GLY HA2 Chemical Shift Outliers

___________________________________________________
GLY HA2 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
29252
3.965
.844
6.428
0.370


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
4998
79
GLY
HA2
5.08
2
7330
34
GLY
HA2
5.09
.
5792
71
GLY
HA2
5.09
2
4836
194
GLY
HA2
5.09
5
7122
11
GLY
HA2
5.09
2
4022
98
GLY
HA2
5.09
2
10160
28
GLY
HA2
5.092
2
6911
37
GLY
HA2
5.094
2
17502
33
GLY
HA2
5.095
2
17315
69
GLY
HA2
5.095
2
11399
36
GLY
HA2
5.095
2
6927
23
GLY
HA2
5.096
1
19154
1
GLY
HA2
5.1
2
18197
66
GLY
HA2
5.1
1
5700
105
GLY
HA2
5.1
1
16475
193
GLY
HA2
5.1
1
5475
90
GLY
HA2
5.1
1
17364
60
GLY
HA2
5.104
2
7242
59
GLY
HA2
5.106
2
16472
57
GLY
HA2
5.108
2
16266
82
GLY
HA2
5.11
2
5946
93
GLY
HA2
5.111
2
15627
45
GLY
HA2
5.112
1
16350
31
GLY
HA2
5.112
1
6620
171
GLY
HA2
5.119
2
7115
196
GLY
HA2
5.12
1
17432
48
GLY
HA2
5.12
2
18837
49
GLY
HA2
5.12
2
6354
107
GLY
HA2
5.12
2
15927
100
GLY
HA2
5.12
1
15922
74
GLY
HA2
5.121
2
15798
95
GLY
HA2
5.122
2
10029
31
GLY
HA2
5.123
2
15247
125
GLY
HA2
5.123
2
10335
18
GLY
HA2
5.129
2
10328
18
GLY
HA2
5.129
2
6208
49
GLY
HA2
5.13
2
15798
15
GLY
HA2
5.132
2
10260
40
GLY
HA2
5.137
2
15407
46
GLY
HA2
5.137
2
5820
49
GLY
HA2
5.137
.
7231
173
GLY
HA2
5.144
2
18539
30
GLY
HA2
5.15
2
6073
22
GLY
HA2
5.15
.
15935
94
GLY
HA2
5.152
2
16380
34
GLY
HA2
5.154
2
11053
192
GLY
HA2
5.156
2
6754
20
GLY
HA2
5.16
.
6582
90
GLY
HA2
5.16
1
10301
56
GLY
HA2
5.164
2
11073
131
GLY
HA2
5.164
2
16021
131
GLY
HA2
5.164
2
15061
166
GLY
HA2
5.164
1
11095
66
GLY
HA2
5.166
2
10195
55
GLY
HA2
5.166
2
18540
40
GLY
HA2
5.17
1
15720
102
GLY
HA2
5.171
2
17909
53
GLY
HA2
5.171
1
7339
102
GLY
HA2
5.171
2
7268
39
GLY
HA2
5.172
2
15247
3
GLY
HA2
5.172
2
17005
56
GLY
HA2
5.179
2
660
84
GLY
HA2
5.18
1
7094
34
GLY
HA2
5.181
2
18663
146
GLY
HA2
5.182
2
6075
38
GLY
HA2
5.19
1
10123
50
GLY
HA2
5.192
2
16266
110
GLY
HA2
5.193
2
5407
63
GLY
HA2
5.194
.
10329
26
GLY
HA2
5.194
2
11297
21
GLY
HA2
5.194
2
7059
132
GLY
HA2
5.199
2
16679
145
GLY
HA2
5.199
2
15383
31
GLY
HA2
5.202
2
7261
60
GLY
HA2
5.204
2
16058
171
GLY
HA2
5.205
2
15315
159
GLY
HA2
5.209
2
6438
92
GLY
HA2
5.21
2
6752
97
GLY
HA2
5.21
.
10057
24
GLY
HA2
5.215
2
6849
23
GLY
HA2
5.22
2
16347
70
GLY
HA2
5.22
2
15797
15
GLY
HA2
5.223
2
5165
98
GLY
HA2
5.232
1
6855
56
GLY
HA2
5.236
1
16305
35
GLY
HA2
5.239
2
6563
38
GLY
HA2
5.25
2
6875
109
GLY
HA2
5.25
2
16463
72
GLY
HA2
5.256
2
17263
91
GLY
HA2
5.258
1
11348
70
GLY
HA2
5.258
2
4670
83
GLY
HA2
5.26
.
