GLY CA Chemical Shift Outliers

___________________________________________________
GLY CA Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
34303
45.365
35.781
57.879
1.273


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
17910
47
GLY
CA
49.2
1
15955
138
GLY
CA
49.2
1
16451
158
GLY
CA
49.2
1
16464
158
GLY
CA
49.2
1
17927
43
GLY
CA
49.204
1
17242
38
GLY
CA
49.232
1
18291
101
GLY
CA
49.2331
1
16992
109
GLY
CA
49.241
1
5267
91
GLY
CA
49.26
1
5974
75
GLY
CA
49.267
1
17653
57
GLY
CA
49.27
1
7108
30
GLY
CA
49.28
1
17300
43
GLY
CA
49.294
1
16216
33
GLY
CA
49.3
1
4580
73
GLY
CA
49.3
1
18294
101
GLY
CA
49.314
1
15986
36
GLY
CA
49.33
1
17286
96
GLY
CA
49.355
1
11466
165
GLY
CA
49.357
1
17653
57
GLY
CA
49.37
1
11441
165
GLY
CA
49.383
1
17656
70
GLY
CA
49.4
1
4335
101
GLY
CA
49.4
1
4101
148
GLY
CA
49.4
1
18253
70
GLY
CA
49.4
1
4309
11
GLY
CA
49.4
1
7418
33
GLY
CA
49.428
1
6540
12
GLY
CA
49.434
1
17498
25
GLY
CA
49.444
1
15986
80
GLY
CA
49.46
1
18682
86
GLY
CA
49.517
.
18249
112
GLY
CA
49.554
1
17525
69
GLY
CA
49.556
1
4323
59
GLY
CA
49.627
1
18775
46
GLY
CA
49.631
1
18774
46
GLY
CA
49.633
1
15795
36
GLY
CA
49.637
1
5701
77
GLY
CA
49.646
1
5567
65
GLY
CA
49.69
1
7425
33
GLY
CA
49.732
1
6705
94
GLY
CA
49.833
.
4788
33
GLY
CA
49.91
1
10267
96
GLY
CA
49.944
1
19377
61
GLY
CA
49.98
1
11013
112
GLY
CA
50.06
1
15703
75
GLY
CA
50.276
1
19008
3
GLY
CA
50.332
1
17853
196
GLY
CA
50.399
1
11159
70
GLY
CA
50.414
1
18542
3
GLY
CA
50.82
1
16121
37
GLY
CA
51.421
1
6276
119
GLY
CA
51.44
1
15210
37
GLY
CA
51.603
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
15120
65
GLY
CA
53.3
.
4111
151
GLY
CA
54
1
16265
75
GLY
CA
55.4
1
4099
22
GLY
CA
55.41
1
15120
121
GLY
CA
55.8
.
16015
1
GLY
CA
57.879
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
6586
1
GLY
CA
35.781
1
15826
49
GLY
CA
36.09
1
16549
60
GLY
CA
36.276
1
16884
24
GLY
CA
37.8
1
6586
4
GLY
CA
38.119
1
10137
118
GLY
CA
38.457
1
16884
8
GLY
CA
38.5
1
5590
49
GLY
CA
39.12
1
16884
36
GLY
CA
39.3
1
6586
21
GLY
CA
39.748
1
16884
1
GLY
CA
39.8
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
.
16884
75
GLY
CA
40.1
1
16884
56
GLY
CA
40.1
1
16708
21
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
15578
322
GLY
CA
40.186
1
17700
92
GLY
CA
40.2
1
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
16984
104
GLY
CA
40.312
1
6903
62
GLY
CA
40.324
1
5514
189
GLY
CA
40.33
1
5514
104
GLY
CA
40.38
1
6904
62
GLY
CA
40.39
1
5514
134
GLY
CA
40.39
1
5547
18
GLY
CA
40.4
1
18315
1
GLY
CA
40.427
1
18314
1
GLY
CA
40.427
1
16693
1
GLY
CA
40.46
1
16708
113
GLY
CA
40.5
1
18449
8
GLY
CA
40.52
1
10260
66
GLY
CA
40.534
1
7241
1
GLY
CA
40.57
1
15120
74
GLY
CA
40.6
.
17250
214
GLY
CA
40.66
1
5943
37
GLY
CA
40.66
1
18389
36
GLY
CA
40.698
1
7307
88
GLY
CA
40.7
1
16713
90
GLY
CA
40.718
1
6903
15
GLY
CA
40.745
1
16940
178
GLY
CA
40.76
1
6904
15
GLY
CA
40.78
1
16712
90
GLY
CA
40.809
1
5514
191
GLY
CA
40.81
1
6111
90
GLY
CA
40.87
1
17477
121
GLY
CA
40.872
1
17477
50
GLY
CA
40.872
1
6903
44
GLY
CA
40.873
1
16164
98
GLY
CA
40.875
1
6903
55
GLY
CA
40.884
1
18732
1
GLY
CA
40.894
1
10273
71
GLY
CA
40.896
1
15578
72
GLY
CA
40.898
1
11018
1
GLY
CA
40.9
1
5477
1
GLY
CA
40.9
1
11124
35
GLY
CA
40.913
1
17799
92
GLY
CA
40.929
1
18389
20
GLY
CA
40.94
1
17692
89
GLY
CA
40.95
1
16940
172
GLY
CA
40.95
1
17806
70
GLY
CA
40.969
1
16205
194
GLY
CA
40.973
1
15995
1
GLY
CA
41
1
6904
44
GLY
CA
41.02
1
18373
202
GLY
CA
41.02
1
5662
7
GLY
CA
41.02
.
