VAL HG2 Chemical Shift Outliers

___________________________________________________
VAL HG2 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
34771
0.804
-2.32
3.32
0.276


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
11299
46
VAL
HG2
1.635
1
5627
78
VAL
HG2
1.64
2
5294
126
VAL
HG2
1.65
2
5833
31
VAL
HG2
1.66
2
25832
145
VAL
HG2
1.664
1
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
5982
84
VAL
HG2
1.74
.
4972
6
VAL
HG2
1.74
2
17526
133
VAL
HG2
1.773
2
19906
4
VAL
HG2
1.79
1
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
.
27608
53
VAL
HG2
1.853
.
4893
58
VAL
HG2
1.86
1
1183
67
VAL
HG2
1.87
2
5710
58
VAL
HG2
1.875
2
26961
77
VAL
HG2
1.99
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
4265
170
VAL
HG2
3.32
2


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
6899
62
VAL
HG2
-.026
1
19241
55
VAL
HG2
-.028
1
27146
42
VAL
HG2
-.03
2
16732
90
VAL
HG2
-.03
1
16733
22
VAL
HG2
-.03
1
6047
162
VAL
HG2
-.03
2
5178
68
VAL
HG2
-.03
1
5842
47
VAL
HG2
-.03
1
19053
71
VAL
HG2
-.03
1
15303
75
VAL
HG2
-.03
2
16374
43
VAL
HG2
-.03
2
11348
51
VAL
HG2
-.031
1
19439
29
VAL
HG2
-.031
2
15038
40
VAL
HG2
-.031
2
16260
39
VAL
HG2
-.033
2
16999
26
VAL
HG2
-.033
1
18047
67
VAL
HG2
-.034
1
10274
78
VAL
HG2
-.034
1
6727
63
VAL
HG2
-.034
2
10039
35
VAL
HG2
-.035
1
4159
22
VAL
HG2
-.035
2
15554
9
VAL
HG2
-.035
2
19960
39
VAL
HG2
-.037
2
7033
8
VAL
HG2
-.037
2
17139
121
VAL
HG2
-.038
2
18792
119
VAL
HG2
-.038
1
19290
55
VAL
HG2
-.039
1
1205
17
VAL
HG2
-.04
1
25449
57
VAL
HG2
-.04
1
7226
47
VAL
HG2
-.04
2
6910
41
VAL
HG2
-.04
1
16555
38
VAL
HG2
-.04
2
6912
69
VAL
HG2
-.04
2
15038
74
VAL
HG2
-.04
2
4952
51
VAL
HG2
-.04
2
5786
117
VAL
HG2
-.04
1
15247
85
VAL
HG2
-.041
2
15424
77
VAL
HG2
-.041
2
17551
83
VAL
HG2
-.041
2
6079
58
VAL
HG2
-.041
1
15720
117
VAL
HG2
-.042
2
7339
117
VAL
HG2
-.042
2
25512
34
VAL
HG2
-.042
2
11029
52
VAL
HG2
-.043
2
11265
50
VAL
HG2
-.044
1
17902
104
VAL
HG2
-.045
1
17242
77
VAL
HG2
-.046
.
26923
130
VAL
HG2
-.046
.
17030
60
VAL
HG2
-.046
1
11294
75
VAL
HG2
-.048
1
36111
40
VAL
HG2
-.049
.
4019
3
VAL
HG2
-.05
2
16347
139
VAL
HG2
-.05
2
19229
32
VAL
HG2
-.05
2
4318
26
VAL
HG2
-.05
2
6840
103
VAL
HG2
-.05
1
4840
68
VAL
HG2
-.05
2
19413
63
VAL
HG2
-.05
1
17510
46
VAL
HG2
-.053
1
25870
68
VAL
HG2
-.054
2
16100
91
VAL
HG2
-.054
2
16442
30
VAL
HG2
-.054
.
6339
95
VAL
HG2
-.054
2
10080
100
VAL
HG2
-.056
1
11575
73
VAL
HG2
-.057
2
16370
90
VAL
HG2
-.057
1
19164
13
VAL
HG2
-.058
1
34325
18
VAL
HG2
-.058
4
11353
20
VAL
HG2
-.059
1
15935
37
VAL
HG2
-.059
2
4091
96
VAL
HG2
-.06
2
5505
29
VAL
HG2
-.06
2
17838
90
VAL
HG2
-.06
2
17418
60
VAL
HG2
-.06
.
