TYR HE1 Chemical Shift Outliers

___________________________________________________
TYR HE1 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
9808
6.700
4.58
7.86
0.227


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
16772
37
TYR
HE1
7.391
1
6195
36
TYR
HE1
7.41
.
18415
60
TYR
HE1
7.414
3
11298
33
TYR
HE1
7.419
1
5000
98
TYR
HE1
7.42
3
15893
133
TYR
HE1
7.423
3
5672
4
TYR
HE1
7.43
.
4990
15
TYR
HE1
7.43
1
4581
13
TYR
HE1
7.44
3
5185
11
TYR
HE1
7.45
1
17711
103
TYR
HE1
7.4542
3
4920
21
TYR
HE1
7.46
1
4142
79
TYR
HE1
7.47
1
15927
148
TYR
HE1
7.473
1
7058
29
TYR
HE1
7.481
1
16100
20
TYR
HE1
7.503
1
15798
155
TYR
HE1
7.516
3
5552
102
TYR
HE1
7.52
3
6356
68
TYR
HE1
7.521
.
18375
110
TYR
HE1
7.56
1
6389
39
TYR
HE1
7.573
.
16818
11
TYR
HE1
7.58
3
16848
11
TYR
HE1
7.58
3
6073
54
TYR
HE1
7.6
.
7209
48
TYR
HE1
7.612
1
1544
12
TYR
HE1
7.63
1
1539
12
TYR
HE1
7.63
1
1543
12
TYR
HE1
7.63
1
1538
12
TYR
HE1
7.63
1
11299
11
TYR
HE1
7.663
1
15120
133
TYR
HE1
7.671
.
1546
12
TYR
HE1
7.68
1
1545
12
TYR
HE1
7.68
1
4901
49
TYR
HE1
7.68
1
11299
17
TYR
HE1
7.681
1
5880
83
TYR
HE1
7.706
2
18011
128
TYR
HE1
7.712
3
17278
87
TYR
HE1
7.758
3
11299
59
TYR
HE1
7.771
1
16616
67
TYR
HE1
7.785
3
15399
66
TYR
HE1
7.829
1
7142
66
TYR
HE1
7.829
1
6953
66
TYR
HE1
7.829
1
4321
161
TYR
HE1
7.86
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
1334
27
TYR
HE1
4.58
1
19169
93
TYR
HE1
4.967
3
16164
61
TYR
HE1
5
1
16632
27
TYR
HE1
5.001
3
16632
27
TYR
HE1
5.002
3
11388
24
TYR
HE1
5.29
1
2198
80
TYR
HE1
5.29
1
17420
20
TYR
HE1
5.344
3
17370
46
TYR
HE1
5.38
3
5029
41
TYR
HE1
5.43
1
16572
55
TYR
HE1
5.59
3
11366
55
TYR
HE1
5.593
1
11142
108
TYR
HE1
5.596
1
18422
21
TYR
HE1
5.61
3
4727
58
TYR
HE1
5.62
1
17111
85
TYR
HE1
5.642
1
10114
10
TYR
HE1
5.663
1
2396
138
TYR
HE1
5.68
1
5748
28
TYR
HE1
5.71
1
10108
48
TYR
HE1
5.712
3
16194
22
TYR
HE1
5.716
3
17447
98
TYR
HE1
5.72
3
11322
49
TYR
HE1
5.726
1
4327
120
TYR
HE1
5.73
1
6132
92
TYR
HE1
5.74
1
4340
84
TYR
HE1
5.75
1
17957
79
TYR
HE1
5.765
3
7004
3
TYR
HE1
5.77
1
95
11
TYR
HE1
5.77
3
95
8
TYR
HE1
5.77
3
94
12
TYR
HE1
5.77
3
94
9
TYR
HE1
5.77
3
17518
86
TYR
HE1
5.775
2
6727
92
TYR
HE1
5.775
1
17277
57
TYR
HE1
5.785
3
17622
8
TYR
HE1
5.787
1
6607
92
TYR
HE1
5.79
1
15603
112
TYR
HE1
5.808
3
4830
12
TYR
HE1
5.82
1
1416
76
TYR
HE1
5.82
1
15782
38
TYR
HE1
5.83
3
18281
84
TYR
HE1
5.83
1
5756
22
TYR
HE1
5.84
1
18878
73
TYR
HE1
5.857
3
16315
26
TYR
HE1
5.86
3
18000
167
TYR
HE1
5.86
3
4775
56
TYR
HE1
5.86
1
15895
19
TYR
HE1
5.863
3
15894
19
TYR
HE1
5.863
3
11320
82
TYR
HE1
5.864
3
17747
147
TYR
HE1
5.869
1
18086
18
TYR
HE1
5.876
1
16675
143
TYR
HE1
5.877
3
5490
83
TYR
HE1
5.88
1
4377
28
TYR
HE1
5.88
1
4043
44
TYR
HE1
5.88
1
4671
83
TYR
HE1
5.88
1
17737
56
TYR
HE1
5.886
3
15897
19
TYR
HE1
5.887
3
15896
19
TYR
HE1
5.887
3
17160
3
TYR
HE1
5.89
1
17623
8
TYR
HE1
5.895
1
18682
41
TYR
HE1
5.9
.
17481
74
TYR
HE1
5.906
1
15327
78
TYR
HE1
5.91
3
11145
73
TYR
HE1
5.915
1
17398
90
TYR
HE1
5.92
3
5672
41
TYR
HE1
5.93
.
394
38
TYR
HE1
5.93
1
5999
84
TYR
HE1
5.93
1
7063
35
TYR
HE1
5.93
1
7063
37
TYR
HE1
5.932
1
17816
14
TYR
HE1
5.937
3
5120
10
TYR
HE1
5.94
1
18112
148
TYR
HE1
5.945
1
16801
35
TYR
HE1
5.95
3
18694
55
TYR
HE1
5.957
3
6125
164
TYR
HE1
5.96
3
16694
48
TYR
HE1
5.962
.
1674
10
TYR
HE1
5.97
1
15816
99
TYR
HE1
5.97
3
6731
43
TYR
HE1
5.971
1
17250
216
TYR
HE1
5.971
3
17816
63
TYR
HE1
5.974
3
10320
90
TYR
HE1
5.979
1
4043
37
TYR
HE1
5.98
1
2249
10
TYR
HE1
5.98
1
6095
55
TYR
HE1
5.986
3
18315
55
TYR
HE1
5.987
3
18314
55
TYR
HE1
5.987
3
18653
127
TYR
HE1
5.987
1
2852
26
TYR
HE1
5.99
1
6578
133
TYR
HE1
5.99
1
10330
70
TYR
HE1
5.994
1
18900
66
TYR
HE1
5.994
3
18846
20
TYR
HE1
5.999
1
6538
65
TYR
HE1
6
3
1478
43
TYR
HE1
6
1
1729
10
TYR
HE1
6
1
6507
46
TYR
HE1
6
.
5242
35
TYR
HE1
6.005
1
6277
145
TYR
HE1
6.007
1
15924
156
TYR
HE1
6.008
3
6729
32
TYR
HE1
6.01
1
11102
67
TYR
HE1
6.014
1
16446
52
TYR
HE1
6.015
3
10160
80
TYR
HE1
6.016
1
11252
80
TYR
HE1
6.019
3