GLY HA2 Chemical Shift Outliers

___________________________________________________
GLY HA2 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
15197
3.968
.864
6.17
0.382


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
6620
171
GLY
HA2
5.119
2
6354
107
GLY
HA2
5.12
2
7115
196
GLY
HA2
5.12
1
15247
125
GLY
HA2
5.123
2
15063
156
GLY
HA2
5.125
2
6208
49
GLY
HA2
5.13
2
5929
37
GLY
HA2
5.13
2
5820
49
GLY
HA2
5.137
.
15407
46
GLY
HA2
5.137
2
7231
173
GLY
HA2
5.144
2
6073
22
GLY
HA2
5.15
.
6754
20
GLY
HA2
5.16
.
6914
159
GLY
HA2
5.16
.
4478
82
GLY
HA2
5.16
2
6582
90
GLY
HA2
5.16
1
15061
166
GLY
HA2
5.164
1
7268
39
GLY
HA2
5.172
2
15247
3
GLY
HA2
5.172
2
660
84
GLY
HA2
5.18
1
6910
104
GLY
HA2
5.18
2
7094
34
GLY
HA2
5.181
2
4380
42
GLY
HA2
5.188
2
6075
38
GLY
HA2
5.19
1
5407
63
GLY
HA2
5.194
.
7059
132
GLY
HA2
5.199
2
15383
31
GLY
HA2
5.202
2
7261
60
GLY
HA2
5.204
2
15315
159
GLY
HA2
5.209
2
6438
92
GLY
HA2
5.21
2
6752
97
GLY
HA2
5.21
.
6849
23
GLY
HA2
5.22
2
4143
75
GLY
HA2
5.23
2
5165
98
GLY
HA2
5.232
1
6298
110
GLY
HA2
5.235
.
6855
56
GLY
HA2
5.236
1
6563
38
GLY
HA2
5.25
2
6875
109
GLY
HA2
5.25
2
4670
83
GLY
HA2
5.26
.
6888
32
GLY
HA2
5.269
2
5688
84
GLY
HA2
5.27
2
6644
42
GLY
HA2
5.27
2
5688
84
GLY
HA2
5.27
2
15127
114
GLY
HA2
5.28
2
6644
134
GLY
HA2
5.28
2
79
6
GLY
HA2
5.28
2
2283
32
GLY
HA2
5.28
2
11001
33
GLY
HA2
5.28
2
6644
86
GLY
HA2
5.28
2
15127
114
GLY
HA2
5.29
2
5867
45
GLY
HA2
5.303
1
15383
105
GLY
HA2
5.308
2
5819
83
GLY
HA2
5.31
2
6025
79
GLY
HA2
5.315
1
6927
92
GLY
HA2
5.321
1
5131
31
GLY
HA2
5.325
2
4886
95
GLY
HA2
5.33
2
2030
39
GLY
HA2
5.33
2
11001
94
GLY
HA2
5.34
2
5498
45
GLY
HA2
5.34
2
1478
35
GLY
HA2
5.34
2
7189
41
GLY
HA2
5.342
2
6933
92
GLY
HA2
5.342
1
15088
17
GLY
HA2
5.346
2
5628
98
GLY
HA2
5.35
2
4516
24
GLY
HA2
5.35
2
6092
31
GLY
HA2
5.356
2
695
23
GLY
HA2
5.36
2
6563
12
GLY
HA2
5.365
2
6540
59
GLY
HA2
5.38
2
6692
48
GLY
HA2
5.387
1
6933
23
GLY
HA2
5.387
1
15276
65
GLY
HA2
5.39
2
6075
12
GLY
HA2
5.41
1
6914
72
GLY
HA2
5.41
.
15217
63
GLY
HA2
5.44
2
4101
72
GLY
HA2
5.44
2
4101
143
GLY
HA2
5.45
2
7219
73
GLY
HA2
5.48
2
4101
117
GLY
HA2
5.48
2
5799
136
GLY
HA2
5.48
2
6120
94
GLY
HA2
5.48
2
6255
33
GLY
HA2
5.484
2
15112
20
GLY
HA2
5.489
2
6045
24
GLY
HA2
5.49
2
4766
77
GLY
HA2
5.49
.
