GLY C Chemical Shift Outliers

___________________________________________________
GLY C Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
24677
173.881
163.272
184.316
1.892


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
4388
132
GLY
C
179.56
1
7286
179
GLY
C
179.564
1
16439
103
GLY
C
179.584
1
17085
20
GLY
C
179.591
1
5923
46
GLY
C
179.5921
1
6617
135
GLY
C
179.598
1
6223
14
GLY
C
179.6
1
5925
46
GLY
C
179.6055
1
17085
119
GLY
C
179.606
1
6015
54
GLY
C
179.606
1
17410
76
GLY
C
179.615
1
17017
35
GLY
C
179.634
1
5752
103
GLY
C
179.672
1
18142
11
GLY
C
179.682
1
4972
49
GLY
C
179.7
1
15290
108
GLY
C
179.7
1
5946
146
GLY
C
179.737
1
4833
71
GLY
C
179.77
1
5823
141
GLY
C
179.78
1
5822
23
GLY
C
179.78
1
17250
274
GLY
C
179.788
1
15317
38
GLY
C
179.8
1
18788
50
GLY
C
179.8
1
7122
100
GLY
C
179.8
1
18413
28
GLY
C
179.803
1
6015
96
GLY
C
179.809
1
16982
133
GLY
C
179.813
1
16741
87
GLY
C
179.82
.
16890
5
GLY
C
179.821
1
5946
98
GLY
C
179.821
1
15412
90
GLY
C
179.84
1
17781
206
GLY
C
179.858
1
10085
100
GLY
C
179.867
1
4573
43
GLY
C
179.9
1
6617
5
GLY
C
179.9
1
16684
34
GLY
C
179.9145
1
17085
56
GLY
C
179.925
1
7003
169
GLY
C
179.955
1
17410
202
GLY
C
179.957
1
17878
228
GLY
C
179.99
1
4496
39
GLY
C
180
1
5997
95
GLY
C
180
1
7256
37
GLY
C
180
1
4722
94
GLY
C
180
1
15210
15
GLY
C
180.001
1
17781
120
GLY
C
180.082
1
16439
17
GLY
C
180.086
1
5946
126
GLY
C
180.098
1
4321
64
GLY
C
180.1
1
4264
178
GLY
C
180.11
1
4775
163
GLY
C
180.14
1
16721
56
GLY
C
180.16
.
17805
76
GLY
C
180.165
1
16781
93
GLY
C
180.18
1
17085
60
GLY
C
180.18
1
7003
81
GLY
C
180.181
1
17635
32
GLY
C
180.182
1
17447
132
GLY
C
180.193
1
17781
237
GLY
C
180.21
1
16781
52
GLY
C
180.22
1
6617
175
GLY
C
180.241
1
17770
139
GLY
C
180.283
1
5892
69
GLY
C
180.296
1
6549
132
GLY
C
180.32
.
17781
57
GLY
C
180.367
1
5946
36
GLY
C
180.376
1
5072
58
GLY
C
180.39
1
6679
38
GLY
C
180.399
1
17781
148
GLY
C
180.407
1
18142
31
GLY
C
180.408
1
4264
14
GLY
C
180.44
1
6617
164
GLY
C
180.452
1
5305
175
GLY
C
180.47
1
18142
100
GLY
C
180.49
1
7122
143
GLY
C
180.5
1
16447
296
GLY
C
180.5
1
4974
64
GLY
C
180.523
1
6342
30
GLY
C
180.551
1
5946
125
GLY
C
180.566
1
16982
62
GLY
C
180.577
1
6617
101
GLY
C
180.596
1
16982
134
GLY
C
180.632
1
7320
74
GLY
C
180.639
1
6536
67
GLY
C
180.649
1
6787
115
GLY
C
180.65
1
17410
55
GLY
C
180.652
1
6715
33
GLY
C
180.7
.
6451
83
GLY
C
180.7
1
18142
34
GLY
C
180.702
1
6342
83
GLY
C
180.706
1
5946
118
GLY
C
180.717
1
17781
18
GLY
C
180.727
1
17085
16
GLY
C
180.729
1
5823
51
GLY
C
180.74
1
5821
51
GLY
C
180.74
1
17781
142
GLY
C
180.775
1
6475
48
GLY
C
180.787
1
11399
40
GLY
C
180.797
1
5816
53
GLY
C
180.8
1
5838
19
GLY
C
180.81
1
18823
61
GLY
C
180.829
1
17781
98
GLY
C
180.865
1
6527
19
GLY
C
180.88
1
17781
135
GLY
C
180.893
1
7122
16
GLY
C
180.9
1
18815
106
GLY
C
180.9
1
18421
98
GLY
C
180.9
1
15219
105
GLY
C
180.9
1
5892
38
GLY
C
180.915
1
4122
55
GLY
C
180.93
1
11493
47
GLY
C
180.938
1
17017
46
GLY
C
180.983
1
6429
101
GLY
C
181
1
17716
56
GLY
C
181.029
1
18020
78
GLY
C
181.039
.
18142
84
GLY
C
181.046
1
4321
65
GLY
C
181.06
1
6015
24
GLY
C
181.086
1
18039
152
GLY
C
181.1
1
4147
54
GLY
C
181.122
1
18823
90
GLY
C
181.221
1
5973
64
GLY
C
181.228
.
