GLY C Chemical Shift Outliers

___________________________________________________
GLY C Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
39237
173.900
163.272
185.571
1.830


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
17805
52
GLY
C
179.392
1
16899
52
GLY
C
179.392
1
19553
4
GLY
C
179.395
1
4147
11
GLY
C
179.396
1
6588
186
GLY
C
179.4
1
25748
113
GLY
C
179.4
.
25859
89
GLY
C
179.4
1
7089
89
GLY
C
179.4
1
6014
123
GLY
C
179.41
1
16721
49
GLY
C
179.421
.
11376
60
GLY
C
179.44
1
25931
1
GLY
C
179.466
1
4384
18
GLY
C
179.47
1
7003
201
GLY
C
179.47
1
11514
131
GLY
C
179.495
1
5115
7
GLY
C
179.5
1
25266
155
GLY
C
179.5
1
17111
172
GLY
C
179.512
1
25157
4
GLY
C
179.516
1
36075
27
GLY
C
179.52
1
16781
113
GLY
C
179.53
1
27024
116
GLY
C
179.53
1
16439
44
GLY
C
179.532
1
16732
140
GLY
C
179.54
1
26642
92
GLY
C
179.542
1
25923
22
GLY
C
179.548
.
25243
28
GLY
C
179.551
.
18801
29
GLY
C
179.552
.
27705
157
GLY
C
179.555
1
4388
132
GLY
C
179.56
1
19584
49
GLY
C
179.56
1
7286
179
GLY
C
179.564
1
19553
13
GLY
C
179.578
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
4984
150
GLY
C
179.6
1
25266
112
GLY
C
179.6
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
18801
44
GLY
C
179.677
.
25629
180
GLY
C
179.677
.
18142
11
GLY
C
179.682
1
26642
105
GLY
C
179.685
1
15290
108
GLY
C
179.7
1
4984
100
GLY
C
179.7
1
27024
118
GLY
C
179.7
1
4972
49
GLY
C
179.7
1
25628
180
GLY
C
179.721
.
18296
67
GLY
C
179.721
1
5946
146
GLY
C
179.737
1
27757
24
GLY
C
179.747
1
19383
47
GLY
C
179.757
1
4833
71
GLY
C
179.77
1
26664
95
GLY
C
179.773
1
5823
141
GLY
C
179.78
1
5822
23
GLY
C
179.78
1
26844
94
GLY
C
179.782
1
17250
274
GLY
C
179.788
1
15317
38
GLY
C
179.8
1
7122
100
GLY
C
179.8
1
18788
50
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
19521
120
GLY
C
179.814
1
16741
87
GLY
C
179.82
.
5946
98
GLY
C
179.821
1
16890
5
GLY
C
179.821
1
15412
90
GLY
C
179.84
1
17781
206
GLY
C
179.858
1
19518
57
GLY
C
179.859
1
26912
123
GLY
C
179.861
1
10085
100
GLY
C
179.867
1
26044
143
GLY
C
179.883
1
4573
43
GLY
C
179.9
1
6617
5
GLY
C
179.9
1
25266
33
GLY
C
179.9
1
25266
53
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
25863
65
GLY
C
179.958
1
17878
228
GLY
C
179.99
1
19383
18
GLY
C
179.999
1
5997
95
GLY
C
180
1
7256
37
GLY
C
180
1
4496
39
GLY
C
180
1
4722
94
GLY
C
180
1
15210
15
GLY
C
180.001
1
18296
27
GLY
C
180.017
1
19383
22
GLY
C
180.04
1
27246
58
GLY
C
180.046
.
18801
58
GLY
C
180.079
.
17781
120
GLY
C
180.082
1
16439
17
GLY
C
180.086
1
18296
29
GLY
C
180.088
1
25791
32
GLY
C
180.092
.
5946
126
GLY
C
180.098
1
25266
109
GLY
C
180.1
1
4264
178
GLY
C
180.11
1
5663
74
GLY
C
180.13
.
25243
26
GLY
C
180.152
.
16721
56
GLY
C
180.16
.
17805
76
GLY
C
180.165
1
16899
76
GLY
C
180.165
1
17085
60
GLY
C
180.18
1
16781
93
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
19953
36
GLY
C
180.215
1
16781
52
GLY
C
180.22
1
6617
175
GLY
C
180.241
1
17770
139
GLY
C
180.283
1
11523
43
GLY
C
180.285
1
5892
69
GLY
C
180.296
1
6549
132
GLY
C
180.32
.
