ALA N Chemical Shift Outliers

___________________________________________________
ALA N Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
18026
123.187
77.1
142.81
3.595


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
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
.
5858
54
ALA
N
134
.
10010
76
ALA
N
134
1
6514
98
ALA
N
134
1
5858
54
ALA
N
134
.
5858
54
ALA
N
134
.
5858
54
ALA
N
134
.
5858
54
ALA
N
134
.
4101
185
ALA
N
134
1
4704
55
ALA
N
134
1
5858
54
ALA
N
134
.
6995
152
ALA
N
134.02
1
4705
55
ALA
N
134.031
1
7089
68
ALA
N
134.12
1
7009
56
ALA
N
134.169
.
4619
41
ALA
N
134.186
.
6466
46
ALA
N
134.2
1
15207
115
ALA
N
134.224
1
6268
67
ALA
N
134.232
1
5182
189
ALA
N
134.25
1
6111
105
ALA
N
134.29
1
6342
85
ALA
N
134.3
1
4309
81
ALA
N
134.3
1
5987
67
ALA
N
134.3
1
4300
6
ALA
N
134.31
1
5710
24
ALA
N
134.381
1
5887
91
ALA
N
134.4
1
5505
104
ALA
N
134.4
1
5888
91
ALA
N
134.4
1
7126
37
ALA
N
134.41
1
4395
94
ALA
N
134.5
1
5628
14
ALA
N
134.5
1
6345
47
ALA
N
134.507
.
4844
139
ALA
N
134.6
1
6128
70
ALA
N
134.6
1
5998
40
ALA
N
134.6
1
4901
109
ALA
N
134.61
1
5692
35
ALA
N
134.69
1
4070
70
ALA
N
134.7
1
7235
113
ALA
N
134.731
1
6016
53
ALA
N
134.735
1
5250
32
ALA
N
134.8
1
5505
53
ALA
N
134.8
1
4321
80
ALA
N
134.84
1
15627
22
ALA
N
134.852
1
5514
154
ALA
N
134.86
1
5209
162
ALA
N
134.87
1
15248
167
ALA
N
134.938
1
4300
3
ALA
N
134.98
1
7259
12
ALA
N
135.199
1
4918
76
ALA
N
135.2
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
6391
69
ALA
N
135.32
1
7231
192
ALA
N
135.332
1
5117
24
ALA
N
135.341
1
5338
41
ALA
N
135.393
1
6196
55
ALA
N
135.4
.
6195
41
ALA
N
135.4
.
7286
144
ALA
N
135.524
1
15496
63
ALA
N
135.6
1
5948
48
ALA
N
135.6
1
6620
190
ALA
N
135.654
1
4271
118
ALA
N
135.66
1
4704
170
ALA
N
135.8
1
4705
170
ALA
N
135.814
1
5514
179
ALA
N
135.83
1
6542
281
ALA
N
136.1
1
6443
147
ALA
N
136.2
1
5793
138
ALA
N
136.31
1
4969
40
ALA
N
136.341
1
4309
68
ALA
N
136.4
1
6416
143
ALA
N
136.78
.
2573
46
ALA
N
136.8
1
4101
142
ALA
N
137.2
1
5194
133
ALA
N
137.945
1
5514
226
ALA
N
138.79
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
6111
105
ALA
N
104.07
1
6362
59
ALA
N
104.488
1
7002
46
ALA
N
104.64
1
4929
15
ALA
N
105.49
1
5861
18
ALA
N
106
1
5306
69
ALA
N
106.265
.
5788
69
ALA
N
106.55
1
5689
56
ALA
N
106.625
1
5744
140
ALA
N
106.799
1
5349
82
ALA
N
106.8
1
6261
47
ALA
N
107.32
1
6181
95
ALA
N
107.38
1
4376
12
ALA
N
108.02
1
5247
88
ALA
N
108.481
1
6312
12
ALA
N
108.796
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
4344
65
ALA
N
109.3
1
5567
61
ALA
N
109.37
1
5117
25
ALA
N
109.481
1
6478
31
ALA
N
109.56
1
4836
186
ALA
N
110.04
1
6456
23
ALA
N
110.05
1
6228
16
ALA
N
110.162
1
5300
130
ALA
N
110.2
1
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
6143
29
ALA
N
111.068
1
5900
4
ALA
N
111.1
1
6826
29
ALA
N
111.534
1
4977
4
ALA
N
111.54
1
4848
104
ALA
N
111.59
.
6125
176
ALA
N
111.9
1
4091
144
ALA
N
112.2
1
15082
104
ALA
N
112.241
1
5316
236
ALA
N
112.279
1
6348
1
ALA
N
77.1
.
6790
1
ALA
N
98.053
1