15207
31
GLY
HA2
5.498
2
6739
17
GLY
HA2
5.5
2
6875
32
GLY
HA2
5.5
1
4060
9
GLY
HA2
5.52
2
4299
8
GLY
HA2
5.54
1
15315
76
GLY
HA2
5.55
2
4091
50
GLY
HA2
5.57
2
4567
38
GLY
HA2
5.58
2
6312
124
GLY
HA2
5.583
2
5605
79
GLY
HA2
5.61
2
4300
8
GLY
HA2
5.68
1
5754
51
GLY
HA2
5.685
1
4102
122
GLY
HA2
5.69
2
15061
48
GLY
HA2
5.692
2
4156
50
GLY
HA2
5.72
2
7119
34
GLY
HA2
5.728
2
15120
121
GLY
HA2
5.73
.
4269
5
GLY
HA2
5.82
2
6091
31
GLY
HA2
5.833
2
4340
121
GLY
HA2
6.09
1
4267
140
GLY
HA2
6.13
1
4022
145
GLY
HA2
6.17
2


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
6533
21
GLY
HA2
.864
1
5292
11
GLY
HA2
.948
1
5807
51
GLY
HA2
.97
2
5211
113
GLY
HA2
.995
.
5292
11
GLY
HA2
1.048
1
6517
34
GLY
HA2
1.1
2
6514
106
GLY
HA2
1.15
2
5659
29
GLY
HA2
1.15
1
6635
100
GLY
HA2
1.179
2
298
14
GLY
HA2
1.23
2
1151
14
GLY
HA2
1.25
2
374
28
GLY
HA2
1.26
2
6727
32
GLY
HA2
1.276
2
5
28
GLY
HA2
1.31
2
4774
73
GLY
HA2
1.53
1
7189
54
GLY
HA2
1.572
2
7189
54
GLY
HA2
1.603
2
7285
39
GLY
HA2
1.63
2
3322
39
GLY
HA2
1.7
2
15128
24
GLY
HA2
1.733
2
6647
22
GLY
HA2
1.739
2
5047
49
GLY
HA2
1.755
1
6532
81
GLY
HA2
1.763
.
5483
114
GLY
HA2
1.775
1
6134
66
GLY
HA2
1.79
1
660
53
GLY
HA2
1.8
2
7004
62
GLY
HA2
1.84
2
15339
16
GLY
HA2
1.849
2
6639
22
GLY
HA2
1.87
2
4267
91
GLY
HA2
1.89
1
15315
101
GLY
HA2
1.902
2
15048
13
GLY
HA2
1.906
2
15303
30
GLY
HA2
1.91
2
6400
60
GLY
HA2
1.948
2
133
23
GLY
HA2
1.96
1
5629
72
GLY
HA2
1.963
2
7272
24
GLY
HA2
1.976
2
6401
60
GLY
HA2
1.988
2
6075
128
GLY
HA2
1.99
1
6123
25
GLY
HA2
2.006
1
6563
128
GLY
HA2
2.017
2
5012
16
GLY
HA2
2.03
2
5786
35
GLY
HA2
2.03
1
6161
17
GLY
HA2
2.04
2
6875
114
GLY
HA2
2.08
2
15369
113
GLY
HA2
2.108
2
7270
98
GLY
HA2
2.12
2
5237
54
GLY
HA2
2.137
2
6454
118
GLY
HA2
2.15
2
6990
44
GLY
HA2
2.177
2
5697
11
GLY
HA2
2.2
2
5482
72
GLY
HA2
2.22
2
6128
58
GLY
HA2
2.22
2
5115
93
GLY
HA2
2.23
2
5506
38
GLY
HA2
2.26
1
5285
91
GLY
HA2
2.27
1
5284
91
GLY
HA2
2.29
1
15120
117
GLY
HA2
2.29
.
