VAL HG1 Chemical Shift Outliers

___________________________________________________
VAL HG1 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
25297
0.827
-1.128
2.573
0.258


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
15867
62
VAL
HG1
1.61
1
2281
50
VAL
HG1
1.62
2
15061
29
VAL
HG1
1.628
2
16772
124
VAL
HG1
1.633
2
6728
93
VAL
HG1
1.654
2
16139
81
VAL
HG1
1.66
.
17866
14
VAL
HG1
1.67
2
1101
62
VAL
HG1
1.69
2
15296
55
VAL
HG1
1.7
1
1135
6
VAL
HG1
1.71
1
11299
46
VAL
HG1
1.717
1
1181
62
VAL
HG1
1.72
2
1182
62
VAL
HG1
1.72
2
11298
54
VAL
HG1
1.728
1
11298
38
VAL
HG1
1.758
1
11298
41
VAL
HG1
1.798
1
5734
3
VAL
HG1
1.8
1
7360
86
VAL
HG1
1.802
1
11299
55
VAL
HG1
1.817
1
5294
126
VAL
HG1
1.83
2
1102
67
VAL
HG1
1.83
2
1184
67
VAL
HG1
1.87
2
5982
33
VAL
HG1
1.87
.
5982
84
VAL
HG1
1.87
.
11298
28
VAL
HG1
1.899
1
10019
17
VAL
HG1
1.951
2
18905
5
VAL
HG1
1.966
.
5489
6
VAL
HG1
1.979
4
4972
6
VAL
HG1
2.05
2
6237
10
VAL
HG1
2.139
1
823
68
VAL
HG1
2.31
2
5765
12
VAL
HG1
2.56
2
16305
124
VAL
HG1
2.573
2


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
5122
102
VAL
HG1
-.001
1
6515
117
VAL
HG1
-.003
2
17202
75
VAL
HG1
-.004
2
11211
81
VAL
HG1
-.005
1
11081
53
VAL
HG1
-.006
1
10069
56
VAL
HG1
-.007
1
15295
93
VAL
HG1
-.008
2
16708
64
VAL
HG1
-.01
1
5792
63
VAL
HG1
-.01
2
5823
106
VAL
HG1
-.01
2
5821
106
VAL
HG1
-.01
2
6913
64
VAL
HG1
-.01
2
16406
33
VAL
HG1
-.01
2
6947
57
VAL
HG1
-.01
2
15702
46
VAL
HG1
-.01
1
17352
54
VAL
HG1
-.012
.
6439
107
VAL
HG1
-.017
2
17028
28
VAL
HG1
-.018
4
15900
9
VAL
HG1
-.02
2
15702
41
VAL
HG1
-.02
1
17031
56
VAL
HG1
-.02
1
363
68
VAL
HG1
-.02
1
4793
94
VAL
HG1
-.02
1
15627
81
VAL
HG1
-.02
2
5565
74
VAL
HG1
-.02
2
7054
46
VAL
HG1
-.02
1
5786
69
VAL
HG1
-.02
1
16266
53
VAL
HG1
-.021
2
17864
30
VAL
HG1
-.021
2
7138
167
VAL
HG1
-.022
.
18250
87
VAL
HG1
-.023
2
17319
35
VAL
HG1
-.023
2
16902
309
VAL
HG1
-.028
4
5178
68
VAL
HG1
-.03
1
4466
76
VAL
HG1
-.03
2
7109
69
VAL
HG1
-.03
2
15433
83
VAL
HG1
-.03
0
15434
83
VAL
HG1
-.03
.
4117
28
VAL
HG1
-.03
2
4893
18
VAL
HG1
-.03
1
4466
68
VAL
HG1
-.035
2
6936
52
VAL
HG1
-.036
2
6726
111
VAL
HG1
-.037
2
16058
228
VAL
HG1
-.038
2
6615
80
VAL
HG1
-.04
1
6366
57
VAL
HG1
-.04
2
4825
18
VAL
HG1
-.04
1
11232
88
VAL
HG1
-.042
1
15491
25
VAL
HG1
-.05
1
6840
103
VAL
HG1
-.05
1
16377
17
VAL
HG1
-.05
1
6055
162
VAL
HG1
-.05
2
18193
41
VAL
HG1
-.052
2
18187
37
VAL
HG1
-.055
2
4931
66
VAL
HG1
-.057
1
18013
74
VAL
HG1
-.058
2
18793
118
VAL
HG1
-.058
2
15679
39
VAL
HG1
-.059
2
5162
13
VAL
HG1
-.06
2
15569
25
VAL
HG1
-.06
1
5659
115
VAL
HG1
-.06
2
15642
108
VAL
HG1
-.06
2
4414
41
VAL
HG1
-.06
2
16260
73
VAL
HG1
-.061
2
6930
54
VAL
HG1
-.064
2
17268
77
VAL
HG1
-.07
2
16315
81
VAL
HG1
-.07
1
7138
17
VAL
HG1
-.07
.