15139
31
VAL
HG2
-.06
1
6364
100
VAL
HG2
-.06
1
25138
118
VAL
HG2
-.06
1
4879
29
VAL
HG2
-.06
2
6973
101
VAL
HG2
-.06
.
19625
107
VAL
HG2
-.06
2
7167
90
VAL
HG2
-.06
2
27631
247
VAL
HG2
-.06
.
5048
87
VAL
HG2
-.06
1
30537
43
VAL
HG2
-.06
1
36103
29
VAL
HG2
-.06
1
11250
59
VAL
HG2
-.061
2
4371
18
VAL
HG2
-.063
.
26986
69
VAL
HG2
-.063
2
18917
57
VAL
HG2
-.064
2
17683
28
VAL
HG2
-.065
2
10266
81
VAL
HG2
-.065
1
15334
48
VAL
HG2
-.066
2
6578
115
VAL
HG2
-.066
2
17826
100
VAL
HG2
-.068
2
19558
79
VAL
HG2
-.069
2
15570
25
VAL
HG2
-.07
2
6079
31
VAL
HG2
-.07
1
16593
76
VAL
HG2
-.07
2
34120
21
VAL
HG2
-.07
2
7019
45
VAL
HG2
-.07
2
5078
21
VAL
HG2
-.07
2
27078
26
VAL
HG2
-.07
1
6315
89
VAL
HG2
-.07
2
15679
39
VAL
HG2
-.072
2
19252
62
VAL
HG2
-.073
1
11531
67
VAL
HG2
-.073
.
27249
231
VAL
HG2
-.074
.
18332
83
VAL
HG2
-.074
2
27631
231
VAL
HG2
-.077
.
16840
56
VAL
HG2
-.077
2
18778
15
VAL
HG2
-.078
1
15851
78
VAL
HG2
-.078
2
36097
82
VAL
HG2
-.078
.
15632
57
VAL
HG2
-.079
2
10057
43
VAL
HG2
-.079
1
6004
11
VAL
HG2
-.08
2
5604
55
VAL
HG2
-.08
1
5999
102
VAL
HG2
-.08
1
6578
10
VAL
HG2
-.08
2
16193
55
VAL
HG2
-.08
1
186
3
VAL
HG2
-.08
1
5328
49
VAL
HG2
-.08
2
6079
77
VAL
HG2
-.082
1
19520
130
VAL
HG2
-.083
1
19522
130
VAL
HG2
-.083
1
11308
81
VAL
HG2
-.084
1
11531
47
VAL
HG2
-.086
.
34326
41
VAL
HG2
-.087
.
18793
13
VAL
HG2
-.087
2
7085
54
VAL
HG2
-.088
2
19173
91
VAL
HG2
-.08802
1
18269
13
VAL
HG2
-.089
2
5820
163
VAL
HG2
-.089
.
19843
83
VAL
HG2
-.089
.
17577
49
VAL
HG2
-.09
1
25138
40
VAL
HG2
-.09
1
18111
40
VAL
HG2
-.09
2
4969
20
VAL
HG2
-.09
2
169
3
VAL
HG2
-.09
1
19971
129
VAL
HG2
-.09
2
27395
98
VAL
HG2
-.09
2
19942
43
VAL
HG2
-.091
.
19179
19
VAL
HG2
-.092
2
36129
93
VAL
HG2
-.094
.
19521
130
VAL
HG2
-.095
1
16101
72
VAL
HG2
-.097
2
18443
76
VAL
HG2
-.098
2
7287
33
VAL
HG2
-.099
1
25720
21
VAL
HG2
-.1
.
5661
22
VAL
HG2
-.1
2
10085
62
VAL
HG2
-.1
1
15097
182
VAL
HG2
-.1
2
5042
37
VAL
HG2
-.1
2
4210
18
VAL
HG2
-.1
1
15617
81
VAL
HG2
-.1
2
34013
59
VAL
HG2
-.102
1
25645
19
VAL
HG2
-.103
2
10083
119
VAL
HG2
-.104
1
11211
81
VAL
HG2
-.104
1
15785
111
VAL
HG2
-.105
.