16285
35
GLY
HA2
5.263
2
18153
37
GLY
HA2
5.264
2
17254
35
GLY
HA2
5.269
2
5688
84
GLY
HA2
5.27
2
6644
42
GLY
HA2
5.27
2
18673
64
GLY
HA2
5.27
2
16093
29
GLY
HA2
5.27
2
16494
102
GLY
HA2
5.27
2
5688
84
GLY
HA2
5.27
2
11080
60
GLY
HA2
5.275
2
15783
103
GLY
HA2
5.275
.
79
6
GLY
HA2
5.28
2
6644
134
GLY
HA2
5.28
2
16493
102
GLY
HA2
5.28
2
6644
86
GLY
HA2
5.28
2
2283
32
GLY
HA2
5.28
2
15127
114
GLY
HA2
5.28
2
18125
66
GLY
HA2
5.28
2
11299
30
GLY
HA2
5.284
2
15127
114
GLY
HA2
5.29
2
17446
140
GLY
HA2
5.297
2
10262
86
GLY
HA2
5.298
2
11179
45
GLY
HA2
5.303
2
16463
70
GLY
HA2
5.305
2
10262
91
GLY
HA2
5.306
2
15383
105
GLY
HA2
5.308
2
5819
83
GLY
HA2
5.31
2
16679
180
GLY
HA2
5.312
2
10106
16
GLY
HA2
5.313
2
18711
68
GLY
HA2
5.319
2
18215
92
GLY
HA2
5.32
2
6927
92
GLY
HA2
5.321
1
18364
94
GLY
HA2
5.321
2
5131
31
GLY
HA2
5.325
2
10103
29
GLY
HA2
5.325
2
11231
28
GLY
HA2
5.326
2
15924
104
GLY
HA2
5.326
2
17923
33
GLY
HA2
5.327
2
11207
34
GLY
HA2
5.328
2
4886
95
GLY
HA2
5.33
2
11516
108
GLY
HA2
5.332
2
17549
118
GLY
HA2
5.336
2
5498
45
GLY
HA2
5.34
2
1478
35
GLY
HA2
5.34
2
11073
71
GLY
HA2
5.341
2
7189
41
GLY
HA2
5.342
2
16021
71
GLY
HA2
5.342
2
6933
92
GLY
HA2
5.342
1
17491
64
GLY
HA2
5.343
2
15088
17
GLY
HA2
5.346
2
17490
64
GLY
HA2
5.348
2
4516
24
GLY
HA2
5.35
2
5628
98
GLY
HA2
5.35
2
10159
34
GLY
HA2
5.351
2
11209
57
GLY
HA2
5.357
2
695
23
GLY
HA2
5.36
2
6563
12
GLY
HA2
5.365
2
16679
79
GLY
HA2
5.378
2
18142
84
GLY
HA2
5.379
2
16607
66
GLY
HA2
5.379
2
6540
59
GLY
HA2
5.38
2
11213
57
GLY
HA2
5.384
2
6933
23
GLY
HA2
5.387
1
15807
95
GLY
HA2
5.387
2
11112
63
GLY
HA2
5.409
2
6075
12
GLY
HA2
5.41
1
17735
114
GLY
HA2
5.41
2
10074
50
GLY
HA2
5.418
2
16384
51
GLY
HA2
5.42
2
15217
63
GLY
HA2
5.44
2
4101
72
GLY
HA2
5.44
2
16204
9
GLY
HA2
5.449
2
4101
143
GLY
HA2
5.45
2
6207
42
GLY
HA2
5.45
2
17579
38
GLY
HA2
5.466
2
16058
214
GLY
HA2
5.469
2
16139
58
GLY
HA2
5.47
.
11202
28
GLY
HA2
5.478
2
5799
136
GLY
HA2
5.48
2
7219
73
GLY
HA2
5.48
2
4101
117
GLY
HA2
5.48
2
6120
94
GLY
HA2
5.48
2
15246
59
GLY
HA2
5.484
2
15112
20
GLY
HA2
5.489
2
4766
77
GLY
HA2
5.49
.
