GLY HA3 Chemical Shift Outliers

___________________________________________________
GLY HA3 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
20718
3.890
-3.4
7.578
0.442


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
6035
33
GLY
HA3
5.22
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
7061
27
GLY
HA3
5.25
.
6644
86
GLY
HA3
5.25
2
376
87
GLY
HA3
5.25
2
660
87
GLY
HA3
5.25
2
4985
102
GLY
HA3
5.26
2
260
6
GLY
HA3
5.26
2
408
19
GLY
HA3
5.26
2
5081
86
GLY
HA3
5.268
1
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
4452
66
GLY
HA3
5.303
2
7270
142
GLY
HA3
5.31
2
6634
64
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
5625
64
GLY
HA3
5.32
2
5756
43
GLY
HA3
5.32
2
5382
42
GLY
HA3
5.33
.
6782
134
GLY
HA3
5.34
2
6539
67
GLY
HA3
5.342
2
7189
41
GLY
HA3
5.345
2
15028
12
GLY
HA3
5.347
2
4309
69
GLY
HA3
5.35
2
1657
21
GLY
HA3
5.36
2
1657
38
GLY
HA3
5.36
2
15828
56
GLY
HA3
5.361
2
6692
48
GLY
HA3
5.387
1
5402
34
GLY
HA3
5.39
2
5627
207
GLY
HA3
5.39
2
7297
76
GLY
HA3
5.394
2
5211
113
GLY
HA3
5.405
.
1673
89
GLY
HA3
5.41
2
2030
39
GLY
HA3
5.42
2
5969
23
GLY
HA3
5.42
1
7178
37
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
5576
172
GLY
HA3
5.469
.
4217
57
GLY
HA3
5.47
1
6726
66
GLY
HA3
5.49
2
5577
172
GLY
HA3
5.49
.
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
15622
51
GLY
HA3
5.549
2
6475
101
GLY
HA3
5.579
2
5172
21
GLY
HA3
5.59
1
4577
133
GLY
HA3
5.6
2
5081
69
GLY
HA3
5.607
1
6967
55
GLY
HA3
5.61
2
6723
34
GLY
HA3
5.618
.
15303
56
GLY
HA3
5.62
2
6240
88
GLY
HA3
5.6314
1
6202
37
GLY
HA3
5.64
2
4102
122
GLY
HA3
5.69
2
1207
40
GLY
HA3
5.72
1
5745
46
GLY
HA3
5.74
2
15322
30
GLY
HA3
5.76
2
4602
42
GLY
HA3
5.8
9
6823
147
GLY
HA3
5.82
2
4797
36
GLY
HA3
5.82
2
4797
162
GLY
HA3
5.83
2
5172
16
GLY
HA3
5.86
2
7297
44
GLY
HA3
5.94
2
5802
48
GLY
HA3
5.99
1
77
2
GLY
HA3
6.01
2
5802
48
GLY
HA3
6.01
1
6131
40
GLY
HA3
6.087
1
4837
61
GLY
HA3
6.1
2
4602
41
GLY
HA3
6.15
1
7298
64
GLY
HA3
6.385
2
5172
46
GLY
HA3
6.88
1
4744
11
GLY
HA3
7.31
.
5279
11
GLY
HA3
7.578
.


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
6033
22
GLY
HA3
-.01
1
4471
27
GLY
HA3
-.19
1
5372
29
GLY
HA3
-.25
2
346
34
GLY
HA3
-3.23
1
1192
34
GLY
HA3
-3.4
1
345
34
GLY
HA3
.03
1
922
34
GLY
HA3
.03
2
1720
34
GLY
HA3
.03
1
4578
24
GLY
HA3
.06
1
4854
136
GLY
HA3
.09
.
5086
22
GLY
HA3
.09
2
5088
23
GLY
HA3
.09
2
4854
93
GLY
HA3
.11
.
4854
77
GLY
HA3
.12
.
316
29
GLY
HA3
.12
2
759
24
GLY
HA3
.13
2
4854
109
GLY
HA3
.17
.
4854
61
GLY
HA3
.17
.
7296
24
GLY
HA3
.191
2
5054
18
GLY
HA3
.25
2
1734
24
GLY
HA3
.27
2
4854
159
GLY
HA3
.32
.
4803
39
GLY
HA3
.34
2
4804
39
GLY
HA3
.34
2
4131
41
GLY
HA3
.38
.
