TYR HD2 Chemical Shift Outliers

___________________________________________________
TYR HD2 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
12045
6.930
4.43
8.538
0.293


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
16882
45
TYR
HD2
7.823
1
18552
72
TYR
HD2
7.83
3
26774
106
TYR
HD2
7.87
1
2169
35
TYR
HD2
7.9
3
11299
59
TYR
HD2
7.906
1
18010
39
TYR
HD2
7.91
3
26774
140
TYR
HD2
7.935
1
4968
35
TYR
HD2
7.948
2
6132
108
TYR
HD2
7.95
4
5628
141
TYR
HD2
7.99
1
25740
47
TYR
HD2
7.999
1
4092
31
TYR
HD2
8
1
11299
17
TYR
HD2
8.013
1
19600
12
TYR
HD2
8.064
.
1700
13
TYR
HD2
8.5
3
19869
17
TYR
HD2
8.538
3


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
247
14
TYR
HD2
4.43
1
17816
63
TYR
HD2
4.684
3
11329
52
TYR
HD2
4.974
1
11322
49
TYR
HD2
5.032
1
6976
40
TYR
HD2
5.124
1
16164
61
TYR
HD2
5.16
1
11126
107
TYR
HD2
5.285
1
6760
50
TYR
HD2
5.34
1
7004
3
TYR
HD2
5.4
1
11142
108
TYR
HD2
5.407
1
5524
65
TYR
HD2
5.42
1
5524
85
TYR
HD2
5.43
1
18569
16
TYR
HD2
5.447
3
15808
106
TYR
HD2
5.45
3
5299
148
TYR
HD2
5.45
1
15789
54
TYR
HD2
5.452
3
17239
47
TYR
HD2
5.467
3
4043
44
TYR
HD2
5.48
1
10138
34
TYR
HD2
5.482
1
6222
45
TYR
HD2
5.49
1
19624
128
TYR
HD2
5.502
1
19666
30
TYR
HD2
5.519
1
4879
129
TYR
HD2
5.52
1
5884
96
TYR
HD2
5.52
1
26016
9
TYR
HD2
5.522
3
10312
28
TYR
HD2
5.538
1
10253
28
TYR
HD2
5.542
1
10280
17
TYR
HD2
5.543
1
1478
43
TYR
HD2
5.55
1
5360
16
TYR
HD2
5.56
.
18231
74
TYR
HD2
5.569
1
4377
28
TYR
HD2
5.57
1
18087
74
TYR
HD2
5.578
1
18277
53
TYR
HD2
5.58
3
5756
3
TYR
HD2
5.59
1
11033
58
TYR
HD2
5.596
1
11143
25
TYR
HD2
5.599
1
4045
112
TYR
HD2
5.6
1
19523
64
TYR
HD2
5.616
.
18244
63
TYR
HD2
5.62
3
15603
112
TYR
HD2
5.625
3
10241
53
TYR
HD2
5.627
1
2476
78
TYR
HD2
5.63
1
30569
122
TYR
HD2
5.632
1
15927
141
TYR
HD2
5.638
1
19688
20
TYR
HD2
5.641
1
11032
56
TYR
HD2
5.646
1
15211
17
TYR
HD2
5.65
3
5756
22
TYR
HD2
5.66
1
18390
45
TYR
HD2
5.677
3
17250
216
TYR
HD2
5.679
3
6731
43
TYR
HD2
5.679
1
4793
97
TYR
HD2
5.68
1
11388
24
TYR
HD2
5.683
1
6578
80
TYR
HD2
5.69
1
19282
70
TYR
HD2
5.7
.
34061
46
TYR
HD2
5.701
1
10136
44
TYR
HD2
5.715
1
11142
23
TYR
HD2
5.719
1
18853
132
TYR
HD2
5.725
3
6769
52
TYR
HD2
5.726
1
17995
74
TYR
HD2
5.726
3
30491
76
TYR
HD2
5.732
1
17685
106
TYR
HD2
5.735
3
10131
36
TYR
HD2
5.74
1
6794
87
TYR
HD2
5.74
1
4079
15
TYR
HD2
5.74
1
17418
98
TYR
HD2
5.747
.
18900
72
TYR
HD2
5.753
3
5887
18
TYR
HD2
5.76
1
16572
55
TYR
HD2
5.76
3
10149
25
TYR
HD2
5.762
1
11147
23
TYR
HD2
5.768
1
16630
135
TYR
HD2
5.773
3
15740
29
TYR
HD2
5.794
3
10114
10
TYR
HD2
5.796
1
1891
23
TYR
HD2
5.8
1
18415
106
TYR
HD2
5.801
3
7330
47
TYR
HD2
5.81
.
17238
47
TYR
HD2
5.81
3
18709
15
TYR
HD2
5.811
3
5824
28
TYR
HD2
5.82
1
25979
29
TYR
HD2
5.82
3
11549
40
TYR
HD2
