VAL HG2 Chemical Shift Outliers

___________________________________________________
VAL HG2 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
24712
0.804
-2.32
2.78
0.278


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
5294
126
VAL
HG2
1.65
2
5833
31
VAL
HG2
1.66
2
4857
112
VAL
HG2
1.69
1
4285
55
VAL
HG2
1.69
1
1135
6
VAL
HG2
1.71
1
11298
54
VAL
HG2
1.721
1
4972
6
VAL
HG2
1.74
2
5982
84
VAL
HG2
1.74
.
17526
133
VAL
HG2
1.773
2
11298
41
VAL
HG2
1.796
1
5734
3
VAL
HG2
1.8
1
11298
38
VAL
HG2
1.802
1
11298
28
VAL
HG2
1.804
1
5982
33
VAL
HG2
1.82
.
4893
58
VAL
HG2
1.86
1
1183
67
VAL
HG2
1.87
2
5710
58
VAL
HG2
1.875
2
2006
67
VAL
HG2
2
2
11305
46
VAL
HG2
2.052
1
15867
135
VAL
HG2
2.08
1
6237
10
VAL
HG2
2.139
1
5765
12
VAL
HG2
2.51
2
16305
124
VAL
HG2
2.573
2
824
68
VAL
HG2
2.78
2


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
16999
26
VAL
HG2
-.033
1
16260
39
VAL
HG2
-.033
2
6727
63
VAL
HG2
-.034
2
10274
78
VAL
HG2
-.034
1
18047
67
VAL
HG2
-.034
1
4159
22
VAL
HG2
-.035
2
15554
9
VAL
HG2
-.035
2
10039
35
VAL
HG2
-.035
1
7033
8
VAL
HG2
-.037
2
17139
121
VAL
HG2
-.038
2
18792
119
VAL
HG2
-.038
1
1205
17
VAL
HG2
-.04
1
6912
69
VAL
HG2
-.04
2
5786
117
VAL
HG2
-.04
1
7226
47
VAL
HG2
-.04
2
4952
51
VAL
HG2
-.04
2
15038
74
VAL
HG2
-.04
2
16555
38
VAL
HG2
-.04
2
6079
58
VAL
HG2
-.041
1
15424
77
VAL
HG2
-.041
2
15247
85
VAL
HG2
-.041
2
17551
83
VAL
HG2
-.041
2
15720
117
VAL
HG2
-.042
2
7339
117
VAL
HG2
-.042
2
11029
52
VAL
HG2
-.043
2
11265
50
VAL
HG2
-.044
1
11053
101
VAL
HG2
-.044
2
17242
77
VAL
HG2
-.046
.
17030
60
VAL
HG2
-.046
1
11294
75
VAL
HG2
-.048
1
4840
68
VAL
HG2
-.05
2
4318
26
VAL
HG2
-.05
2
4019
3
VAL
HG2
-.05
2
16347
139
VAL
HG2
-.05
2
6840
103
VAL
HG2
-.05
1
17510
46
VAL
HG2
-.053
1
16100
91
VAL
HG2
-.054
2
6339
95
VAL
HG2
-.054
2
16442
30
VAL
HG2
-.054
.
11053
28
VAL
HG2
-.054
2
10080
100
VAL
HG2
-.056
1
16370
90
VAL
HG2
-.057
1
15935
37
VAL
HG2
-.059
2
11353
20
VAL
HG2
-.059
1
6973
101
VAL
HG2
-.06
.
4879
29
VAL
HG2
-.06
2
4091
96
VAL
HG2
-.06
2
5505
29
VAL
HG2
-.06
2
6364
100
VAL
HG2
-.06
1
17838
90
VAL
HG2
-.06
2
7167
90
VAL
HG2
-.06
2
15139
31
VAL
HG2
-.06
1
5048
87
VAL
HG2
-.06
1
6321
32
VAL
HG2
-.061
1
11250
59
VAL
HG2
-.061
2
4371
18
VAL
HG2
-.063
.
