ALA C Chemical Shift Outliers

___________________________________________________
ALA C Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
40541
177.808
164.477
187.2
2.059


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
6233
24
ALA
C
184.112
1
6233
93
ALA
C
184.115
1
15213
42
ALA
C
184.3
1
18244
46
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
11511
89
ALA
C
167.955
1
27733
112
ALA
C
168.18
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
4127
32
ALA
C
168.8
1
15802
23
ALA
C
168.81
1
16984
131
ALA
C
168.813
1
16984
173
ALA
C
168.827
1
6912
71
ALA
C
168.9
1
16884
12
ALA
C
168.9
1
6128
42
ALA
C
168.9
1
4573
77
ALA
C
168.9
1
18887
12
ALA
C
168.95
.
6713
74
ALA
C
169
1
18887
29
ALA
C
169.05
.
11506
239
ALA
C
169.098
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
18887
22
ALA
C
169.2
.
6196
146
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
.
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
18887
43
ALA
C
169.49
.
18856
56
ALA
C
169.499
.
25573
20
ALA
C
169.4998
1
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
27732
112
ALA
C
170.3
1
5849
38
ALA
C
170.321
.
30070
25
ALA
C
170.375
1
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
5898
101
ALA
C
170.5
1
6196
61
ALA
C
170.5
.
25493
93
ALA
C
170.5
1
6195
47
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
.
26782
71
ALA
C
170.616
1
25830
1
ALA
C
170.618
1
25995
139
ALA
C
170.635
1
26756
80
ALA
C
170.659
.
16544
36
ALA
C
170.669
1
11222
52
ALA
C
170.671
1
25995
136
ALA
C
170.727
1
7119
152
ALA
C
170.747
1
16713
48
ALA
C
170.766
1
17443
27
ALA
C
170.771
1
27413
52
ALA
C
170.792
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
4447
94
ALA
C
170.82
1
6903
4
ALA
C
170.82
1
25995
18
ALA
C
170.856
1
17196
22
ALA
C
170.883
.
16712
48
ALA
C
170.885
1
11242
10
ALA
C
170.889
1
25629
8
ALA
C
170.899
.
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
27834
90
ALA
C
170.92
1
17250
198
ALA
C
170.94
1
5943
23
ALA
C
170.94
1
27435
55
ALA
C
170.941
1
16741
14
ALA
C
170.95
.
19233
18
ALA
C
170.958
1
25628
8
ALA
C
170.965
.
11214
45
ALA
C
170.979
1
26756
97
ALA
C
170.986
.
6150
18
ALA
C
170.99
1
15820
91
ALA
C
170.996
.
16984
215
ALA
C
170.999
1
4037
26
ALA
C
171
1
7308
2
ALA
C
171
1
15738
37
ALA
C
171.007
1
16741
51
ALA
C
171.02
.
16959
126
ALA
C
171.027
1
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
19792
54
ALA
C
171.062
.
25995
100
ALA
C
171.068
1
19052
38
ALA
C
171.072
1
25830
20
ALA
C
171.072
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
6725
81
ALA
C
171.11
1
30469
66
ALA
C
171.119
.
5879
7
ALA
C
171.123
1
25515
59
ALA
C
171.125
.
16930
46
ALA
C
171.126
1
16946
83
ALA
C
171.169
1
7382
61
ALA
C
171.171
.
5813
76
ALA
C
171.195
1
16708
151
ALA
C
171.2
1
6912
50
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
25048
103
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
26955
18
ALA
C
171.33
1
17388
70
ALA
C
171.337
1
16982
158
ALA
C
171.369
1
4940
1
ALA
C
171.37
1
25995
6
ALA
C
171.374
1
26751
91
ALA
C
171.3828
1
16959
38
ALA
C
171.387
1
26884
32
ALA
C
171.388
1
5511
175
ALA
C
171.39
1
6073
154
ALA
C
171.39
.
26948
45
ALA
C
171.4
1
16299
21
ALA
C
171.4
1
6058
25
ALA
C
171.4
1
26851
188
ALA
C
171.415
1
16984
1
ALA
C
171.429
1
19052
32
ALA
C
171.431
1
16984
102
ALA
C
171.443
1
5813
18
ALA
C
171.453
1
7003
13
ALA
C
171.456
1
17410
136
ALA
C
171.465
1
5879
59
ALA
C
171.469
1
7300
91
ALA
C
171.47
1
27065
51
ALA
C
171.479
1
27191
154
ALA
C
171.4832
1
18887
24
ALA
C
171.49
.
6134
44
ALA
C
171.5
1
27580
59
ALA
C
171.5
.
26848
188
ALA
C
171.516
1
27019
71
ALA
C
171.52
.
6586
45
ALA
C
171.53
1
15164
275
ALA
C
171.534
1
16982
211
ALA
C
171.57
1
16204
157
ALA
C
171.575
1
18856
76
ALA
C
171.575
.
16982
116
ALA
C
171.582
1
17477
84
ALA
C
171.587
1
19052
33
ALA
C
171.593
1
25476
154
ALA
C
171.6
1
25449
65
ALA
C
171.6
1
4127
29
ALA
C
171.6
1
19052
23
ALA
C
171.603
1
16260
32
ALA
C
171.605
1
18509
6
ALA
C
171.607
1
18708
6
ALA
C
171.607
1
4731
25
ALA
C
171.61
1
19339
117
ALA
C
171.624
1