TYR HE2 Chemical Shift Outliers

___________________________________________________
TYR HE2 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
11508
6.701
4.56
8.5
0.228


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
19167
78
TYR
HE2
7.389
1
16772
37
TYR
HE2
7.391
1
25200
7
TYR
HE2
7.4
1
26844
53
TYR
HE2
7.415
1
11298
33
TYR
HE2
7.419
1
15893
133
TYR
HE2
7.423
3
4990
15
TYR
HE2
7.43
1
25209
5
TYR
HE2
7.43
1
17738
131
TYR
HE2
7.431
3
5185
11
TYR
HE2
7.45
1
17711
103
TYR
HE2
7.4542
3
4920
21
TYR
HE2
7.46
1
1416
57
TYR
HE2
7.46
1
11546
82
TYR
HE2
7.467
3
4142
79
TYR
HE2
7.47
1
15927
148
TYR
HE2
7.473
1
16100
20
TYR
HE2
7.503
1
11537
36
TYR
HE2
7.542
3
18375
110
TYR
HE2
7.56
1
7209
48
TYR
HE2
7.612
1
1544
12
TYR
HE2
7.63
1
1538
12
TYR
HE2
7.63
1
1539
12
TYR
HE2
7.63
1
1543
12
TYR
HE2
7.63
1
7058
29
TYR
HE2
7.662
1
11299
11
TYR
HE2
7.663
1
1546
12
TYR
HE2
7.68
1
1545
12
TYR
HE2
7.68
1
4901
49
TYR
HE2
7.68
1
11299
17
TYR
HE2
7.681
1
15382
32
TYR
HE2
7.71
.
18011
128
TYR
HE2
7.712
3
17278
87
TYR
HE2
7.717
3
11299
59
TYR
HE2
7.771
1
18999
5
TYR
HE2
7.801
.
18998
5
TYR
HE2
7.801
.
26065
5
TYR
HE2
7.852
.
16616
128
TYR
HE2
8.284
1
16328
128
TYR
HE2
8.285
3
15394
127
TYR
HE2
8.285
3
6953
127
TYR
HE2
8.287
1
7142
127
TYR
HE2
8.287
1
15399
127
TYR
HE2
8.287
1
7142
37
TYR
HE2
8.299
3
6953
37
TYR
HE2
8.299
3
15399
37
TYR
HE2
8.299
3
16616
38
TYR
HE2
8.314
3
1700
13
TYR
HE2
8.5
3