16600
34
GLY
HA2
5.49
1
17139
137
GLY
HA2
5.49
2
15849
53
GLY
HA2
5.493
2
15207
31
GLY
HA2
5.498
2
11202
97
GLY
HA2
5.499
2
6875
32
GLY
HA2
5.5
1
16494
25
GLY
HA2
5.51
2
18142
34
GLY
HA2
5.512
2
16493
25
GLY
HA2
5.52
2
4060
9
GLY
HA2
5.52
2
17323
144
GLY
HA2
5.522
1
11099
53
GLY
HA2
5.537
2
4299
8
GLY
HA2
5.54
1
17076
39
GLY
HA2
5.546
2
15315
76
GLY
HA2
5.55
2
17510
41
GLY
HA2
5.556
2
17597
192
GLY
HA2
5.56
2
4091
50
GLY
HA2
5.57
2
4567
38
GLY
HA2
5.58
2
10318
112
GLY
HA2
5.595
2
17364
105
GLY
HA2
5.599
2
17952
37
GLY
HA2
5.604
2
5605
79
GLY
HA2
5.61
2
16144
105
GLY
HA2
5.61
2
11159
74
GLY
HA2
5.623
1
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
10029
30
GLY
HA2
5.695
2
4156
50
GLY
HA2
5.72
2
16486
7
GLY
HA2
5.721
1
16205
115
GLY
HA2
5.724
2
7119
34
GLY
HA2
5.728
2
15120
121
GLY
HA2
5.73
.
15893
103
GLY
HA2
5.742
2
4163
33
GLY
HA2
5.75
1
4242
42
GLY
HA2
5.78
2
16204
115
GLY
HA2
5.796
2
17521
62
GLY
HA2
5.827
2
16007
67
GLY
HA2
5.899
2
17278
61
GLY
HA2
5.959
2
15927
35
GLY
HA2
5.96
1
17279
134
GLY
HA2
5.982
2
17476
48
GLY
HA2
6.071
2
4340
121
GLY
HA2
6.09
1
4022
145
GLY
HA2
6.17
2
15684
141
GLY
HA2
6.179
.
15826
136
GLY
HA2
6.428
2


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
17729
28
GLY
HA2
.844
2
6533
21
GLY
HA2
.864
1
5292
11
GLY
HA2
.948
1
5807
51
GLY
HA2
.97
2
5211
113
GLY
HA2
.995
.
16523
126
GLY
HA2
1.015
2
5292
11
GLY
HA2
1.048
1
16647
16
GLY
HA2
1.05
2
6517
34
GLY
HA2
1.1
2
5659
29
GLY
HA2
1.15
1
6514
106
GLY
HA2
1.15
2
6635
100
GLY
HA2
1.179
2
10033
76
GLY
HA2
1.226
2
298
14
GLY
HA2
1.23
2
1151
14
GLY
HA2
1.25
2
16365
116
GLY
HA2
1.26
2
374
28
GLY
HA2
1.26
2
18526
152
GLY
HA2
1.274
2
6727
32
GLY
HA2
1.276
2
5
28
GLY
HA2
1.31
2
16231
92
GLY
HA2
1.357
1
16009
21
GLY
HA2
1.386
2
15783
113
GLY
HA2
1.51
.
4774
73
GLY
HA2
1.53
1
16739
6
GLY
HA2
1.54
2
11182
21
GLY
HA2
1.554
2
15715
59
GLY
HA2
1.56
2
7189
54
GLY
HA2
1.572
2
7189
54
GLY
HA2
1.603
2
7285
39
GLY
HA2
1.63
2
15796
59
GLY
HA2
1.643
2
3322
39
GLY
HA2
1.7
2
18517
27
GLY
HA2
1.7
2
15128
24
GLY
HA2
1.733
2
6647
22
GLY
HA2
1.739
2
18647
187
GLY
HA2
1.7459
2
5047
49
GLY
HA2
1.755
1
18044
160
GLY
HA2
1.76
1
6532
81
GLY
HA2
1.763
.
16428
34
GLY
HA2
1.769
2
6134
66
GLY
HA2
1.79
1
17092
70
GLY
HA2
1.798
2
18292
55
GLY
HA2
1.799
2
660
53
GLY
HA2
1.8
2
16675
110
GLY
HA2
1.802
.
7004
62
GLY
HA2
1.84
2
15339
16
GLY
HA2
1.849
2
17745
149
GLY
HA2
1.85
2
6639
22
GLY
HA2
1.87
2
18487
80
GLY
HA2
1.901
2
15315
101
GLY
HA2
1.902
2
18249
84
GLY
HA2
1.909
2
15303
30
GLY
HA2
1.91
2
16731
119
GLY
HA2
1.941
2
16491
39
GLY
HA2
1.943
2
6400
60
GLY
HA2
1.948
2
15028
128
GLY
HA2
1.954
2
133
23
GLY
HA2
1.96
1
7272
24
GLY
HA2
1.976
2
16406
39
GLY
HA2
1.978
2
16593
5
GLY
HA2
1.98
2
18000
69
GLY
HA2
1.98
2
6401
60
GLY
HA2
1.988
2
6075
128
GLY
HA2
1.99
1
15134
74
GLY
HA2
2
2
17364
29
GLY
HA2
2.004
2
6123
25
GLY
HA2
2.006
1
6563
128
GLY
HA2
2.017
2
16498
5
GLY
HA2
2.02
2
5786
35
GLY
HA2
2.03
1
5012
16
GLY
HA2
2.03
2
6161
17
GLY
HA2
2.04
2
6875
114
GLY
HA2
2.08
2
15369
113
GLY
HA2
2.108
2
18375
26
GLY
HA2
2.11
2
15783
108
GLY
HA2
2.111
.
