
10.5966
1
17405
45
VAL
H
10.599
1
11041
90
VAL
H
10.612
1
4236
87
VAL
H
10.62
1
16849
5
VAL
H
10.621
1
15375
5
VAL
H
10.621
1
4329
71
VAL
H
10.63
1
17277
98
VAL
H
10.63
1
19737
200
VAL
H
10.635
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
25477
13
VAL
H
10.729
1
7428
69
VAL
H
10.75
1
1673
13
VAL
H
10.79
1
1379
66
VAL
H
10.79
1
4377
36
VAL
H
10.79
1
27612
34
VAL
H
10.811
1
18081
70
VAL
H
10.855
1
376
66
VAL
H
10.88
1
7059
163
VAL
H
10.892
1
34101
93
VAL
H
10.923
1
15452
44
VAL
H
10.93
1
5897
28
VAL
H
10.95
1
5224
86
VAL
H
10.95
1
10120
113
VAL
H
10.955
1
7114
261
VAL
H
10.96
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
.
26932
67
VAL
H
11.11
1
16063
102
VAL
H
11.12
1
6393
62
VAL
H
11.15
1
25237
261
VAL
H
11.174
1
25663
62
VAL
H
11.229
.
18081
70
VAL
H
11.274
1
19098
76
VAL
H
11.285
1
18185
62
VAL
H
11.3
1
6392
62
VAL
H
11.34
1
7089
136
VAL
H
11.38
1
25859
136
VAL
H
11.38
1
15578
131
VAL
H
11.387
1
30375
180
VAL
H
11.387
.
6895
101
VAL
H
11.389
1
15327
75
VAL
H
11.39
1
11351
14
VAL
H
11.427
1
10264
65
VAL
H
11.467
1
6444
131
VAL
H
11.467
.
6391
137
VAL
H
11.48
1
25831
84
VAL
H
11.519
1
7000
46
VAL
H
11.54
1
25488
212
VAL
H
11.554
1
18741
309
VAL
H
11.554
1
25489
212
VAL
H
11.556
1
25485
211
VAL
H
11.592
1
5819
80
VAL
H
11.63
1
6910
15
VAL
H
11.66
1
18439
107
VAL
H
11.7
1
19738
107
VAL
H
11.72
1
6965
80
VAL
H
11.81
1
18588
31
VAL
H
12.04
1
16133
122
VAL
H
12.585
1
15375
8
VAL
H
14.71
1
16849
8
VAL
H
14.71
1
16849
41
VAL
H
15.05
1
15375
41
VAL
H
15.05
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
5864
7
VAL
H
-.41
.
7016
33
VAL
H
.02
.
7016
46
VAL
H
.02
.
7016
61
VAL
H
.02
.
7016
16
VAL
H
.02
.
7016
67
VAL
H
.02
.
30133
38
VAL
H
.715
9
4076
183
VAL
H
3.98
1
4367
206
VAL
H
3.98
1
6249
238
VAL
H
4.47
1
6231
41
VAL
H
4.72
1
30167
10
VAL
H
4.728
1
17755
41
VAL
H
4.815
1
4154
98
VAL
H
4.88
1
1551
98
VAL
H
4.88
1
2278
98
VAL
H
4.88
1
6847
21
VAL
H
4.897
1
6603
21
VAL
H
4.9
1
4184
4
VAL
H
4.98
1
16181
12
VAL
H
5
1
16179
12
VAL
H
5.02
1
16180
12
VAL
H
5.02
1
15554
9
VAL
H
5.029
1
16671
12
VAL
H
5.03
1
34123
29
VAL
H
5.058
.
6249
62
VAL
H
5.09
1
4149
98
VAL
H
5.12
1
30042
22
VAL
H
5.164
1
16481
220
VAL
H
5.188
1
16481
220
VAL
H
5.205
1
34005
21
VAL
H
5.205
1
6475
64
VAL
H
5.221
1
19051
85
VAL
H
5.248
1
16216
8
VAL
H
5.28
1
6249
97
VAL
H
5.29
1
26597
146
VAL
H
5.318
1
11531
47
VAL
H
5.33
.
16447
68
VAL
H
5.34
1
10093
17
VAL
H
5.353
1
26598
146
VAL
H
5.38
1
26901
54
VAL
H
5.384
1
4953
95
VAL
H
5.387
1
17399
6
VAL
H
5.4
1
11160
31
VAL
H
5.453
1
5876
74
VAL
H
5.492
1
5232
121
VAL
H
5.52
1
5393
102
VAL
H
5.549
1
4590
56
VAL
H
5.56
1
6365
43
VAL
H
5.59
1
6829
69
VAL
H
5.592
1
7024
59
VAL
H
5.595
.
7297
83
VAL
H
5.611
1
6298
4
VAL
H
5.621
.
16803
58
VAL
H
5.65
1
6189
76
VAL
H
5.652
1
26991
59
VAL
H
5.677
1
5073
59
VAL
H
5.688
.
4177
60
VAL
H
5.7
1
34232
58
VAL
H
5.71
1
4778
39
VAL
H
5.71
1
27284
105
VAL
H
5.711
.
15893
135
VAL
H
5.712
1
6748
43
VAL
H
5.719
.