5886
88
GLY
CA
41.03
1
6904
55
GLY
CA
41.03
1
11199
24
GLY
CA
41.035
1
16713
12
GLY
CA
41.037
1
6725
93
GLY
CA
41.04
1
15315
118
GLY
CA
41.041
1
6727
32
GLY
CA
41.056
1
18373
18
GLY
CA
41.071
1
4959
92
GLY
CA
41.075
1
17432
75
GLY
CA
41.08
1
5514
160
GLY
CA
41.08
1
11181
96
GLY
CA
41.082
1
7003
83
GLY
CA
41.095
1
18364
36
GLY
CA
41.099
1
5514
138
GLY
CA
41.11
1
16712
12
GLY
CA
41.117
1
15148
1
GLY
CA
41.124
1
7360
62
GLY
CA
41.13
1
16940
243
GLY
CA
41.14
1
16984
134
GLY
CA
41.154
1
6129
1
GLY
CA
41.18
.
11201
124
GLY
CA
41.186
1
11199
1
GLY
CA
41.188
1
18049
113
GLY
CA
41.193
1
15231
1
GLY
CA
41.195
1
16658
1
GLY
CA
41.195
1
18708
12
GLY
CA
41.2
1
5547
235
GLY
CA
41.2
1
18509
12
GLY
CA
41.2
1
16887
23
GLY
CA
41.2
1
5254
6
GLY
CA
41.2
1
5886
138
GLY
CA
41.22
1
18509
73
GLY
CA
41.221
1
18708
73
GLY
CA
41.221
1
16940
40
GLY
CA
41.23
1
16940
266
GLY
CA
41.23
1
5593
1
GLY
CA
41.24
1
5407
63
GLY
CA
41.248
.
18110
42
GLY
CA
41.25
1
6911
37
GLY
CA
41.25
1
10240
1
GLY
CA
41.261
1
5886
4
GLY
CA
41.27
1
4217
14
GLY
CA
41.27
1
18509
72
GLY
CA
41.274
1
18708
72
GLY
CA
41.274
1
15578
84
GLY
CA
41.277
1
18708
108
GLY
CA
41.287
1
18509
108
GLY
CA
41.287
1
6111
90
GLY
CA
41.3
1
16567
48
GLY
CA
41.3
1
17821
45
GLY
CA
41.3
1
15578
159
GLY
CA
41.313
1
6913
90
GLY
CA
41.318
1
6787
14
GLY
CA
41.32
1
7003
169
GLY
CA
41.326
1
16984
121
GLY
CA
41.338
1
11136
1
GLY
CA
41.338
1
6095
1
GLY
CA
41.34
1
17838
110
GLY
CA
41.34
1
11236
77
GLY
CA
41.346
1
11137
1
GLY
CA
41.347
1
11130
44
GLY
CA
41.349
1
4944
38
GLY
CA
41.35
1
5514
174
GLY
CA
41.35
1
11134
1
GLY
CA
41.35
1
6193
33
GLY
CA
41.351
1
7241
18
GLY
CA
41.36
1
15578
51
GLY
CA
41.364
1
15722
35
GLY
CA
41.366
1
18364
49
GLY
CA
41.367
1
11140
1
GLY
CA
41.373
1
15578
268
GLY
CA
41.374
1
11146
85
GLY
CA
41.375
1
11133
1
GLY
CA
41.382
1
17706
72
GLY
CA
41.382
1
5254
11
GLY
CA
41.39
1
11143
1
GLY
CA
41.391
1
11139
33
GLY
CA
41.392
1
16708
142
GLY
CA
41.4
1
5547
243
GLY
CA
41.4
1
16884
79
GLY
CA
41.4
1
15200
117
GLY
CA
41.4
1
15200
18
GLY
CA
41.4
1
6912
89
GLY
CA
41.4
1
17700
51
GLY
CA
41.4
1
11141
1
GLY
CA
41.405
1
11139
1
GLY
CA
41.409
1
11135
1
GLY
CA
41.413
1
10260
40
GLY
CA
41.415
1
16002
11
GLY
CA
41.42
1
16719
57
GLY
CA
41.424
1
11125
1
GLY
CA
41.426
1
11142
1
GLY
CA
41.429
1
5514
91
GLY
CA
41.45
1
5180
46
GLY
CA
41.45
.
17596
58
GLY
CA
41.451
1
16940
225
GLY
CA
41.46
1
6875
74
GLY
CA
41.46
1
4424
1
GLY
CA
41.46
1
18534
52
GLY
CA
41.47
1
4902
61
GLY
CA
41.47
1
6193
39
GLY
CA
41.479
1
11145
1
GLY
CA
41.485
1
6903
64
GLY
CA
41.49
1
7003
163
GLY
CA
41.491
1
17477
104
GLY
CA
41.497
1
6903
73
GLY
CA
41.498
1
15820
48
GLY
CA
41.498
.
4047
82
GLY
CA
41.5
1
16164
80
GLY
CA
41.5
1
16164
91
GLY
CA
41.5
1
16708
40
GLY
CA
41.5
1
16164
60
GLY
CA
41.5
1
1642
43
GLY
CA
41.5
1
16164
97
GLY
CA
41.5
1
18734
61
GLY
CA
41.504
1
17289
31
GLY
CA
41.51
1
5886
155
GLY
CA
41.51
1
18205
40
GLY
CA
41.51
1
16205
28
GLY
CA
41.514
1
18292
42
GLY
CA
41.518
1
19203
40
GLY
CA
41.52
1
11132
1
GLY
CA
41.527
1
5886
425
GLY
CA
41.53
1
17781
79
GLY
CA
41.536
1
11084
35
GLY
CA
41.538
1
6193
87
GLY
CA
41.538
1