GLY HA2 Chemical Shift Outliers

___________________________________________________
GLY HA2 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
20594
3.964
-3.4
8.64
0.422


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
5947
133
GLY
HA2
5.235
2
6298
110
GLY
HA2
5.235
.
6855
56
GLY
HA2
5.236
1
5344
32
GLY
HA2
5.25
2
6563
38
GLY
HA2
5.25
2
6763
8
GLY
HA2
5.25
.
6875
109
GLY
HA2
5.25
2
4670
83
GLY
HA2
5.26
.
5081
86
GLY
HA2
5.268
1
6888
32
GLY
HA2
5.269
2
5688
84
GLY
HA2
5.27
2
5343
32
GLY
HA2
5.27
2
6644
42
GLY
HA2
5.27
2
4947
94
GLY
HA2
5.27
1
5688
84
GLY
HA2
5.27
2
6131
60
GLY
HA2
5.277
1
6644
134
GLY
HA2
5.28
2
15127
114
GLY
HA2
5.28
2
6644
86
GLY
HA2
5.28
2
2283
32
GLY
HA2
5.28
2
11001
33
GLY
HA2
5.28
2
79
6
GLY
HA2
5.28
2
15127
114
GLY
HA2
5.29
2
7150
28
GLY
HA2
5.29
1
4712
102
GLY
HA2
5.3
2
5867
45
GLY
HA2
5.303
1
6295
154
GLY
HA2
5.307
1
15383
105
GLY
HA2
5.308
2
6030
101
GLY
HA2
5.31
2
5819
83
GLY
HA2
5.31
2
6025
79
GLY
HA2
5.315
1
4881
95
GLY
HA2
5.32
2
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
6763
89
GLY
HA2
5.33
.
5352
26
GLY
HA2
5.34
2
5498
45
GLY
HA2
5.34
2
4071
34
GLY
HA2
5.34
1
11001
94
GLY
HA2
5.34
2
1478
35
GLY
HA2
5.34
2
6933
92
GLY
HA2
5.342
1
7189
41
GLY
HA2
5.342
2
15088
17
GLY
HA2
5.346
2
4012
38
GLY
HA2
5.35
1
4516
24
GLY
HA2
5.35
2
5628
98
GLY
HA2
5.35
2
6092
31
GLY
HA2
5.356
2
695
23
GLY
HA2
5.36
2
4012
21
GLY
HA2
5.36
1
6563
12
GLY
HA2
5.365
2
4984
150
GLY
HA2
5.38
2
6540
59
GLY
HA2
5.38
2
5172
21
GLY
HA2
5.38
1
6933
23
GLY
HA2
5.387
1
6692
48
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
.
5239
64
GLY
HA2
5.41
2
4101
72
GLY
HA2
5.44
2
15217
63
GLY
HA2
5.44
2
4881
97
GLY
HA2
5.44
2
4101
143
GLY
HA2
5.45
2
4744
63
GLY
HA2
5.458
.
5532
57
GLY
HA2
5.473
1
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
6255
33
GLY
HA2
5.484
2
15112
20
GLY
HA2
5.489
2
4766
77
GLY
HA2
5.49
.
6045
24
GLY
HA2
5.49
2
15207
31
GLY
HA2
5.498
2
4444
104
GLY
HA2
5.5
.
6875
32
GLY
HA2
5.5
1
6739
17
GLY
HA2
5.5
2
5939
63
GLY
HA2
5.511
2
5618
228
GLY
HA2
5.52
2
4060
9
GLY
HA2
5.52
2
6634
31
GLY
HA2
5.54
2
4299
8
GLY
HA2
5.54
1
15315
76
GLY
HA2
5.55
2
4712
25
GLY
HA2
5.57
2
5625
31
GLY
HA2
5.57
2
4091
50
GLY
HA2
5.57
2
4567
38
GLY
HA2
5.58
2
6312
124
GLY
HA2
5.583
2
6295
109
GLY
HA2
5.602
1
5081
69
GLY
HA2
5.607
1
5605
79
GLY
HA2
5.61
2
5279
63
GLY
HA2
5.613
.
6131
40
GLY
HA2
5.622
1
4300
8
GLY
HA2
5.68
1
5754
51
GLY
HA2
5.685
1
5625
64
GLY
HA2
5.69
2
4102
122
GLY
HA2
5.69
2
15061
48
GLY
HA2
5.692
2
4744
11
GLY
HA2
5.696
.