5.824
3
15377
15
TYR
HD2
5.829
.
7287
41
TYR
HD2
5.829
1
11315
46
TYR
HD2
5.83
1
6097
5
TYR
HD2
5.83
1
25139
103
TYR
HD2
5.83
3
18592
23
TYR
HD2
5.832
3
34259
29
TYR
HD2
5.835
.
34061
71
TYR
HD2
5.835
1
30296
6
TYR
HD2
5.836
3
4540
38
TYR
HD2
5.84
1
17508
33
TYR
HD2
5.845
1
18653
74
TYR
HD2
5.845
1
11143
110
TYR
HD2
5.846
1
15927
136
TYR
HD2
5.859
1
11145
25
TYR
HD2
5.866
1
11278
38
TYR
HD2
5.871
1
11532
19
TYR
HD2
5.877
1
30492
76
TYR
HD2
5.877
1
19726
25
TYR
HD2
5.878
1
19807
74
TYR
HD2
5.88
1
18281
84
TYR
HD2
5.88
1
16362
135
TYR
HD2
5.885
1
16630
140
TYR
HD2
5.886
3
18531
45
TYR
HD2
5.89
1
6454
122
TYR
HD2
5.89
1
34080
30
TYR
HD2
5.891
1
16083
65
TYR
HD2
5.894
3
19687
43
TYR
HD2
5.895
3
25799
11
TYR
HD2
5.895
1
19800
52
TYR
HD2
5.898
.
34067
41
TYR
HD2
5.899
2
5232
70
TYR
HD2
5.9
1
6644
8
TYR
HD2
5.9
3
11126
23
TYR
HD2
5.901
1
25139
103
TYR
HD2
5.904
3
19589
151
TYR
HD2
5.904
3
11126
109
TYR
HD2
5.906
1
17139
128
TYR
HD2
5.908
3
2575
45
TYR
HD2
5.91
1
34068
41
TYR
HD2
5.91
.
16161
60
TYR
HD2
5.913
1
5963
86
TYR
HD2
5.919
1
11132
19
TYR
HD2
5.921
1
17287
15
TYR
HD2
5.921
3
6631
69
TYR
HD2
5.921
1
17112
23
TYR
HD2
5.9219
1
395
38
TYR
HD2
5.93
1
17323
135
TYR
HD2
5.932
1
25798
11
TYR
HD2
5.934
1
15770
78
TYR
HD2
5.94
3
18303
189
TYR
HD2
5.941
1
19367
75
TYR
HD2
5.949
1
5524
34
TYR
HD2
5.95
1
19225
131
TYR
HD2
5.953
1
15804
28
TYR
HD2
5.955
1
15688
34
TYR
HD2
5.962
3
19290
28
TYR
HD2
5.962
3
15039
34
TYR
HD2
5.962
1
19806
80
TYR
HD2
5.964
3
5072
74
TYR
HD2
5.967
1
18081
95
TYR
HD2
5.967
1
15770
78
TYR
HD2
5.97
3
7063
75
TYR
HD2
5.97
1
5628
51
TYR
HD2
5.97
1
25767
25
TYR
HD2
5.972
.
25767
26
TYR
HD2
5.973
.
34256
29
TYR
HD2
5.975
3
17318
96
TYR
HD2
5.976
3
15057
39
TYR
HD2
5.986
1
34068
33
TYR
HD2
5.989
.
16362
140
TYR
HD2
5.989
1
6760
86
TYR
HD2
5.99
1
11275
28
TYR
HD2
5.991
1
11132
18
TYR
HD2
5.992
1
10149
110
TYR
HD2
5.994
1
11408
31
TYR
HD2
5.995
1
19417
4
TYR
HD2
5.996
3
16428
57
TYR
HD2
5.999
3
15723
70
TYR
HD2
5.999
3
6334
34
TYR
HD2
6
1
5819
105
TYR
HD2
6
1
27146
132
TYR
HD2
6.001
3
19169
93
TYR
HD2
6.006
3
7362
9
TYR
HD2
6.01
3
16991
111
TYR
HD2
6.014
1
18047
109
TYR
HD2
6.014
3
16715
198
TYR
HD2
6.018
1
16738
198
TYR
HD2
6.018
1
5280
53
TYR
HD2
6.02
1
4228
5
TYR
HD2
6.02
.
4840
154
TYR
HD2
6.02
1
6727
92
TYR
HD2
6.025
1
4919
112
TYR
HD2
6.026
1
4234
25
TYR
HD2
6.0269
3
18681
36
TYR
HD2
6.028
.
4234
22
TYR
HD2
6.0289
1
16084
44
TYR
HD2
6.03
3
4227
5
TYR
HD2
6.03
.
5719
99
TYR
HD2
6.032
1
30480
35
TYR
HD2
6.034
.
19321
36
TYR
HD2
6.036
3
19321
9
TYR
HD2
6.036
3
15127
45
TYR
HD2
6.038
1
15740
63
TYR
HD2
6.039
3
15243
88
TYR
HD2
6.04
1
16446
118
TYR
HD2
6.041
3
18637
115
TYR
HD2
6.043
1
1639
50
TYR
HD2
6.05
1
25800
14
TYR
HD2
6.05
1
11456
72
TYR
HD2
6.05
1