18917
57
VAL
HG2
-.064
2
17683
28
VAL
HG2
-.065
2
15334
48
VAL
HG2
-.066
2
6578
115
VAL
HG2
-.066
2
17826
100
VAL
HG2
-.068
2
15570
25
VAL
HG2
-.07
2
5078
21
VAL
HG2
-.07
2
16593
76
VAL
HG2
-.07
2
7019
45
VAL
HG2
-.07
2
6315
89
VAL
HG2
-.07
2
6079
31
VAL
HG2
-.07
1
15679
39
VAL
HG2
-.072
2
11053
171
VAL
HG2
-.074
2
18332
83
VAL
HG2
-.074
2
16840
56
VAL
HG2
-.077
2
15851
78
VAL
HG2
-.078
2
10057
43
VAL
HG2
-.079
1
5604
55
VAL
HG2
-.08
1
6004
11
VAL
HG2
-.08
2
5328
49
VAL
HG2
-.08
2
16193
55
VAL
HG2
-.08
1
5999
102
VAL
HG2
-.08
1
6578
10
VAL
HG2
-.08
2
186
3
VAL
HG2
-.08
1
6079
77
VAL
HG2
-.082
1
11308
81
VAL
HG2
-.084
1
11053
182
VAL
HG2
-.084
2
18793
13
VAL
HG2
-.087
2
7085
54
VAL
HG2
-.088
2
18269
13
VAL
HG2
-.089
2
5820
163
VAL
HG2
-.089
.
169
3
VAL
HG2
-.09
1
17577
49
VAL
HG2
-.09
1
4969
20
VAL
HG2
-.09
2
18111
15
VAL
HG2
-.09
2
19179
19
VAL
HG2
-.092
2
16101
72
VAL
HG2
-.097
2
18443
76
VAL
HG2
-.098
2
7287
33
VAL
HG2
-.099
1
5042
37
VAL
HG2
-.1
2
10085
62
VAL
HG2
-.1
1
15097
182
VAL
HG2
-.1
2
4210
18
VAL
HG2
-.1
1
15617
81
VAL
HG2
-.1
2
5661
22
VAL
HG2
-.1
2
10083
119
VAL
HG2
-.104
1
11211
81
VAL
HG2
-.104
1
15952
111
VAL
HG2
-.105
.
10107
54
VAL
HG2
-.106
1
17279
61
VAL
HG2
-.109
2
5185
42
VAL
HG2
-.11
1
16365
24
VAL
HG2
-.11
1
4305
69
VAL
HG2
-.11
1
6346
101
VAL
HG2
-.111
4
6321
80
VAL
HG2
-.112
1
19003
32
VAL
HG2
-.113
2
10074
48
VAL
HG2
-.114
1
6786
30
VAL
HG2
-.115
1
5535
50
VAL
HG2
-.116
1
17799
103
VAL
HG2
-.118
2
15576
95
VAL
HG2
-.119
2
6972
16
VAL
HG2
-.12
2
16440
10
VAL
HG2
-.12
2
16329
160
VAL
HG2
-.12
2
16833
71
VAL
HG2
-.12
1
11261
77
VAL
HG2
-.121
1
19297
33
VAL
HG2
-.123
1
5072
17
VAL
HG2
-.123
2
11246
40
VAL
HG2
-.124
1
15746
83
VAL
HG2
-.126
2
16929
25
VAL
HG2
-.126
2
17637
18
VAL
HG2
-.129
2
17806
81
VAL
HG2
-.13
.
16536
8
VAL
HG2
-.13
1
2063
3
VAL
HG2
-.13
1
5968
42
VAL
HG2
-.13
1
17352
90
VAL
HG2
-.134
.
17479
159
VAL
HG2
-.134
1
6956
89
VAL
HG2
-.135
2
18823
76
VAL
HG2
-.135
2
15313
160
VAL
HG2
-.138
2
7008
152
VAL
HG2
-.139
.
5237
30
VAL
HG2
-.139
4
17586
9
VAL
HG2
-.14
.
17443
141
VAL
HG2
-.14
2
17831
119
VAL
HG2
-.14
2
15821
54
VAL
HG2
-.141
1
18152
61
VAL
HG2
-.142
2
16267
134
VAL
HG2
-.146
1
5756
76
VAL
HG2
-.15
2
18156
44
VAL
HG2
-.15
1
16679
102
VAL
HG2
-.152
2
16872
16
VAL
HG2
-.154
2
11141
115
VAL
HG2
-.155
1
10270
91
VAL
HG2
-.158
1
10274
35
VAL
HG2
-.158
1
6097
34
VAL
HG2
-.16
2
5235
88
VAL
HG2
-.16
1
7118
4
VAL
HG2
-.16
.
7086
37
VAL
HG2
-.16
2
16803
39
VAL
HG2
-.161
2
6755
93
VAL
HG2
-.162
1
11125
78
VAL
HG2
-.164
1
18592
26
VAL
HG2
-.165
.
