LEU HB3 Chemical Shift Outliers

___________________________________________________
LEU HB3 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
15075
1.537
-1.51
3.184
0.367


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
1208
68
LEU
HB3
2.66
1
7089
127
LEU
HB3
2.66
2
7020
144
LEU
HB3
2.672
2
6829
31
LEU
HB3
2.677
2
4825
12
LEU
HB3
2.71
2
6583
82
LEU
HB3
2.72
1
5701
73
LEU
HB3
2.73
2
6586
80
LEU
HB3
2.732
1
5627
204
LEU
HB3
2.77
2
5780
73
LEU
HB3
2.77
1
6372
65
LEU
HB3
2.8
1
15750
48
LEU
HB3
2.8
2
6532
79
LEU
HB3
2.892
.
4210
14
LEU
HB3
2.91
1
15348
16
LEU
HB3
2.917
2
5213
6
LEU
HB3
2.92
1
5141
4
LEU
HB3
2.94
1
6213
78
LEU
HB3
2.949
2
7189
31
LEU
HB3
2.996
1
4589
86
LEU
HB3
3.07
.
6147
57
LEU
HB3
3.072
1
4821
144
LEU
HB3
3.108
1
6089
69
LEU
HB3
3.184
9


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
7271
139
LEU
HB3
-.001
2
6476
52
LEU
HB3
-.002
2
2151
24
LEU
HB3
-.01
1
15554
50
LEU
HB3
-.014
2
6475
93
LEU
HB3
-.024
2
4267
138
LEU
HB3
-.03
1
5774
32
LEU
HB3
-.03
2
4333
57
LEU
HB3
-.035
2
6850
13
LEU
HB3
-.038
2
6313
125
LEU
HB3
-.04
2
4757
39
LEU
HB3
-.06
1
6929
75
LEU
HB3
-.074
1
15063
29
LEU
HB3
-.075
2
5579
93
LEU
HB3
-.08
.
6080
114
LEU
HB3
-.093
1
4884
70
LEU
HB3
-.1
1
5578
115
LEU
HB3
-.11
.
6884
45
LEU
HB3
-.11
2
6125
22
LEU
HB3
-.11
2
4675
97
LEU
HB3
-.131
1
5929
120
LEU
HB3
-.14
2
6709
43
LEU
HB3
-.168
1
4334
32
LEU
HB3
-.18
1
5742
9
LEU
HB3
-.188
.
4880
34
LEU
HB3
-.19
2
5072
46
LEU
HB3
-.197
2
4637
20
LEU
HB3
-.21
4
15090
60
LEU
HB3
-.229
1
5981
22
LEU
HB3
-.238
2
6464
78
LEU
HB3
-.25
2
15373
25
LEU
HB3
-.27
2
4445
29
LEU
HB3
-.287
1
4445
29
LEU
HB3
-.29
1
7310
39
LEU
HB3
-.291
2
4351
18
LEU
HB3
-.315
2
4971
16
LEU
HB3
-.32
2
6197
41
LEU
HB3
-.368
2
5628
77
LEU
HB3
-.4
2
4648
159
LEU
HB3
-.4
.
5364
39
LEU
HB3
-.42
2
5211
98
LEU
HB3
-.426
.
6693
67
LEU
HB3
-.428
2
5981
75
LEU
HB3
-.429
2
6189
30
LEU
HB3
-.435
1
5455
117
LEU
HB3
-.46
2
6464
24
LEU
HB3
-.47
2
6314
69
LEU
HB3
-.47
1
6766
45
LEU
HB3
-.475
1
7203
17
LEU
HB3
-.62
.
15386
45
LEU
HB3
-.659
2
6973
89
LEU
HB3
-.67
.
4682
116
LEU
HB3
-.7
.
4121
18
LEU
HB3
-.7
1
4340
119
LEU
HB3
-.71
1
15512
67
LEU
HB3
-.719
2
6640
98
LEU
HB3
-.77
2
4681
116
LEU
HB3
-.77
.
5784
24
LEU
HB3
-.823
2
5169
24
LEU
HB3
-.826
1
15480
24
LEU
HB3
-.83
2
4681
116
LEU
HB3
-.83
.
6015
84
LEU
HB3
-.839
2
4572
29
LEU
HB3
-.86
2
5606
55
LEU
HB3
-.87
1
4969
81
LEU
HB3
-.87
2
6004
75
LEU
HB3
-.88
2
6760
66
LEU
HB3
-.92
2
6621
59
LEU
HB3
-.93
2
6868
114
LEU
HB3
-.939
1
15325
49
LEU
HB3
-.98
.
5461
105
LEU
HB3
-1.006
2
5461
105
LEU
HB3
-1.006
2
6906
17
LEU
HB3
-1.02
9
6367
37
LEU
HB3
-1.02
1
5349
17
LEU
HB3
-1.03
2
5591
74
LEU
HB3
-1.078
2
6201
63
LEU
HB3
-1.129
2
6201
63
LEU
HB3
-1.133
2
4109
64
