LEU HB2 Chemical Shift Outliers

___________________________________________________
LEU HB2 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
16116
1.619
-1.313
3.184
0.345


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
6051
10
LEU
HB2
2.66
2
5094
47
LEU
HB2
2.66
.
6213
78
LEU
HB2
2.669
2
4766
125
LEU
HB2
2.68
.
15512
97
LEU
HB2
2.705
2
6583
82
LEU
HB2
2.72
1
6433
55
LEU
HB2
2.73
2
7260
58
LEU
HB2
2.744
2
4821
144
LEU
HB2
2.765
1
15313
81
LEU
HB2
2.767
2
15348
16
LEU
HB2
2.794
2
6372
65
LEU
HB2
2.8
1
7089
125
LEU
HB2
2.8
2
5701
73
LEU
HB2
2.835
2
5298
94
LEU
HB2
2.86
2
6540
126
LEU
HB2
2.87
2
6532
79
LEU
HB2
2.892
.
5709
4
LEU
HB2
2.91
1
5213
6
LEU
HB2
2.915
1
5141
4
LEU
HB2
2.94
1
6586
80
LEU
HB2
2.957
1
4158
94
LEU
HB2
2.96
2
7189
31
LEU
HB2
2.996
1
4766
90
LEU
HB2
3.02
.
5332
141
LEU
HB2
3.05
2
4589
86
LEU
HB2
3.07
.
6147
78
LEU
HB2
3.136
1
6089
69
LEU
HB2
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
4918
96
LEU
HB2
-.04
2
15419
37
LEU
HB2
-.045
2
15592
29
LEU
HB2
-.049
2
15350
59
LEU
HB2
-.06
2
4165
44
LEU
HB2
-.06
2
5535
36
LEU
HB2
-.061
1
6361
36
LEU
HB2
-.075
2
5845
82
LEU
HB2
-.08
2
15339
9
LEU
HB2
-.085
2
6712
9
LEU
HB2
-.089
2
6363
59
LEU
HB2
-.09
2
5537
25
LEU
HB2
-.11
1
5579
93
LEU
HB2
-.13
.
6055
46
LEU
HB2
-.14
2
6363
13
LEU
HB2
-.15
2
6047
46
LEU
HB2
-.17
2
6012
95
LEU
HB2
-.176
2
6332
61
LEU
HB2
-.19
2
4577
49
LEU
HB2
-.19
2
6922
16
LEU
HB2
-.226
1
6766
45
LEU
HB2
-.31
1
15280
43
LEU
HB2
-.313
1
6884
45
LEU
HB2
-.38
2
5329
20
LEU
HB2
-.39
2
15211
98
LEU
HB2
-.41
2
5998
120
LEU
HB2
-.42
2
5874
27
LEU
HB2
-.434
1
4455
62
LEU
HB2
-.46
2
7002
25
LEU
HB2
-.51
2
6611
5
LEU
HB2
-.54
2
5044
72
LEU
HB2
-.547
1
6475
117
LEU
HB2
-.576
2
7079
53
LEU
HB2
-.603
2
4791
43
LEU
HB2
-.68
2
15591
29
LEU
HB2
-.719
2
5783
24
LEU
HB2
-.8
2
7107
116
LEU
HB2
-.827
2
5285
113
LEU
HB2
-.85
1
5284
113
LEU
HB2
-.85
1
6868
77
LEU
HB2
-.878
1
5177
75
LEU
HB2
-.89
2
6406
75
LEU
HB2
-.896
2
5850
8
LEU
HB2
-1.002
2
4162
64
LEU
HB2
-1.07
2
5151
6
LEU
HB2
-1.13
1
6280
5
LEU
HB2
-1.21
2
4141
24
LEU
HB2
-1.29
2
4143
58
LEU
HB2
-1.313
2
7300
16
LEU
HB2
.01
2
7008
150
LEU
HB2
.015
.
1586
15
LEU
HB2
.02
2
6797
26
LEU
HB2
.039
2
975
63
LEU
HB2
.05
2
5929
120
LEU
HB2
.06
2
5074
15
LEU
HB2
.07
.