17636
40
VAL
HG2
-.165
2
6012
37
VAL
HG2
-.165
1
11102
41
VAL
HG2
-.165
1
11098
17
VAL
HG2
-.166
1
16578
9
VAL
HG2
-.169
1
17303
82
VAL
HG2
-.17
1
16186
30
VAL
HG2
-.17
2
6912
63
VAL
HG2
-.17
2
15446
57
VAL
HG2
-.172
2
15110
36
VAL
HG2
-.173
2
15249
98
VAL
HG2
-.174
1
11053
155
VAL
HG2
-.174
2
18792
91
VAL
HG2
-.175
1
11104
21
VAL
HG2
-.176
1
16833
27
VAL
HG2
-.177
1
18726
78
VAL
HG2
-.177599
1
16613
56
VAL
HG2
-.179
2
18053
81
VAL
HG2
-.179
2
11090
102
VAL
HG2
-.18
1
15209
6
VAL
HG2
-.18
1
15715
106
VAL
HG2
-.18
1
19198
46
VAL
HG2
-.184
2
15618
56
VAL
HG2
-.186
2
18375
69
VAL
HG2
-.19
1
4342
46
VAL
HG2
-.19
2
11311
114
VAL
HG2
-.191
1
18653
136
VAL
HG2
-.193
1
6439
27
VAL
HG2
-.194
2
15469
70
VAL
HG2
-.194
2
10091
48
VAL
HG2
-.196
1
15020
65
VAL
HG2
-.199
2
5482
99
VAL
HG2
-.2
1
5946
103
VAL
HG2
-.2
2
5866
122
VAL
HG2
-.2
2
19149
17
VAL
HG2
-.2
.
1891
49
VAL
HG2
-.2
1
17653
56
VAL
HG2
-.2
2
5361
26
VAL
HG2
-.2
1
16872
15
VAL
HG2
-.2
2
18574
39
VAL
HG2
-.202
2
4925
16
VAL
HG2
-.202
1
18575
39
VAL
HG2
-.202
2
18526
75
VAL
HG2
-.203
2
15720
154
VAL
HG2
-.203
2
7339
154
VAL
HG2
-.203
2
11106
97
VAL
HG2
-.205
1
6507
38
VAL
HG2
-.207
.
15826
64
VAL
HG2
-.209
2
6046
32
VAL
HG2
-.21
2
5475
95
VAL
HG2
-.21
2
16052
82
VAL
HG2
-.211
2
11129
103
VAL
HG2
-.216
1
19023
43
VAL
HG2
-.216
2
16593
160
VAL
HG2
-.22
2
1211
31
VAL
HG2
-.22
1
6973
15
VAL
HG2
-.22
.
17352
54
VAL
HG2
-.223
.
11456
42
VAL
HG2
-.223
1
15249
69
VAL
HG2
-.225
1
17343
114
VAL
HG2
-.226
2
15128
8
VAL
HG2
-.228
2
6345
111
VAL
HG2
-.229
.
5505
41
VAL
HG2
-.23
2
18183
86
VAL
HG2
-.232
2
18540
101
VAL
HG2
-.234
1
16617
106
VAL
HG2
-.234
.
1210
31
VAL
HG2
-.24
1
5567
18
VAL
HG2
-.24
1
4035
68
VAL
HG2
-.24
2
6578
86
VAL
HG2
-.242
2
17523
92
VAL
HG2
-.246
1
16572
78
VAL
HG2
-.249
2
16833
153
VAL
HG2
-.254
1
10327
51
VAL
HG2
-.259
1
18507
70
VAL
HG2
-.26
2
17302
82
VAL
HG2
-.26
1
1212
31
VAL
HG2
-.26
1
7115
154
VAL
HG2
-.26
2
1213
31
VAL
HG2
-.26
1
1216
31
VAL
HG2
-.26
1
4758
4
VAL
HG2
-.26
1
1217
31
VAL
HG2
-.26
1
15133
30
VAL
HG2
-.26
2
11206
99
VAL
HG2
-.261
1
18447
8
VAL
HG2
-.265
1
16379
44
VAL
HG2
-.266
2
6159
30
VAL
HG2
-.27
2
5866
50
VAL
HG2
-.27
2
17343
33
VAL
HG2
-.27
2
15028
79
VAL
HG2
-.273
2
11053
128
VAL
HG2
-.274
2
17277
64
VAL
HG2
-.279
2
4318
93
VAL
HG2
-.28
2
4241
23
VAL
HG2
-.28
1
186
39
VAL
HG2
-.28
1
6075
79
VAL
HG2
-.28
1
6120
31
VAL
HG2
-.28
2
4623
23
VAL
HG2
-.28
1
169
39
VAL
HG2
-.28
1
11507
128
VAL
HG2
-.281
1
6829
69
VAL
HG2
-.284
1
4381
7
VAL
HG2
-.284
2
17289
78
VAL
HG2
-.289
2
11428
105
VAL
HG2
-.29
2
16114
26
VAL
HG2
-.29
.