5279
11
GLY
HA2
5.696
.
6634
64
GLY
HA2
5.7
2
4156
50
GLY
HA2
5.72
2
7119
34
GLY
HA2
5.728
2
15120
121
GLY
HA2
5.73
.
5631
29
GLY
HA2
5.73
2
4163
33
GLY
HA2
5.75
1
5239
47
GLY
HA2
5.76
2
4242
42
GLY
HA2
5.78
2
5618
258
GLY
HA2
5.78
2
4269
5
GLY
HA2
5.82
2
6060
31
GLY
HA2
5.822
2
6091
31
GLY
HA2
5.833
2
5625
47
GLY
HA2
5.88
2
6634
47
GLY
HA2
5.89
2
5172
52
GLY
HA2
6
2
1207
40
GLY
HA2
6.05
1
5745
46
GLY
HA2
6.06
2
4340
121
GLY
HA2
6.09
1
4267
140
GLY
HA2
6.13
1
4602
42
GLY
HA2
6.14
9
4602
41
GLY
HA2
6.15
1
4022
145
GLY
HA2
6.17
2
6967
55
GLY
HA2
6.23
2
5802
48
GLY
HA2
6.3
1
5802
48
GLY
HA2
6.32
1
4837
61
GLY
HA2
6.48
2
4633
30
GLY
HA2
7.31
.
4236
189
GLY
HA2
8.62
1
5172
46
GLY
HA2
8.64
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
5406
29
GLY
HA2
-.003
2
4189
29
GLY
HA2
-.2
1
346
34
GLY
HA2
-.49
1
5466
21
GLY
HA2
-1.25
.
1192
34
GLY
HA2
-3.4
1
131
34
GLY
HA2
.03
1
1720
34
GLY
HA2
.03
1
1333
24
GLY
HA2
.03
2
1170
29
GLY
HA2
.17
2
295
39
GLY
HA2
.34
2
15189
109
GLY
HA2
.452
1
923
34
GLY
HA2
.49
2
317
29
GLY
HA2
.7
2
6533
21
GLY
HA2
.864
1
4854
166
GLY
HA2
.89
.
1394
49
GLY
HA2
.94
2
329
49
GLY
HA2
.94
2
5292
11
GLY
HA2
.948
1
5807
51
GLY
HA2
.97
2
5211
113
GLY
HA2
.995
.
7367
7
GLY
HA2
0
?
5292
11
GLY
HA2
1.048
1
6517
34
GLY
HA2
1.1
2
5659
29
GLY
HA2
1.15
1
6514
106
GLY
HA2
1.15
2
6823
29
GLY
HA2
1.15
2
6635
100
GLY
HA2
1.179
2
5828
41
GLY
HA2
1.18
2
5466
33
GLY
HA2
1.22
.
298
14
GLY
HA2
1.23
2
1151
14
GLY
HA2
1.25
2
1171
41
GLY
HA2
1.25
2
374
28
GLY
HA2
1.26
2
274
41
GLY
HA2
1.27
2
6727
32
GLY
HA2
1.276
2
5
28
GLY
HA2
1.31
2
5827
41
GLY
HA2
1.46
2
5406
41
GLY
HA2
1.513
2
7114
228
GLY
HA2
1.52
2
4774
73
GLY
HA2
1.53
1
1170
41
GLY
HA2
1.55
2
7189
54
GLY
HA2
1.572
2
7189
54
GLY
HA2
1.603
2
1673
4
GLY
HA2
1.61
2
4777
27
GLY
HA2
1.62
1
4301
127
GLY
HA2
1.62
2
7285
39
GLY
HA2
1.63
2
4038
77
GLY
HA2
1.67
1
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
1379
53
GLY
HA2
1.76
2
6532
81
GLY
HA2
1.763
.
7297
68
GLY
HA2
1.775
2
5483
114
GLY
HA2
1.775
1
5741
67
GLY
HA2
1.78
2
6134
66
GLY
HA2
1.79
1
660
53
GLY
HA2
1.8
2
376
53
GLY
HA2
1.8
2
6149
37
GLY
HA2
1.82
2
6656
22
GLY
HA2
1.828
2
6637
22
GLY
HA2
1.829
2
7004
62
GLY
HA2
1.84
2
4360
107
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
6657
22
GLY
HA2
1.923
2
1720
46
GLY
HA2
1.93
2
4301
106
GLY
HA2
1.93
2
4679
158
GLY
HA2
1.93
.