5820
173
VAL
HG1
-.07
.
16840
54
VAL
HG1
-.071
2
19198
17
VAL
HG1
-.071
2
18574
39
VAL
HG1
-.071
2
17950
20
VAL
HG1
-.072
.
18464
144
VAL
HG1
-.073
2
16715
174
VAL
HG1
-.074
2
16738
174
VAL
HG1
-.074
2
18575
39
VAL
HG1
-.075
2
11304
91
VAL
HG1
-.077
1
11036
142
VAL
HG1
-.078
2
18094
84
VAL
HG1
-.08
2
4919
38
VAL
HG1
-.08
1
4206
120
VAL
HG1
-.08
2
6015
49
VAL
HG1
-.081
2
11142
69
VAL
HG1
-.084
1
17988
27
VAL
HG1
-.084
2
6749
52
VAL
HG1
-.085
1
10073
35
VAL
HG1
-.086
1
11309
25
VAL
HG1
-.087
1
6475
38
VAL
HG1
-.089
1
5469
39
VAL
HG1
-.09
2
11507
128
VAL
HG1
-.093
1
19198
46
VAL
HG1
-.093
2
16491
66
VAL
HG1
-.094
2
6585
13
VAL
HG1
-.096
2
17002
21
VAL
HG1
-.099
2
4098
83
VAL
HG1
-.1
2
6012
37
VAL
HG1
-.1
1
5998
13
VAL
HG1
-.1
2
6645
121
VAL
HG1
-.1
2
17988
57
VAL
HG1
-.101
2
15684
18
VAL
HG1
-.102
.
15604
34
VAL
HG1
-.102
1
16061
16
VAL
HG1
-.105
2
15245
10
VAL
HG1
-.109
2
5688
13
VAL
HG1
-.11
2
17703
55
VAL
HG1
-.11
1
5688
13
VAL
HG1
-.11
2
5688
13
VAL
HG1
-.11
2
5688
13
VAL
HG1
-.11
2
18183
86
VAL
HG1
-.113
2
5073
40
VAL
HG1
-.114
.
15429
83
VAL
HG1
-.114
1
18277
39
VAL
HG1
-.115
.
15644
45
VAL
HG1
-.119
2
5606
110
VAL
HG1
-.12
1
6046
32
VAL
HG1
-.12
2
15610
28
VAL
HG1
-.12
2
11145
21
VAL
HG1
-.121
1
6922
56
VAL
HG1
-.122
1
19195
70
VAL
HG1
-.124
2
19095
68
VAL
HG1
-.126
2
15942
56
VAL
HG1
-.128
1
18628
53
VAL
HG1
-.129
2
4052
74
VAL
HG1
-.13
.
6787
52
VAL
HG1
-.13
2
10241
20
VAL
HG1
-.13
1
5628
151
VAL
HG1
-.13
2
18
34
VAL
HG1
-.13
1
16902
6
VAL
HG1
-.133
4
10280
10
VAL
HG1
-.137
1
17389
44
VAL
HG1
-.138
2
17830
119
VAL
HG1
-.14
2
5072
10
VAL
HG1
-.14
2
16585
74
VAL
HG1
-.14
2
11342
43
VAL
HG1
-.14
1
11107
59
VAL
HG1
-.143
1
18629
125
VAL
HG1
-.145
2
10081
40
VAL
HG1
-.149
1
7271
148
VAL
HG1
-.15
2
7118
4
VAL
HG1
-.151
.
6693
86
VAL
HG1
-.152
1
11183
95
VAL
HG1
-.156
1
15578
273
VAL
HG1
-.157
1
11457
94
VAL
HG1
-.158
1
5623
97
VAL
HG1
-.159
1
7013
86
VAL
HG1
-.16
2
7053
47
VAL
HG1
-.16
2
18887
80
VAL
HG1
-.16
.