18856
37
GLY
C
181.257
.
6015
30
GLY
C
181.265
1
5823
173
GLY
C
181.27
1
5822
55
GLY
C
181.27
1
6024
225
GLY
C
181.291
1
10215
49
GLY
C
181.322
1
10077
60
GLY
C
181.336
1
4388
162
GLY
C
181.34
1
7256
105
GLY
C
181.4
1
16372
134
GLY
C
181.442
1
5946
79
GLY
C
181.452
1
5658
73
GLY
C
181.5
1
16781
99
GLY
C
181.52
1
16770
1
GLY
C
181.535
1
11408
70
GLY
C
181.567
1
6475
101
GLY
C
181.604
1
6711
52
GLY
C
181.61
1
18392
258
GLY
C
181.8
1
6015
95
GLY
C
181.835
1
17085
103
GLY
C
181.937
1
16464
296
GLY
C
182.06
1
5202
117
GLY
C
182.1
1
16782
51
GLY
C
182.1
1
6256
72
GLY
C
182.1
1
17748
33
GLY
C
182.286
1
5202
11
GLY
C
182.3
1
17085
83
GLY
C
182.305
1
7122
94
GLY
C
182.4
1
5115
103
GLY
C
182.4
1
4093
34
GLY
C
182.4
1
7122
11
GLY
C
182.5
1
18917
45
GLY
C
182.523
1
16372
56
GLY
C
182.543
1
15701
55
GLY
C
182.88
1
5693
196
GLY
C
182.9
1
17258
133
GLY
C
182.907
1
5202
154
GLY
C
183
1
5880
55
GLY
C
183.042
1
16372
6
GLY
C
183.055
1
6679
41
GLY
C
183.159
1
17716
27
GLY
C
183.552
1
16982
104
GLY
C
184.316
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
C
163.272
9
6586
21
GLY
C
163.513
9
16884
36
GLY
C
165
1
16884
56
GLY
C
165
1
4722
81
GLY
C
165.8
1
16984
104
GLY
C
166.167
1
11135
67
GLY
C
166.229
1
11140
74
GLY
C
166.281
1
16884
8
GLY
C
166.4
1
15200
13
GLY
C
166.5
1
10052
163
GLY
C
166.57
1
17388
80
GLY
C
166.628
1
18389
41
GLY
C
166.652
1
11242
45
GLY
C
166.893
1
15722
114
GLY
C
167.047
1
6904
44
GLY
C
167.05
1
11236
88
GLY
C
167.069
1
7308
98
GLY
C
167.1
1
6903
44
GLY
C
167.175
1
7307
98
GLY
C
167.2
1
11125
60
GLY
C
167.218
1
4731
63
GLY
C
167.29
1
4670
112
GLY
C
167.3
.
6586
4
GLY
C
167.36
1
5514
138
GLY
C
167.38
1
15200
117
GLY
C
167.4
1
17081
1
GLY
C
167.403
1
5407
114
GLY
C
167.424
.
17082
1
GLY
C
167.435
1
11233
48
GLY
C
167.443
1
18314
1
GLY
C
167.446
1
18315
1
GLY
C
167.446
1
11181
52
GLY
C
167.464
1
15200
29
GLY
C
167.5
1
10240
55
GLY
C
167.507
1
4259
4
GLY
C
167.6
1
16183
1
GLY
C
167.615
1
18389
100
GLY
C
167.638
1
18509
85
GLY
C
167.654
1
18708
85
GLY
C
167.654
1
16164
83
GLY
C
167.671
1
7313
209
GLY
C
167.7
1
16884
75
GLY
C
167.7
1
16708
40
GLY
C
167.7
1
18708
16
GLY
C
167.726
1
18509
16
GLY
C
167.726
1
5557
89
GLY
C
167.756
1
6903
64
GLY
C
167.76
1
6904
64
GLY
C
167.77
1
18081
47
GLY
C
167.774
1
17443
26
GLY
C
167.788
1
5942
2
GLY
C
167.819
1
16141
44
GLY
C
167.89
.
18509
147
GLY
C
167.909
1
18708
147
GLY
C
167.909
1
15722
67
GLY
C
167.926
1
5407
64
GLY
C
167.966
.
11018
51
GLY
C
167.98
1
17505
54
GLY
C
167.982
1
16204
194
GLY
C
167.991
1
17774
24
GLY
C
168
1
18175
24
GLY
C
168
1
4758
32
GLY
C
168.01
1
18389
55
GLY
C
168.023
1
6829
22
GLY
C
168.083
1
6514
62
GLY
C
168.1
1
4797
88
GLY
C
168.1
1
10260
87
GLY
C
168.101
1
15164
413
GLY
C
168.137
1
15578
82
GLY
C
168.147
1
11233
55
GLY
C
168.162
1
11434
16
GLY
C
168.165
1
15820
48
GLY
C
168.169
.
5514
189
GLY
C
168.17
1
15796
71
GLY
C
168.179
1
7074
23
GLY
C
168.2
1
16884
11
GLY
C
168.2
1
4259
50
GLY
C
168.2
1
4111
159
GLY
C
168.2
1