GLY CA Chemical Shift Outliers

___________________________________________________
GLY CA Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
54617
45.365
33.148
61.276
1.298


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
19392
81
GLY
CA
49.264
.
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
27232
22
GLY
CA
49.3
1
4580
73
GLY
CA
49.3
1
16216
33
GLY
CA
49.3
1
18294
101
GLY
CA
49.314
1
26769
72
GLY
CA
49.319
1
19801
87
GLY
CA
49.321
1
15986
36
GLY
CA
49.33
1
27602
105
GLY
CA
49.347
1
27691
78
GLY
CA
49.351
1
17286
96
GLY
CA
49.355
1
11466
165
GLY
CA
49.357
1
19584
49
GLY
CA
49.37
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
4309
11
GLY
CA
49.4
1
4101
148
GLY
CA
49.4
1
18253
70
GLY
CA
49.4
1
7418
33
GLY
CA
49.428
1
30100
93
GLY
CA
49.428
.
6540
12
GLY
CA
49.434
1
17498
25
GLY
CA
49.444
1
15986
80
GLY
CA
49.46
1
26890
51
GLY
CA
49.466
1
27232
51
GLY
CA
49.5
1
16123
49
GLY
CA
49.5
1
19413
70
GLY
CA
49.507
1
18682
86
GLY
CA
49.517
.
18249
112
GLY
CA
49.554
1
17525
69
GLY
CA
49.556
1
27211
20
GLY
CA
49.567
1
26791
64
GLY
CA
49.592
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
30100
27
GLY
CA
49.673
.
5567
65
GLY
CA
49.69
1
19342
18
GLY
CA
49.7
1
19342
7
GLY
CA
49.704
1
7425
33
GLY
CA
49.732
1
30100
102
GLY
CA
49.747
.
30100
33
GLY
CA
49.776
.
6705
94
GLY
CA
49.833
.
30100
125
GLY
CA
49.898
.
4788
33
GLY
CA
49.91
1
30021
94
GLY
CA
49.97
1
26926
106
GLY
CA
49.97
1
19377
61
GLY
CA
49.98
1
19282
67
GLY
CA
49.995
.
11013
112
GLY
CA
50.06
1
25178
39
GLY
CA
50.15
.
25178
15
GLY
CA
50.15
.
19589
183
GLY
CA
50.198
1
15703
75
GLY
CA
50.276
1
30193
3
GLY
CA
50.332
1
19008
3
GLY
CA
50.332
1
25535
93
GLY
CA
50.394
1
17853
196
GLY
CA
50.399
1
11159
70
GLY
CA
50.414
1
19819
93
GLY
CA
50.42
1
19819
93
GLY
CA
50.6
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
25693
2
GLY
CA
52.881
1
26512
94
GLY
CA
53.2
1
15120
65
GLY
CA
53.3
.
11147
4
GLY
CA
53.511
1
4111
151
GLY
CA
54
1
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
.
27191
18
GLY
CA
55.9643
1
19472
1
GLY
CA
56.247
1
19473
1
GLY
CA
56.247
1
25930
5
GLY
CA
57.381
1
27106
130
GLY
CA
57.691
1
16015
1
GLY
CA
57.879
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
66
GLY
CA
58.2
1
16750
69
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
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
18
GLY
CA
58.33
1
16750
66
GLY
CA
58.33
1
16750
69
GLY
CA
58.34
1
16750
66
GLY
CA
58.34
1
16750
69
GLY
CA
58.34
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
16130
39
GLY
CA
58.666
1
27191
87
GLY
CA
60.0822
1
16544
1
GLY
CA
60.91
1
27611
9
GLY
CA
61.276
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
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
.
6586
1
GLY
CA
35.781
1
15826
49
GLY
CA
36.09
1
16549
60
GLY
CA
36.276
1
19063
84
GLY
CA
36.88
.
25701
134
GLY
CA
37.77
1
16884
24
GLY
CA
37.8
1
6586
4
GLY
CA
38.119
1
19063
79
GLY
CA
38.47
.
16884
8
GLY
CA
38.5
1
25869
29
GLY
CA
38.585
1
5590
49
GLY
CA
39.12
1
16884
36
GLY
CA
39.3
1
26792
86
GLY
CA
39.4
1
18965
3
GLY
CA
39.4
1
25598
3
GLY
CA
39.407
.
26792
27
GLY
CA
39.7
1
6586
21
GLY
CA
39.748
1
16884
1
GLY
CA
39.8
1
26793
72
GLY
CA
39.8
1
11580
12
GLY
CA
39.805
1
25752
134
GLY
CA
39.82
1
27122
96
GLY
CA
39.83
.
26793
24
GLY
CA
39.9
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
26512
94
GLY
CA
40
1
26647
74
GLY
CA
40.02
1
25752
177
GLY
CA
40.02
1
18708
41
GLY
CA
40.054
1
18509
41
GLY
CA
40.054
1
18760
128
GLY
CA
40.064
.