15578
139
VAL
H
5.727
1
6249
110
VAL
H
5.74
1
15596
56
VAL
H
5.743
1
15837
7
VAL
H
5.75
1
6444
139
VAL
H
5.753
.
26972
128
VAL
H
5.76
1
15594
68
VAL
H
5.76
1
16675
39
VAL
H
5.771
1
5047
44
VAL
H
5.776
1
6391
145
VAL
H
5.78
1
27312
127
VAL
H
5.787
1
17476
47
VAL
H
5.796
1
26759
105
VAL
H
5.797
1
280
58
VAL
H
5.8
1
5255
59
VAL
H
5.81
.
6249
117
VAL
H
5.81
1
15110
55
VAL
H
5.832
1
19335
59
VAL
H
5.842
.
19082
135
VAL
H
5.8578
1
30316
58
VAL
H
5.861
1
7089
144
VAL
H
5.87
1
25859
144
VAL
H
5.87
1
16372
28
VAL
H
5.873
1
18477
109
VAL
H
5.881
1
27589
174
VAL
H
5.893
1
19028
40
VAL
H
5.893
1
26768
125
VAL
H
5.9
1
18758
24
VAL
H
5.91
1
5042
56
VAL
H
5.91
1
7053
23
VAL
H
5.91
1
25504
133
VAL
H
5.914
1
16692
64
VAL
H
5.937
1
27588
174
VAL
H
5.945
1
10300
87
VAL
H
5.951
1
27346
48
VAL
H
5.959
1
27590
174
VAL
H
5.964
1
26767
122
VAL
H
5.97837
.
15335
110
VAL
H
5.985
1
17820
213
VAL
H
5.987
1
26048
145
VAL
H
5.987
1
5516
119
VAL
H
5.99
1
4852
62
VAL
H
5.99
1
34201
7
VAL
H
6
1
4703
56
VAL
H
6
1
27844
86
VAL
H
6.001
.
6418
190
VAL
H
6.015
1
6249
251
VAL
H
6.02
1
26648
26
VAL
H
6.02
1
18609
236
VAL
H
6.021
1
30322
4
VAL
H
6.021
1
17245
60
VAL
H
6.025
1
5658
45
VAL
H
6.03
1
18375
69
VAL
H
6.04
1
19069
58
VAL
H
6.04
1
16063
137
VAL
H
6.04
1
27091
120
VAL
H
6.042
.
5787
17
VAL
H
6.052
1
25727
51
VAL
H
6.06
.
4914
59
VAL
H
6.06
1
19838
61
VAL
H
6.066
1
34180
70
VAL
H
6.068
1
19839
61
VAL
H
6.068
1
15243
73
VAL
H
6.07
1
17415
43
VAL
H
6.08
1
26983
51
VAL
H
6.083
1
18601
236
VAL
H
6.099
1
6518
27
VAL
H
6.1
1
16833
71
VAL
H
6.101
1
4686
59
VAL
H
6.11
1
17415
395
VAL
H
6.11
1
6249
96
VAL
H
6.11
1
1991
37
VAL
H
6.11
1
27249
165
VAL
H
6.114
.
25728
51
VAL
H
6.12
.
16567
58
VAL
H
6.125
1
11001
126
VAL
H
6.13
1
34185
20
VAL
H
6.13
1
4022
31
VAL
H
6.13
1
6935
188
VAL
H
6.13
1
17960
96
VAL
H
6.137
1
25639
61
VAL
H
6.14
1
27859
31
VAL
H
6.14
.
17597
15
VAL
H
6.14
1
27411
19
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
19787
15
VAL
H
6.157
1
27080
129
VAL
H
6.158
1
6832
188
VAL
H
6.16
1
25556
41
VAL
H
6.16
1
4436
72
VAL
H
6.16
1
27632
165
VAL
H
6.162
.
15935
28
VAL
H
6.167
1
5601
37
VAL
H
6.17
1
16600
58
VAL
H
6.17
1
6249
150
VAL
H
6.17
1
5601
38
VAL
H
6.17
1
5601
38
VAL
H
6.17
1
19490
140
VAL
H
6.178
1
6249
39
VAL
H
6.18
1
260
39
VAL
H
6.18
1
4397
59
VAL
H
6.18
1
26646
166
VAL
H
6.188
1
18246
186
VAL
H
6.189
1
19272
119
VAL
H
6.191
1
27133
127
VAL
H
6.191
1
4040
27
VAL
H
6.2
1
6505
11
VAL
H
6.202
1
11609
53
VAL
H
6.208
1
25628
148
VAL
H
6.20816
.
5514
55
VAL
H
6.21
1
5467
60
VAL
H
6.215
1
27133
127
VAL
H
6.217
1
27791
48
VAL
H
6.219
1
25629
148
VAL
H
6.21974
.
27791
48
VAL
H
6.22
1
5886
142
VAL
H
6.22
1
18245
186
VAL
H
6.221
1
27791
48
VAL
H
6.221
1
15606
53
VAL
H
6.222
1
15740
11
VAL
H
6.222
1
27631
165
VAL
H
6.222
.
27791
48
VAL
H
6.224
1