GLY CA Chemical Shift Outliers

___________________________________________________
GLY CA Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
45625
45.381
2.2
108.3
1.656


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
15853
73
GLY
CA
106
1
15380
41
GLY
CA
108.3
1
5618
24
GLY
CA
50.39
1
17853
196
GLY
CA
50.399
1
6232
61
GLY
CA
50.406
1
11159
70
GLY
CA
50.414
1
18542
3
GLY
CA
50.82
1
16729
175
GLY
CA
51.406
1
16121
37
GLY
CA
51.421
1
6276
119
GLY
CA
51.44
1
15210
37
GLY
CA
51.603
1
4087
95
GLY
CA
51.7
1
18941
12
GLY
CA
51.97
1
7357
91
GLY
CA
52.306
1
18760
174
GLY
CA
52.595
.
7357
4
GLY
CA
52.721
1
19239
63
GLY
CA
52.862
1
15120
65
GLY
CA
53.3
.
16729
181
GLY
CA
53.395
1
11147
4
GLY
CA
53.511
1
5081
70
GLY
CA
53.805
1
16729
275
GLY
CA
53.971
1
4111
151
GLY
CA
54
1
16967
2
GLY
CA
54.08
1
16729
184
GLY
CA
54.539
1
16729
220
GLY
CA
54.765
1
16265
75
GLY
CA
55.4
1
4099
22
GLY
CA
55.41
1
15120
121
GLY
CA
55.8
.
4232
35
GLY
CA
56.52
1
4330
56
GLY
CA
56.685
.
17626
52
GLY
CA
56.73
1
16729
293
GLY
CA
56.799
1
4232
34
GLY
CA
56.81
1
4232
71
GLY
CA
56.84
1
4232
50
GLY
CA
56.94
1
16729
94
GLY
CA
56.985
1
17626
71
GLY
CA
57
1
16729
151
GLY
CA
57.403
1
4232
33
GLY
CA
57.82
1
16015
1
GLY
CA
57.879
1
4232
69
GLY
CA
58
1
17626
58
GLY
CA
58.06
1
16750
66
GLY
CA
58.16
1
16750
18
GLY
CA
58.16
1
16750
44
GLY
CA
58.16
1
16750
69
GLY
CA
58.16
1
16750
69
GLY
CA
58.2
1
16750
66
GLY
CA
58.2
1
16750
66
GLY
CA
58.21
1
16750
18
GLY
CA
58.21
1
16750
44
GLY
CA
58.21
1
16750
18
GLY
CA
58.22
1
16750
69
GLY
CA
58.22
1
16750
44
GLY
CA
58.23
1
16750
69
GLY
CA
58.28
1
16750
66
GLY
CA
58.28
1
16750
44
GLY
CA
58.29
1
16750
18
GLY
CA
58.29
1
16750
44
GLY
CA
58.31
1
16750
44
GLY
CA
58.32
1
16750
18
GLY
CA
58.32
1
16750
66
GLY
CA
58.33
1
16750
18
GLY
CA
58.33
1
16750
66
GLY
CA
58.34
1
16750
69
GLY
CA
58.34
1
16750
69
GLY
CA
58.34
1
16729
249
GLY
CA
58.36
1
16131
39
GLY
CA
58.392
1
16750
55
GLY
CA
58.4
1
16750
55
GLY
CA
58.44
1
16750
55
GLY
CA
58.46
1
16750
55
GLY
CA
58.46
1
16750
55
GLY
CA
58.49
1
16750
55
GLY
CA
58.49
1
16729
146
GLY
CA
58.606
1
16130
39
GLY
CA
58.666
1
4232
43
GLY
CA
58.98
1
16729
251
GLY
CA
60.678
1
16544
1
GLY
CA
60.91
1
16729
270
GLY
CA
61.854
1
17016
83
GLY
CA
67.77
1
4759
82
GLY
CA
67.8
1
4759
64
GLY
CA
68.7
1
16318
39
GLY
CA
74.671
1
15877
3
GLY
CA
75.465
1
15877
4
GLY
CA
75.674
1
4150
103
GLY
CA
85.101
.