19082
130
VAL
HG1
-.163
2
5946
49
VAL
HG1
-.163
2
18496
30
VAL
HG1
-.165
1
16103
35
VAL
HG1
-.166
1
10239
177
VAL
HG1
-.167
1
10238
168
VAL
HG1
-.169
1
17105
100
VAL
HG1
-.171
2
10237
122
VAL
HG1
-.173
1
15279
46
VAL
HG1
-.175
2
4241
58
VAL
HG1
-.175
1
10046
47
VAL
HG1
-.176
1
10236
122
VAL
HG1
-.179
1
6563
79
VAL
HG1
-.179
2
6283
104
VAL
HG1
-.18
1
4623
58
VAL
HG1
-.18
1
11135
63
VAL
HG1
-.181
1
10260
78
VAL
HG1
-.182
1
15315
155
VAL
HG1
-.186
2
7024
40
VAL
HG1
-.187
.
16163
88
VAL
HG1
-.187
1
15661
12
VAL
HG1
-.187
2
15809
87
VAL
HG1
-.188
1
7004
131
VAL
HG1
-.19
1
6371
102
VAL
HG1
-.19
1
11227
81
VAL
HG1
-.193
1
5563
63
VAL
HG1
-.199
2
1891
49
VAL
HG1
-.2
1
18
18
VAL
HG1
-.2
1
15617
81
VAL
HG1
-.2
2
18505
89
VAL
HG1
-.2
2
19083
122
VAL
HG1
-.207
.
16347
77
VAL
HG1
-.21
2
6315
89
VAL
HG1
-.21
2
15408
55
VAL
HG1
-.214
4
16157
33
VAL
HG1
-.216
2
18469
30
VAL
HG1
-.22
1
5038
141
VAL
HG1
-.22
1
1211
31
VAL
HG1
-.22
1
16007
22
VAL
HG1
-.221
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
16679
147
VAL
HG1
-.233
2
16372
26
VAL
HG1
-.234
2
6603
67
VAL
HG1
-.235
2
4293
57
VAL
HG1
-.24
2
1210
31
VAL
HG1
-.24
1
15684
68
VAL
HG1
-.241
.
15578
214
VAL
HG1
-.247
1
11184
52
VAL
HG1
-.247
1
16009
46
VAL
HG1
-.247
1
6120
21
VAL
HG1
-.25
1
17521
24
VAL
HG1
-.252
1
10235
122
VAL
HG1
-.256
1
11010
101
VAL
HG1
-.257
1
6960
81
VAL
HG1
-.257
.
11010
168
VAL
HG1
-.259
1
1212
31
VAL
HG1
-.26
1
1213
31
VAL
HG1
-.26
1
6075
79
VAL
HG1
-.26
1
6840
110
VAL
HG1
-.26
1
1216
31
VAL
HG1
-.26
1
1217
31
VAL
HG1
-.26
1
15931
42
VAL
HG1
-.261
2
11095
55
VAL
HG1
-.262
1
16902
154
VAL
HG1
-.263
4
11104
21
VAL
HG1
-.266
1
7220
54
VAL
HG1
-.269
2
18053
88
VAL
HG1
-.269
2
6769
77
VAL
HG1
-.278
1
6093
67
VAL
HG1
-.279
1
17995
99
VAL
HG1
-.28
2
5814
19
VAL
HG1
-.28
1
6138
40
VAL
HG1
-.286
2
11029
52
VAL
HG1
-.288
2
4900
24
VAL
HG1
-.29
2
5524
25
VAL
HG1
-.29
2
6364
100
VAL
HG1
-.29
1
5047
44
VAL
HG1
-.291
1
5798
38
VAL
HG1
-.294
2
11152
90
VAL
HG1
-.298
1
17737
58
VAL
HG1
-.298
2
11124
126
VAL
HG1
-.298
1
15578
328
VAL
HG1
-.299
1
15034
32
VAL
HG1
-.3
1
5535
50
VAL
HG1
-.302
1
11335
43
VAL
HG1
-.303
1
6901
66
VAL
HG1
-.304
2
15809
22
VAL
HG1
-.305
1
11119
92
VAL
HG1
-.306
1
16882
54
VAL
HG1
-.307
2
11096
91
VAL
HG1
-.308
1
6309
29
VAL
HG1
-.31
1
6309
88
VAL
HG1
-.31
1
1214
31
VAL
HG1
-.31
1
1215
31
VAL
HG1
-.31
1
18663
108
VAL
HG1
-.313
2
15057
71
VAL
HG1
-.318
1
11094
55
VAL
HG1
-.319
1
2063
39
VAL
HG1
-.32
1
15578
187
VAL
HG1
-.323
1
6032
101
VAL
HG1
-.33
.