17175
68
VAL
HG2
-.29
2
5303
6
VAL
HG2
-.29
4
18555
48
VAL
HG2
-.29
1
17579
91
VAL
HG2
-.291
4
10260
78
VAL
HG2
-.292
1
15419
22
VAL
HG2
-.294
2
16446
71
VAL
HG2
-.295
1
7138
167
VAL
HG2
-.297
.
16902
6
VAL
HG2
-.297
4
17578
91
VAL
HG2
-.298
4
18281
24
VAL
HG2
-.3
2
4671
23
VAL
HG2
-.3
2
5490
23
VAL
HG2
-.3
2
17300
20
VAL
HG2
-.3
1
1214
31
VAL
HG2
-.31
1
1215
31
VAL
HG2
-.31
1
17299
20
VAL
HG2
-.316
1
5885
33
VAL
HG2
-.3185
2
5971
33
VAL
HG2
-.321
2
6563
79
VAL
HG2
-.324
2
17551
40
VAL
HG2
-.327
2
5946
49
VAL
HG2
-.328
2
15871
10
VAL
HG2
-.329
4
18357
32
VAL
HG2
-.329
4
16727
32
VAL
HG2
-.329
4
6869
99
VAL
HG2
-.33
1
5299
189
VAL
HG2
-.33
1
15431
104
VAL
HG2
-.33
1
6800
33
VAL
HG2
-.332
2
11229
28
VAL
HG2
-.338
1
10042
49
VAL
HG2
-.34
1
5455
69
VAL
HG2
-.34
2
15034
32
VAL
HG2
-.34
1
15452
114
VAL
HG2
-.34
2
7004
19
VAL
HG2
-.34
1
19108
166
VAL
HG2
-.341
.
5316
158
VAL
HG2
-.342
2
15318
28
VAL
HG2
-.344
2
11366
56
VAL
HG2
-.344
1
18531
54
VAL
HG2
-.35
2
17524
131
VAL
HG2
-.356
2
18575
62
VAL
HG2
-.36
2
15127
77
VAL
HG2
-.36
2
16819
32
VAL
HG2
-.367
4
16100
39
VAL
HG2
-.367
2
18358
32
VAL
HG2
-.367
4
15893
78
VAL
HG2
-.368
.
6960
39
VAL
HG2
-.369
.
5583
51
VAL
HG2
-.37
1
5504
89
VAL
HG2
-.37
1
18574
62
VAL
HG2
-.37
2
16157
33
VAL
HG2
-.374
2
7231
88
VAL
HG2
-.374
2
15893
75
VAL
HG2
-.375
.
6201
78
VAL
HG2
-.378
2
11357
24
VAL
HG2
-.379
1
16155
95
VAL
HG2
-.38
2
16231
19
VAL
HG2
-.382
1
4109
79
VAL
HG2
-.383
2
5099
69
VAL
HG2
-.39
1
15127
77
VAL
HG2
-.39
2
1702
11
VAL
HG2
-.39
1
185
39
VAL
HG2
-.39
1
18292
71
VAL
HG2
-.397
.
5628
151
VAL
HG2
-.4
2
15851
94
VAL
HG2
-.4
2
17485
71
VAL
HG2
-.4
2
17304
58
VAL
HG2
-.402
2
17521
49
VAL
HG2
-.405
1
6800
92
VAL
HG2
-.407
2
5971
92
VAL
HG2
-.408
2
4673
40
VAL
HG2
-.41
2
7271
148
VAL
HG2
-.414
2
15981
138
VAL
HG2
-.414
2
18507
31
VAL
HG2
-.416
2
4109
79
VAL
HG2
-.42
2
15684
68
VAL
HG2
-.421
.
15989
16
VAL
HG2
-.424
2
17738
28
VAL
HG2
-.428
.