5237
54
GLY
HA2
2.137
2
17524
135
GLY
HA2
2.148
2
6454
118
GLY
HA2
2.15
2
18540
86
GLY
HA2
2.159
1
17713
40
GLY
HA2
2.169
2
5697
11
GLY
HA2
2.2
2
5482
72
GLY
HA2
2.22
2
6128
58
GLY
HA2
2.22
2
17960
125
GLY
HA2
2.224
2
5115
93
GLY
HA2
2.23
2
15625
116
GLY
HA2
2.234
1
16001
76
GLY
HA2
2.235
2
18653
84
GLY
HA2
2.237
1
18375
14
GLY
HA2
2.24
2
11273
33
GLY
HA2
2.252
2
5506
38
GLY
HA2
2.26
1
5285
91
GLY
HA2
2.27
1
18166
123
GLY
HA2
2.273
2
10237
24
GLY
HA2
2.282
2
5284
91
GLY
HA2
2.29
1
15120
117
GLY
HA2
2.29
.
5545
86
GLY
HA2
2.3
2
18535
16
GLY
HA2
2.3
2
16030
65
GLY
HA2
2.3
2
10328
89
GLY
HA2
2.302
2
11457
21
GLY
HA2
2.303
2
16857
5
GLY
HA2
2.31
2
18364
76
GLY
HA2
2.315
2
5696
11
GLY
HA2
2.32
2
7219
47
GLY
HA2
2.324
2
4417
26
GLY
HA2
2.33
2
4574
81
GLY
HA2
2.33
1
11313
61
GLY
HA2
2.347
2
5692
9
GLY
HA2
2.35
2
6391
123
GLY
HA2
2.35
2
2070
40
GLY
HA2
2.35
1
4309
100
GLY
HA2
2.35
1
5785
122
GLY
HA2
2.37
2
15614
49
GLY
HA2
2.37
2
434
61
GLY
HA2
2.38
2
16344
44
GLY
HA2
2.38
1
1062
60
GLY
HA2
2.38
2
6988
93
GLY
HA2
2.389
2
18044
2
GLY
HA2
2.39
2
15061
26
GLY
HA2
2.392
2
11323
51
GLY
HA2
2.398
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
18422
56
GLY
HA2
2.42
2
2071
40
GLY
HA2
2.42
1
4036
80
GLY
HA2
2.42
2
4417
89
GLY
HA2
2.42
2
11062
81
GLY
HA2
2.428
2
16093
23
GLY
HA2
2.43
2
10328
44
GLY
HA2
2.43
2
11093
37
GLY
HA2
2.438
2
17912
57
GLY
HA2
2.438
2
10061
18
GLY
HA2
2.449
2
1198
68
GLY
HA2
2.47
2
17026
7
GLY
HA2
2.472
2
18445
17
GLY
HA2
2.478
1
4086
81
GLY
HA2
2.48
2
6884
32
GLY
HA2
2.48
2
6452
12
GLY
HA2
2.49
.