11106
97
VAL
HG1
-.335
1
16472
111
VAL
HG1
-.339
2
16840
56
VAL
HG1
-.345
2
11235
70
VAL
HG1
-.345
1
7127
76
VAL
HG1
-.35
1
17358
25
VAL
HG1
-.35
2
18663
173
VAL
HG1
-.356
2
16444
54
VAL
HG1
-.356
1
5808
62
VAL
HG1
-.357
1
16100
39
VAL
HG1
-.363
2
6604
84
VAL
HG1
-.366
2
6609
92
VAL
HG1
-.373
2
6620
86
VAL
HG1
-.374
2
1202
17
VAL
HG1
-.38
1
6726
99
VAL
HG1
-.38
2
6280
281
VAL
HG1
-.3811
2
6724
113
VAL
HG1
-.382
.
15028
79
VAL
HG1
-.384
2
5398
7
VAL
HG1
-.3879
2
6503
84
VAL
HG1
-.391
2
5628
138
VAL
HG1
-.4
2
17809
91
VAL
HG1
-.4
1
10119
59
VAL
HG1
-.401
1
16872
16
VAL
HG1
-.407
2
17268
21
VAL
HG1
-.414
2
18282
58
VAL
HG1
-.4147
2
10028
31
VAL
HG1
-.419
1
10080
100
VAL
HG1
-.422
1
18047
67
VAL
HG1
-.422
1
18358
32
VAL
HG1
-.423
4
16819
32
VAL
HG1
-.423
4
18663
149
VAL
HG1
-.429
2
16007
117
VAL
HG1
-.429
2
19044
63
VAL
HG1
-.43
2
5794
149
VAL
HG1
-.43
2
17242
21
VAL
HG1
-.438
.
4727
21
VAL
HG1
-.44
1
11232
86
VAL
HG1
-.442
1
16186
30
VAL
HG1
-.45
2
16958
54
VAL
HG1
-.45
2
16881
120
VAL
HG1
-.45
1
18422
24
VAL
HG1
-.46
2
4849
114
VAL
HG1
-.46
2
4849
135
VAL
HG1
-.46
2
6903
6
VAL
HG1
-.464
1
1205
17
VAL
HG1
-.47
1
11327
36
VAL
HG1
-.471
1
17369
92
VAL
HG1
-.475
2
4919
130
VAL
HG1
-.476
1
5968
42
VAL
HG1
-.48
1
6322
58
VAL
HG1
-.49
1
18734
74
VAL
HG1
-.492
1
11092
69
VAL
HG1
-.495
1
18390
64
VAL
HG1
-.499
1
5250
41
VAL
HG1
-.5
2
4686
59
VAL
HG1
-.5
2
15110
55
VAL
HG1
-.506
2
6620
130
VAL
HG1
-.518
2
11181
89
VAL
HG1
-.519
1
1702
11
VAL
HG1
-.52
1
6280
54
VAL
HG1
-.5207
2
16970
55
VAL
HG1
-.541
2
6400
59
VAL
HG1
-.542
2
6726
113
VAL
HG1
-.55
2
17799
103
VAL
HG1
-.55
2
6904
6
VAL
HG1
-.55
1
15100
96
VAL
HG1
-.55
1
17588
69
VAL
HG1
-.562
2
15664
78
VAL
HG1
-.57
1
16365
30
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
10271
77
VAL
HG1
-.578
1
18419
88
VAL
HG1
-.58
2
18793
89
VAL
HG1
-.582
2
16572
78
VAL
HG1
-.585
2
5679
56
VAL
HG1
-.59
1
5623
19
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
18422
120
VAL
HG1
-.62
2
7115
176
VAL
HG1
-.62
2
7013
94
VAL
HG1
-.62
2
5393
102
VAL
HG1
-.636
2
4703
56
VAL
HG1
-.64
2
5820
78
VAL
HG1
-.647
.
18250
95
VAL
HG1
-.657
2
17448
31
VAL
HG1
-.66
2
4282
72
VAL
HG1
-.66
2
10253
14
VAL
HG1
-.667
1
5807
85
VAL
HG1
-.69
2
18793
98
VAL
HG1
-.693
2
16007
61
VAL
HG1
-.697
2
17806
81
VAL
HG1
-.711
.
