VAL HG1 Chemical Shift Outliers

___________________________________________________
VAL HG1 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
35552
0.825
-1.128
2.573
0.257


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
27677
192
VAL
HG1
1.655
2
16139
81
VAL
HG1
1.66
.
25832
145
VAL
HG1
1.664
1
30247
61
VAL
HG1
1.664
.
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
1102
67
VAL
HG1
1.83
2
19984
28
VAL
HG1
1.83
1
5294
126
VAL
HG1
1.83
2
19906
4
VAL
HG1
1.86
1
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
5344
64
VAL
HG1
2.01
2
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
30456
46
VAL
HG1
-.003
1
17202
75
VAL
HG1
-.004
2
18994
30
VAL
HG1
-.005
2
34024
30
VAL
HG1
-.005
.
11211
81
VAL
HG1
-.005
1
11081
53
VAL
HG1
-.006
1
36060
26
VAL
HG1
-.006
.
27017
108
VAL
HG1
-.006
2
10069
56
VAL
HG1
-.007
1
15295
93
VAL
HG1
-.008
2
16406
33
VAL
HG1
-.01
2
5821
106
VAL
HG1
-.01
2
27078
26
VAL
HG1
-.01
1
5823
106
VAL
HG1
-.01
2
6947
57
VAL
HG1
-.01
2
15702
46
VAL
HG1
-.01
1
16708
64
VAL
HG1
-.01
1
5792
63
VAL
HG1
-.01
2
6913
64
VAL
HG1
-.01
2
17352
54
VAL
HG1
-.012
.
34259
64
VAL
HG1
-.014
.
11531
37
VAL
HG1
-.017
.
6439
107
VAL
HG1
-.017
2
17028
28
VAL
HG1
-.018
4
17031
56
VAL
HG1
-.02
1
7054
46
VAL
HG1
-.02
1
4793
94
VAL
HG1
-.02
1
5565
74
VAL
HG1
-.02
2
15702
41
VAL
HG1
-.02
1
363
68
VAL
HG1
-.02
1
15627
81
VAL
HG1
-.02
2
5786
69
VAL
HG1
-.02
1
15900
9
VAL
HG1
-.02
2
16266
53
VAL
HG1
-.021
2
17864
30
VAL
HG1
-.021
2
19642
59
VAL
HG1
-.022
.
7138
167
VAL
HG1
-.022
.
18250
87
VAL
HG1
-.023
2
17319
35
VAL
HG1
-.023
2
19172
91
VAL
HG1
-.02307
1
19117
67
VAL
HG1
-.025
2
27151
37
VAL
HG1
-.027
2
18883
27
VAL
HG1
-.027
.
19516
28
VAL
HG1
-.027
1
36018
62
VAL
HG1
-.028
2
16902
309
VAL
HG1
-.028
4
25432
57
VAL
HG1
-.029
1
4893
18
VAL
HG1
-.03
1
5178
68
VAL
HG1
-.03
1
15433
83
VAL
HG1
-.03
0
4466
76
VAL
HG1
-.03
2
7109
69
VAL
HG1
-.03
2
4117
28
VAL
HG1
-.03
2
18989
24
VAL
HG1
-.03
2
36133
91
VAL
HG1
-.03
1
15434
83
VAL
HG1
-.03
.
34219
115
VAL
HG1
-.031
2
25242
31
VAL
HG1
-.032
2
27666
75
VAL
HG1
-.034
2
4466
68
VAL
HG1
-.035
2
6936
52
VAL
HG1
-.036
2
25242
31
VAL
HG1
-.037
2
6726
111
VAL
HG1
-.037
2
16058
228
VAL
HG1
-.038
2
6615
80
VAL
HG1
-.04
1
19554
171
VAL
HG1
-.04
2
6910
92
VAL
HG1
-.04
1
6366
57
VAL
HG1
-.04
2
4825
18
VAL
HG1
-.04
1
11232
88
VAL
HG1
-.042
1
27477
35
VAL
HG1
-.045
2
19290
55
VAL
HG1
-.047
1
6055
162
VAL
HG1
-.05
2
16377
17
VAL
HG1
-.05
1
6840
103
VAL
HG1
-.05
1
15491
25
VAL
HG1
-.05
1
18193
41
VAL
HG1
-.052
2
18187
37
VAL
HG1
-.055
2
30401
162
VAL
HG1
-.056
.
