ALA N Chemical Shift Outliers

___________________________________________________
ALA N Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
36966
123.211
98.053
142.81
3.495


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
17237
17
ALA
N
133.697
1
5362
4
ALA
N
133.698
1
5858
105
ALA
N
133.7
.
5858
105
ALA
N
133.7
.
5858
105
ALA
N
133.7
.
15496
189
ALA
N
133.7
1
5858
105
ALA
N
133.7
.
5858
105
ALA
N
133.7
.
5858
105
ALA
N
133.7
.
5858
105
ALA
N
133.7
.
5858
105
ALA
N
133.7
.
5858
105
ALA
N
133.7
.
5858
105
ALA
N
133.7
.
5858
105
ALA
N
133.7
.
5858
105
ALA
N
133.7
.
11323
19
ALA
N
133.706
1
15264
25
ALA
N
133.74
1
5511
159
ALA
N
133.76
1
4217
79
ALA
N
133.77
1
4299
3
ALA
N
133.78
1
11062
48
ALA
N
133.796
1
17160
149
ALA
N
133.8
1
4933
10
ALA
N
133.8
1
18679
66
ALA
N
133.816
1
10137
48
ALA
N
133.818
1
16025
44
ALA
N
133.819
1
7140
106
ALA
N
133.822
1
4930
10
ALA
N
133.85
1
15700
31
ALA
N
133.864
1
7234
113
ALA
N
133.864
1
18473
48
ALA
N
133.872
1
15381
35
ALA
N
133.872
1
18900
26
ALA
N
133.889
1
16874
47
ALA
N
133.889
1
4156
110
ALA
N
133.9
1
15162
8
ALA
N
133.9
1
16144
154
ALA
N
133.9
1
16096
18
ALA
N
133.912
1
5382
161
ALA
N
133.92
.
15564
79
ALA
N
133.921
1
18380
20
ALA
N
133.928
1
5182
63
ALA
N
133.93
1
5065
67
ALA
N
133.93
1
16984
143
ALA
N
133.95
1
15322
167
ALA
N
133.95
1
16685
82
ALA
N
133.969
1
11505
46
ALA
N
133.975
1
16014
67
ALA
N
133.983
.
16731
10
ALA
N
133.985
1
5858
54
ALA
N
134
.
5858
54
ALA
N
134
.
6514
98
ALA
N
134
1
4242
71
ALA
N
134
1
16682
100
ALA
N
134
1
10010
76
ALA
N
134
1
5858
54
ALA
N
134
.
4704
55
ALA
N
134
1
5858
54
ALA
N
134
.
5858
54
ALA
N
134
.
5858
54
ALA
N
134
.
4101
185
ALA
N
134
1
5858
54
ALA
N
134
.
5858
54
ALA
N
134
.
5858
54
ALA
N
134
.
5858
54
ALA
N
134
.
5858
54
ALA
N
134
.
16772
122
ALA
N
134.029
1
4705
55
ALA
N
134.031
1
17722
56
ALA
N
134.034
.
11109
88
ALA
N
134.057
1
15578
63
ALA
N
134.082
1
11108
77
ALA
N
134.085
1
7089
68
ALA
N
134.12
1
7009
56
ALA
N
134.169
.
16684
37
ALA
N
134.1856
1
4619
41
ALA
N
134.186
.