19530
108
GLY
CA
40.08
.
16884
56
GLY
CA
40.1
1
4858
23
GLY
CA
40.1
1
16708
21
GLY
CA
40.1
1
16884
75
GLY
CA
40.1
1
18509
150
GLY
CA
40.12
1
18708
150
GLY
CA
40.12
1
5514
20
GLY
CA
40.14
1
6586
109
GLY
CA
40.173
1
25701
177
GLY
CA
40.175
1
17700
92
GLY
CA
40.2
1
26792
52
GLY
CA
40.2
1
26647
99
GLY
CA
40.22
1
16002
14
GLY
CA
40.24
1
25792
19
GLY
CA
40.243
.
5514
35
GLY
CA
40.25
1
16164
106
GLY
CA
40.25
1
5514
10
GLY
CA
40.27
1
27499
29
GLY
CA
40.281
1
26793
47
GLY
CA
40.3
1
26793
97
GLY
CA
40.3
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
5514
134
GLY
CA
40.39
1
6904
62
GLY
CA
40.39
1
26793
28
GLY
CA
40.4
1
5547
18
GLY
CA
40.4
1
19778
138
GLY
CA
40.406
.
18315
1
GLY
CA
40.427
1
18314
1
GLY
CA
40.427
1
16693
1
GLY
CA
40.46
1
18801
1
GLY
CA
40.498
.
7308
88
GLY
CA
40.5
1
16708
113
GLY
CA
40.5
1
36017
5
GLY
CA
40.5
1
26792
84
GLY
CA
40.5
1
25428
1
GLY
CA
40.513
.
26848
129
GLY
CA
40.517
1
18449
8
GLY
CA
40.52
1
25632
20
GLY
CA
40.526
.
34212
1
GLY
CA
40.527
.
10260
66
GLY
CA
40.534
1
7241
1
GLY
CA
40.57
1
26851
129
GLY
CA
40.579
1
19726
54
GLY
CA
40.579
1
25701
189
GLY
CA
40.58
1
25752
189
GLY
CA
40.59
1
36167
21
GLY
CA
40.6
1
26792
100
GLY
CA
40.6
1
15120
74
GLY
CA
40.6
.
25970
1
GLY
CA
40.618
.
11490
1
GLY
CA
40.638
1
17250
214
GLY
CA
40.66
1
5943
37
GLY
CA
40.66
1
7307
88
GLY
CA
40.7
1
26792
37
GLY
CA
40.7
1
25294
34
GLY
CA
40.707
.
16713
90
GLY
CA
40.718
1
6903
15
GLY
CA
40.745
1
25803
21
GLY
CA
40.748
1
16940
178
GLY
CA
40.76
1
6904
15
GLY
CA
40.78
1
26792
64
GLY
CA
40.8
1
27859
145
GLY
CA
40.8
.
25157
1
GLY
CA
40.8
1
36083
17
GLY
CA
40.8
1
16712
90
GLY
CA
40.809
1
5514
191
GLY
CA
40.81
1
27482
78
GLY
CA
40.827
1
19807
1
GLY
CA
40.854
1
25761
30
GLY
CA
40.858
.
26908
22
GLY
CA
40.86
1
6111
90
GLY
CA
40.87
1
17477
121
GLY
CA
40.872
1
17477
50
GLY
CA
40.872
1
18789
39
GLY
CA
40.873
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
25294
69
GLY
CA
40.899
.
5477
1
GLY
CA
40.9
1
11018
1
GLY
CA
40.9
1
27859
233
GLY
CA
40.9
.
11124
35
GLY
CA
40.913
1
19792
15
GLY
CA
40.913
.
17799
92
GLY
CA
40.929
1
25573
31
GLY
CA
40.9364
1
27089
28
GLY
CA
40.947
1
17692
89
GLY
CA
40.95
1
27338
15
GLY
CA
40.95
1
16940
172
GLY
CA
40.95
1
17806
70
GLY
CA
40.969
1
11580
11
GLY
CA
40.972
1
16205
194
GLY
CA
40.973
1
26851
187
GLY
CA
40.987
1
26647
30
GLY
CA
40.99
1
18789
13
GLY
CA
40.993
1
27859
98
GLY
CA
41
.
26793
62
GLY
CA
41
1
15995
1
GLY
CA
41
1
18373
202
GLY
CA
41.02
1
6904
44
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
27640
31
GLY
CA
41.032
1
26848
187
GLY
CA
41.034
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
5514
160
GLY
CA
41.08
1
17432
75
GLY
CA
41.08
1
11181
96
GLY
CA
41.082
1
25924
36
GLY
CA
41.094
.
7003
83
GLY
CA
41.095
1
27338
23
GLY
CA
41.097
1
18364
36
GLY
CA
41.099
1
30537
119
GLY
CA
41.1
1
27122
224
GLY
CA
41.107
.