5814
83
LEU
HB2
.08
2
6518
90
LEU
HB2
.08
2
6366
62
LEU
HB2
.08
1
4160
44
LEU
HB2
.08
2
6980
110
LEU
HB2
.083
2
15652
45
LEU
HB2
.104
2
6162
53
LEU
HB2
.11
2
1205
29
LEU
HB2
.11
1
6645
118
LEU
HB2
.12
2
394
12
LEU
HB2
.12
2
6514
105
LEU
HB2
.12
2
5668
50
LEU
HB2
.1231
2
5398
50
LEU
HB2
.1231
2
15204
70
LEU
HB2
.134
1
6840
12
LEU
HB2
.14
1
6052
121
LEU
HB2
.14
2
6332
75
LEU
HB2
.15
2
15404
59
LEU
HB2
.151
2
1580
141
LEU
HB2
.16
2
5591
74
LEU
HB2
.179
2
4086
24
LEU
HB2
.2
2
4123
89
LEU
HB2
.21
2
4109
64
LEU
HB2
.224
1
4217
84
LEU
HB2
.25
1
1991
32
LEU
HB2
.26
2
4109
64
LEU
HB2
.27
2
7383
37
LEU
HB2
.278
.
15276
76
LEU
HB2
.28
2
4790
86
LEU
HB2
.28
1
4109
64
LEU
HB2
.281
1
6202
147
LEU
HB2
.29
2
4312
18
LEU
HB2
.29
1
6201
63
LEU
HB2
.299
2
6538
19
LEU
HB2
.3
2
4348
36
LEU
HB2
.3
2
5687
30
LEU
HB2
.3
2
15295
38
LEU
HB2
.301
2
5388
24
LEU
HB2
.31
2
6292
30
LEU
HB2
.31
2
7054
40
LEU
HB2
.32
2
5943
71
LEU
HB2
.321
1
4092
68
LEU
HB2
.33
2
4562
17
LEU
HB2
.33
2
1093
17
LEU
HB2
.33
1
6201
63
LEU
HB2
.335
2
6693
67
LEU
HB2
.345
2
5069
18
LEU
HB2
.35
2
15373
25
LEU
HB2
.36
2
4681
116
LEU
HB2
.36
.
2224
84
LEU
HB2
.37
1
5349
17
LEU
HB2
.37
2
5027
59
LEU
HB2
.37
2
4851
31
LEU
HB2
.38
1
6297
98
LEU
HB2
.386
2
15092
151
LEU
HB2
.388
2
4681
116
LEU
HB2
.39
.
5792
42
LEU
HB2
.39
2
6453
75
LEU
HB2
.41
2
5823
10
LEU
HB2
.41
2
5821
10
LEU
HB2
.41
2
6004
153
LEU
HB2
.42
2
395
12
LEU
HB2
.42
1
5991
118
LEU
HB2
.425
2
1037
17
LEU
HB2
.43
1
4572
29
LEU
HB2
.43
2
5298
83
LEU
HB2
.44
1
4312
78
LEU
HB2
.44
1
6503
98
LEU
HB2
.448
2
5194
93
LEU
HB2
.45
2
7186
4
LEU
HB2
.45
2
1497
7
LEU
HB2
.45
2
6310
98
LEU
HB2
.457
.
4682
116
LEU
HB2
.46
.
15055
52
LEU
HB2
.46
2
5842
72
LEU
HB2
.46
2
15350
4
LEU
HB2
.47
2
4082
111
LEU
HB2
.48
1
5499
83
LEU
HB2
.48
.
6964
35
LEU
HB2
.48
2
5696
76
LEU
HB2
.48
2
6359
74
LEU
HB2
.48
2
5981
75
LEU
HB2
.481
2
6794
21
LEU
HB2
.486
2
4946
12
LEU
HB2
.5
1
7063
109
LEU
HB2
.5
2
6120
145
LEU
HB2
.5
1
7032
62
LEU
HB2
.5
2
5225
10
LEU
HB2
.51
1
7220
74
LEU
HB2
.51
2
15369
102
LEU
HB2
.515
2
7310
98
LEU
HB2
.519
2
4682
116
LEU
HB2
.52
.
5398
171
LEU
HB2
.521
2
5668
171
LEU
HB2
.521
2
6876
27
LEU
HB2
.522
2
7210
43
LEU
HB2
.525
2
15013
58
LEU
HB2
.526
.
7203
17
LEU
HB2
.536
.
6611
34
LEU
HB2
.54
2
4848
31
LEU
HB2
.55
.
15346
32
LEU
HB2
.55
2
5697
76
LEU
HB2
.55
2
6551
71
LEU
HB2
.558
.
5115
89
LEU
HB2
.56
2
5659
113
LEU
HB2
.56
2
4782
106
LEU
HB2
.56
1
4382
37
LEU
HB2
.56
1
4121
18
LEU
HB2
.57
1
5177
153
LEU
HB2
.57
2
6868
114
LEU
HB2
.571
1
6922
65
LEU
HB2
.574
1
1766
13
LEU
HB2
.58
2
6944
98
LEU
HB2
.581
.
491
24
LEU
HB2
0
2