6400
60
GLY
HA2
1.948
2
15028
128
GLY
HA2
1.954
2
133
23
GLY
HA2
1.96
1
5629
72
GLY
HA2
1.963
2
1333
51
GLY
HA2
1.97
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
4329
40
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
7179
35
GLY
HA2
2.05
2
5597
46
GLY
HA2
2.06
1
6875
114
GLY
HA2
2.08
2
5876
20
GLY
HA2
2.085
1
4236
56
GLY
HA2
2.1
1
15369
113
GLY
HA2
2.108
2
7270
98
GLY
HA2
2.12
2
7207
23
GLY
HA2
2.132
2
5237
54
GLY
HA2
2.137
2
6454
118
GLY
HA2
2.15
2
6990
44
GLY
HA2
2.177
2
5741
95
GLY
HA2
2.18
2
15361
117
GLY
HA2
2.187
2
4301
58
GLY
HA2
2.19
2
5697
11
GLY
HA2
2.2
2
287
50
GLY
HA2
2.2
2
4781
19
GLY
HA2
2.208
1
6128
58
GLY
HA2
2.22
2
5482
72
GLY
HA2
2.22
2
5115
93
GLY
HA2
2.23
2
4262
98
GLY
HA2
2.23
2
5506
38
GLY
HA2
2.26
1
4717
25
GLY
HA2
2.27
.
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
4574
81
GLY
HA2
2.33
1
4417
26
GLY
HA2
2.33
2
6035
33
GLY
HA2
2.33
2
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
4038
67
GLY
HA2
2.37
1
5785
122
GLY
HA2
2.37
2
1062
60
GLY
HA2
2.38
2
434
61
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
6514
73
GLY
HA2
2.4
2
440
26
GLY
HA2
2.4
2
7021
133
GLY
HA2
2.409
2
4282
61
GLY
HA2
2.41
2
5179
23
GLY
HA2
2.41
.
329
37
GLY
HA2
2.42
2
4036
80
GLY
HA2
2.42
2
2071
40
GLY
HA2
2.42
1
1394
37
GLY
HA2
2.42
2
4417
89
GLY
HA2
2.42
2
1198
68
GLY
HA2
2.47
2
4086
81
GLY
HA2
2.48
2
6884
32
GLY
HA2
2.48
2
5878
126
GLY
HA2
2.48
2
4038
107
GLY
HA2
2.49
1
15172
105
GLY
HA2
2.5
2
481
13
GLY
HA2
2.5
2
4918
70
GLY
HA2
2.5
2
5199
30
GLY
HA2
2.5
2
15172
105
GLY
HA2
2.51
2
15172
105
GLY
HA2
2.51
2
4679
122
GLY
HA2
2.51
.
4129
154
GLY
HA2
2.53
2
4735
126
GLY
HA2
2.53
1
6966
21
GLY
HA2
2.54
2
300
1
GLY
HA2
2.54
2
4038
59
GLY
HA2
2.54
1
15315
43
GLY
HA2
2.542
2
4879
61
GLY
HA2
2.55
1
4900
69
GLY
HA2
2.55
2
7269
82
GLY
HA2
2.55
2
7286
30
GLY
HA2
2.555
2
5786
85
GLY
HA2
2.56
1
7106
24
GLY
HA2
2.568
2
6799
66
GLY
HA2
2.57
2
2192
40
GLY
HA2
2.59
2
80
26
GLY
HA2
2.59
2
5597
21
GLY
HA2
2.6
1
11010
114
GLY
HA2
2.609
1
4407
34
GLY
HA2
2.61
2
4062
66
GLY
HA2
2.61
2
7210
25
GLY
HA2
2.622
2
15048
118
GLY
HA2
2.623
2
5779
48
GLY
HA2
2.626
2
4062
74
GLY
HA2
2.64
2
6864
101
GLY
HA2
2.654
2
5597
52
GLY
HA2
2.66
1
5659
154
GLY
HA2
2.66
2
5679
81
GLY
HA2
2.66
2
10138
18
GLY
HA2
2.662
2
6823
154
GLY
HA2
2.67
2
4171
49
GLY
HA2
2.67
1
495
88
GLY
HA2
2.68
2
4053
88
GLY
HA2
2.68
.
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
15230
128
GLY
HA2
2.694
2
15280
97
GLY
HA2
2.695
1