VAL HG1 Chemical Shift Outliers

___________________________________________________
VAL HG1 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
48235
0.819
-27.2
24.2
0.335


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
1102
67
VAL
HG1
1.83
2
19984
28
VAL
HG1
1.83
1
5294
126
VAL
HG1
1.83
2
16443
9
VAL
HG1
1.831
1
19906
4
VAL
HG1
1.86
1
1184
67
VAL
HG1
1.87
2
5982
33
VAL
HG1
1.87
.
4777
72
VAL
HG1
1.87
1
5982
84
VAL
HG1
1.87
.
6888
64
VAL
HG1
1.888
2
4436
22
VAL
HG1
1.89
1
5325
49
VAL
HG1
1.898
1
11298
28
VAL
HG1
1.899
1
6967
123
VAL
HG1
1.93
2
10019
17
VAL
HG1
1.951
2
17497
74
VAL
HG1
1.956
2
18905
5
VAL
HG1
1.966
.
5489
6
VAL
HG1
1.979
4
5325
10
VAL
HG1
1.986
1
5344
64
VAL
HG1
2.01
2
4972
6
VAL
HG1
2.05
2
6967
51
VAL
HG1
2.06
1
77
7
VAL
HG1
2.12
2
6237
10
VAL
HG1
2.139
1
16443
67
VAL
HG1
2.283
2
15086
38
VAL
HG1
2.285
2
40
68
VAL
HG1
2.3
2
823
68
VAL
HG1
2.31
2
6685
60
VAL
HG1
2.373
2
5809
55
VAL
HG1
2.4
2
19421
3
VAL
HG1
2.422
2
4435
71
VAL
HG1
2.44
2
5809
55
VAL
HG1
2.45
2
6921
65
VAL
HG1
2.484
2
6230
60
VAL
HG1
2.55
2
5765
12
VAL
HG1
2.56
2
6230
60
VAL
HG1
2.57
2
16305
124
VAL
HG1
2.573
2
16307
120
VAL
HG1
2.76
1
5745
65
VAL
HG1
2.78
2
5805
37
VAL
HG1
24.2
1
3085
207
VAL
HG1
3.12
2
3084
207
VAL
HG1
3.25
2
5279
13
VAL
HG1
3.357
.
4744
13
VAL
HG1
3.434
.
5269
121
VAL
HG1
3.46
2
27462
51
VAL
HG1
4.113
.
16306
120
VAL
HG1
4.15
1
6634
68
VAL
HG1
4.2
2
5625
68
VAL
HG1
4.27
2
1394
58
VAL
HG1
5.98
2
1393
58
VAL
HG1
5.98
2


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
15809
87
VAL
HG1
-.188
1
16671
12
VAL
HG1
-.189
2
16179
12
VAL
HG1
-.189
2
7004
131
VAL
HG1
-.19
1
27078
102
VAL
HG1
-.19
1
4295
85
VAL
HG1
-.19
2
6371
102
VAL
HG1
-.19
1
11592
86
VAL
HG1
-.19
2
19904
103
VAL
HG1
-.191
2
11227
81
VAL
HG1
-.193
1
11570
122
VAL
HG1
-.194
2
19109
14
VAL
HG1
-.195
2
17251
157
VAL
HG1
-.197
2
5563
63
VAL
HG1
-.199
2
15617
81
VAL
HG1
-.2
2
25829
116
VAL
HG1
-.2
2
1891
49
VAL
HG1
-.2
1
18
18
VAL
HG1
-.2
1
5181
101
VAL
HG1
-.2
1
5317
25
VAL
HG1
-.2
1
18505
89
VAL
HG1
-.2
2
25324
72
VAL
HG1
-.204
2
25306
73
VAL
HG1
-.204
2
19083
122
VAL
HG1
-.207
.
17090
47
VAL
HG1
-.207
2
25732
60
VAL
HG1
-.208
.
17090
27
VAL
HG1
-.209
2
16347
77
VAL
HG1
-.21
2
6315
89
VAL
HG1
-.21
2
25702
69
VAL
HG1
-.21
2
30401
127
VAL
HG1
-.21
.
