TYR HE1 Chemical Shift Outliers

___________________________________________________
TYR HE1 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
18281
6.690
.08
11.8
0.311


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
27434
264
TYR
HE1
11.7
1
2352
64
TYR
HE1
11.8
3
1538
12
TYR
HE1
7.63
1
1544
12
TYR
HE1
7.63
1
1539
12
TYR
HE1
7.63
1
1543
12
TYR
HE1
7.63
1
5325
48
TYR
HE1
7.633
3
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
190
79
TYR
HE1
7.75
1
17278
87
TYR
HE1
7.758
3
19834
6
TYR
HE1
7.763
.
11299
59
TYR
HE1
7.771
1
16616
67
TYR
HE1
7.785
3
17903
72
TYR
HE1
7.8
.
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
.
4321
161
TYR
HE1
7.86
1
1647
53
TYR
HE1
7.93
1
4435
69
TYR
HE1
8.02
1
1646
53
TYR
HE1
8.23
3
19638
53
TYR
HE1
8.299
.
1394
91
TYR
HE1
8.62
1
5026
67
TYR
HE1
8.65
.
6444
138
TYR
HE1
9.035
.
25681
27
TYR
HE1
9.182
.


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
5372
67
TYR
HE1
.08
1
4189
67
TYR
HE1
.1
1
1166
155
TYR
HE1
2.61
1
5296
55
TYR
HE1
2.78
.
1166
85
TYR
HE1
2.79
1
1166
29
TYR
HE1
2.79
1
1165
155
TYR
HE1
2.8
1
1168
85
TYR
HE1
2.8
1
1346
85
TYR
HE1
2.8
1
1167
85
TYR
HE1
2.8
1
1348
85
TYR
HE1
2.8
1
1347
85
TYR
HE1
2.8
1
1163
85
TYR
HE1
2.8
1
1165
85
TYR
HE1
2.81
1
1164
85
TYR
HE1
2.81
1
1163
155
TYR
HE1
2.83
1
1168
68
TYR
HE1
2.85
1
1168
155
TYR
HE1
2.86
1
1164
155
TYR
HE1
2.87
1
1164
68
TYR
HE1
2.87
1
1165
68
TYR
HE1
2.88
1
1167
155
TYR
HE1
2.89
1
1163
29
TYR
HE1
2.91
1
1346
68
TYR
HE1
2.91
1
1166
68
TYR
HE1
2.91
1
1167
68
TYR
HE1
2.91
1
1163
68
TYR
HE1
2.92
1
1348
68
TYR
HE1
2.92
1
1168
29
TYR
HE1
2.92
1
1165
29
TYR
HE1
2.92
1
1164
29
TYR
HE1
2.92
1
1347
68
TYR
HE1
2.92
1
1346
155
TYR
HE1
2.95
1
1348
155
TYR
HE1
2.95
1
1347
155
TYR
HE1
2.96
1
1167
29
TYR
HE1
2.98
1
25907
67
TYR
HE1
3.009
.
1346
29
TYR
HE1
3.01
1
1348
29
TYR
HE1
3.02
1
1347
29
TYR
HE1
3.03
1
17903
51
TYR
HE1
3.491
.
19638
51
TYR
HE1
3.686
.
759
27
TYR
HE1
4.53
1
1334
27
TYR
HE1
4.58
1
5333
66
TYR
HE1
4.77
1
4436
69
TYR
HE1
4.78
1
4291
66
TYR
HE1
4.827
1
25908
46
TYR
HE1
4.841
.
19169
93
TYR
HE1
4.967
3
16233
51
TYR
HE1
4.983
3
16164
61
TYR
HE1
5
1
16632
27
TYR
HE1
5.001
3
16632
27
TYR
HE1
5.002
3
346
51
TYR
HE1
5.07
1
16674
65
TYR
HE1
5.109
3
4067
11
TYR
HE1
5.173
3
11388
24
TYR
HE1
5.29
1
2198
80
TYR
HE1
5.29
1
4435
46
TYR
HE1
5.29
1
4115
54
TYR
HE1
5.32
1
10120
81
TYR
HE1
5.324
1
4761
13
TYR
HE1
5.33
1
17420
20
TYR
HE1
5.344
3
5625
43
TYR
HE1
5.36
1
17370
46
TYR
HE1
5.38
3
5275
132
TYR
HE1
5.407
1
4777
46
TYR
HE1
5.42
1
5029
41
TYR
HE1
5.43
1
7297
101
TYR
HE1
5.448
1
6634
43
TYR
HE1
5.46
1
19945
94
TYR
HE1
5.46
.
923
51
TYR
HE1
5.48
3
16251
59
TYR
HE1
5.496
1
5372
97
TYR
HE1
5.5
1
6117
45
TYR
HE1
5.51
2
4189
97
TYR
HE1
5.52
1
1580
94
TYR
HE1
5.55
1
4078
66
TYR
HE1
5.57
1
34229
69
TYR
HE1
5.583
1
34227
69
TYR
HE1
5.583
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
27313
52
TYR
HE1
5.627
3
30247
35
TYR
HE1
5.642
.
17111
85
TYR
HE1
5.642
1
4436
46
TYR
HE1
5.65
1
18782
12
TYR
HE1
5.657
3
25766
169
TYR
HE1
5.657
1
5269
65
TYR
HE1
5.66
3
10114
10
TYR
HE1
5.663
1
18853
132
TYR
HE1
5.671
3
5532
42
TYR
HE1
5.676
1
2396
138
TYR
HE1
5.68
1
30285
42
TYR
HE1
5.683
1
5947
98
TYR
HE1
5.69
1
16316
31
TYR
HE1
5.71
3
5748
28
TYR
HE1
5.71
1
17754
19
TYR
HE1
5.71
3
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
6295
215
TYR
HE1
5.722
3
11322
49
TYR
HE1
5.726
1
4327
120
TYR
HE1
5.73
1
274
97
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
26552
31
TYR
HE1
5.748
.
34022
6
TYR
HE1
5.748
.
4340
84
TYR
HE1
5.75
1
11472
34
TYR
HE1
5.753
3