15952
111
VAL
HG2
-.105
.
30249
56
VAL
HG2
-.106
2
10107
54
VAL
HG2
-.106
1
17279
61
VAL
HG2
-.109
2
27472
125
VAL
HG2
-.109
2
16365
24
VAL
HG2
-.11
1
25762
103
VAL
HG2
-.11
2
4305
69
VAL
HG2
-.11
1
4912
66
VAL
HG2
-.11
1
5185
42
VAL
HG2
-.11
1
18701
72
VAL
HG2
-.111
2
6346
101
VAL
HG2
-.111
4
19003
32
VAL
HG2
-.113
2
10074
48
VAL
HG2
-.114
1
6786
30
VAL
HG2
-.115
1
5535
50
VAL
HG2
-.116
1
19710
9
VAL
HG2
-.116
2
17799
103
VAL
HG2
-.118
2
15576
95
VAL
HG2
-.119
2
19172
91
VAL
HG2
-.11991
1
16329
160
VAL
HG2
-.12
2
16833
71
VAL
HG2
-.12
1
6972
21
VAL
HG2
-.12
2
16440
10
VAL
HG2
-.12
2
11261
77
VAL
HG2
-.121
1
5072
17
VAL
HG2
-.123
2
19297
33
VAL
HG2
-.123
1
11246
40
VAL
HG2
-.124
1
26580
84
VAL
HG2
-.124
2
16929
25
VAL
HG2
-.126
2
26580
84
VAL
HG2
-.126
2
15746
83
VAL
HG2
-.126
2
17637
18
VAL
HG2
-.129
2
26061
119
VAL
HG2
-.13
.
17806
81
VAL
HG2
-.13
.
2063
3
VAL
HG2
-.13
1
16536
8
VAL
HG2
-.13
1
5968
42
VAL
HG2
-.13
1
17352
90
VAL
HG2
-.134
.
17479
159
VAL
HG2
-.134
1
18823
76
VAL
HG2
-.135
2
6956
89
VAL
HG2
-.135
2
34326
238
VAL
HG2
-.136
.
19404
102
VAL
HG2
-.137
2
15313
160
VAL
HG2
-.138
2
5237
30
VAL
HG2
-.139
4
19290
137
VAL
HG2
-.139
1
7008
152
VAL
HG2
-.139
.
17586
9
VAL
HG2
-.14
.
17443
141
VAL
HG2
-.14
2
17831
119
VAL
HG2
-.14
2
6688
175
VAL
HG2
-.14
2
15821
54
VAL
HG2
-.141
1
18152
61
VAL
HG2
-.142
2
34248
84
VAL
HG2
-.142
2
26518
19
VAL
HG2
-.143
2
16267
134
VAL
HG2
-.146
1
26618
41
VAL
HG2
-.147
2
18156
44
VAL
HG2
-.15
1
5756
76
VAL
HG2
-.15
2
16679
102
VAL
HG2
-.152
2
18467
109
VAL
HG2
-.153
2
19156
136
VAL
HG2
-.153
0
30092
58
VAL
HG2
-.1538
.
16872
16
VAL
HG2
-.154
2
11141
115
VAL
HG2
-.155
1
25221
15
VAL
HG2
-.157
2
10274
35
VAL
HG2
-.158
1
10270
91
VAL
HG2
-.158
1
6097
34
VAL
HG2
-.16
2
7086
37
VAL
HG2
-.16
2
5235
88
VAL
HG2
-.16
1
7118
4
VAL
HG2
-.16
.
25499
67
VAL
HG2
-.161
2
25979
76
VAL
HG2
-.161
2
16803
39
VAL
HG2
-.161
2
6755
93
VAL
HG2
-.162
1
11125
78
VAL
HG2
-.164
1
17636
40
VAL
HG2
-.165
2
6012
37
VAL
HG2
-.165
1
18592
26
VAL
HG2
-.165
.