182
11
VAL
HG1
-.21
1
4283
77
VAL
HG1
-.21
1
19842
103
VAL
HG1
-.212
2
11118
85
VAL
HG1
-.213
1
15408
55
VAL
HG1
-.214
4
30326
89
VAL
HG1
-.215
1
16157
33
VAL
HG1
-.216
2
19777
135
VAL
HG1
-.216
.
5261
112
VAL
HG1
-.217
2
1211
31
VAL
HG1
-.22
1
5038
141
VAL
HG1
-.22
1
11086
68
VAL
HG1
-.22
1
18469
30
VAL
HG1
-.22
1
16007
22
VAL
HG1
-.221
2
15961
136
VAL
HG1
-.222
2
5152
54
VAL
HG1
-.224
1
16979
80
VAL
HG1
-.225
2
4841
62
VAL
HG1
-.227
1
17723
25
VAL
HG1
-.228
1
6138
37
VAL
HG1
-.229
2
6847
67
VAL
HG1
-.23
2
6117
33
VAL
HG1
-.23
4
27536
16
VAL
HG1
-.23
1
5571
144
VAL
HG1
-.23
2
11127
93
VAL
HG1
-.232
1
16679
147
VAL
HG1
-.233
2
16372
26
VAL
HG1
-.234
2
6603
67
VAL
HG1
-.235
2
25983
28
VAL
HG1
-.235
.
11258
76
VAL
HG1
-.235
1
19885
122
VAL
HG1
-.236
.
1210
31
VAL
HG1
-.24
1
4293
57
VAL
HG1
-.24
2
15684
68
VAL
HG1
-.241
.
30332
218
VAL
HG1
-.242
2
19368
30
VAL
HG1
-.242
2
19368
30
VAL
HG1
-.242
.
11291
83
VAL
HG1
-.243
1
19567
182
VAL
HG1
-.246
2
19565
182
VAL
HG1
-.246
2
15578
214
VAL
HG1
-.247
1
27249
231
VAL
HG1
-.247
.
16009
46
VAL
HG1
-.247
1
11184
52
VAL
HG1
-.247
1
6120
21
VAL
HG1
-.25
1
17521
24
VAL
HG1
-.252
1
25343
3
VAL
HG1
-.254
1
16006
3
VAL
HG1
-.255
2
10235
122
VAL
HG1
-.256
1
11010
101
VAL
HG1
-.257
1
6960
81
VAL
HG1
-.257
.
11010
168
VAL
HG1
-.259
1
6045
100
VAL
HG1
-.26
2
1212
31
VAL
HG1
-.26
1
6840
110
VAL
HG1
-.26
1
1213
31
VAL
HG1
-.26
1
1216
31
VAL
HG1
-.26
1
1217
31
VAL
HG1
-.26
1
6075
79
VAL
HG1
-.26
1
15931
42
VAL
HG1
-.261
2
18636
25
VAL
HG1
-.261
2
11095
55
VAL
HG1
-.262
1
17904
62
VAL
HG1
-.262
.
16902
154
VAL
HG1
-.263
4
17501
99
VAL
HG1
-.264
2
19229
32
VAL
HG1
-.264
2
4953
103
VAL
HG1
-.264
2
11104
21
VAL
HG1
-.266
1
34121
227
VAL
HG1
-.268
2
16019
23
VAL
HG1
-.268
2
17393
81
VAL
HG1
-.268
2
7220
54
VAL
HG1
-.269
2
18053
88
VAL
HG1
-.269
2
34225
30
VAL
HG1
-.27
2
19566
182
VAL
HG1
-.274
2
19664
88
VAL
HG1
-.276
1
6769
77
VAL
HG1
-.278
1
6093
67
VAL
HG1
-.279
1
27687
23
VAL
HG1
-.279
2
17995
99
VAL
HG1
-.28
2
25391
14
VAL
HG1
-.28
2
5814
19
VAL
HG1
-.28
1
30478
91
VAL
HG1
-.282
.
