GLY CA Chemical Shift Outliers

___________________________________________________
GLY CA Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
70627
45.377
2.2
344.994
2.221


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
25442
20
GLY
CA
344.168
.
25442
26
GLY
CA
344.994
.
7357
91
GLY
CA
52.306
1
27108
60
GLY
CA
52.475
.
18760
174
GLY
CA
52.595
.
7357
4
GLY
CA
52.721
1
19239
63
GLY
CA
52.862
1
25693
2
GLY
CA
52.881
1
26512
94
GLY
CA
53.2
1
15120
65
GLY
CA
53.3
.
16729
181
GLY
CA
53.395
1
27466
85
GLY
CA
53.485
1
11147
4
GLY
CA
53.511
1
5081
70
GLY
CA
53.805
1
27108
27
GLY
CA
53.958
.
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
19854
44
GLY
CA
54.579
1
19852
44
GLY
CA
54.579
1
25554
44
GLY
CA
54.579
1
16729
220
GLY
CA
54.765
1
19458
104
GLY
CA
55.2342
.
16265
75
GLY
CA
55.4
1
4099
22
GLY
CA
55.41
1
30399
1
GLY
CA
55.456
.
27191
171
GLY
CA
55.5911
1
15120
121
GLY
CA
55.8
.
19458
78
GLY
CA
55.8281
.
27191
18
GLY
CA
55.9643
1
19473
1
GLY
CA
56.247
1
19472
1
GLY
CA
56.247
1
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
19458
101
GLY
CA
56.8893
.
4232
50
GLY
CA
56.94
1
16729
94
GLY
CA
56.985
1
17626
71
GLY
CA
57
1
25930
5
GLY
CA
57.381
1
16729
151
GLY
CA
57.403
1
11453
6
GLY
CA
57.515
1
27106
130
GLY
CA
57.691
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
69
GLY
CA
58.16
1
16750
44
GLY
CA
58.16
1
16750
69
GLY
CA
58.2
1
16750
66
GLY
CA
58.2
1
16750
44
GLY
CA
58.21
1
16750
18
GLY
CA
58.21
1
16750
66
GLY
CA
58.21
1
16750
69
GLY
CA
58.22
1
16750
18
GLY
CA
58.22
1
16750
44
GLY
CA
58.23
1
16750
66
GLY
CA
58.28
1
16750
69
GLY
CA
58.28
1
16750
18
GLY
CA
58.29
1
16750
44
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
18
GLY
CA
58.33
1
16750
66
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
11453
29
GLY
CA
59.058
1
19458
112
GLY
CA
59.771
.
27191
87
GLY
CA
60.0822
1
16729
251
GLY
CA
60.678
1
16544
1
GLY
CA
60.91
1
19458
103
GLY
CA
61.2707
.
27611
9
GLY
CA
61.276
1
16729
270
GLY
CA
61.854
1
19458
130
GLY
CA
61.9159
.
19844
74
GLY
CA
62.3699
.
19458
91
GLY
CA
62.923
.
19458
70
GLY
CA
64.6663
.
17016
83
GLY
CA
67.77
1
4759
82
GLY
CA
67.8
1
4759
64
GLY
CA
68.7
1
25382
1
GLY
CA
71.841
.
25382
53
GLY
CA
72.154
.
25382
76
GLY
CA
72.789
.
25382
65
GLY
CA
73.464
.
25382
17
GLY
CA
73.92
.
25382
86
GLY
CA
74.178
.
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
19063
22
GLY
CA
33.148
.
19063
41
GLY
CA
34.116
.
19063
61
GLY
CA
34.876
.
19063
55
GLY
CA
35.36
.
19063
80
GLY
CA
35.429
.
19063
85
GLY
CA
35.429
.
19063
59
GLY
CA
35.498
.
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
19063
84
GLY
CA
36.88
.
4431
97
GLY
CA
37.4
1
5828
29
GLY
CA
37.44
1
25908
29
GLY
CA
37.45
.
17847
29
GLY
CA
37.52
1
4431
75
GLY
CA
37.7
1
25701
134
GLY
CA
37.77
1
25640
29
GLY
CA
37.77
1
16884
24
GLY
CA
37.8
1
17845
34
GLY
CA
37.93
1
25379
27
GLY
CA
38.032
1
5005
38
GLY
CA
38.1
1
6586
4
GLY
CA
38.119
1
10137
118
GLY
CA
38.457
1
19063
79
GLY
CA
38.47
.
16884
8
GLY
CA
38.5
1
25869
29
GLY
CA
38.585
1