11098
17
VAL
HG2
-.166
1
19551
171
VAL
HG2
-.166
2
16578
9
VAL
HG2
-.169
1
18466
109
VAL
HG2
-.17
2
16186
30
VAL
HG2
-.17
2
6688
91
VAL
HG2
-.17
2
6912
63
VAL
HG2
-.17
2
25744
60
VAL
HG2
-.17
2
25138
4
VAL
HG2
-.17
1
17303
82
VAL
HG2
-.17
1
26853
62
VAL
HG2
-.171
2
15446
57
VAL
HG2
-.172
2
15110
36
VAL
HG2
-.173
2
15249
98
VAL
HG2
-.174
1
18792
91
VAL
HG2
-.175
1
30290
75
VAL
HG2
-.176
.
11104
21
VAL
HG2
-.176
1
16833
27
VAL
HG2
-.177
1
18726
78
VAL
HG2
-.177599
1
36001
20
VAL
HG2
-.178
.
26558
75
VAL
HG2
-.179
2
16613
56
VAL
HG2
-.179
2
18053
81
VAL
HG2
-.179
2
15209
6
VAL
HG2
-.18
1
11090
102
VAL
HG2
-.18
1
4011
103
VAL
HG2
-.18
1
30130
62
VAL
HG2
-.18
2
15715
106
VAL
HG2
-.18
1
30131
62
VAL
HG2
-.181
2
19198
46
VAL
HG2
-.184
2
30331
218
VAL
HG2
-.185
2
19496
200
VAL
HG2
-.186
2
15618
56
VAL
HG2
-.186
2
19496
158
VAL
HG2
-.187
2
18375
69
VAL
HG2
-.19
1
30313
32
VAL
HG2
-.19
2
4342
46
VAL
HG2
-.19
2
26986
63
VAL
HG2
-.191
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
19551
131
VAL
HG2
-.194
2
10091
48
VAL
HG2
-.196
1
25703
69
VAL
HG2
-.198
2
15020
65
VAL
HG2
-.199
2
18613
147
VAL
HG2
-.199
2
5482
99
VAL
HG2
-.2
1
7110
81
VAL
HG2
-.2
.
5361
26
VAL
HG2
-.2
1
5946
103
VAL
HG2
-.2
2
27497
52
VAL
HG2
-.2
2
34155
64
VAL
HG2
-.2
2
19149
17
VAL
HG2
-.2
.
16872
15
VAL
HG2
-.2
2
25476
63
VAL
HG2
-.2
2
1891
49
VAL
HG2
-.2
1
5866
122
VAL
HG2
-.2
2
17653
56
VAL
HG2
-.2
2
4925
16
VAL
HG2
-.202
1
18574
39
VAL
HG2
-.202
2
18575
39
VAL
HG2
-.202
2
27048
73
VAL
HG2
-.202
2
15720
154
VAL
HG2
-.203
2
7339
154
VAL
HG2
-.203
2
18526
75
VAL
HG2
-.203
2
26991
40
VAL
HG2
-.204
2
11106
97
VAL
HG2
-.205
1
19404
104
VAL
HG2
-.206
2
15826
64
VAL
HG2
-.209
2
5475
95
VAL
HG2
-.21
2
6046
32
VAL
HG2
-.21
2
16052
82
VAL
HG2
-.211
2
11129
103
VAL
HG2
-.216
1
19023
43
VAL
HG2
-.216
2
18899
39
VAL
HG2
-.218
2
16593
160
VAL
HG2
-.22
2
6973
15
VAL
HG2
-.22
.
1211
31
VAL
HG2
-.22
1
11456
42
VAL
HG2
-.223
1
17352
54
VAL
HG2
-.223
.
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
25175
37
VAL
HG2
-.232
2
19117
77
VAL
HG2
-.233
2
18540
101
VAL
HG2
-.234
1
16617
106
VAL
HG2
-.234
.
34247
84
VAL
HG2
-.239
2
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
30246
132
VAL
HG2
-.252
.
16833
153
VAL
HG2
-.254
1
10327
51
VAL
HG2
-.259
1
4758
4
VAL
HG2
-.26
1
19354
11
VAL
HG2
-.26
1
17302
82
VAL
HG2
-.26
1
18507
70
VAL
HG2
-.26
2
1217
31
VAL
HG2
-.26
1
1213
31
VAL
HG2
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