25968
23
VAL
HG1
-.28563
1
10032
69
VAL
HG1
-.286
1
6138
40
VAL
HG1
-.286
2
25893
79
VAL
HG1
-.288
2
11029
52
VAL
HG1
-.288
2
4267
67
VAL
HG1
-.29
1
5524
25
VAL
HG1
-.29
2
6364
100
VAL
HG1
-.29
1
5181
100
VAL
HG1
-.29
1
4900
24
VAL
HG1
-.29
2
17392
81
VAL
HG1
-.29
.
25649
40
VAL
HG1
-.291
2
5047
44
VAL
HG1
-.291
1
5798
38
VAL
HG1
-.294
2
30084
131
VAL
HG1
-.295
2
30080
131
VAL
HG1
-.295
2
30085
131
VAL
HG1
-.295
2
30086
131
VAL
HG1
-.295
2
30082
131
VAL
HG1
-.295
2
30081
131
VAL
HG1
-.295
2
30083
131
VAL
HG1
-.295
2
25139
42
VAL
HG1
-.297
1
25139
42
VAL
HG1
-.297
1
11152
90
VAL
HG1
-.298
1
11124
126
VAL
HG1
-.298
1
25324
5
VAL
HG1
-.298
2
17737
58
VAL
HG1
-.298
2
25306
6
VAL
HG1
-.298
2
15578
328
VAL
HG1
-.299
1
15034
32
VAL
HG1
-.3
1
5540
144
VAL
HG1
-.3
2
4428
41
VAL
HG1
-.3
.
25137
8
VAL
HG1
-.3003
2
27631
247
VAL
HG1
-.301
.
5535
50
VAL
HG1
-.302
1
11335
43
VAL
HG1
-.303
1
6901
66
VAL
HG1
-.304
2
15809
22
VAL
HG1
-.305
1
27833
89
VAL
HG1
-.305
2
19564
182
VAL
HG1
-.306
2
11119
92
VAL
HG1
-.306
1
16882
54
VAL
HG1
-.307
2
11096
91
VAL
HG1
-.308
1
1214
31
VAL
HG1
-.31
1
6309
88
VAL
HG1
-.31
1
1215
31
VAL
HG1
-.31
1
25379
34
VAL
HG1
-.31
1
6393
57
VAL
HG1
-.31
1
6309
29
VAL
HG1
-.31
1
27631
231
VAL
HG1
-.313
.
18663
108
VAL
HG1
-.313
2
25454
54
VAL
HG1
-.314
2
19423
81
VAL
HG1
-.317
2
15057
71
VAL
HG1
-.318
1
11094
55
VAL
HG1
-.319
1
11055
73
VAL
HG1
-.32
2
190
33
VAL
HG1
-.32
1
2063
39
VAL
HG1
-.32
1
15578
187
VAL
HG1
-.323
1
19107
99
VAL
HG1
-.324
.
17632
82
VAL
HG1
-.325
2
6032
101
VAL
HG1
-.33
.
16576
84
VAL
HG1
-.33
2
7414
156
VAL
HG1
-.331
1
25411
59
VAL
HG1
-.332
2
7414
15
VAL
HG1
-.332
1
34015
58
VAL
HG1
-.332
2
30477
91
VAL
HG1
-.332
.
25663
57
VAL
HG1
-.334
.
11106
97
VAL
HG1
-.335
1
16472
111
VAL
HG1
-.339
2
1719
33
VAL
HG1
-.34
1
17144
93
VAL
HG1
-.34
1
27612
122
VAL
HG1
-.34
1
5130
99
VAL
HG1
-.343
.
17608
31
VAL
HG1
-.343
2
19598
160
VAL
HG1
-.345
1
19153
67
VAL
HG1
-.345
2
16840
56
VAL
HG1
-.345
2
11235
70
VAL
HG1
-.345
1
17358
25
VAL
HG1
-.35
2
4435
65
VAL
HG1
-.35
2
7127
76
VAL
HG1
-.35
1
5466
49
VAL
HG1
-.35
.
19799
48
VAL
HG1
-.351
2
16444
54
VAL
HG1
-.356
1
19395
66
VAL
HG1
-.356
.