10312
85
VAL
HG1
-.056
1
18793
118
VAL
HG1
-.058
2
18013
74
VAL
HG1
-.058
2
15679
39
VAL
HG1
-.059
2
5659
115
VAL
HG1
-.06
2
17768
130
VAL
HG1
-.06
2
5162
13
VAL
HG1
-.06
2
15642
108
VAL
HG1
-.06
2
15569
25
VAL
HG1
-.06
1
4414
41
VAL
HG1
-.06
2
16260
73
VAL
HG1
-.061
2
6930
54
VAL
HG1
-.064
2
27786
99
VAL
HG1
-.065
2
27786
99
VAL
HG1
-.067
2
30220
54
VAL
HG1
-.07
2
5820
173
VAL
HG1
-.07
.
17268
77
VAL
HG1
-.07
2
7138
17
VAL
HG1
-.07
.
30220
54
VAL
HG1
-.07
2
16840
54
VAL
HG1
-.071
2
18574
39
VAL
HG1
-.071
2
19198
17
VAL
HG1
-.071
2
27786
99
VAL
HG1
-.072
2
17950
20
VAL
HG1
-.072
.
27786
99
VAL
HG1
-.072
2
34167
32
VAL
HG1
-.073
2
18464
144
VAL
HG1
-.073
2
16715
174
VAL
HG1
-.074
2
16738
174
VAL
HG1
-.074
2
18575
39
VAL
HG1
-.075
2
27786
99
VAL
HG1
-.078
2
11036
142
VAL
HG1
-.078
2
4919
38
VAL
HG1
-.08
1
18094
84
VAL
HG1
-.08
2
4206
120
VAL
HG1
-.08
2
6015
49
VAL
HG1
-.081
2
18613
147
VAL
HG1
-.083
2
11142
69
VAL
HG1
-.084
1
17988
27
VAL
HG1
-.084
2
25700
62
VAL
HG1
-.085
.
25175
37
VAL
HG1
-.085
2
19711
44
VAL
HG1
-.085
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
19413
44
VAL
HG1
-.097
1
30331
218
VAL
HG1
-.098
2
17002
21
VAL
HG1
-.099
2
6012
37
VAL
HG1
-.1
1
6645
121
VAL
HG1
-.1
2
4098
83
VAL
HG1
-.1
2
5998
13
VAL
HG1
-.1
2
15854
82
VAL
HG1
-.1
2
17988
57
VAL
HG1
-.101
2
15604
34
VAL
HG1
-.102
1
15684
18
VAL
HG1
-.102
.
25645
19
VAL
HG1
-.103
2
16061
16
VAL
HG1
-.105
2
25432
136
VAL
HG1
-.107
1
15245
10
VAL
HG1
-.109
2
5688
13
VAL
HG1
-.11
2
5688
13
VAL
HG1
-.11
2
30537
52
VAL
HG1
-.11
1
5688
13
VAL
HG1
-.11
2
5688
13
VAL
HG1
-.11
2
17703
55
VAL
HG1
-.11
1
18183
86
VAL
HG1
-.113
2
15429
83
VAL
HG1
-.114
1
5073
40
VAL
HG1
-.114
.
18277
39
VAL
HG1
-.115
.
15644
45
VAL
HG1
-.119
2
15610
28
VAL
HG1
-.12
2
19776
135
VAL
HG1
-.12
.
6046
32
VAL
HG1
-.12
2
5606
110
VAL
HG1
-.12
1
11145
21
VAL
HG1
-.121
1
6922
56
VAL
HG1
-.122
1
26923
135
VAL
HG1
-.123
.