4109
79
VAL
HG2
-.429
2
15491
25
VAL
HG2
-.429
1
5517
22
VAL
HG2
-.44
1
15134
44
VAL
HG2
-.44
2
16679
147
VAL
HG2
-.444
2
5942
93
VAL
HG2
-.445
1
10075
91
VAL
HG2
-.45
1
7220
54
VAL
HG2
-.453
2
11402
37
VAL
HG2
-.459
1
6015
49
VAL
HG2
-.46
2
10262
78
VAL
HG2
-.46
1
17368
92
VAL
HG2
-.465
2
6727
28
VAL
HG2
-.465
2
6012
21
VAL
HG2
-.467
1
5605
23
VAL
HG2
-.47
2
6988
60
VAL
HG2
-.472
2
5115
11
VAL
HG2
-.48
1
10069
56
VAL
HG2
-.481
1
6724
113
VAL
HG2
-.487
.
6901
122
VAL
HG2
-.495
2
4938
109
VAL
HG2
-.5
2
11153
62
VAL
HG2
-.502
1
17289
94
VAL
HG2
-.503
2
6717
71
VAL
HG2
-.505
1
7231
132
VAL
HG2
-.506
2
6401
59
VAL
HG2
-.511
2
5623
97
VAL
HG2
-.511
1
16007
117
VAL
HG2
-.512
2
17160
131
VAL
HG2
-.52
1
6269
101
VAL
HG2
-.52
2
6321
58
VAL
HG2
-.525
1
6869
30
VAL
HG2
-.54
1
5222
64
VAL
HG2
-.54
2
11081
53
VAL
HG2
-.541
1
7019
58
VAL
HG2
-.542
2
5042
56
VAL
HG2
-.55
2
11203
32
VAL
HG2
-.568
1
17039
44
VAL
HG2
-.58
1
7271
92
VAL
HG2
-.581
2
6578
95
VAL
HG2
-.582
2
16117
54
VAL
HG2
-.588
2
5679
56
VAL
HG2
-.59
1
15702
46
VAL
HG2
-.59
1
17245
60
VAL
HG2
-.592
2
4155
58
VAL
HG2
-.6
1
6705
107
VAL
HG2
-.608
.
18186
29
VAL
HG2
-.613
2
5475
29
VAL
HG2
-.62
2
5132
54
VAL
HG2
-.622
.
18053
88
VAL
HG2
-.624
2
17840
54
VAL
HG2
-.63
2
6279
103
VAL
HG2
-.648
2
6120
21
VAL
HG2
-.65
1
17160
4
VAL
HG2
-.66
1
5224
25
VAL
HG2
-.67
2
18422
120
VAL
HG2
-.67
2
18152
47
VAL
HG2
-.676
2
18850
29
VAL
HG2
-.68
2
18045
9
VAL
HG2
-.68
1
10075
78
VAL
HG2
-.684
1
17841
54
VAL
HG2
-.688
2
15537
54
VAL
HG2
-.689
2
6885
67
VAL
HG2
-.7
2
16347
77
VAL
HG2
-.7
2
5073
59
VAL
HG2
-.708
.
7024
59
VAL
HG2
-.708
.
5880
65
VAL
HG2
-.715
1
15057
71
VAL
HG2
-.728
1
18422
24
VAL
HG2
-.73
2
7256
72
VAL
HG2
-.74
2
10253
14
VAL
HG2
-.756
1
17358
25
VAL
HG2
-.77
2
17711
100
VAL
HG2
-.7728
1
18053
36
VAL
HG2
-.776
2
18125
40
VAL
HG2
-.78
2
11036
142
VAL
HG2
-.795
2
18792
99
VAL
HG2
-.818
1
16803
58
VAL
HG2
-.82
4
17827
42
VAL
HG2
-.87
1
6761
26
VAL
HG2
-.88
2
17957
88
VAL
HG2
-.88
2
16163
39
VAL
HG2
-.886
1
18125
69
VAL
HG2
-.9
2
6679
54
VAL
HG2
-.929
1
15469
21
VAL
HG2
-.934
2
15618
7
VAL
HG2
-.947
2
6090
30
VAL
HG2
-1.013
1
11388
60
VAL
HG2
-1.173
1
16442
101
VAL
HG2
-1.19
.
5061
65
VAL
HG2
-1.24
2
5748
68
VAL
HG2
-1.3
2
7054
46
VAL
HG2
-1.36
1
6960
81
VAL
HG2
-1.498
.
363
68
VAL
HG2
-1.98
1
1205
68
VAL
HG2
-2.32
1