18663
173
VAL
HG1
-.356
2
5808
62
VAL
HG1
-.357
1
4114
22
VAL
HG1
-.36
2
25087
59
VAL
HG1
-.36
2
5304
49
VAL
HG1
-.36
1
18391
50
VAL
HG1
-.361
2
25953
21
VAL
HG1
-.362
.
16100
39
VAL
HG1
-.363
2
18391
50
VAL
HG1
-.366
2
34336
56
VAL
HG1
-.366
.
6604
84
VAL
HG1
-.366
2
5142
99
VAL
HG1
-.367
.
19806
143
VAL
HG1
-.368
2
6609
92
VAL
HG1
-.373
2
6620
91
VAL
HG1
-.374
2
5981
181
VAL
HG1
-.375
2
25477
24
VAL
HG1
-.377
1
30322
67
VAL
HG1
-.379
1
16124
84
VAL
HG1
-.379
2
6726
99
VAL
HG1
-.38
2
364
68
VAL
HG1
-.38
1
18662
34
VAL
HG1
-.38
2
1202
17
VAL
HG1
-.38
1
6280
281
VAL
HG1
-.3811
2
6724
113
VAL
HG1
-.382
.
11111
27
VAL
HG1
-.384
1
15028
79
VAL
HG1
-.384
2
5668
7
VAL
HG1
-.3879
2
5398
7
VAL
HG1
-.3879
2
25552
27
VAL
HG1
-.38941
2
34281
24
VAL
HG1
-.39
2
5630
94
VAL
HG1
-.39
2
5181
59
VAL
HG1
-.39
1
11116
21
VAL
HG1
-.39
1
6503
84
VAL
HG1
-.391
2
16195
130
VAL
HG1
-.394
2
4751
99
VAL
HG1
-.4
2
346
33
VAL
HG1
-.4
1
5628
138
VAL
HG1
-.4
2
26517
51
VAL
HG1
-.4
2
27781
88
VAL
HG1
-.4
2
5054
147
VAL
HG1
-.4
2
18882
137
VAL
HG1
-.4
.
17809
91
VAL
HG1
-.4
1
6392
57
VAL
HG1
-.4
1
10119
59
VAL
HG1
-.401
1
25446
76
VAL
HG1
-.402
.
11508
79
VAL
HG1
-.403
2
16872
16
VAL
HG1
-.407
2
25909
55
VAL
HG1
-.407
2
6803
46
VAL
HG1
-.411
4
17693
15
VAL
HG1
-.411
2
19646
81
VAL
HG1
-.411
2
30370
28
VAL
HG1
-.412
2
17268
21
VAL
HG1
-.414
2
25984
28
VAL
HG1
-.414
.
18282
58
VAL
HG1
-.4147
2
6049
107
VAL
HG1
-.415
.
25447
78
VAL
HG1
-.417
.
25910
55
VAL
HG1
-.418
2
10028
31
VAL
HG1
-.419
1
18047
67
VAL
HG1
-.422
1
10080
100
VAL
HG1
-.422
1
16819
32
VAL
HG1
-.423
4
18358
32
VAL
HG1
-.423
4
18663
149
VAL
HG1
-.429
2
16007
117
VAL
HG1
-.429
2
5794
149
VAL
HG1
-.43
2
19044
63
VAL
HG1
-.43
2
17242
21
VAL
HG1
-.438
.
6685
177
VAL
HG1
-.439
2
7280
56
VAL
HG1
-.44
2
4727
21
VAL
HG1
-.44
1
11232
86
VAL
HG1
-.442
1
17226
94
VAL
HG1
-.449
2
16186
30
VAL
HG1
-.45
2
6230
137
VAL
HG1
-.45
1
6230
137
VAL
HG1
-.45
1
16958
54
VAL
HG1
-.45
2
16881
120
VAL
HG1
-.45
1
17608
178
VAL
HG1
-.458
2
16042
84
VAL
HG1
-.459
2
4849
114
VAL
HG1
-.46
2
4849
135
VAL
HG1
-.46
2
18422
24
VAL
HG1
-.46
2
6903
6
VAL
HG1
-.464
1
17953
135
VAL
HG1
-.466
.
