GLY HA3 Chemical Shift Outliers

___________________________________________________
GLY HA3 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
14205
3.904
1.27
5.83
0.377


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
1657
11
GLY
HA3
5.04
2
4199
31
GLY
HA3
5.05
2
15369
130
GLY
HA3
5.05
2
5483
153
GLY
HA3
5.053
1
5984
47
GLY
HA3
5.06
2
6995
15
GLY
HA3
5.06
2
1657
20
GLY
HA3
5.07
2
2198
6
GLY
HA3
5.075
2
4871
142
GLY
HA3
5.08
2
5382
41
GLY
HA3
5.08
.
4876
56
GLY
HA3
5.08
1
7266
105
GLY
HA3
5.09
2
5173
38
GLY
HA3
5.1
2
1071
34
GLY
HA3
5.1
2
6964
74
GLY
HA3
5.1
2
4414
8
GLY
HA3
5.1
1
5700
105
GLY
HA3
5.1
1
6986
100
GLY
HA3
5.11
2
6213
105
GLY
HA3
5.11
2
5554
114
GLY
HA3
5.11
2
5842
28
GLY
HA3
5.12
2
6029
90
GLY
HA3
5.12
1
6884
32
GLY
HA3
5.13
2
6122
37
GLY
HA3
5.138
2
6173
5
GLY
HA3
5.139
2
6003
116
GLY
HA3
5.14
2
6223
34
GLY
HA3
5.14
1
5388
56
GLY
HA3
5.14
2
4043
34
GLY
HA3
5.15
2
5902
61
GLY
HA3
5.167
2
1657
23
GLY
HA3
5.17
2
5237
40
GLY
HA3
5.177
2
114
26
GLY
HA3
5.18
2
660
84
GLY
HA3
5.18
1
5842
62
GLY
HA3
5.18
2
6536
67
GLY
HA3
5.182
2
6341
84
GLY
HA3
5.183
2
1766
23
GLY
HA3
5.19
2
4487
15
GLY
HA3
5.19
2
66
12
GLY
HA3
5.19
2
5756
123
GLY
HA3
5.19
2
6386
17
GLY
HA3
5.2
2
4327
87
GLY
HA3
5.2
2
4309
86
GLY
HA3
5.2
2
6797
86
GLY
HA3
5.203
2
6944
119
GLY
HA3
5.207
.
4037
58
GLY
HA3
5.21
1
6344
135
GLY
HA3
5.21
2
4171
68
GLY
HA3
5.22
1
4019
6
GLY
HA3
5.22
2
6387
17
GLY
HA3
5.22
2
6829
74
GLY
HA3
5.222
2
15611
18
GLY
HA3
5.228
2
5657
109
GLY
HA3
5.24
2
15257
33
GLY
HA3
5.24
2
5275
50
GLY
HA3
5.247
2
660
87
GLY
HA3
5.25
2
6644
86
GLY
HA3
5.25
2
260
6
GLY
HA3
5.26
2
15139
18
GLY
HA3
5.27
2
1663
42
GLY
HA3
5.28
2
15209
18
GLY
HA3
5.29
1
6883
83
GLY
HA3
5.294
2
6454
131
GLY
HA3
5.3
2
7270
142
GLY
HA3
5.31
2
6025
79
GLY
HA3
5.315
1
6460
38
GLY
HA3
5.315
2
6510
104
GLY
HA3
5.32
2
5756
43
GLY
HA3
5.32
2
5382
42
GLY
HA3
5.33
.
7189
41
GLY
HA3
5.345
2
4309
69
GLY
HA3
5.35
2
1657
38
GLY
HA3
5.36
2
1657
21
GLY
HA3
5.36
2
6692
48
GLY
HA3
5.387
1
5402
34
GLY
HA3
5.39
2
5627
207
GLY
HA3
5.39
2
5211
113
GLY
HA3
5.405
.
2030
39
GLY
HA3
5.42
2
4143
69
GLY
HA3
5.42
2
15322
99
GLY
HA3
5.435
2
4123
24
GLY
HA3
5.44
2
4697
86
GLY
HA3
5.44
.
