TYR HE1 Chemical Shift Outliers

___________________________________________________
TYR HE1 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
13087
6.700
4.58
7.852
0.223


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
4818
98
TYR
HE1
7.38
3
19167
78
TYR
HE1
7.389
1
16772
37
TYR
HE1
7.391
1
25200
7
TYR
HE1
7.4
1
6195
36
TYR
HE1
7.41
.
18415
60
TYR
HE1
7.414
3
26844
53
TYR
HE1
7.415
1
11298
33
TYR
HE1
7.419
1
5000
98
TYR
HE1
7.42
3
15893
133
TYR
HE1
7.423
3
25209
5
TYR
HE1
7.43
1
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
11546
82
TYR
HE1
7.467
3
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
.
11537
36
TYR
HE1
7.542
3
18375
110
TYR
HE1
7.56
1
6389
39
TYR
HE1
7.573
.
16848
11
TYR
HE1
7.58
3
16818
11
TYR
HE1
7.58
3
6073
54
TYR
HE1
7.6
.
7209
48
TYR
HE1
7.612
1
1543
12
TYR
HE1
7.63
1
1538
12
TYR
HE1
7.63
1
1539
12
TYR
HE1
7.63
1
1544
12
TYR
HE1
7.63
1
11299
11
TYR
HE1
7.663
1
15120
133
TYR
HE1
7.671
.
1545
12
TYR
HE1
7.68
1
1546
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
15382
32
TYR
HE1
7.71
.
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
6953
66
TYR
HE1
7.829
1
15399
66
TYR
HE1
7.829
1
7142
66
TYR
HE1
7.829
1
26065
5
TYR
HE1
7.852
.


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
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
19984
86
TYR
HE1
5.6
1
18422
21
TYR
HE1
5.61
3
4727
58
TYR
HE1
5.62
1
30247
35
TYR
HE1
5.642
.
17111
85
TYR
HE1
5.642
1
10114
10
TYR
HE1
5.663
1
18853
132
TYR
HE1
5.671
3
2396
138
TYR
HE1
5.68
1
5748
28
TYR
HE1
5.71
1
19523
87
TYR
HE1
5.711
.
10108
48
TYR
HE1
5.712
3
16194
22
TYR
HE1
5.716
3
18899
122
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
19688
23
TYR
HE1
5.739
1
6132
92
TYR
HE1
5.74
1
26001
15
TYR
HE1
5.741
1
4340
84
TYR
HE1
5.75
1
11549
40
TYR
HE1
5.757
3
25974
16
TYR
HE1
5.76
1
34170
16
TYR
HE1
5.76
1
19974
79
TYR
HE1
5.765
3
17957
79
TYR
HE1
5.765
3
19589
151
TYR
HE1
5.767
3
7004
3
TYR
HE1
5.77
1
94
9
TYR
HE1
5.77
3
94
12
TYR
HE1
5.77
3
95
11
TYR
HE1
5.77
3
95
8
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
34068
58
TYR
HE1
5.788
.
6607
92
TYR
HE1
5.79
1
25434
61
TYR
HE1
5.794
.
34067
58
TYR
HE1
5.797
3
15603
112
TYR
HE1
5.808
3
6910
50
TYR
HE1
5.81
1
26517
37
TYR
HE1
5.811
1
1416
76
TYR
HE1
5.82
1
4830
12
TYR
HE1
5.82
1
18281
84
TYR
HE1
5.83
1
15782
38
TYR
HE1
5.83
3
27435
68
TYR
HE1
5.836
1
5756
22
TYR
HE1
5.84
1
19367
75
TYR
HE1
5.842
1
30070
26
TYR
HE1
5.856
1
18878
73
TYR
HE1
5.857
3
18000
167
TYR
HE1
5.86
3
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
6910
14
TYR
HE1
5.87
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
4671
83
TYR
HE1
5.88
1
4043
44
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
6353
8
TYR
HE1
5.89
1
17160
3
TYR
HE1
5.89
1
4127
51
TYR
HE1
5.89
3
17623
8
TYR
HE1
5.895
1
18682
41
TYR
HE1
5.9
.
15327
78
TYR
HE1
5.91
3
11145
73
TYR
HE1
5.915
1
17398
90
TYR
HE1
5.92
3
19625
97
TYR
HE1
5.93
3
7063
35
TYR
HE1
5.93
1
394
38
TYR
HE1
5.93
1
5672
41
TYR
HE1
5.93
.
5999
84
TYR
HE1
5.93
1
7063
37
TYR
HE1
5.932
1
17816
14
TYR
HE1
5.937
3
17418
98
TYR
HE1
5.939
.
5120
10
TYR
HE1
5.94
1
34089
31
TYR
HE1
5.941
3
18112
148
TYR
HE1
5.945
1
16801
35
TYR
HE1
5.95
3
19598
51
TYR
HE1
5.952
3
18694
55
TYR
HE1
5.957
3
6125
164
TYR
HE1
5.96
3
25242
56
TYR
HE1
5.96
1
25512
35
TYR
HE1
5.96
3
16694
48
TYR
HE1
5.962
.
34256
67
TYR
HE1
5.964
3
19391
37
TYR
HE1
5.969
3
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
25242
56
TYR
HE1
5.974
1
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
27435
89
TYR
HE1
5.982
1
30086
109
TYR
HE1
5.983
3
30085
109
TYR
HE1
5.983
3
30083
109
TYR
HE1
5.983
3
30081
109
TYR
HE1
5.983
3
30084
109
TYR
HE1
5.983
3
30080
109
TYR
HE1
5.983
3
30082
109
TYR
HE1
5.983
3
6095
55
TYR
HE1
5.986
3
18314
55
TYR
HE1
5.987
3
18315
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
18900
66
TYR
HE1
5.994
3
10330
70
TYR
HE1
5.994
1
18846
20
TYR
HE1
5.999
1
34008
16
TYR
HE1
5.999
1
6538
65
TYR
HE1
6
3
1478
43
TYR
HE1
6
1
1729
10
TYR
HE1
6
1
25498
62
TYR
HE1
6.001
3
19800
52
TYR
HE1
6.001
.
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
25979
3
TYR
HE1
6.015
3
16446
52
TYR
HE1
6.015
3
19431
32
TYR
HE1
6.016
1
10160
80
TYR
HE1
6.016
1
25881
30
TYR
HE1
6.019
3
11252
80
TYR
HE1
6.019
3
16607
98
TYR
HE1
6.02
1
18312
82
TYR
HE1
6.02
1
19653
20
TYR
HE1
6.024
3
4919
112
TYR
HE1
6.026
1
4234
22
TYR
HE1
6.0262
1
4234
25
TYR
HE1
6.0273
3
17883
28
TYR
HE1
6.028
3
4233
13
TYR
HE1
6.0281
3