4130
41
GLY
HA3
.38
.
4448
18
GLY
HA3
.39
2
4854
79
GLY
HA3
.39
.
4960
24
GLY
HA3
.41
1
4854
160
GLY
HA3
.43
.
4854
235
GLY
HA3
.49
.
1736
29
GLY
HA3
.51
2
4854
137
GLY
HA3
.58
.
1194
34
GLY
HA3
.6
2
4854
155
GLY
HA3
.68
.
4854
156
GLY
HA3
.75
.
4854
227
GLY
HA3
.75
.
4854
193
GLY
HA3
.75
.
4854
228
GLY
HA3
.77
.
4854
117
GLY
HA3
.79
.
5466
21
GLY
HA3
.79
.
4854
80
GLY
HA3
.84
.
1171
29
GLY
HA3
.87
2
6965
124
GLY
HA3
.91
9
4854
212
GLY
HA3
.92
.
4854
127
GLY
HA3
.95
.
4854
96
GLY
HA3
.95
.
6732
23
GLY
HA3
.959
.
274
29
GLY
HA3
.98
2
7179
35
GLY
HA3
.98
2
7367
7
GLY
HA3
0
?
10068
118
GLY
HA3
1.042
2
15671
35
GLY
HA3
1.044
2
5005
50
GLY
HA3
1.06
2
346
46
GLY
HA3
1.09
1
923
46
GLY
HA3
1.09
2
4777
27
GLY
HA3
1.16
1
15444
36
GLY
HA3
1.166
2
5026
41
GLY
HA3
1.25
.
15560
58
GLY
HA3
1.26
2
375
28
GLY
HA3
1.27
2
6088
14
GLY
HA3
1.274
.
15670
35
GLY
HA3
1.295
2
6140
7
GLY
HA3
1.3
2
4206
87
GLY
HA3
1.31
2
922
46
GLY
HA3
1.38
2
345
46
GLY
HA3
1.38
1
5003
50
GLY
HA3
1.39
2
7218
110
GLY
HA3
1.401
.
4173
159
GLY
HA3
1.41
2
7112
88
GLY
HA3
1.437
2
7094
66
GLY
HA3
1.452
2
6966
21
GLY
HA3
1.46
2
5629
72
GLY
HA3
1.498
2
7114
182
GLY
HA3
1.5
2
4189
41
GLY
HA3
1.5
1
10083
29
GLY
HA3
1.502
2
5372
41
GLY
HA3
1.51
2
6807
228
GLY
HA3
1.539
1
6807
182
GLY
HA3
1.546
1
5571
56
GLY
HA3
1.55
2
5540
56
GLY
HA3
1.6
2
5054
102
GLY
HA3
1.62
2
4712
107
GLY
HA3
1.63
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
1719
46
GLY
HA3
1.69
2
4700
10
GLY
HA3
1.706
2
4259
26
GLY
HA3
1.71
1
6191
21
GLY
HA3
1.71
1
5795
24
GLY
HA3
1.717
2
15424
10
GLY
HA3
1.722
2
5088
50
GLY
HA3
1.73
2
4091
130
GLY
HA3
1.73
2
5795
24
GLY
HA3
1.734
2
6398
46
GLY
HA3
1.737
2
5795
24
GLY
HA3
1.74
2
6033
49
GLY
HA3
1.75
1
4735
126
GLY
HA3
1.76
1
5628
158
GLY
HA3
1.78
2
5086
49
GLY
HA3
1.79
2
6591
22
GLY
HA3
1.795
2
4881
53
GLY
HA3
1.8
2
5819
124
GLY
HA3
1.8
2
4302
110
GLY
HA3
1.81
2
4129
154
GLY
HA3
1.81
2
10131
64
GLY
HA3
1.82
2
4218
3
GLY
HA3
1.827
2
5011
5
GLY
HA3
1.84
2
6688
159
GLY
HA3
1.87
1
5304
52
GLY
HA3
1.9
2
4263
141
GLY
HA3
1.91
2
4578
51
GLY
HA3
1.91
2
4156
24
GLY
HA3
1.93
2
5631
63
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
6289
19
GLY
HA3
1.95
2
6133
82
GLY
HA3
1.95
1
133
23
GLY
HA3
1.96
1
5628
158
GLY
HA3
1.96
2
6173
55
GLY
HA3
1.96
2
5304
60
GLY
HA3
1.98
2
6310
130
GLY
HA3
1.989
.
