ALA N Chemical Shift Outliers

___________________________________________________
ALA N Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
59025
123.303
98.053
142.81
3.456


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
11346
24
ALA
N
133.675
1
11225
40
ALA
N
133.677
1
25690
128
ALA
N
133.69
1
16409
113
ALA
N
133.694
1
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
.
5858
105
ALA
N
133.7
.
25616
102
ALA
N
133.7
1
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
.
26564
50
ALA
N
133.701
1
11323
19
ALA
N
133.706
1
19549
41
ALA
N
133.718
1
15264
25
ALA
N
133.74
1
19807
18
ALA
N
133.743
1
11485
11
ALA
N
133.759
1
5511
159
ALA
N
133.76
1
25193
222
ALA
N
133.767
1
4217
79
ALA
N
133.77
1
25715
150
ALA
N
133.775
1
4299
3
ALA
N
133.78
1
26746
263
ALA
N
133.79
1
11062
48
ALA
N
133.796
1
17160
149
ALA
N
133.8
1
4933
10
ALA
N
133.8
1
30094
66
ALA
N
133.801
1
18679
66
ALA
N
133.816
1
16025
44
ALA
N
133.819
1
7140
106
ALA
N
133.822
1
18650
67
ALA
N
133.846
.
4930
10
ALA
N
133.85
1
15700
31
ALA
N
133.864
1
25713
150
ALA
N
133.864
1
7234
113
ALA
N
133.864
1
25761
32
ALA
N
133.865
.
18473
48
ALA
N
133.872
1
15381
35
ALA
N
133.872
1
25715
150
ALA
N
133.878
1
18900
26
ALA
N
133.889
1
16874
46
ALA
N
133.889
1
15162
8
ALA
N
133.9
1
4156
110
ALA
N
133.9
1
26858
177
ALA
N
133.9
1
16144
154
ALA
N
133.9
1
25060
72
ALA
N
133.903
1
26564
108
ALA
N
133.903
1
26564
108
ALA
N
133.904
1
16096
18
ALA
N
133.912
1
5382
161
ALA
N
133.92
.
15564
79
ALA
N
133.921
1
25059
72
ALA
N
133.925
1
19783
105
ALA
N
133.927
1
18380
20
ALA
N
133.928
1
5182
63
ALA
N
133.93
1
5065
67
ALA
N
133.93
1
25801
71
ALA
N
133.938
1
16984
143
ALA
N
133.95
1
15322
167
ALA
N
133.95
1
30234
46
ALA
N
133.953
.
27174
113
ALA
N
133.964
1
16685
82
ALA
N
133.969
1
25711
150
ALA
N
133.969
1
19496
26
ALA
N
133.973
1
27160
158
ALA
N
133.975
1
11505
46
ALA
N
133.975
1
16014
67
ALA
N
133.983
.
16731
10
ALA
N
133.985
1
4242
71
ALA
N
134
1
5858
54
ALA
N
134
.
10010
76
ALA
N
134
1
6514
98
ALA
N
134
1
4101
185
ALA
N
134
1
5858
54
ALA
N
134
.
5858
54
ALA
N
134
.
5858
54
ALA
N
134
.
4704
55
ALA
N
134
1
5858
54
ALA
N
134
.
5858
54
ALA
N
134
.
16682
100
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
.
25713
150
ALA
N
134.035
1
25714
150
ALA
N
134.047
1
11109
88
ALA
N
134.057
1
34046
83
ALA
N
134.057
1
11108
77
ALA
N
134.085
1
27175
113
ALA
N
134.088
1
25381
114
ALA
N
134.098
1
30121
42
ALA
N
134.098
.
7089
68
ALA
N
134.12
1
25859
68
ALA
N
134.12
1
27403
158
ALA
N
134.143
1
25218
42
ALA
N
134.15
1
7009
56
ALA
N
134.169
.
25677
10
ALA
N
134.173
1
26615
92
ALA
N
134.18
1
16684
37
ALA
N
134.1856
1
4619
41
ALA
N
134.186
.
16668
161
ALA
N
134.19
1
19841
4
ALA
N
134.19
1
30002
138
ALA
N
134.194
1
6466
46
ALA
N
134.2
1
17250
12
ALA
N
134.2
1
15557
66
ALA
N
134.2
1
18142
28
ALA
N
134.201
1
25761
27
ALA
N
134.206
.
25338
192
ALA
N
134.222
1
15207
115
ALA
N
134.224
1
11210
38
ALA
N
134.23
1
6268
67
ALA
N
134.232
1
27043
143
ALA
N
134.237
1
15505
168
ALA
N
134.2493
1
5182
189
ALA
N
134.25
1
17507
86
ALA
N
134.25
1
18896
27
ALA
N
134.254
1
10141
46
ALA
N
134.267
1
25290
68
ALA
N
134.284
1
6111
105
ALA
N
134.29
1
5987
67
ALA
N
134.3
1
4309
81
ALA
N
134.3
1
6342
85
ALA
N
134.3
1
4242
79
ALA
N
134.3
1
4300
6
ALA
N
134.31
1
25267
163
ALA
N
134.31
1
19558
152
ALA
N
134.317
1
19840
4
ALA
N
134.327
1
27082
104
ALA
N
134.33
.