19195
70
VAL
HG1
-.124
2
19095
68
VAL
HG1
-.126
2
15942
56
VAL
HG1
-.128
1
18628
53
VAL
HG1
-.129
2
5628
151
VAL
HG1
-.13
2
6787
52
VAL
HG1
-.13
2
18
34
VAL
HG1
-.13
1
19464
43
VAL
HG1
-.13
2
4052
74
VAL
HG1
-.13
.
10241
20
VAL
HG1
-.13
1
16902
6
VAL
HG1
-.133
4
25175
8
VAL
HG1
-.134
2
10280
10
VAL
HG1
-.137
1
17389
44
VAL
HG1
-.138
2
25102
33
VAL
HG1
-.139
1
27030
62
VAL
HG1
-.139
2
16585
74
VAL
HG1
-.14
2
27249
199
VAL
HG1
-.14
.
11342
43
VAL
HG1
-.14
1
5072
10
VAL
HG1
-.14
2
27411
90
VAL
HG1
-.14
1
17830
119
VAL
HG1
-.14
2
25048
20
VAL
HG1
-.14
1
19936
280
VAL
HG1
-.141
2
19930
280
VAL
HG1
-.141
2
25109
71
VAL
HG1
-.143
2
19934
280
VAL
HG1
-.144
2
18629
125
VAL
HG1
-.145
2
25728
86
VAL
HG1
-.148
.
10081
40
VAL
HG1
-.149
1
7271
148
VAL
HG1
-.15
2
19971
106
VAL
HG1
-.151
2
7118
4
VAL
HG1
-.151
.
30223
54
VAL
HG1
-.152
2
30222
54
VAL
HG1
-.152
2
6693
86
VAL
HG1
-.152
1
19404
104
VAL
HG1
-.154
2
11086
94
VAL
HG1
-.155
1
11183
95
VAL
HG1
-.156
1
25148
58
VAL
HG1
-.156
2
30246
132
VAL
HG1
-.158
.
11457
94
VAL
HG1
-.158
1
5623
97
VAL
HG1
-.159
1
7053
47
VAL
HG1
-.16
2
7013
86
VAL
HG1
-.16
2
18887
80
VAL
HG1
-.16
.
27148
49
VAL
HG1
-.161
2
19082
130
VAL
HG1
-.163
2
5946
49
VAL
HG1
-.163
2
27271
29
VAL
HG1
-.163
1
18758
48
VAL
HG1
-.164
1
18496
30
VAL
HG1
-.165
1
25728
53
VAL
HG1
-.166
.
26518
19
VAL
HG1
-.166
2
16103
35
VAL
HG1
-.166
1
25244
68
VAL
HG1
-.167
2
10239
177
VAL
HG1
-.167
1
30155
68
VAL
HG1
-.167
2
25979
19
VAL
HG1
-.169
2
10238
168
VAL
HG1
-.169
1
17105
100
VAL
HG1
-.171
2
25028
47
VAL
HG1
-.172
2
10237
122
VAL
HG1
-.173
1
4241
58
VAL
HG1
-.175
1
15279
46
VAL
HG1
-.175
2
10046
47
VAL
HG1
-.176
1
16180
12
VAL
HG1
-.177
2
10236
122
VAL
HG1
-.179
1
6563
79
VAL
HG1
-.179
2
4623
58
VAL
HG1
-.18
1
6283
104
VAL
HG1
-.18
1
11135
63
VAL
HG1
-.181
1
10260
78
VAL
HG1
-.182
1
15315
155
VAL
HG1
-.186
2
16163
88
VAL
HG1
-.187
1
7024
40
VAL
HG1
-.187
.