15528
79
GLY
HA3
5.451
2
4217
57
GLY
HA3
5.47
1
5577
172
GLY
HA3
5.49
.
6726
66
GLY
HA3
5.49
2
5659
147
GLY
HA3
5.5
2
5789
85
GLY
HA3
5.51
1
6613
149
GLY
HA3
5.518
2
1663
71
GLY
HA3
5.52
2
6339
24
GLY
HA3
5.536
2
6475
101
GLY
HA3
5.579
2
4577
133
GLY
HA3
5.6
2
15303
56
GLY
HA3
5.62
2
6202
37
GLY
HA3
5.64
2
4102
122
GLY
HA3
5.69
2
15322
30
GLY
HA3
5.76
2
4797
36
GLY
HA3
5.82
2
4797
162
GLY
HA3
5.83
2


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
375
28
GLY
HA3
1.27
2
6140
7
GLY
HA3
1.3
2
4206
87
GLY
HA3
1.31
2
4173
159
GLY
HA3
1.41
2
7112
88
GLY
HA3
1.437
2
7094
66
GLY
HA3
1.452
2
5629
72
GLY
HA3
1.498
2
6914
70
GLY
HA3
1.63
.
15061
26
GLY
HA3
1.657
2
5492
26
GLY
HA3
1.67
2
7055
11
GLY
HA3
1.676
2
6390
91
GLY
HA3
1.68
2
6191
21
GLY
HA3
1.71
1
4259
26
GLY
HA3
1.71
1
15424
10
GLY
HA3
1.722
2
4091
130
GLY
HA3
1.73
2
6398
46
GLY
HA3
1.737
2
4735
126
GLY
HA3
1.76
1
5628
158
GLY
HA3
1.78
2
5819
124
GLY
HA3
1.8
2
4156
24
GLY
HA3
1.93
2
4886
53
GLY
HA3
1.93
2
15627
25
GLY
HA3
1.94
1
6563
128
GLY
HA3
1.941
2
6133
82
GLY
HA3
1.95
1
6289
19
GLY
HA3
1.95
2
133
23
GLY
HA3
1.96
1
5628
158
GLY
HA3
1.96
2
6173
55
GLY
HA3
1.96
2
6310
130
GLY
HA3
1.989
.
6075
128
GLY
HA3
1.99
1
4407
34
GLY
HA3
2.03
2
5047
49
GLY
HA3
2.046
1
15335
67
GLY
HA3
2.056
2
4886
4
GLY
HA3
2.06
2
4437
17
GLY
HA3
2.06
1
15063
156
GLY
HA3
2.061
2
5820
136
GLY
HA3
2.067
.
5697
11
GLY
HA3
2.09
2
5237
54
GLY
HA3
2.113
2
5583
48
GLY
HA3
2.16
1
4668
14
GLY
HA3
2.163
2
4417
26
GLY
HA3
2.17
2
6727
32
GLY
HA3
2.184
2
4821
143
GLY
HA3
2.195
1
5946
125
GLY
HA3
2.199
2
4648
179
GLY
HA3
2.21
.
6189
22
GLY
HA3
2.215
1
4774
73
GLY
HA3
2.22
1
5884
101
GLY
HA3
2.222
1
6532
81
GLY
HA3
2.252
.
5031
37
GLY
HA3
2.26
2
15335
55
GLY
HA3
2.261
2
6312
35
GLY
HA3
2.27
2
5696
11
GLY
HA3
2.27
2
5516
83
GLY
HA3
2.3
2
4574
81
GLY
HA3
2.33
1
4848
79
GLY
HA3
2.34
.