11333
30
ALA
N
134.335
1
18845
81
ALA
N
134.37
1
19605
27
ALA
N
134.373
1
5710
24
ALA
N
134.381
1
10159
61
ALA
N
134.382
1
25674
154
ALA
N
134.39
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
4964
37
ALA
N
134.4
1
7126
37
ALA
N
134.41
1
18193
24
ALA
N
134.415
1
11590
49
ALA
N
134.417
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
27192
158
ALA
N
134.49
1
5628
14
ALA
N
134.5
1
4395
94
ALA
N
134.5
1
27012
41
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
27013
41
ALA
N
134.524
1
26761
175
ALA
N
134.525
.
30161
12
ALA
N
134.535
.
19653
81
ALA
N
134.549
1
18001
33
ALA
N
134.6
1
17507
11
ALA
N
134.6
1
6128
70
ALA
N
134.6
1
5998
40
ALA
N
134.6
1
17597
63
ALA
N
134.6
1
4844
139
ALA
N
134.6
1
4901
109
ALA
N
134.61
1
27287
67
ALA
N
134.61
1
26615
92
ALA
N
134.63
1
18665
37
ALA
N
134.631
1
19256
119
ALA
N
134.6329
.
19066
119
ALA
N
134.651
1
19255
119
ALA
N
134.6773
.
19254
119
ALA
N
134.6773
.
27282
128
ALA
N
134.679
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
18896
31
ALA
N
134.726
1
7235
113
ALA
N
134.731
1
6016
53
ALA
N
134.735
1
26541
119
ALA
N
134.777
1
27381
46
ALA
N
134.797
1
5250
32
ALA
N
134.8
1
5505
53
ALA
N
134.8
1
27536
17
ALA
N
134.8
1
17549
20
ALA
N
134.82
1
18846
81
ALA
N
134.842
1
11530
48
ALA
N
134.843
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
26693
134
ALA
N
134.9
1
25885
84
ALA
N
134.916
1
4984
84
ALA
N
134.925
1
15248
167
ALA
N
134.938
1
11170
16
ALA
N
134.948
1
16403
38
ALA
N
134.98
1
4300
3
ALA
N
134.98
1
16634
132
ALA
N
135.06
1
30075
8
ALA
N
135.1
1
27729
159
ALA
N
135.109
.
16347
129
ALA
N
135.11
1
18741
133
ALA
N
135.138
1
27159
169
ALA
N
135.162
1
27298
106
ALA
N
135.198
1
4918
76
ALA
N
135.2
1
27241
106
ALA
N
135.232
1
4664
100
ALA
N
135.26
1
5949
48
ALA
N
135.3
1
5949
16
ALA
N
135.3
1
5948
16
ALA
N
135.3
1
10327
30
ALA
N
135.312
1
26927
127
ALA
N
135.315
1
7231
192
ALA
N
135.332
1
18610
46
ALA
N
135.359
1
19720
69
ALA
N
135.37
.
18479
146
ALA
N
135.38
1
5338
41
ALA
N
135.393
1
6195
41
ALA
N
135.4
.
6196
55
ALA
N
135.4
.
18749
21
ALA
N
135.406
1
25789
45
ALA
N
135.414
1
15924
65
ALA
N
135.415
1
19721
69
ALA
N
135.45
.
19722
69
ALA
N
135.45
.
27033
179
ALA
N
135.474
1
26933
128
ALA
N
135.481
1
10309
16
ALA
N
135.503
1
19490
50
ALA
N
135.518
1
7286
144
ALA
N
135.524
1
19005
14
ALA
N
135.53
1
19004
8
ALA
N
135.58
1
27602
87
ALA
N
135.59
1
5948
48
ALA
N
135.6
1
15496
63
ALA
N
135.6
1
11513
33
ALA
N
135.602
1
11514
28
ALA
N
135.602
1
34007
19
ALA
N
135.621
1
6620
195
ALA
N
135.654
1
4271
118
ALA
N
135.66
1
11591
33
ALA
N
135.712
1
25230
48
ALA
N
135.791
1
4704
170
ALA
N
135.8
1
17944
14
ALA
N
135.8
1
4705
170
ALA
N
135.814
1
19051
66
ALA
N
135.825
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
18798
165
ALA
N
136.108
1
25267
51
ALA
N
136.12
1
17607
83
ALA
N
136.152
1
18799
165
ALA
N
136.222
1
5793
138
ALA
N
136.31
1
4969
40
ALA
N
136.341
1
4309
68
ALA
N
136.4
1
27078
60
ALA
N
136.5
1
18837
54
ALA
N
136.529
1
11514
33
ALA
N
136.562
1
18989
14
ALA
N
136.6
1
15208
30
ALA
N
136.626
1
27078
60
ALA
N
136.7
1
6416
143
ALA
N
136.78
.