6607
55
VAL
HG1
-.75
2
7286
38
VAL
HG1
-.755
2
4914
59
VAL
HG1
-.78
1
4852
62
VAL
HG1
-.79
1
16992
61
VAL
HG1
-.794
1
7204
121
VAL
HG1
-.799
2
6693
124
VAL
HG1
-.802
1
15702
142
VAL
HG1
-.83
1
6936
32
VAL
HG1
-.907
2
16613
7
VAL
HG1
-.937
1
5623
64
VAL
HG1
-.952
1
18186
29
VAL
HG1
-.993
2
17683
28
VAL
HG1
-1.06
2
16348
82
VAL
HG1
-1.12
2
11507
158
VAL
HG1
-1.128
1
16491
33
VAL
HG1
.001
2
16260
17
VAL
HG1
.001
2
6955
46
VAL
HG1
.002
1
11229
28
VAL
HG1
.002
1
19241
55
VAL
HG1
.003
1
15568
74
VAL
HG1
.004
1
15627
28
VAL
HG1
.004
2
5121
103
VAL
HG1
.005
1
18530
19
VAL
HG1
.006
2
17279
61
VAL
HG1
.006
2
18792
91
VAL
HG1
.007
1
17508
68
VAL
HG1
.007
2
10109
99
VAL
HG1
.007
1
11211
38
VAL
HG1
.009
1
18517
35
VAL
HG1
.01
1
15133
30
VAL
HG1
.01
2
15782
32
VAL
HG1
.01
2
18887
69
VAL
HG1
.01
.
2006
67
VAL
HG1
.01
2
7108
69
VAL
HG1
.01
2
6475
64
VAL
HG1
.011
1
19033
53
VAL
HG1
.013
.
16713
56
VAL
HG1
.014
1
18628
117
VAL
HG1
.018
2
16934
128
VAL
HG1
.018
1
16712
56
VAL
HG1
.02
1
42
41
VAL
HG1
.02
2
11153
62
VAL
HG1
.02
1
1374
23
VAL
HG1
.02
2
289
18
VAL
HG1
.02
2
6885
67
VAL
HG1
.02
2
15243
73
VAL
HG1
.02
2
4318
48
VAL
HG1
.02
2
220
20
VAL
HG1
.02
2
5953
57
VAL
HG1
.02
2
7366
71
VAL
HG1
.02
2
17304
58
VAL
HG1
.021
2
15871
10
VAL
HG1
.021
4
10080
78
VAL
HG1
.022
1
7383
43
VAL
HG1
.0251
.
15893
78
VAL
HG1
.026
.
4384
210
VAL
HG1
.026
1
11263
68
VAL
HG1
.027
1
4234
21
VAL
HG1
.028
2
4233
33
VAL
HG1
.0287
2
16320
19
VAL
HG1
.03
2
17736
127
VAL
HG1
.03
1
4414
29
VAL
HG1
.03
1
16216
8
VAL
HG1
.03
2
4297
103
VAL
HG1
.03
1
4857
97
VAL
HG1
.03
1
15720
154
VAL
HG1
.031
2
7339
154
VAL
HG1
.031
2
19014
21
VAL
HG1
.032
2
6346
101
VAL
HG1
.034
4
15618
7
VAL
HG1
.035
2
17112
55
VAL
HG1
.0363
2
16007
119
VAL
HG1
.038
2
15485
70
VAL
HG1
.038
.
11137
63
VAL
HG1
.039
1
15253
82
VAL
HG1
.04
1
18653
136
VAL
HG1
.04
1
5099
69
VAL
HG1
.04
1
16372
33
VAL
HG1
.041
2
16613
89
VAL
HG1
.041
2
19240
55
VAL
HG1
.042
1
19169
109
VAL
HG1
.043
2
5836
55
VAL
HG1
.043
1
17113
31
VAL
HG1
.04389
2
16675
78
VAL
HG1
.044
.
5758
28
VAL
HG1
.044
1
10138
74
VAL
HG1
.044
1
18419
71
VAL
HG1
.048
2
15469
21
VAL
HG1
.048
2
16561
53
VAL
HG1
.049
1
4670
8
VAL
HG1
.05
.
6084
27
VAL
HG1
.05
2
15646
66
VAL
HG1
.05
1
7108
84
VAL
HG1
.05
2
11450
72
VAL
HG1
.051
1
15092
85
VAL
HG1
.051
1
7109
84
VAL
HG1
.051
2
1181
17
VAL
HG1
0
2
6580
93
VAL
HG1
0
2
6339
95
VAL
HG1
0
2