ALA C Chemical Shift Outliers

___________________________________________________
ALA C Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
11727
177.749
164.477
187.2
2.203


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
15213
64
ALA
C
184.6
1
6233
95
ALA
C
184.874
1
15213
32
ALA
C
185
1
5968
36
ALA
C
185.1
1
5797
63
ALA
C
185.2
1
6233
40
ALA
C
185.417
1
15213
76
ALA
C
187.2
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
6233
111
ALA
C
164.477
1
5514
179
ALA
C
167.26
1
6912
27
ALA
C
167.37
1
5189
16
ALA
C
167.39
1
5886
229
ALA
C
168.2
1
5514
37
ALA
C
168.25
1
5843
85
ALA
C
168.8
1
6128
42
ALA
C
168.9
1
4573
77
ALA
C
168.9
1
6912
71
ALA
C
168.9
1
6713
74
ALA
C
169
1
6912
103
ALA
C
169.1
1
4908
31
ALA
C
169.16
1
6195
132
ALA
C
169.2
.
7300
78
ALA
C
169.2
1
6196
146
ALA
C
169.2
.
6318
124
ALA
C
169.3
1
6912
90
ALA
C
169.3
1
6312
137
ALA
C
169.351
1
5974
186
ALA
C
169.43
1
7300
92
ALA
C
169.43
1
15250
105
ALA
C
169.47
1
6586
62
ALA
C
169.485
1
7300
74
ALA
C
169.53
1
5798
78
ALA
C
169.6
1
7300
18
ALA
C
169.66
1
6058
28
ALA
C
169.7
1
5879
37
ALA
C
169.7
1
6713
60
ALA
C
169.8
1
5886
186
ALA
C
169.83
1
6150
28
ALA
C
169.935
1
6536
33
ALA
C
169.938
1
5511
172
ALA
C
169.97
1
4722
53
ALA
C
170
1
5879
131
ALA
C
170.169
1
6134
48
ALA
C
170.2
1
5882
162
ALA
C
170.2
1
5849
45
ALA
C
170.202
.
5514
227
ALA
C
170.24
1
6912
8
ALA
C
170.24
1
6053
104
ALA
C
170.27
1
6014
85
ALA
C
170.28
1
5849
38
ALA
C
170.321
.
5849
15
ALA
C
170.4
.
7003
41
ALA
C
170.427
1
5886
81
ALA
C
170.43
1
4447
97
ALA
C
170.498
1
6586
102
ALA
C
170.499
1
6196
61
ALA
C
170.5
.
5898
101
ALA
C
170.5
1
6195
47
ALA
C
170.5
.
4401
90
ALA
C
170.54
1
6531
2
ALA
C
170.541
.
7119
152
ALA
C
170.747
1
5798
81
ALA
C
170.8
1
6812
21
ALA
C
170.81
1
6903
4
ALA
C
170.82
1
4447
94
ALA
C
170.82
1
6058
68
ALA
C
170.9
1
10052
64
ALA
C
170.919
1
5943
23
ALA
C
170.94
1
7187
1
ALA
C
170.96
1
6150
18
ALA
C
170.99
1
7308
2
ALA
C
171
1
4037
26
ALA
C
171
1
5879
134
ALA
C
171.033
1
5886
355
ALA
C
171.05
1
4978
107
ALA
C
171.08
1
6904
28
ALA
C
171.09
1
6536
70
ALA
C
171.092
1
7307
2
ALA
C
171.1
1
6821
1
ALA
C
171.103
.
6725
81
ALA
C
171.11
1
5879
7
ALA
C
171.123
1