5514
138
GLY
CA
41.11
1
19560
83
GLY
CA
41.113
1
16712
12
GLY
CA
41.117
1
15148
1
GLY
CA
41.124
1
30070
78
GLY
CA
41.127
1
7360
62
GLY
CA
41.13
1
4116
82
GLY
CA
41.13
1
16940
243
GLY
CA
41.14
1
16984
134
GLY
CA
41.154
1
19560
169
GLY
CA
41.16
1
25792
41
GLY
CA
41.161
.
6129
1
GLY
CA
41.18
.
11201
124
GLY
CA
41.186
1
11199
1
GLY
CA
41.188
1
25259
1
GLY
CA
41.191
1
19321
85
GLY
CA
41.193
1
18049
113
GLY
CA
41.193
1
15231
1
GLY
CA
41.195
1
16658
1
GLY
CA
41.195
1
5547
235
GLY
CA
41.2
1
27859
86
GLY
CA
41.2
.
16887
23
GLY
CA
41.2
1
18708
12
GLY
CA
41.2
1
5254
6
GLY
CA
41.2
1
18509
12
GLY
CA
41.2
1
27859
81
GLY
CA
41.2
.
25632
15
GLY
CA
41.206
.
19431
84
GLY
CA
41.219
1
5886
138
GLY
CA
41.22
1
18509
73
GLY
CA
41.221
1
18708
73
GLY
CA
41.221
1
19777
18
GLY
CA
41.222
.
16940
266
GLY
CA
41.23
1
16940
40
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
30375
65
GLY
CA
41.253
.
11086
1
GLY
CA
41.256
1
26851
232
GLY
CA
41.259
1
10240
1
GLY
CA
41.261
1
19778
164
GLY
CA
41.262
.
26848
232
GLY
CA
41.266
1
4217
14
GLY
CA
41.27
1
5886
4
GLY
CA
41.27
1
25420
29
GLY
CA
41.274
1
18509
72
GLY
CA
41.274
1
18708
72
GLY
CA
41.274
1
25792
131
GLY
CA
41.286
.
18509
108
GLY
CA
41.287
1
18708
108
GLY
CA
41.287
1
27667
97
GLY
CA
41.298
.
26756
152
GLY
CA
41.299
.
6111
90
GLY
CA
41.3
1
19777
152
GLY
CA
41.3
.
17821
45
GLY
CA
41.3
1
19776
152
GLY
CA
41.3
.
25752
203
GLY
CA
41.3
1
26792
40
GLY
CA
41.3
1
16567
48
GLY
CA
41.3
1
17704
58
GLY
CA
41.31
1
25701
203
GLY
CA
41.31
1
6913
90
GLY
CA
41.318
1
19560
163
GLY
CA
41.32
1
6787
14
GLY
CA
41.32
1
7003
169
GLY
CA
41.326
1
19777
146
GLY
CA
41.33
.
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
11137
1
GLY
CA
41.347
1
25793
28
GLY
CA
41.348
.
11130
44
GLY
CA
41.349
1
11134
1
GLY
CA
41.35
1
4944
38
GLY
CA
41.35
1
5514
174
GLY
CA
41.35
1
6193
33
GLY
CA
41.351
1
19431
69
GLY
CA
41.353
1
27508
65
GLY
CA
41.358
.
7241
18
GLY
CA
41.36
1
15960
68
GLY
CA
41.36
.
15722
35
GLY
CA
41.366
1
18364
49
GLY
CA
41.367
1
11140
1
GLY
CA
41.373
1
11146
85
GLY
CA
41.375
1
17704
19
GLY
CA
41.376
1
26908
90
GLY
CA
41.38
1
17706
72
GLY
CA
41.382
1
11133
1
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
15200
117
GLY
CA
41.4
1
15200
18
GLY
CA
41.4
1
19776
146
GLY
CA
41.4
.
7308
51
GLY
CA
41.4
1
4956
101
GLY
CA
41.4
1
16884
79
GLY
CA
41.4
1
27859
171
GLY
CA
41.4
.
27859
82
GLY
CA
41.4
.
16708
142
GLY
CA
41.4
1
6912
89
GLY
CA
41.4
1
26792
39
GLY
CA
41.4
1
17700
51
GLY
CA
41.4
1
5547
243
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
27667
86
GLY
CA
41.417
.
36185
28
GLY
CA
41.417
.
26945
1
GLY
CA
41.419
.
16002
11
GLY
CA
41.42
1
26647
50
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
27580
28
GLY
CA
41.43
.
26848
14
GLY
CA
41.431
1
26619
65
GLY
CA
41.439
.
19778
158
GLY
CA
41.45
.
5180
46
GLY
CA
41.45
.
5514
91
GLY
CA
41.45
1
17596
58
GLY
CA
41.451
1
4424
1
GLY
CA
41.46
1
6875
74
GLY
CA
41.46
1
16940
225
GLY
CA
41.46
1