25157
128
GLY
C
180.321
1
19383
40
GLY
C
180.358
1
25157
32
GLY
C
180.364
1
17781
57
GLY
C
180.367
1
5946
36
GLY
C
180.376
1
30102
53
GLY
C
180.378
.
25243
36
GLY
C
180.384
.
5072
58
GLY
C
180.39
1
19383
51
GLY
C
180.393
1
6679
38
GLY
C
180.399
1
25266
43
GLY
C
180.4
1
25266
47
GLY
C
180.4
1
17781
148
GLY
C
180.407
1
18142
31
GLY
C
180.408
1
30353
78
GLY
C
180.418
1
4264
14
GLY
C
180.44
1
25157
44
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
19522
120
GLY
C
180.495
1
19520
120
GLY
C
180.495
1
16447
296
GLY
C
180.5
1
25266
35
GLY
C
180.5
1
7122
143
GLY
C
180.5
1
27395
67
GLY
C
180.5
1
25266
156
GLY
C
180.5
1
25266
54
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
18801
50
GLY
C
180.665
.
6451
83
GLY
C
180.7
1
6715
33
GLY
C
180.7
.
25266
4
GLY
C
180.7
1
18142
34
GLY
C
180.702
1
6342
83
GLY
C
180.706
1
11563
33
GLY
C
180.711
1
5946
118
GLY
C
180.717
1
17781
18
GLY
C
180.727
1
17085
16
GLY
C
180.729
1
5821
51
GLY
C
180.74
1
5823
51
GLY
C
180.74
1
17781
142
GLY
C
180.775
1
26884
52
GLY
C
180.782
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
15219
105
GLY
C
180.9
1
7122
16
GLY
C
180.9
1
18421
98
GLY
C
180.9
1
18815
106
GLY
C
180.9
1
19953
50
GLY
C
180.911
1
5892
38
GLY
C
180.915
1
4122
55
GLY
C
180.93
1
11493
47
GLY
C
180.938
1
5368
168
GLY
C
180.94
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
6015
24
GLY
C
181.086
1
26044
155
GLY
C
181.086
1
18039
152
GLY
C
181.1
1
4147
54
GLY
C
181.122
1
27266
126
GLY
C
181.142
.
19953
49
GLY
C
181.183
1
19953
48
GLY
C
181.2
1
18823
90
GLY
C
181.221
1
26044
205
GLY
C
181.226
1
5973
64
GLY
C
181.228
.
25157
83
GLY
C
181.255
1
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
26782
171
GLY
C
181.29
1
6024
225
GLY
C
181.291
1
10215
49
GLY
C
181.322
1
26044
173
GLY
C
181.326
1
10077
60
GLY
C
181.336
1
4388
162
GLY
C
181.34
1
19953
70
GLY
C
181.353
1
25266
86
GLY
C
181.4
1
7256
105
GLY
C
181.4
1
16372
134
GLY
C
181.442
1
5946
79
GLY
C
181.452
1
26044
190
GLY
C
181.469
1
27458
45
GLY
C
181.473
1
5658
73
GLY
C
181.5
1
25504
107
GLY
C
181.502
1
16781
99
GLY
C
181.52
1
16770
1
GLY
C
181.535
1
11408
70
GLY
C
181.567
1
18801
74
GLY
C
181.597
.
6475
101
GLY
C
181.604
1
6711
52
GLY
C
181.61
1
25945
62
GLY
C
181.629
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
19953
102
GLY
C
182.083
1
19953
11
GLY
C
182.099
1
5202
117
GLY
C
182.1
1
6256
72
GLY
C
182.1
1
16782
51
GLY
C
182.1
1
19953
1
GLY
C
182.218
1
19953
86
GLY
C
182.286
1
19953
20
GLY
C
182.286
1
17748
33
GLY
C
182.286
1
5202
11
GLY
C
182.3
1
17085
83
GLY
C
182.305
1
5115
103
GLY
C
182.4
1
7122
94
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
34173
11
GLY
C
182.543
1
16372
56
GLY
C
182.543
1
19995
59
GLY
C
182.662
.
18801
53
GLY
C
182.708
.
25565
26
GLY
C
182.773
.
26940
138
GLY
C
182.776
1
19953
62
GLY
C
182.796
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
27596
126
GLY
C
183.086
1
6679
41
GLY
C
183.159
1
19995
115
GLY
C
183.518
.