5545
86
GLY
HA2
2.3
2
5696
11
GLY
HA2
2.32
2
15335
55
GLY
HA2
2.322
2
7219
47
GLY
HA2
2.324
2
4417
26
GLY
HA2
2.33
2
4574
81
GLY
HA2
2.33
1
2070
40
GLY
HA2
2.35
1
4309
100
GLY
HA2
2.35
1
6391
123
GLY
HA2
2.35
2
5692
9
GLY
HA2
2.35
2
5785
122
GLY
HA2
2.37
2
434
61
GLY
HA2
2.38
2
1062
60
GLY
HA2
2.38
2
6988
93
GLY
HA2
2.389
2
4283
60
GLY
HA2
2.39
1
15061
26
GLY
HA2
2.392
2
7137
73
GLY
HA2
2.4
2
440
26
GLY
HA2
2.4
2
6514
73
GLY
HA2
2.4
2
4282
61
GLY
HA2
2.41
2
4417
89
GLY
HA2
2.42
2
2071
40
GLY
HA2
2.42
1
4036
80
GLY
HA2
2.42
2
1198
68
GLY
HA2
2.47
2
6884
32
GLY
HA2
2.48
2
4086
81
GLY
HA2
2.48
2
5199
30
GLY
HA2
2.5
2
481
13
GLY
HA2
2.5
2
4918
70
GLY
HA2
2.5
2
15172
105
GLY
HA2
2.5
2
15172
105
GLY
HA2
2.51
2
15172
105
GLY
HA2
2.51
2
4735
126
GLY
HA2
2.53
1
300
1
GLY
HA2
2.54
2
15315
43
GLY
HA2
2.542
2
7269
82
GLY
HA2
2.55
2
4879
61
GLY
HA2
2.55
1
4900
69
GLY
HA2
2.55
2
7286
30
GLY
HA2
2.555
2
5786
85
GLY
HA2
2.56
1
6799
66
GLY
HA2
2.57
2
2192
40
GLY
HA2
2.59
2
80
26
GLY
HA2
2.59
2
4407
34
GLY
HA2
2.61
2
7210
25
GLY
HA2
2.622
2
15048
118
GLY
HA2
2.623
2
6864
101
GLY
HA2
2.654
2
5659
154
GLY
HA2
2.66
2
5679
81
GLY
HA2
2.66
2
4171
49
GLY
HA2
2.67
1
495
88
GLY
HA2
2.68
2
6333
68
GLY
HA2
2.683
2
7094
66
GLY
HA2
2.689
2
4414
37
GLY
HA2
2.69
2
4701
89
GLY
HA2
2.69
2
15280
97
GLY
HA2
2.695
1
4701
55
GLY
HA2
2.7
2
15553
36
GLY
HA2
2.71
1
2198
92
GLY
HA2
2.72
2
6085
16
GLY
HA2
2.72
2
6133
82
GLY
HA2
2.72
1
1875
88
GLY
HA2
2.73
2
4848
93
GLY
HA2
2.73
.
4173
159
GLY
HA2
2.73
2
4052
88
GLY
HA2
2.73
.
4577
35
GLY
HA2
2.74
2
7286
102
GLY
HA2
2.759
1
6717
48
GLY
HA2
2.764
2
6483
4
GLY
HA2
2.765
.
5943
37
GLY
HA2
2.766
2
5300
157
GLY
HA2
2.77
1
7079
97
GLY
HA2
2.776
2
5758
34
GLY
HA2
2.79
2
4282
73
GLY
HA2
2.79
2
6482
4
GLY
HA2
2.797
.
15469
64
GLY
HA2
2.804
2
916
84
GLY
HA2
2.81
1
15618
50
GLY
HA2
2.81
2
4282
143
GLY
HA2
2.81
2
6585
68
GLY
HA2
2.815
2
79
94
GLY
HA2
2.82
2
1917
34
GLY
HA2
2.82
2
1918
33
GLY
HA2
2.82
2