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
1416
76
TYR
HE2
4.56
1
1334
27
TYR
HE2
4.58
1
19169
93
TYR
HE2
4.967
3
16164
61
TYR
HE2
5
1
16632
27
TYR
HE2
5.001
3
16632
27
TYR
HE2
5.002
3
15782
38
TYR
HE2
5.16
3
11388
24
TYR
HE2
5.29
1
2198
80
TYR
HE2
5.29
1
17370
46
TYR
HE2
5.38
3
5029
41
TYR
HE2
5.43
1
16572
55
TYR
HE2
5.59
3
11366
55
TYR
HE2
5.593
1
11142
108
TYR
HE2
5.596
1
18422
21
TYR
HE2
5.61
3
4727
58
TYR
HE2
5.62
1
17111
85
TYR
HE2
5.642
1
30247
35
TYR
HE2
5.642
.
10114
10
TYR
HE2
5.663
1
18853
132
TYR
HE2
5.671
3
2396
138
TYR
HE2
5.68
1
5748
28
TYR
HE2
5.71
1
19523
87
TYR
HE2
5.711
.
18899
122
TYR
HE2
5.716
3
16194
22
TYR
HE2
5.716
3
17447
98
TYR
HE2
5.72
3
11322
49
TYR
HE2
5.726
1
4327
120
TYR
HE2
5.73
1
19688
23
TYR
HE2
5.739
1
6132
92
TYR
HE2
5.74
1
26001
15
TYR
HE2
5.741
1
4340
84
TYR
HE2
5.75
1
11549
40
TYR
HE2
5.757
3
34170
16
TYR
HE2
5.76
1
25974
16
TYR
HE2
5.76
1
17957
79
TYR
HE2
5.765
3
19974
79
TYR
HE2
5.765
3
19589
151
TYR
HE2
5.767
3
7004
3
TYR
HE2
5.77
1
6727
92
TYR
HE2
5.775
1
17277
57
TYR
HE2
5.785
3
17622
8
TYR
HE2
5.787
1
34068
58
TYR
HE2
5.788
.
6607
92
TYR
HE2
5.79
1
25434
61
TYR
HE2
5.794
.
15603
112
TYR
HE2
5.808
3
6910
50
TYR
HE2
5.81
1
21
13
TYR
HE2
5.81
3
21
10
TYR
HE2
5.81
3
26517
37
TYR
HE2
5.811
1
4830
12
TYR
HE2
5.82
1
25800
14
TYR
HE2
5.82
1
18281
84
TYR
HE2
5.83
1
27435
68
TYR
HE2
5.836
1
5756
22
TYR
HE2
5.84
1
19367
75
TYR
HE2
5.842
1
30070
26
TYR
HE2
5.856
1
18878
73
TYR
HE2
5.857
3
15895
19
TYR
HE2
5.863
3
15894
19
TYR
HE2
5.863
3
4821
85
TYR
HE2
5.865
3
17747
147
TYR
HE2
5.869
1
6910
14
TYR
HE2
5.87
1
18086
18
TYR
HE2
5.876
1
16675
143
TYR
HE2
5.877
3
6299
17
TYR
HE2
5.88
3
5490
83
TYR
HE2
5.88
1
4043
44
TYR
HE2
5.88
1
25556
167
TYR
HE2
5.88
3
4671
83
TYR
HE2
5.88
1
4377
28
TYR
HE2
5.88
1
17737
56
TYR
HE2
5.886
3
15896
19
TYR
HE2
5.887
3
15897
19
TYR
HE2
5.887
3
6353
8
TYR
HE2
5.89
1
17623
8
TYR
HE2
5.895
1
18682
41
TYR
HE2
5.9
.
11145
73
TYR
HE2
5.915
1
17398
90
TYR
HE2
5.92
3
394
38
TYR
HE2
5.93
1
19625
97
TYR
HE2
5.93
3
7063
35
TYR
HE2
5.93
1
7063
37
TYR
HE2
5.932
1
17816
14
TYR
HE2
5.937
3
17418
98
TYR
HE2
5.939
.
34089
31
TYR
HE2
5.941
3
18112
148
TYR
HE2
5.945
1
18694
55
TYR
HE2
5.957
3
25242
56
TYR
HE2
5.96
1
25512
35
TYR
HE2
5.96
3
34256
67
TYR
HE2
5.964
3
19391
37
TYR
HE2
5.969
3
1674
10
TYR
HE2
5.97
1
6731
43
TYR
HE2
5.971
1
17250
216
TYR
HE2
5.971
3
25242
56
TYR
HE2
5.974
1
17816
63
TYR
HE2
5.974
3
10320
90
TYR
HE2
5.979
1
2249
10
TYR
HE2
5.98
1
4043
37
TYR
HE2
5.98
1
27435
89
TYR
HE2
5.982
1
18653
127
TYR
HE2
5.987
1
6578
133
TYR
HE2
5.99
1
2852
26
TYR
HE2
5.99
1
18710
10
TYR
HE2
5.99
.
18900
66
TYR
HE2
5.994
3
10330
70
TYR
HE2
5.994
1
34008
16
TYR
HE2
5.999
1
18846
20
TYR
HE2
5.999
1
1478
43
TYR
HE2
6
1
1729
10
TYR
HE2
6
1
25498
62
TYR
HE2
6.001
3
19800
52
TYR
HE2
6.001
.
6277
145
TYR
HE2
6.007
1
15924
156
TYR
HE2
6.008
3
6729
32
TYR
HE2
6.01
1