17716
27
GLY
C
183.552
1
19995
118
GLY
C
183.618
.
16982
104
GLY
C
184.316
1
19953
75
GLY
C
184.569
1
18801
85
GLY
C
184.805
.
25157
1
GLY
C
184.894
1
27631
1
GLY
C
185.571
.


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
25693
44
GLY
C
163.798
1
16884
56
GLY
C
165
1
16884
36
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
26851
129
GLY
C
166.71
1
26848
129
GLY
C
166.776
1
11242
45
GLY
C
166.893
1
19998
1
GLY
C
167.041
1
15722
114
GLY
C
167.047
1
6904
44
GLY
C
167.05
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
19731
141
GLY
C
167.232
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
26877
143
GLY
C
167.407
1
26875
143
GLY
C
167.409
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
26878
143
GLY
C
167.464
1
15200
29
GLY
C
167.5
1
10240
55
GLY
C
167.507
1
17704
13
GLY
C
167.573
1
4259
4
GLY
C
167.6
1
16183
1
GLY
C
167.615
1
11529
31
GLY
C
167.619
.
25428
1
GLY
C
167.631
.
25970
1
GLY
C
167.632
.
18708
85
GLY
C
167.654
1
18509
85
GLY
C
167.654
1
16164
83
GLY
C
167.671
1
16884
75
GLY
C
167.7
1
7313
209
GLY
C
167.7
1
16708
40
GLY
C
167.7
1
18509
16
GLY
C
167.726
1
18708
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
26928
81
GLY
C
167.837
1
26851
218
GLY
C
167.855
1
26848
218
GLY
C
167.856
1
16141
44
GLY
C
167.89
.
26873
81
GLY
C
167.892
1
26927
81
GLY
C
167.892
1
4186
5
GLY
C
167.9
1
18509
147
GLY
C
167.909
1
18708
147
GLY
C
167.909
1
26933
82
GLY
C
167.915
1
27282
82
GLY
C
167.915
1
15722
67
GLY
C
167.926
1
5407
64
GLY
C
167.966
.
11018
51
GLY
C
167.98
1
26996
46
GLY
C
167.98
.
17505
54
GLY
C
167.982
1
16204
194
GLY
C
167.991
1
26717
114
GLY
C
168
1
18175
24
GLY
C
168
1
17774
24
GLY
C
168
1
27859
145
GLY
C
168
.
4758
32
GLY
C
168.01
1
25924
57
GLY
C
168.036
.
25422
1
GLY
C
168.049
1
6829
22
GLY
C
168.083
1
6514
62
GLY
C
168.1
1
19553
30
GLY
C
168.1
1
10260
87
GLY
C
168.101
1
26851
232
GLY
C
168.13
1
15164
413
GLY
C
168.137
1
17704
19
GLY
C
168.142
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
26848
232
GLY
C
168.175
1
15796
71
GLY
C
168.179
1
4259
50
GLY
C
168.2
1
27859
104
GLY
C
168.2
.
4111
159
GLY
C
168.2
1
16884
11
GLY
C
168.2
1
7074
23
GLY
C
168.2
1
26948
26
GLY
C
168.2
1
26851
78
GLY
C
168.215
1
10260
50
GLY
C
168.223
1
25701
134
GLY
C
168.23
1
11531
17
GLY
C
168.235
.
18509
51
GLY
C
168.248
1
18708
51
GLY
C
168.248
1
30352
48
GLY
C
168.296
1
16708
132
GLY
C
168.3
1
15722
35
GLY
C
168.3
1
25752
134
GLY
C
168.33
1
16713
90
GLY
C
168.347
1
16205
182
GLY
C
168.349
1
5943
38
GLY
C
168.35
1
30172
38
GLY
C
168.35
1
25924
59
GLY
C
168.361
.
11222
60
GLY
C
168.369
1
25048
92
GLY
C
168.37
1
34039
38
GLY
C
168.377
1
16693
1
GLY
C
168.38
1
25778
46
GLY
C
168.387
1
11112
59
GLY
C
168.393
1
6517
22
GLY
C
168.4
1
6589
10
GLY
C
168.4
1
7313
61
GLY
C
168.4
1
4047
48
GLY
C
168.4
1
18509
33
GLY
C
168.4
1
18708
33
GLY
C
168.4
1