2573
46
ALA
N
136.8
1
26054
7
ALA
N
136.8541
1
18200
113
ALA
N
136.878
1
16881
12
ALA
N
136.9
1
26936
39
ALA
N
136.931
1
26937
39
ALA
N
136.952
1
19330
116
ALA
N
137.05
1
4101
142
ALA
N
137.2
1
26805
168
ALA
N
137.333
.
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
19208
281
ALA
N
138.006
1
4242
36
ALA
N
138.5
1
5514
226
ALA
N
138.79
1
25576
86
ALA
N
139.307
1
16611
72
ALA
N
139.354
1
6304
75
ALA
N
139.516
1
27602
30
ALA
N
140.636
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
27664
46
ALA
N
100.082
.
5547
89
ALA
N
100.1
1
25973
46
ALA
N
100.596
.
18850
90
ALA
N
100.62
1
25972
46
ALA
N
101.024
.
17596
16
ALA
N
101.269
1
26745
111
ALA
N
101.4
1
27314
27
ALA
N
101.478
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
27573
84
ALA
N
104.649
1
25700
23
ALA
N
104.959
.
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
36175
38
ALA
N
106.389
.
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
30021
2
ALA
N
106.83
1
17647
105
ALA
N
107.088
1
6261
47
ALA
N
107.32
1
6181
95
ALA
N
107.38
1
15337
8
ALA
N
107.523
1
19253
3
ALA
N
107.641
.
19253
3
ALA
N
107.641
.
4376
12
ALA
N
108.02
1
27519
41
ALA
N
108.1
1
26651
5
ALA
N
108.198
1
26652
5
ALA
N
108.2
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
27244
129
ALA
N
108.72
1
6476
46
ALA
N
108.875
1
6476
2
ALA
N
108.894
1
5797
63
ALA
N
108.9
1
26042
83
ALA
N
108.96
1
26043
83
ALA
N
108.96
1
6555
82
ALA
N
109.01
1
5567
96
ALA
N
109.02
1
4344
65
ALA
N
109.3
1
27526
209
ALA
N
109.336
.
5567
61
ALA
N
109.37
1
16710
21
ALA
N
109.5
1
11547
46
ALA
N
109.724
1
27160
173
ALA
N
109.766
1
27404
173
ALA
N
109.9
1
4836
186
ALA
N
110.04
1
6456
23
ALA
N
110.05
1
5300
130
ALA
N
110.2
1
27403
173
ALA
N
110.296
1
16847
6
ALA
N
110.408
1
18276
36
ALA
N
110.48
.
6228
16
ALA
N
110.537
1
25744
50
ALA
N
110.593
1
5344
37
ALA
N
110.6
1
25685
128
ALA
N
110.603
1
18761
55
ALA
N
110.61
1
16694
121
ALA
N
110.633
.
5234
92
ALA
N
110.8
1
4281
29
ALA
N
110.84
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
25437
112
ALA
N
111.448
.
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
27446
95
ALA
N
111.888
1
6125
176
ALA
N
111.9
1
27716
5
ALA
N
111.949
1
27715
5
ALA
N
111.956
1
27717
5
ALA
N
111.961
1
27714
5
ALA
N
111.969
1
27713
5
ALA
N
111.998
1
16123
103
ALA
N
112.1
1
27089
66
ALA
N
112.132
1
16464
222
ALA
N
112.15
1
27022
241
ALA
N
112.156
1
18477
159
ALA
N
112.176
1
4091
144
ALA
N
112.2
1
26607
104
ALA
N
112.2
1
15082
104
ALA
N
112.241
1
5316
236
ALA
N
112.279
1
25657
33
ALA
N
112.305
1
16957
92
ALA
N
112.345
1
19477
65
ALA
N
112.351
1
25601
46
ALA
N
112.377
.
30426
51
ALA
N
112.4384
1
30425
51
ALA
N
112.4384
1
27192
152
ALA
N
112.467
1
25601
46
ALA
N
112.473
.
27859
116
ALA
N
112.5
.
25532
237
ALA
N
112.526
1
16957
92
ALA
N
112.531
1
19264
105
ALA
N
112.554
.
19261
105
ALA
N
112.574
.
1584
110
ALA
N
112.6
1
18000
163
ALA
N
112.61
1
17536
72
ALA
N
112.644
1
15208
68
ALA
N
112.644
1
26883
153
ALA
N
112.7
1
1583
110
ALA
N
112.7
1
1582
116
ALA
N
112.7
1
30425
102
ALA
N
112.7252
1
30426
102
ALA
N
112.7252
1
25048
51
ALA
N
112.73
1
11441
126
ALA
N
112.755
1
15901
103
ALA
N
112.761
1
18868
87
ALA
N
112.78
1
18868
2
ALA
N
112.78
1
16325
20
ALA
N
112.78
1
18887
64
ALA
N
112.79
.
4856
76
ALA
N
112.8
1
4856
76
ALA
N
112.8
1
26608
133
ALA
N
112.805
1
11531
53
ALA
N
112.833
.
18788
109
ALA
N
112.9
1
6790
1
ALA
N
98.053
1