16668
161
ALA
N
134.19
1
17250
12
ALA
N
134.2
1
15557
66
ALA
N
134.2
1
6466
46
ALA
N
134.2
1
18142
28
ALA
N
134.201
1
15207
115
ALA
N
134.224
1
11210
38
ALA
N
134.23
1
6268
67
ALA
N
134.232
1
15505
168
ALA
N
134.2493
1
5182
189
ALA
N
134.25
1
17507
86
ALA
N
134.25
1
10141
46
ALA
N
134.267
1
6111
105
ALA
N
134.29
1
4242
79
ALA
N
134.3
1
4309
81
ALA
N
134.3
1
5987
67
ALA
N
134.3
1
6342
85
ALA
N
134.3
1
4300
6
ALA
N
134.31
1
11333
30
ALA
N
134.335
1
18845
81
ALA
N
134.37
1
5710
24
ALA
N
134.381
1
10159
61
ALA
N
134.382
1
5505
104
ALA
N
134.4
1
5888
91
ALA
N
134.4
1
17577
100
ALA
N
134.4
1
5887
91
ALA
N
134.4
1
7126
37
ALA
N
134.41
1
18193
24
ALA
N
134.415
1
18003
100
ALA
N
134.444
1
16442
21
ALA
N
134.45
1
11198
48
ALA
N
134.454
1
11226
34
ALA
N
134.465
1
18193
24
ALA
N
134.474
1
5628
14
ALA
N
134.5
1
4395
94
ALA
N
134.5
1
6345
47
ALA
N
134.507
.
18193
24
ALA
N
134.513
1
10329
53
ALA
N
134.522
1
18001
33
ALA
N
134.6
1
17507
11
ALA
N
134.6
1
5998
40
ALA
N
134.6
1
4844
139
ALA
N
134.6
1
6128
70
ALA
N
134.6
1
17597
63
ALA
N
134.6
1
4901
109
ALA
N
134.61
1
18665
37
ALA
N
134.631
1
15741
128
ALA
N
134.686
1
16902
312
ALA
N
134.688
1
5692
35
ALA
N
134.69
1
17371
26
ALA
N
134.692
1
4070
70
ALA
N
134.7
1
7235
113
ALA
N
134.731
1
6016
53
ALA
N
134.735
1
5505
53
ALA
N
134.8
1
5250
32
ALA
N
134.8
1
17549
20
ALA
N
134.82
1
4321
80
ALA
N
134.84
1
18846
81
ALA
N
134.842
1
15627
22
ALA
N
134.852
1
11186
53
ALA
N
134.854
1
5514
154
ALA
N
134.86
1
5209
162
ALA
N
134.87
1
17793
42
ALA
N
134.9
1
15248
167
ALA
N
134.938
1
11170
16
ALA
N
134.948
1
11236
64
ALA
N
134.96
1
4300
3
ALA
N
134.98
1
16403
38
ALA
N
134.98
1
16634
132
ALA
N
135.06
1
16347
129
ALA
N
135.11
1
18741
133
ALA
N
135.138
1
4918
76
ALA
N
135.2
1
4664
100
ALA
N
135.26
1
5949
48
ALA
N
135.3
1
5948
16
ALA
N
135.3
1
5949
16
ALA
N
135.3
1
10327
30
ALA
N
135.312
1
6391
69
ALA
N
135.32
1
7231
192
ALA
N
135.332
1
18610
46
ALA
N
135.359
1
18479
146
ALA
N
135.38
1
5338
41
ALA
N
135.393
1
6196
55
ALA
N
135.4
.
6195
41
ALA
N
135.4
.
18749
21
ALA
N
135.406
1
15924
65
ALA
N
135.415
1
10309
16
ALA
N
135.503
1
7286
144
ALA
N
135.524
1
19005
14
ALA
N
135.53
1
19004
8
ALA
N
135.58
1
15496
63
ALA
N
135.6
1
5948
48
ALA
N
135.6
1
11513
33
ALA
N
135.602
1
11514
28
ALA
N
135.602
1
6620
190
ALA
N
135.654
1
4271
118
ALA
N
135.66
1
4704
170
ALA
N
135.8
1
17944
14
ALA
N
135.8
1
4705
170
ALA
N
135.814
1
5514
179
ALA
N
135.83
1
17794
42
ALA
N
136
1
17007
96
ALA
N
136.057
1
6542
281
ALA
N
136.1
1
17607
83
ALA
N
136.152
1
5793
138
ALA
N
136.31
1
4969
40
ALA
N
136.341
1
4309
68
ALA
N
136.4
1
18837
54
ALA
N
136.529
1
11514
33
ALA
N
136.562
1
6416
143
ALA
N
136.78
.