LEU
HB3
-1.161
2
15204
70
LEU
HB3
-1.2
1
10009
44
LEU
HB3
-1.202
2
1037
17
LEU
HB3
-1.21
1
15276
76
LEU
HB3
-1.51
2
6973
99
LEU
HB3
.03
.
4782
75
LEU
HB3
.04
2
11033
42
LEU
HB3
.045
2
5061
25
LEU
HB3
.05
2
7063
12
LEU
HB3
.057
2
5505
59
LEU
HB3
.06
2
4143
58
LEU
HB3
.071
2
15055
42
LEU
HB3
.08
2
6004
128
LEU
HB3
.08
2
11032
40
LEU
HB3
.083
2
6982
56
LEU
HB3
.088
2
5751
141
LEU
HB3
.099
1
4701
32
LEU
HB3
.1
2
6310
98
LEU
HB3
.101
.
4829
55
LEU
HB3
.109
2
1205
29
LEU
HB3
.11
1
6973
96
LEU
HB3
.11
.
6644
140
LEU
HB3
.11
2
6001
139
LEU
HB3
.13
2
15097
26
LEU
HB3
.13
2
6868
77
LEU
HB3
.131
1
5692
62
LEU
HB3
.14
2
6751
86
LEU
HB3
.142
2
6363
59
LEU
HB3
.16
2
5762
93
LEU
HB3
.164
2
5751
144
LEU
HB3
.178
1
15020
14
LEU
HB3
.189
2
5131
96
LEU
HB3
.189
2
6092
96
LEU
HB3
.19
2
4472
66
LEU
HB3
.19
2
5309
65
LEU
HB3
.2
2
5044
72
LEU
HB3
.211
1
4516
89
LEU
HB3
.22
2
4109
64
LEU
HB3
.224
1
4217
17
LEU
HB3
.23
1
4673
108
LEU
HB3
.23
2
6091
96
LEU
HB3
.239
2
4455
62
LEU
HB3
.24
2
7310
122
LEU
HB3
.244
2
15377
39
LEU
HB3
.247
.
4943
17
LEU
HB3
.25
2
5068
18
LEU
HB3
.26
2
6885
34
LEU
HB3
.26
2
7310
98
LEU
HB3
.265
2
6475
117
LEU
HB3
.268
2
5803
18
LEU
HB3
.27
2
3441
17
LEU
HB3
.27
2
4848
31
LEU
HB3
.28
.
6644
159
LEU
HB3
.28
2
4943
17
LEU
HB3
.28
2
4109
64
LEU
HB3
.281
1
7063
109
LEU
HB3
.282
2
15063
22
LEU
HB3
.289
2
4112
42
LEU
HB3
.29
1
5804
18
LEU
HB3
.29
2
4248
66
LEU
HB3
.29
1
5991
118
LEU
HB3
.297
2
6391
49
LEU
HB3
.3
1
5033
3
LEU
HB3
.3
1
7059
116
LEU
HB3
.304
2
6824
18
LEU
HB3
.309
1
6454
106
LEU
HB3
.31
2
6204
15
LEU
HB3
.31
2
15553
20
LEU
HB3
.31
1
4976
3
LEU
HB3
.31
.
5280
69
LEU
HB3
.31
1
4173
163
LEU
HB3
.32
2
5100
100
LEU
HB3
.32
2
5943
71
LEU
HB3
.321
1
6988
88
LEU
HB3
.321
2
10004
17
LEU
HB3
.323
1
6190
45
LEU
HB3
.326
.
6960
18
LEU
HB3
.327
.
4206
60
LEU
HB3
.33
2
4081
130
LEU
HB3
.33
1
1093
17
LEU
HB3
.33
1
7079
53
LEU
HB3
.335
2
5696
76
LEU
HB3
.34
2
6284
31
LEU
HB3
.34
1
5100
100
LEU
HB3
.34
2
5568
43
LEU
HB3
.34
2
6507
18
LEU
HB3
.345
.
6415
18
LEU
HB3
.35
2
4636
75
LEU
HB3
.35
.
6794
21
LEU
HB3
.354
2
15020
138
LEU
HB3
.357
2
6231
68
LEU
HB3
.36
2
6866
91
LEU
HB3
.362
2
15211
98
LEU
HB3
.37
2
2224
84
LEU
HB3
.37
1
7102
34
LEU
HB3
.38
2
11018
11
LEU
HB3
.38
2
5065
73
LEU
HB3
.38
2
15603
68
LEU
HB3
.387
2
7242
212
LEU
HB3
.389
2
1496
7
LEU
HB3
.39
2
5106
18
LEU
HB3
.39
2
4342
94
LEU
HB3
.39
2
6244
110
LEU
HB3
.4
2
5159
97
LEU
HB3
.4
2
6738
67
LEU
HB3
.408
2
4849
10
LEU
HB3
.41
2
6196
72
LEU
HB3
.41
.
4049
91
LEU
HB3
.41
2
395
12
LEU
HB3
.42
1
6313
55
LEU
HB3
.42
2
5554
121
LEU
HB3
.42
2
6876
27
LEU
HB3
.421
2
15154
23
LEU
HB3
.422
2
15204
103
LEU
HB3
.428
1
4296
45
LEU
HB3
.43
2
5846
43
LEU
HB3
.43
2
5222
49
LEU
HB3
.43
2
11001
45
LEU
HB3
0
2