2196
26
GLY
HA3
2.34
2
5012
16
GLY
HA3
2.34
2
15128
24
GLY
HA3
2.348
2
2070
40
GLY
HA3
2.35
1
5482
72
GLY
HA3
2.35
2
5100
7
GLY
HA3
2.35
2
5100
7
GLY
HA3
2.36
2
6578
166
GLY
HA3
2.367
2
5517
78
GLY
HA3
2.37
1
5267
103
GLY
HA3
2.38
2
435
60
GLY
HA3
2.38
2
15431
46
GLY
HA3
2.39
2
6050
43
GLY
HA3
2.395
1
5709
76
GLY
HA3
2.4
1
10137
81
GLY
HA3
2.418
2
4077
28
GLY
HA3
2.42
2
2071
40
GLY
HA3
2.42
1
6376
95
GLY
HA3
2.429
2
4944
24
GLY
HA3
2.44
2
4173
122
GLY
HA3
2.45
2
975
40
GLY
HA3
2.45
2
4465
9
GLY
HA3
2.46
1
6400
60
GLY
HA3
2.469
2
5232
119
GLY
HA3
2.48
2
15329
32
GLY
HA3
2.484
2
6517
34
GLY
HA3
2.5
2
5222
113
GLY
HA3
2.5
2
2208
47
GLY
HA3
2.5
2
480
13
GLY
HA3
2.5
2
6401
60
GLY
HA3
2.503
2
7085
89
GLY
HA3
2.503
2
15335
70
GLY
HA3
2.504
2
5505
99
GLY
HA3
2.51
2
5267
38
GLY
HA3
2.51
2
6334
57
GLY
HA3
2.517
1
4701
89
GLY
HA3
2.55
2
5100
44
GLY
HA3
2.55
2
6050
41
GLY
HA3
2.551
1
7326
42
GLY
HA3
2.555
.
5051
195
GLY
HA3
2.56
2
6372
125
GLY
HA3
2.56
2
5051
38
GLY
HA3
2.56
2
7310
75
GLY
HA3
2.57
1
4701
55
GLY
HA3
2.57
2
7022
39
GLY
HA3
2.578
2
6368
66
GLY
HA3
2.58
1
5492
34
GLY
HA3
2.59
2
6277
24
GLY
HA3
2.591
2
5946
36
GLY
HA3
2.594
2
6051
122
GLY
HA3
2.598
2
5823
239
GLY
HA3
2.6
2
5084
25
GLY
HA3
2.6
2
5822
121
GLY
HA3
2.6
2
7272
24
GLY
HA3
2.602
2
5709
53
GLY
HA3
2.61
1
4259
34
GLY
HA3
2.62
1
5459
30
GLY
HA3
2.62
1
7174
28
GLY
HA3
2.624
2
5275
22
GLY
HA3
2.632
2
5709
73
GLY
HA3
2.64
1
2208
75
GLY
HA3
2.64
2
11001
33
GLY
HA3
2.65
2
5898
17
GLY
HA3
2.65
2
7137
73
GLY
HA3
2.65
2
6159
181
GLY
HA3
2.651
2
4969
110
GLY
HA3
2.651
2
6354
107
GLY
HA3
2.66
2
5085
25
GLY
HA3
2.66
2
6717
48
GLY
HA3
2.664
2
15627
45
GLY
HA3
2.664
1
6073
79
GLY
HA3
2.68
.
4830
49
GLY
HA3
2.68
2
7324
38
GLY
HA3
2.693
1
6193
60
GLY
HA3
2.697
1
4077
1
GLY
HA3
2.7
2
4299
122
GLY
HA3
2.7
2
4681
80
GLY
HA3
2.7
.
4570
41
GLY
HA3
2.706
2
4215
124
GLY
HA3
2.72
1
4300
122
GLY
HA3
2.72
2
5981
116
GLY
HA3
2.728
2
4101
26
GLY
HA3
2.73
2
5033
10
GLY
HA3
2.74
1
5105
34
GLY
HA3
2.74
2
4976
10
GLY
HA3
2.74
.
4086
81
GLY
HA3
2.74
2
4283
60
GLY
HA3
2.74
1
4152
198
GLY
HA3
2.74
2
5901
27
GLY
HA3
2.74
2
7286
102
GLY
HA3
2.759
1
15172
105
GLY
HA3
2.76
2
5300
157
GLY
HA3
2.76
1
15172
105
GLY
HA3
2.76
2
7310
47
GLY
HA3
2.761
1
15232
88
GLY
HA3
2.763
1
4158
86
GLY
HA3
2.77
2
6140
11
GLY
HA3
2.77
2
6540
57
GLY
HA3
2.77
2
15172
105
GLY
HA3
2.77
2
15627
61
GLY
HA3
2.771
1