15661
12
VAL
HG1
-.187
2
16181
12
VAL
HG1
-.187
2
15809
87
VAL
HG1
-.188
1
16671
12
VAL
HG1
-.189
2
16179
12
VAL
HG1
-.189
2
6371
102
VAL
HG1
-.19
1
7004
131
VAL
HG1
-.19
1
27078
102
VAL
HG1
-.19
1
11227
81
VAL
HG1
-.193
1
19109
14
VAL
HG1
-.195
2
5563
63
VAL
HG1
-.199
2
15617
81
VAL
HG1
-.2
2
1891
49
VAL
HG1
-.2
1
18
18
VAL
HG1
-.2
1
25829
116
VAL
HG1
-.2
2
18505
89
VAL
HG1
-.2
2
19083
122
VAL
HG1
-.207
.
25732
60
VAL
HG1
-.208
.
30401
127
VAL
HG1
-.21
.
16347
77
VAL
HG1
-.21
2
6315
89
VAL
HG1
-.21
2
25702
69
VAL
HG1
-.21
2
19842
103
VAL
HG1
-.212
2
15408
55
VAL
HG1
-.214
4
30326
89
VAL
HG1
-.215
1
19777
135
VAL
HG1
-.216
.
16157
33
VAL
HG1
-.216
2
18469
30
VAL
HG1
-.22
1
11086
68
VAL
HG1
-.22
1
1211
31
VAL
HG1
-.22
1
5038
141
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
27536
16
VAL
HG1
-.23
1
16679
147
VAL
HG1
-.233
2
16372
26
VAL
HG1
-.234
2
6603
67
VAL
HG1
-.235
2
25983
28
VAL
HG1
-.235
.
19885
122
VAL
HG1
-.236
.
4293
57
VAL
HG1
-.24
2
1210
31
VAL
HG1
-.24
1
15684
68
VAL
HG1
-.241
.
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
10235
122
VAL
HG1
-.256
1
6960
81
VAL
HG1
-.257
.
11010
101
VAL
HG1
-.257
1
11010
168
VAL
HG1
-.259
1
1212
31
VAL
HG1
-.26
1
1216
31
VAL
HG1
-.26
1
1217
31
VAL
HG1
-.26
1
6075
79
VAL
HG1
-.26
1
6840
110
VAL
HG1
-.26
1
1213
31
VAL
HG1
-.26
1
15931
42
VAL
HG1
-.261
2
11095
55
VAL
HG1
-.262
1
16902
154
VAL
HG1
-.263
4
19229
32
VAL
HG1
-.264
2
11104
21
VAL
HG1
-.266
1
18053
88
VAL
HG1
-.269
2
7220
54
VAL
HG1
-.269
2
6769
77
VAL
HG1
-.278
1
27687
23
VAL
HG1
-.279
2
6093
67
VAL
HG1
-.279
1
5814
19
VAL
HG1
-.28
1
25391
14
VAL
HG1
-.28
2
17995
99
VAL
HG1
-.28
2
25968
23
VAL
HG1
-.28563
1
6138
40
VAL
HG1
-.286
2
11029
52
VAL
HG1
-.288
2
25893
79
VAL
HG1
-.288
2
6364
100
VAL
HG1
-.29
1
5524
25
VAL
HG1
-.29
2
4900
24
VAL
HG1
-.29
2
25649
40
VAL
HG1
-.291
2
5047
44
VAL
HG1
-.291
1
5798
38
VAL
HG1
-.294
2
30085
131
VAL
HG1
-.295
2
30086
131
VAL
HG1
-.295
2
30083
131
VAL
HG1
-.295
2
30082
131
VAL
HG1
-.295
2
30084
131
VAL
HG1
-.295
2
30080
131
VAL
HG1
-.295
2
30081
131
VAL
HG1
-.295
2
25139
42
VAL
HG1
-.297
1
25139
42
VAL
HG1
-.297
1
11152
90
VAL
HG1
-.298
1
17737
58
VAL
HG1
-.298
2
11124
126
VAL
HG1
-.298
1
15034
32
VAL
HG1
-.3
1
25137
8
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