TYR HE2 Chemical Shift Outliers

___________________________________________________
TYR HE2 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
15748
6.689
.43
11.7
0.322


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
27434
7
TYR
HE2
10.1
1
27434
206
TYR
HE2
10.5
1
27434
264
TYR
HE2
10.8
1
2352
64
TYR
HE2
11.7
3
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
190
79
TYR
HE2
7.75
1
19834
6
TYR
HE2
7.763
.
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
.
4321
161
TYR
HE2
7.86
1
1647
53
TYR
HE2
7.93
1
4435
69
TYR
HE2
8.02
1
16616
128
TYR
HE2
8.284
1
15394
127
TYR
HE2
8.285
3
16328
128
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
19638
53
TYR
HE2
8.299
.
15399
37
TYR
HE2
8.299
3
16616
38
TYR
HE2
8.314
3
1700
13
TYR
HE2
8.5
3
1394
91
TYR
HE2
8.62
1
5026
67
TYR
HE2
8.65
.
27434
179
TYR
HE2
8.8
1
6444
138
TYR
HE2
9.035
.


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
4189
67
TYR
HE2
.43
1
5372
67
TYR
HE2
.44
1
1166
155
TYR
HE2
2.61
1
1166
29
TYR
HE2
2.79
1
1166
85
TYR
HE2
2.79
1
1168
85
TYR
HE2
2.8
1
1163
85
TYR
HE2
2.8
1
1348
85
TYR
HE2
2.8
1
1346
85
TYR
HE2
2.8
1
1165
155
TYR
HE2
2.8
1
1347
85
TYR
HE2
2.8
1
1167
85
TYR
HE2
2.8
1
1164
85
TYR
HE2
2.81
1
1165
85
TYR
HE2
2.81
1
1163
155
TYR
HE2
2.83
1
1168
68
TYR
HE2
2.85
1
1168
155
TYR
HE2
2.86
1
1164
155
TYR
HE2
2.87
1
1164
68
TYR
HE2
2.87
1
1165
68
TYR
HE2
2.88
1
1167
155
TYR
HE2
2.89
1
1163
29
TYR
HE2
2.91
1
1167
68
TYR
HE2
2.91
1
1166
68
TYR
HE2
2.91
1
1346
68
TYR
HE2
2.91
1
1163
68
TYR
HE2
2.92
1
1165
29
TYR
HE2
2.92
1
1347
68
TYR
HE2
2.92
1
1348
68
TYR
HE2
2.92
1
1168
29
TYR
HE2
2.92
1
1164
29
TYR
HE2
2.92
1
1346
155
TYR
HE2
2.95
1
1348
155
TYR
HE2
2.95
1
1347
155
TYR
HE2
2.96
1
1167
29
TYR
HE2
2.98
1
25907
67
TYR
HE2
3.009
.
1346
29
TYR
HE2
3.01
1
1348
29
TYR
HE2
3.02
1
1347
29
TYR
HE2
3.03
1
5296
55
TYR
HE2
3.13
.
25908
46
TYR
HE2
4.478
.
759
27
TYR
HE2
4.53
1
1416
76
TYR
HE2
4.56
1
1334
27
TYR
HE2
4.58
1
5333
66
TYR
HE2
4.77
1
4436
69
TYR
HE2
4.78
1
19169
93
TYR
HE2
4.967
3
16233
51
TYR
HE2
4.983
3
16164
61
TYR
HE2
5
1
16632
27
TYR
HE2
5.001
3
16632
27
TYR
HE2
5.002
3
6286
57
TYR
HE2
5.03
1
923
51
TYR
HE2
5.07
3
16674
65
TYR
HE2
5.112
3
19638
51
TYR
HE2
5.115
.
15782
38
TYR
HE2
5.16
3
17903
51
TYR
HE2
5.223
.
25908
48
TYR
HE2
5.281
.
11388
24
TYR
HE2
5.29
1
2198
80
TYR
HE2
5.29
1
4435
46
TYR
HE2
5.29
1
10120
81
TYR
HE2
5.324
1
4761
13
TYR
HE2
5.33
1
5625
43
TYR
HE2
5.36
1
17370
46
TYR
HE2
5.38
3
5275
132
TYR
HE2
5.407
1
19945
94
TYR
HE2
5.42
.
5029
41
TYR
HE2
5.43
1
7297
101
TYR
HE2
5.448
1
25660
97
TYR
HE2
5.457
1
6634
43
TYR
HE2
5.46
1
346
51
TYR
HE2
5.48
1
16251
59
TYR
HE2
5.496
1
25907
97
TYR
HE2
5.562
.
4078
66
TYR
HE2
5.57
1
5406
97
TYR
HE2
5.571
3
34227
69
TYR
HE2
5.583
1
34229
69
TYR
HE2
5.583
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
27313
52
TYR
HE2
5.627
3
5026
97
TYR
HE2
5.63
.
17111
85
TYR
HE2
5.642
1
30247
35
TYR
HE2
5.642
.
4436
46
TYR
HE2
5.65
1
25766
169
TYR
HE2
5.657
1
18782
12
TYR
HE2
5.657
3
10114
10
TYR
HE2
5.663
1
18853
132
TYR
HE2
5.671
3
1171
97
TYR
HE2
5.68
3
2396
138
TYR
HE2
5.68
1
30285
42
TYR
HE2
5.683
1
5947
98
TYR
HE2
5.69
1
17754
19
TYR
HE2
5.71
3
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