ALA CB Chemical Shift Outliers

___________________________________________________
ALA CB Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
15140
18.954
9.789
32.985
1.854


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
6032
60
ALA
CB
24.52
.
6014
85
ALA
CB
24.52
1
5242
79
ALA
CB
24.543
1
6357
222
ALA
CB
24.548
1
5073
39
ALA
CB
24.554
.
6628
52
ALA
CB
24.56
1
7138
200
ALA
CB
24.568
.
4264
65
ALA
CB
24.59
1
4343
161
ALA
CB
24.6
1
6250
12
ALA
CB
24.6
1
6406
92
ALA
CB
24.6
1
5202
212
ALA
CB
24.6
1
5967
22
ALA
CB
24.61
.
15295
36
ALA
CB
24.625
1
5627
141
ALA
CB
24.63
1
10004
3
ALA
CB
24.634
1
6298
76
ALA
CB
24.642
.
7022
58
ALA
CB
24.646
1
4264
160
ALA
CB
24.65
1
6932
20
ALA
CB
24.65
1
5758
16
ALA
CB
24.655
1
6974
6
ALA
CB
24.659
.
5270
16
ALA
CB
24.66
1
6700
24
ALA
CB
24.66
.
7116
54
ALA
CB
24.66
1
15232
12
ALA
CB
24.681
1
5536
12
ALA
CB
24.699
1
5570
39
ALA
CB
24.7
1
5785
85
ALA
CB
24.7
1
7054
22
ALA
CB
24.7
1
6034
190
ALA
CB
24.7
1
15110
48
ALA
CB
24.719
1
6613
117
ALA
CB
24.74
1
6758
224
ALA
CB
24.74
1
7059
98
ALA
CB
24.75
1
15426
38
ALA
CB
24.757
.
6800
51
ALA
CB
24.767
1
5789
70
ALA
CB
24.77
1
4267
38
ALA
CB
24.77
1
4122
46
ALA
CB
24.78
1
7055
63
ALA
CB
24.782
1
5567
59
ALA
CB
24.79
1
6140
141
ALA
CB
24.79
1
7000
6
ALA
CB
24.8
1
6964
120
ALA
CB
24.8
1
6368
68
ALA
CB
24.8
1
5971
51
ALA
CB
24.803
1
6693
30
ALA
CB
24.812
1
15001
83
ALA
CB
24.82
1
4901
109
ALA
CB
24.82
1
6973
6
ALA
CB
24.82
.
6574
66
ALA
CB
24.828
1
4577
99
ALA
CB
24.83
1
5270
36
ALA
CB
24.85
1
4664
100
ALA
CB
24.85
1
10010
28
ALA
CB
24.85
1
5758
36
ALA
CB
24.85
1
6310
99
ALA
CB
24.855
.
5055
68
ALA
CB
24.857
1
5606
125
ALA
CB
24.88
1
6344
121
ALA
CB
24.9
1
5628
81
ALA
CB
24.9
1
4394
76
ALA
CB
24.9
1
5347
132
ALA
CB
24.921
1
5161
212
ALA
CB
24.939
.
6505
62
ALA
CB
24.985
1
6226
92
ALA
CB
25
1
6071
60
ALA
CB
25
1
5693
39
ALA
CB
25
1
5554
120
ALA
CB
25
1
6971
83
ALA
CB
25
1
6261
47
ALA
CB
25.02
1
6456
47
ALA
CB
25.03
1
6016
369
ALA
CB
25.05
1
6255
107
ALA
CB
25.06
1
6181
95
ALA
CB
25.06
1
6603
113
ALA
CB
25.071
1
6705
90
ALA
CB
25.083
.
5589
47
ALA
CB
25.1
1
4177
40
ALA
CB
25.1
1
5789
109
ALA
CB
25.11
1
5506
13
ALA
CB
25.16
1
6738
23
ALA
CB
25.176
1
6847
113
ALA
CB
25.2
1
10010
29
ALA
CB
25.27
1
5315
51
ALA
CB
25.273
1
5666
110
ALA
CB
25.3
1
5799
186
ALA
CB
25.3
1
15209
17
ALA
CB
25.3
1
5820
104
ALA
CB
25.34
.
7187
82
ALA
CB
25.387
1
6971
81
ALA
CB
25.4
1
5042
49
ALA
CB
25.4
1
5823
21
ALA
CB
25.45
1
5940
84
ALA
CB
25.45
1
5821
21
ALA
CB
25.45
1
4367
165
ALA
CB
25.5
1
6910
49
ALA
CB
25.5
1
4264
65
ALA
CB
25.53
1
6122
26
ALA
CB
25.542
1
4519
49
ALA
CB
25.555
1
5794
43
ALA
CB
25.655
1
4091
125
ALA
CB
25.7
1
4740
12
ALA
CB
25.7
1
4367
221
ALA
CB
25.7
1
6786
95
ALA
CB
25.749
1
5223
43
ALA
CB
25.774
.
6447
12
ALA
CB
25.8
1
5055
66
ALA
CB
25.823
1
15020
137
ALA
CB
25.88
1
6712
12
ALA
CB
25.881
1
4860
105
ALA
CB
25.9
1
6019
41
ALA
CB
25.927
1
5935
145
ALA
CB
25.947
1
6311
200
ALA
CB
26
1
4791
88
ALA
CB
26
1
6090
95
ALA
CB
26.006
1
5226
41
ALA
CB
26.006
1
10004
6
ALA
CB
26.045
1
15061
165
ALA
CB
26.218
1
15248
212
ALA
CB
26.266
1
4340
25
ALA
CB
26.3
1
5536
90
ALA
CB
26.336
1
6250
90
ALA
CB
26.4
1
7271
98
ALA
CB
26.462
1
5595
36
ALA
CB
26.49
1
6727
43
ALA
CB
26.6
1
5843
17
ALA
CB
26.7
1
5799
96
ALA
CB
26.7
1
6505
64
ALA
CB
27.146
1
5935
193
ALA
CB
27.821
1
4740
41
ALA
CB
28.4
1
4697
4
ALA
CB
32.985
.


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
6586
45
ALA
CB
10.143
1
6586
116
ALA
CB
10.356
1
6586
102
ALA
CB
10.781
1
6586
68
ALA
CB
10.852
1
6586
81
ALA
CB
10.852
1
5312
48
ALA
CB
11.3
1
4431
10
ALA
CB
11.3
1
4431
7
ALA
CB
11.3
1
6586
132
ALA
CB
11.347
1
6586
125
ALA
CB
11.572
1
5547
89
ALA
CB
11.6
1
6586
2
ALA
CB
11.697
1
6586
90
ALA
CB
11.843
1
4431
26
ALA
CB
11.9
1
7308
132
ALA
CB
12
1
4431
141
ALA
CB
12.3
1
5312
50
ALA
CB
12.5
1
7308
21
ALA
CB
12.9
1
5752
153
ALA
CB
13.044
1
6904
28
ALA
CB
13.15
1
6348
33
ALA
CB
13.2
.
11000
29
ALA
CB
13.31
1
6586
62
ALA
CB
9.789
1
4431
74
ALA
CB
9.8
1