4150
90
GLY
CA
85.188
.
4150
92
GLY
CA
85.492
.
5179
24
GLY
CA
92.18
.
5179
41
GLY
CA
92.58
.
5179
33
GLY
CA
92.68
.
5179
34
GLY
CA
92.88
.
5179
12
GLY
CA
92.98
.
5179
67
GLY
CA
93.48
.
5179
58
GLY
CA
93.88
.
5179
30
GLY
CA
94.48
.
6026
48
GLY
CA
95.1
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
5626
1
GLY
CA
2.2
1
1734
24
GLY
CA
28.4
1
4431
114
GLY
CA
35.5
1
6586
1
GLY
CA
35.781
1
15826
49
GLY
CA
36.09
1
16549
60
GLY
CA
36.276
1
1736
29
GLY
CA
36.7
1
4153
83
GLY
CA
36.96
1
4431
97
GLY
CA
37.4
1
5828
29
GLY
CA
37.44
1
17847
29
GLY
CA
37.52
1
4431
75
GLY
CA
37.7
1
16884
24
GLY
CA
37.8
1
17845
34
GLY
CA
37.93
1
5005
38
GLY
CA
38.1
1
6586
4
GLY
CA
38.119
1
10137
118
GLY
CA
38.457
1
16884
8
GLY
CA
38.5
1
11038
50
GLY
CA
39.078
1
5590
49
GLY
CA
39.12
1
15739
35
GLY
CA
39.163
1
4431
83
GLY
CA
39.2
1
17236
31
GLY
CA
39.3
1
16884
36
GLY
CA
39.3
1
17456
4
GLY
CA
39.345
1
17529
20
GLY
CA
39.511
1
4777
27
GLY
CA
39.6
1
1404
29
GLY
CA
39.7
1
6586
21
GLY
CA
39.748
1
7414
150
GLY
CA
39.79
1
16884
1
GLY
CA
39.8
1
18388
100
GLY
CA
39.866
1
16108
64
GLY
CA
39.885
1
16884
11
GLY
CA
39.9
1
16984
141
GLY
CA
39.901
1
6073
85
GLY
CA
39.93
.
6586
123
GLY
CA
39.96
1
5752
46
GLY
CA
39.961
1
18509
41
GLY
CA
40.054
1
18708
41
GLY
CA
40.054
1
18760
128
GLY
CA
40.064
.
17529
11
GLY
CA
40.09
1
16884
56
GLY
CA
40.1
1
16708
21
GLY
CA
40.1
1
16884
75
GLY
CA
40.1
1
4858
23
GLY
CA
40.1
1
15578
74
GLY
CA
40.107
1
18389
100
GLY
CA
40.109
1
15578
123
GLY
CA
40.113
1
18708
150
GLY
CA
40.12
1
18509
150
GLY
CA
40.12
1
5514
20
GLY
CA
40.14
1
6586
109
GLY
CA
40.173
1
7218
110
GLY
CA
40.178
.
17456
11
GLY
CA
40.181
1
15578
322
GLY
CA
40.186
1
17700
92
GLY
CA
40.2
1
17456
58
GLY
CA
40.2
1
6444
74
GLY
CA
40.23
.
16002
14
GLY
CA
40.24
1
16164
106
GLY
CA
40.25
1
5514
35
GLY
CA
40.25
1
5514
10
GLY
CA
40.27
1
4301
127
GLY
CA
40.3
1
17144
28
GLY
CA
40.3
1
4202
73
GLY
CA
40.3
1
16984
104
GLY
CA
40.312
1
6903
62
GLY
CA
40.324
1
17456
48
GLY
CA
40.326
1
5514
189
GLY
CA
40.33
1
16108
164
GLY
CA
40.377
1
16108
234
GLY
CA
40.377
1
5514
104
GLY
CA
40.38
1
5514
134
GLY
CA
40.39
1
6904
62
GLY
CA
40.39
1
5547
18
GLY
CA
40.4
1