16484
38
GLY
HA2
2.495
2
4918
70
GLY
HA2
2.5
2
15172
105
GLY
HA2
2.5
2
481
13
GLY
HA2
2.5
2
5199
30
GLY
HA2
2.5
2
11348
162
GLY
HA2
2.501
2
15172
105
GLY
HA2
2.51
2
15172
105
GLY
HA2
2.51
2
10036
39
GLY
HA2
2.513
2
11328
24
GLY
HA2
2.517
2
10068
118
GLY
HA2
2.525
2
4735
126
GLY
HA2
2.53
1
300
1
GLY
HA2
2.54
2
15315
43
GLY
HA2
2.542
2
11157
37
GLY
HA2
2.547
2
4879
61
GLY
HA2
2.55
1
4900
69
GLY
HA2
2.55
2
7286
30
GLY
HA2
2.555
2
11236
77
GLY
HA2
2.557
2
18602
61
GLY
HA2
2.558
2
5786
85
GLY
HA2
2.56
1
6799
66
GLY
HA2
2.57
2
16062
42
GLY
HA2
2.573
2
17763
44
GLY
HA2
2.573
2
17261
83
GLY
HA2
2.58
2
17595
19
GLY
HA2
2.583
2
80
26
GLY
HA2
2.59
2
18788
88
GLY
HA2
2.59
2
2192
40
GLY
HA2
2.59
2
17255
74
GLY
HA2
2.602
1
11010
114
GLY
HA2
2.609
1
4407
34
GLY
HA2
2.61
2
11228
55
GLY
HA2
2.61
2
18874
25
GLY
HA2
2.612
2
7210
25
GLY
HA2
2.622
2
11218
56
GLY
HA2
2.628
2
7033
23
GLY
HA2
2.648
2
18011
76
GLY
HA2
2.649
2
16297
136
GLY
HA2
2.65
2
6864
101
GLY
HA2
2.654
2
5659
154
GLY
HA2
2.66
2
5679
81
GLY
HA2
2.66
2
10138
18
GLY
HA2
2.662
2
11155
66
GLY
HA2
2.662
2
10115
84
GLY
HA2
2.667
2
15893
43
GLY
HA2
2.668
2
4171
49
GLY
HA2
2.67
1
18445
51
GLY
HA2
2.676
2
18039
18
GLY
HA2
2.678
2
495
88
GLY
HA2
2.68
2
18375
29
GLY
HA2
2.68
2
6333
68
GLY
HA2
2.683
2
7094
66
GLY
HA2
2.689
2
4701
89
GLY
HA2
2.69
2
4414
37
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
6133
82
GLY
HA2
2.72
1
2198
92
GLY
HA2
2.72
2
6085
16
GLY
HA2
2.72
2
18047
107
GLY
HA2
2.728
2
4173
159
GLY
HA2
2.73
2
1875
88
GLY
HA2
2.73
2
4848
93
GLY
HA2
2.73
.
16585
88
GLY
HA2
2.73
2
4052
88
GLY
HA2
2.73
.
17765
34
GLY
HA2
2.738
1
10019
23
GLY
HA2
2.738
2
18637
55
GLY
HA2
2.739
2
4577
35
GLY
HA2
2.74
2
17306
53
GLY
HA2
2.747
1
11271
36
GLY
HA2
2.749
2
7286
102
GLY
HA2
2.759
1
16832
80
GLY
HA2
2.76
.
16801
29
GLY
HA2
2.76
2
11144
71
GLY
HA2
2.762
2
6717
48
GLY
HA2
2.764
2
6483
4
GLY
HA2
2.765
.
17250
214
GLY
HA2
2.766
2
5943
37
GLY
HA2
2.766
2
11122
42
GLY
HA2
2.768
2
5300
157
GLY
HA2
2.77
1
17779
44
GLY
HA2
2.775
2
11471
1
GLY
HA2
2.776
.
5674
6
GLY
HA2
2.78
.
18039
152
GLY
HA2
2.78
2
5758
34
GLY
HA2
2.79
2
16841
49
GLY
HA2
2.79
1
4282
73
GLY
HA2
2.79
2
6482
4
GLY
HA2
2.797
.
16365
96
GLY
HA2
2.8
2
16082
22
GLY
HA2
2.802
2
15469
64
GLY
HA2
2.804
2
916
84
GLY
HA2
2.81
1
4282
143
GLY
HA2
2.81
2
15618
50
GLY
HA2
2.81
2
19044
53
GLY
HA2
2.81
2
6585
68
GLY
HA2
2.815
2
16613
50
GLY
HA2
2.816
2
15863
34
GLY
HA2
2.819
.
16633
52
GLY
HA2
2.82
2
79
94
GLY
HA2
2.82
2
1918
33
GLY
HA2
2.82
2
1917
34
GLY
HA2
2.82
2
4920
16
GLY
HA2
2.823
2
16957
97
GLY
HA2
2.824
2
18530
39
GLY
HA2
2.826
2
18329
48
GLY
HA2
2.83
2
11299
57
GLY
HA2
2.833
2
5679
96
GLY
HA2
2.84
2
6840
37
GLY
HA2
2.84
1
2283
4
GLY
HA2
2.84
2
11062
25
GLY
HA2
2.841
2
10141
52
GLY
HA2
2.842
2
18013
88
GLY
HA2
2.846
2
421
25
GLY
HA2
2.85
1
18125
117
GLY
HA2
2.85
2
18818
89
GLY
HA2
2.85
2
18681
46
GLY
HA2
2.852
.