ALA C Chemical Shift Outliers

___________________________________________________
ALA C Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
25352
177.792
164.477
187.2
2.125


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
18244
46
ALA
C
184.3
1
15213
42
ALA
C
184.3
1
6801
74
ALA
C
184.311
1
15213
53
ALA
C
184.6
1
6233
95
ALA
C
184.874
1
16715
232
ALA
C
184.996
1
16738
232
ALA
C
184.996
1
15213
29
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
64
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
16984
213
ALA
C
165.751
1
5514
179
ALA
C
167.26
1
6912
27
ALA
C
167.37
1
5189
16
ALA
C
167.39
1
15702
54
ALA
C
167.4
1
16984
146
ALA
C
167.475
1
16984
119
ALA
C
167.502
1
16984
211
ALA
C
167.509
1
15702
125
ALA
C
167.8
1
16984
116
ALA
C
167.937
1
5886
229
ALA
C
168.2
1
5514
37
ALA
C
168.25
1
16984
78
ALA
C
168.377
1
16984
27
ALA
C
168.405
1
6913
28
ALA
C
168.764
1
15802
23
ALA
C
168.81
1
16984
131
ALA
C
168.813
1
16984
173
ALA
C
168.827
1
6128
42
ALA
C
168.9
1
4573
77
ALA
C
168.9
1
6912
71
ALA
C
168.9
1
16884
12
ALA
C
168.9
1
18887
12
ALA
C
168.95
.
6713
74
ALA
C
169
1
18887
29
ALA
C
169.05
.
6912
103
ALA
C
169.1
1
4908
31
ALA
C
169.16
1
7300
78
ALA
C
169.2
1
6196
146
ALA
C
169.2
.
6195
132
ALA
C
169.2
.
18887
22
ALA
C
169.2
.
16984
232
ALA
C
169.244
1
16984
137
ALA
C
169.247
1
6912
90
ALA
C
169.3
1
6318
124
ALA
C
169.3
1
18887
92
ALA
C
169.33
.
7300
92
ALA
C
169.43
1
5974
186
ALA
C
169.43
1
15250
105
ALA
C
169.47
1
6586
62
ALA
C
169.485
1
18887
43
ALA
C
169.49
.
18856
56
ALA
C
169.499
.
16884
41
ALA
C
169.5
1
7300
74
ALA
C
169.53
1
16789
69
ALA
C
169.558
1
5798
78
ALA
C
169.6
1
18887
98
ALA
C
169.6
.
7300
18
ALA
C
169.66
1
16982
213
ALA
C
169.675
1
16984
180
ALA
C
169.682
1
16984
205
ALA
C
169.691
1
16984
143
ALA
C
169.691
1
16984
250
ALA
C
169.694
1
16984
184
ALA
C
169.695
1
6058
28
ALA
C
169.7
1
5879
37
ALA
C
169.7
1
18887
101
ALA
C
169.73
.
6713
60
ALA
C
169.8
1
11140
33
ALA
C
169.801
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
17647
81
ALA
C
169.974
1
4722
53
ALA
C
170
1
16984
238
ALA
C
170.131
1
5879
131
ALA
C
170.169
1
17410
175
ALA
C
170.199
1
5882
162
ALA
C
170.2
1
6134
48
ALA
C
170.2
1
5849
45
ALA
C
170.202
.
18486
89
ALA
C
170.206
1
6912
8
ALA
C
170.24
1
5514
227
ALA
C
170.24
1
6014
85
ALA
C
170.28
1
5849
38
ALA
C
170.321
.
5849
15
ALA
C
170.4
.
11236
11
ALA
C
170.417
1
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
5898
101
ALA
C
170.5
1
6195
47
ALA
C
170.5
.
6196
61
ALA
C
170.5
.
17635
72
ALA
C
170.53
1
4401
90
ALA
C
170.54
1
6531
2
ALA
C
170.541
.
16984
246
ALA
C
170.563
1
18887
16
ALA
C
170.61
.
11222
52
ALA
C
170.671
1
7119
152
ALA
C
170.747
1
16713
48
ALA
C
170.766
1
17443
27
ALA
C
170.771
1
5798
81
ALA
C
170.8
1
15726
190
ALA
C
170.805
1
6812
21
ALA
C
170.81
1
18179
104
ALA
C
170.819
1
6903
4
ALA
C
170.82
1
4447
94
ALA
C
170.82
1
17196
22
ALA
C
170.883
.
16712
48
ALA
C
170.885
1
11242
10
ALA
C
170.889
1
6058
68
ALA
C
170.9
1
16946
79
ALA
C
170.904
1
17447
149
ALA
C
170.912
1
10052
64
ALA
C
170.919
1
17250
198
ALA
C
170.94
1
5943
23
ALA
C
170.94
1
16741
14
ALA
C
170.95
.
6150
18
ALA
C
170.99
1
15820
91
ALA
C
170.996
.
16984
215
ALA
C
170.999
1
7308
2
ALA
C
171
1
4037
26
ALA
C
171
1
16741
51
ALA
C
171.02
.
5879
134
ALA
C
171.033
1
17635
73
ALA
C
171.039
1
5886
355
ALA
C
171.05
1
17635
25
ALA
C
171.061
1
15563
59
ALA
C
171.073
1
4978
107
ALA
C
171.08
1
6904
28
ALA
C
171.09
1
6536
70
ALA
C
171.092
1
16450
2
ALA
C
171.096
1
7307
2
ALA
C
171.1
1
16475
82
ALA
C
171.1
1
15578
279
ALA
C
171.104
1
6725
81
ALA
C
171.11
1
5879
7
ALA
C
171.123
1
16930
46
ALA
C
171.126
1
4775
115
ALA
C
171.15
1
16946
83
ALA
C
171.169
1
7382
61
ALA
C
171.171
.
5813
76
ALA
C
171.195
1
6912
50
ALA
C
171.2
1
16708
151
ALA
C
171.2
1
5514
163
ALA
C
171.23
1
7003
107
ALA
C
171.247
1
5879
18
ALA
C
171.25
1
5813
123
ALA
C
171.251
1
6586
2
ALA
C
171.256
1
17477
54
ALA
C
171.262
1
16781
89
ALA
C
171.3
1
4722
86
ALA
C
171.3
1
18375
40
ALA
C
171.32
1
18856
77
ALA
C
171.323
.
10052
107
ALA
C
171.325
1
17388
70
ALA
C
171.337
1
16982
158
ALA
C
171.369
1
4940
1
ALA
C
171.37
1
5511
175
ALA
C
171.39
1
6073
154
ALA
C
171.39
.
6058
25
ALA
C
171.4
1
16299
21
ALA
C
171.4
1