GLY CA Chemical Shift Outliers

___________________________________________________
GLY CA Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
15462
45.331
35.5
55.8
1.318


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
4580
73
GLY
CA
49.3
1
4101
148
GLY
CA
49.4
1
4309
11
GLY
CA
49.4
1
4335
101
GLY
CA
49.4
1
6540
12
GLY
CA
49.434
1
4323
59
GLY
CA
49.627
1
5701
77
GLY
CA
49.646
1
5567
65
GLY
CA
49.69
1
6705
94
GLY
CA
49.833
.
4788
33
GLY
CA
49.91
1
6276
119
GLY
CA
51.44
1
15210
37
GLY
CA
51.603
1
7357
91
GLY
CA
52.306
1
7357
4
GLY
CA
52.721
1
15120
65
GLY
CA
53.3
.
4111
151
GLY
CA
54
1
4099
22
GLY
CA
55.41
1
4099
22
GLY
CA
55.41
1
15120
121
GLY
CA
55.8
.


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
4431
114
GLY
CA
35.5
1
6586
1
GLY
CA
35.781
1
4431
97
GLY
CA
37.4
1
4431
75
GLY
CA
37.7
1
6586
4
GLY
CA
38.119
1
10137
118
GLY
CA
38.457
1
5590
49
GLY
CA
39.12
1
4431
83
GLY
CA
39.2
1
6586
21
GLY
CA
39.748
1
6073
85
GLY
CA
39.93
.
6586
123
GLY
CA
39.96
1
5752
46
GLY
CA
39.961
1
4858
23
GLY
CA
40.1
1
5514
20
GLY
CA
40.14
1
6586
109
GLY
CA
40.173
1
5514
35
GLY
CA
40.25
1
5514
10
GLY
CA
40.27
1
6903
62
GLY
CA
40.324
1
5514
189
GLY
CA
40.33
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
7308
88
GLY
CA
40.5
1
7241
1
GLY
CA
40.57
1
15120
74
GLY
CA
40.6
.
7351
94
GLY
CA
40.654
1
5943
37
GLY
CA
40.66
1
6850
1
GLY
CA
40.697
1
7307
88
GLY
CA
40.7
1
6903
15
GLY
CA
40.745
1
6904
15
GLY
CA
40.78
1
5514
191
GLY
CA
40.81
1
7112
88
GLY
CA
40.857
1
6111
90
GLY
CA
40.87
1
6903
44
GLY
CA
40.873
1
6903
55
GLY
CA
40.884
1
11018
1
GLY
CA
40.9
1
5477
1
GLY
CA
40.9
1
6904
44
GLY
CA
41.02
1
5662
7
GLY
CA
41.02
.
6904
55
GLY
CA
41.03
1
5886
88
GLY
CA
41.03
1
6725
93
GLY
CA
41.04
1
15315
118
GLY
CA
41.041
1
6727
32
GLY
CA
41.056
1
4959
92
GLY
CA
41.075
1
5514
160
GLY
CA
41.08
1
7003
83
GLY
CA
41.095
1
5514
138
GLY
CA
41.11
1
15148
1
GLY
CA
41.124
1
4116
82
GLY
CA
41.13
1
7360
62
GLY
CA
41.13
1
6129
1
GLY
CA
41.18
.
6190
80
GLY
CA
41.18
.
5547
235
GLY
CA
41.2
1
5254
6
GLY
CA
41.2
1
11001
146
GLY
CA
41.2
1
5929
37
GLY
CA
41.2
1
5886
138
GLY
CA
41.22
1
5593
1
GLY
CA
41.24
1
5407
63
GLY
CA
41.248
.
6911
37
GLY
CA
41.25
1
11020
45
GLY
CA
41.269
1
4217
14
GLY
CA
41.27
1
5886
4
GLY
CA
41.27
1
11001
116
GLY
CA
41.3
1
6111
90
GLY
CA
41.3
1
6787
14
GLY
CA
41.32
1
7003
169
GLY
CA
41.326
1
6095
1
GLY
CA
41.34
1
4944
38
GLY
CA
41.35
1
5514
174
GLY
CA
41.35
1
6193
33
GLY
CA
41.351
1
7241
18
GLY
CA
41.36
1