2573
46
ALA
N
136.8
1
18200
113
ALA
N
136.878
1
16881
12
ALA
N
136.9
1
4101
142
ALA
N
137.2
1
19182
77
ALA
N
137.494
1
18245
130
ALA
N
137.532
1
17838
133
ALA
N
137.83
1
16144
160
ALA
N
137.9
1
18246
130
ALA
N
137.909
1
4242
36
ALA
N
138.5
1
5514
226
ALA
N
138.79
1
16611
72
ALA
N
139.354
1
6304
75
ALA
N
139.516
1
5514
37
ALA
N
141.34
1
5514
110
ALA
N
142.81
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
5547
89
ALA
N
100.1
1
18850
90
ALA
N
100.62
1
17596
16
ALA
N
101.269
1
16093
40
ALA
N
102.3
1
6111
105
ALA
N
104.07
1
16245
38
ALA
N
104.293
1
6362
59
ALA
N
104.488
1
7002
46
ALA
N
104.64
1
4929
15
ALA
N
105.49
1
19162
63
ALA
N
105.784
1
18302
57
ALA
N
106
1
5861
18
ALA
N
106
1
5788
69
ALA
N
106.55
1
5689
56
ALA
N
106.625
1
16565
88
ALA
N
106.7
1
5744
140
ALA
N
106.799
1
5349
82
ALA
N
106.8
1
17647
105
ALA
N
107.088
1
6261
47
ALA
N
107.32
1
4376
12
ALA
N
108.02
1
19207
200
ALA
N
108.2
1
5247
88
ALA
N
108.481
1
19209
200
ALA
N
108.5
1
17650
29
ALA
N
108.518
1
6476
46
ALA
N
108.875
1
6476
2
ALA
N
108.894
1
5797
63
ALA
N
108.9
1
6555
82
ALA
N
109.01
1
5567
96
ALA
N
109.02
1
16330
153
ALA
N
109.118
1
4344
65
ALA
N
109.3
1
5567
61
ALA
N
109.37
1
16710
21
ALA
N
109.5
1
4836
186
ALA
N
110.04
1
5300
130
ALA
N
110.2
1
16847
6
ALA
N
110.408
1
18276
36
ALA
N
110.48
.
6228
16
ALA
N
110.537
1
18761
55
ALA
N
110.61
1
16694
121
ALA
N
110.633
.
5234
92
ALA
N
110.8
1
5606
21
ALA
N
110.86
1
4577
63
ALA
N
110.95
1
16982
108
ALA
N
111.045
1
16984
108
ALA
N
111.067
1
6143
29
ALA
N
111.068
1
5900
4
ALA
N
111.1
1
17235
88
ALA
N
111.3
1
15792
189
ALA
N
111.32
1
18887
92
ALA
N
111.35
.
16878
9
ALA
N
111.38
1
6826
29
ALA
N
111.534
1
4977
4
ALA
N
111.54
1
4848
104
ALA
N
111.59
.
17747
50
ALA
N
111.682
1
15485
79
ALA
N
111.71
.
16653
70
ALA
N
111.8
1
18820
56
ALA
N
111.856
1
17738
106
ALA
N
111.869
1
6125
176
ALA
N
111.9
1
16464
222
ALA
N
112.15
1
18477
159
ALA
N
112.176
1
4091
144
ALA
N
112.2
1
15082
104
ALA
N
112.241
1
5316
236
ALA
N
112.279
1
16957
92
ALA
N
112.345
1
16957
92
ALA
N
112.531
1
1584
110
ALA
N
112.6
1
18000
163
ALA
N
112.61
1
17536
72
ALA
N
112.644
1
1583
110
ALA
N
112.7
1
1582
116
ALA
N
112.7
1
6790
1
ALA
N
98.053
1