6075
128
GLY
HA3
1.99
1
5396
98
GLY
HA3
2.001
2
7106
24
GLY
HA3
2.011
2
759
51
GLY
HA3
2.02
2
4407
34
GLY
HA3
2.03
2
10115
84
GLY
HA3
2.037
2
7296
51
GLY
HA3
2.045
2
5047
49
GLY
HA3
2.046
1
15335
67
GLY
HA3
2.056
2
4437
17
GLY
HA3
2.06
1
4886
4
GLY
HA3
2.06
2
4761
104
GLY
HA3
2.06
2
15063
156
GLY
HA3
2.061
2
5820
136
GLY
HA3
2.067
.
5697
11
GLY
HA3
2.09
2
6967
21
GLY
HA3
2.1
2
5237
54
GLY
HA3
2.113
2
10080
40
GLY
HA3
2.137
2
4881
4
GLY
HA3
2.14
2
5583
48
GLY
HA3
2.16
1
4668
14
GLY
HA3
2.163
2
4417
26
GLY
HA3
2.17
2
5947
82
GLY
HA3
2.178
2
10058
82
GLY
HA3
2.181
2
6727
32
GLY
HA3
2.184
2
15089
61
GLY
HA3
2.19
2
5741
67
GLY
HA3
2.19
2
4821
143
GLY
HA3
2.195
1
5946
125
GLY
HA3
2.199
2
15189
109
GLY
HA3
2.208
1
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
15578
117
GLY
HA3
2.234
2
6532
81
GLY
HA3
2.252
.
5031
37
GLY
HA3
2.26
2
4553
137
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
6444
117
GLY
HA3
2.287
.
5516
83
GLY
HA3
2.3
2
4448
102
GLY
HA3
2.31
2
15208
29
GLY
HA3
2.318
2
4236
56
GLY
HA3
2.32
1
4329
40
GLY
HA3
2.33
2
4574
81
GLY
HA3
2.33
1
5012
16
GLY
HA3
2.34
2
4848
79
GLY
HA3
2.34
.
6452
12
GLY
HA3
2.34
.
2196
26
GLY
HA3
2.34
2
15128
24
GLY
HA3
2.348
2
5482
72
GLY
HA3
2.35
2
4719
124
GLY
HA3
2.35
1
5100
7
GLY
HA3
2.35
2
2070
40
GLY
HA3
2.35
1
10061
18
GLY
HA3
2.357
2
5100
7
GLY
HA3
2.36
2
6966
55
GLY
HA3
2.36
2
4038
59
GLY
HA3
2.36
1
5947
128
GLY
HA3
2.364
2
6578
166
GLY
HA3
2.367
2
5517
78
GLY
HA3
2.37
1
6626
87
GLY
HA3
2.38
2
1061
61
GLY
HA3
2.38
2
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
4027
139
GLY
HA3
2.4
2
6984
105
GLY
HA3
2.4
2
4038
87
GLY
HA3
2.4
1
5709
76
GLY
HA3
2.4
1
10138
39
GLY
HA3
2.41
2
5179
23
GLY
HA3
2.41
.
10137
81
GLY
HA3
2.418
2
4100
78
GLY
HA3
2.42
2
4077
28
GLY
HA3
2.42
2
2071
40
GLY
HA3
2.42
1
6685
150
GLY
HA3
2.423
2
6376
95
GLY
HA3
2.429
2
4944
24
GLY
HA3
2.44
2
4964
40
GLY
HA3
2.44
1
4064
121
GLY
HA3
2.44
2
4386
26
GLY
HA3
2.45
.
975
40
GLY
HA3
2.45
2
4173
122
GLY
HA3
2.45
2
4465
9
GLY
HA3
2.46
1
6400
60
GLY
HA3
2.469
2
5231
122
GLY
HA3
2.471
1
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
480
13
GLY
HA3
2.5
2
2208
47
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
5267
38
GLY
HA3
2.51
2
5505
99
GLY
HA3
2.51
2
4263
4
GLY
HA3
2.51
2
6334
57
GLY
HA3
2.517
1
10106
16
GLY
HA3
2.521
2
5352
185
GLY
HA3
2.53
2
6928
59
GLY
HA3
2.536
2
3442
59