16049
84
VAL
HG1
-.47
2
16048
84
VAL
HG1
-.47
2
1205
17
VAL
HG1
-.47
1
1204
17
VAL
HG1
-.47
1
4062
18
VAL
HG1
-.47
2
27041
40
VAL
HG1
-.47
2
1203
17
VAL
HG1
-.47
1
11327
36
VAL
HG1
-.471
1
17369
92
VAL
HG1
-.475
2
4919
130
VAL
HG1
-.476
1
16047
84
VAL
HG1
-.477
2
16206
83
VAL
HG1
-.48
.
5968
42
VAL
HG1
-.48
1
27666
107
VAL
HG1
-.488
2
5172
63
VAL
HG1
-.49
1
6322
58
VAL
HG1
-.49
1
6718
42
VAL
HG1
-.491
1
18904
123
VAL
HG1
-.492
.
18734
74
VAL
HG1
-.492
1
11092
69
VAL
HG1
-.495
1
30334
24
VAL
HG1
-.498
.
18390
64
VAL
HG1
-.499
1
5250
41
VAL
HG1
-.5
2
7097
14
VAL
HG1
-.5
.
4686
59
VAL
HG1
-.5
2
15110
55
VAL
HG1
-.506
2
19256
105
VAL
HG1
-.50852
.
19598
9
VAL
HG1
-.509
1
7274
19
VAL
HG1
-.513
1
6620
135
VAL
HG1
-.518
2
11181
89
VAL
HG1
-.519
1
1702
11
VAL
HG1
-.52
1
5969
40
VAL
HG1
-.52
1
6280
54
VAL
HG1
-.5207
2
19598
82
VAL
HG1
-.523
1
36018
42
VAL
HG1
-.527
2
30189
92
VAL
HG1
-.533
1
19417
92
VAL
HG1
-.533
1
27249
249
VAL
HG1
-.534
.
30290
19
VAL
HG1
-.539
.
15444
32
VAL
HG1
-.54
2
16970
55
VAL
HG1
-.541
2
6400
59
VAL
HG1
-.542
2
6904
6
VAL
HG1
-.55
1
18238
95
VAL
HG1
-.55
2
15100
96
VAL
HG1
-.55
1
17799
103
VAL
HG1
-.55
2
6726
113
VAL
HG1
-.55
2
17588
69
VAL
HG1
-.562
2
18387
136
VAL
HG1
-.569
2
182
91
VAL
HG1
-.57
1
16365
30
VAL
HG1
-.57
1
15664
78
VAL
HG1
-.57
1
1205
68
VAL
HG1
-.57
1
16649
41
VAL
HG1
-.572
1
11330
63
VAL
HG1
-.573
1
11098
17
VAL
HG1
-.573
1
25437
93
VAL
HG1
-.574
.
10271
77
VAL
HG1
-.578
1
18419
88
VAL
HG1
-.58
2
4087
85
VAL
HG1
-.58
2
18793
89
VAL
HG1
-.582
2
16572
78
VAL
HG1
-.585
2
4062
69
VAL
HG1
-.59
2
5679
56
VAL
HG1
-.59
1
6686
56
VAL
HG1
-.59
.
5623
19
VAL
HG1
-.593
1
11300
24
VAL
HG1
-.593
1
15596
56
VAL
HG1
-.598
2
5027
72
VAL
HG1
-.6
1
15338
66
VAL
HG1
-.6
2
15679
80
VAL
HG1
-.604
2
15807
127
VAL
HG1
-.606
2
4940
5
VAL
HG1
-.61
2
10120
52
VAL
HG1
-.613
1
7351
71
VAL
HG1
-.617
2
7115
176
VAL
HG1
-.62
2
7013
94
VAL
HG1
-.62
2
18422
120
VAL
HG1
-.62
2
7178
72
VAL
HG1
-.62
2
17903
33
VAL
HG1
-.623
.
5393
102
VAL
HG1
-.636
2
34048
65
VAL
HG1
-.64
2
4703
56
VAL
HG1
-.64
2
30295
93
VAL
HG1
-.6435
2
5820
78
VAL
HG1
-.647
.
18250
95
VAL
HG1
-.657
2
4282
72
VAL
HG1
-.66
2
17448
31
VAL
HG1
-.66
2
30537
43
VAL
HG1
-.66
1
19738
90
VAL
HG1
-.665
2
18439
90
VAL
HG1
-.665
2
10253
14
VAL
HG1
-.667
1
4177
60
VAL
HG1
-.67
2
18613
46
VAL
HG1
-.675
2
18423
120
VAL
HG1
-.68
1
5807
85
VAL
HG1
-.69
2
18793
98
VAL
HG1
-.693
2
16007
61
VAL
HG1
-.697
2
10277
30
VAL
HG1
-.702
1
17806
81
VAL
HG1
-.711
.
19807
136
VAL
HG1
-.712
2
36061
145
VAL
HG1
-.714
1
15063
106
VAL
HG1
-.723
2
4436
71
VAL
HG1
-.74
1
6607
55
VAL
HG1
-.75
2
5145
110
VAL
HG1
-.75
2
7286
38
VAL
HG1
-.755
2
4914
59
VAL
HG1
-.78
1
15848
92
VAL
HG1
-.78
1
17382
46
VAL
HG1
-.785
2
7103
107
VAL
HG1
-.79
1
4852
62
VAL
HG1
-.79
1
16992
61
VAL
HG1
-.794
1
7204
121
VAL
HG1
-.799
2
15509
55
VAL
HG1
-.8
2
30094
104
VAL
HG1
-.801
2
6693
124
VAL
HG1
-.802
1
15109
55
VAL
HG1
-.821
2
15702
142
VAL
HG1
-.83
1
4590
56
VAL
HG1
-.83
1
11100
31
VAL
HG1
-.855
1
1413
68
VAL
HG1
-.9
1
6936
32
VAL
HG1
-.907
2
1204
68
VAL
HG1
-.93
1
16613
7
VAL
HG1
-.937
1
17079
24
VAL
HG1
-.94
2
5623
64
VAL
HG1
-.952
1
27051
82
VAL
HG1
-.964
2
18186
29
VAL
HG1
-.993
2
4435
1
VAL
HG1
-1
2
16443
11
VAL
HG1
-1.019
1
19806
31
VAL
HG1
-1.019
2
292
68
VAL
HG1
-1.02
1
1203
68
VAL
HG1
-1.05
1
4435
22
VAL
HG1
-1.06
1
17683
28
VAL
HG1
-1.06
2
4334
72
VAL
HG1
-1.09
1
19551
171
VAL
HG1
-1.091
2
16348
82
VAL
HG1
-1.12
2
11507
158
VAL
HG1
-1.128
1
15509
57
VAL
HG1
-1.18
2
6340
101
VAL
HG1
-1.192
2
6634
18
VAL
HG1
-1.25
2
15109
57
VAL
HG1
-1.287
2
161
67
VAL
HG1
-1.29
1
5625
18
VAL
HG1
-1.31
2
5269
87
VAL
HG1
-1.33
1
16674
67
VAL
HG1
-1.483
1
16674
68
VAL
HG1
-1.483
1
180
67
VAL
HG1
-1.5
1
1144
67
VAL
HG1
-1.55
1
16849
41
VAL
HG1
-1.692
2
15375
41
VAL
HG1
-1.692
2
7125
62
VAL
HG1
-1.763
2
7125
67
VAL
HG1
-1.827
2
4436
72
VAL
HG1
-1.97
1
16443
18
VAL
HG1
-2.083
1
18919
123
VAL
HG1
-2.403
.
16443
68
VAL
HG1
-2.493
2
2218
63
VAL
HG1
-27.2
1
5809
93
VAL
HG1
-3.14
1
5809
93
VAL
HG1
-3.14
1
6230
98
VAL
HG1
-3.7
1
6230
98
VAL
HG1
-3.86
1
3085
143
VAL
HG1
-4
1
4435
72
VAL
HG1
-4.16
1
3084
143
VAL
HG1
-7.2
1
16849
8
VAL
HG1
-8.398
2
15375
8
VAL
HG1
-8.398
2