TYR HB3 Chemical Shift Outliers

___________________________________________________
TYR HB3 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
16429
2.831
-21.23
23.28
0.514


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
5713
10
TYR
HB3
23.28
1
16443
66
TYR
HB3
4.428
1
5713
44
TYR
HB3
4.53
1
4435
69
TYR
HB3
4.63
2
1381
35
TYR
HB3
4.7
1
5625
66
TYR
HB3
4.92
2
6634
66
TYR
HB3
4.93
2


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
10241
53
TYR
HB3
-.007
2
11496
41
TYR
HB3
-.027
2
11032
56
TYR
HB3
-.03
2
11033
58
TYR
HB3
-.072
2
6794
87
TYR
HB3
-.192
2
15375
11
TYR
HB3
-21.23
2
16849
11
TYR
HB3
-21.23
2
11088
51
TYR
HB3
.011
2
10041
48
TYR
HB3
.018
2
4308
72
TYR
HB3
.025
1
6876
90
TYR
HB3
.042
2
16795
30
TYR
HB3
.1
2
18165
45
TYR
HB3
.195
2
16909
45
TYR
HB3
.21
2
19297
94
TYR
HB3
.335
2
4681
117
TYR
HB3
.34
.
4681
117
TYR
HB3
.38
.
4682
117
TYR
HB3
.38
.
6395
73
TYR
HB3
.42
2
4682
117
TYR
HB3
.45
.
16068
14
TYR
HB3
.46
1
5275
24
TYR
HB3
.466
2
10138
34
TYR
HB3
.467
2
16809
6
TYR
HB3
.47
2
15912
8
TYR
HB3
.47
2
7083
102
TYR
HB3
.482
1
17670
63
TYR
HB3
.52
1
16809
6
TYR
HB3
.53
2
15912
8
TYR
HB3
.53
2
18878
73
TYR
HB3
.542
2
16428
25
TYR
HB3
.549
2
17149
16
TYR
HB3
.56
2
18404
24
TYR
HB3
.58
1
10280
17
TYR
HB3
.594
2
6794
29
TYR
HB3
.597
2
923
51
TYR
HB3
.6
2
17750
119
TYR
HB3
.646
2
5461
9
TYR
HB3
.649
2
5461
9
TYR
HB3
.649
2
19033
11
TYR
HB3
.665
.
15453
11
TYR
HB3
.696
1
6015
97
TYR
HB3
.7
2
11148
76
TYR
HB3
.734
2
18613
72
TYR
HB3
.741
2
18338
82
TYR
HB3
.748
.
4122
18
TYR
HB3
.75
1
11007
11
TYR
HB3
.76
1
18717
125
TYR
HB3
.781
2
18717
125
TYR
HB3
.781
2
11214
16
TYR
HB3
.784
2
16572
55
TYR
HB3
.788
2
5884
96
TYR
HB3
.81
1
11507
52
TYR
HB3
.811
1
10312
28
TYR
HB3
.812
2
10165
116
TYR
HB3
.813
2
5748
28
TYR
HB3
.83
1
11194
19
TYR
HB3
.833
2
6456
19
TYR
HB3
.85
2
16992
135
TYR
HB3
.857
1
4452
20
TYR
HB3
.863
2
18053
65
TYR
HB3
.874
2
6393
16
TYR
HB3
.88
1
18388
46
TYR
HB3
.883
2
10317
52
TYR
HB3
.888
2
6392
16
TYR
HB3
.89
1
16204
230
TYR
HB3
.892
2
17750
106
TYR
HB3
.901
2
5754
16
TYR
HB3
.904
1
15723
70
TYR
HB3
.906
2
15578
248
TYR
HB3
.908
2
15401
124
TYR
HB3
.921
2
16517
114
TYR
HB3
.93
2
10272
45
TYR
HB3
.933
2
11008
11
TYR
HB3
.938
1
4714
14
TYR
HB3
.94
2
15846
37
TYR
HB3
.95
2
10114
40
TYR
HB3
.953
2
6984
55
TYR
HB3
.96
2
15716
119
TYR
HB3
.96
2
15402
124
TYR
HB3
.961
2
11185
16
TYR
HB3
.963
2
17965
16
TYR
HB3
.965
2
16385
24
TYR
HB3
.966
2
11363
27
TYR
HB3
.973
2
11225
18
TYR
HB3
.979
2
7286
114
TYR
HB3
.987
2
922
51
TYR
HB3
1
2
6292
41
TYR
HB3
1.02
2
5239
43
TYR
HB3
1.02
2
11404
19
TYR
HB3
1.024
2
11155
26
TYR
HB3
1.025
2
4291
43
TYR
HB3
1.029
1
11220
17
TYR
HB3
1.034
2
11304
87
TYR
HB3
1.035
2
5224
54
TYR
HB3
1.04
1
11212
90
TYR
HB3
1.051
2
19012
40
TYR
HB3
1.074
.
5223
15
TYR
HB3
1.079
.
4713
11
TYR
HB3
1.08
2
11224
16
TYR
HB3
1.084
2
15407
15
TYR
HB3
1.086
2
6742
121
TYR
HB3
1.087
.
5181
86
TYR
HB3
1.095
2
10272
17
TYR
HB3
1.097
2
15243
4
TYR
HB3
1.1
2
6010
60
TYR
HB3
1.107
.
15894
19
TYR
HB3
1.109
2
15895
19
TYR
HB3
1.109
2
10315
39
TYR
HB3
1.109
2
6241
116
TYR
HB3
1.11
1
11110
72
TYR
HB3
1.111
2
18389
46
TYR
HB3
1.112
2
6121
43
TYR
HB3
1.13
2
15897
19
TYR
HB3
1.134
2
6454
71
TYR
HB3
1.14
2
18551
61
TYR
HB3
1.14
2
16463
97
TYR
HB3
1.143
2
10240
26
TYR
HB3
1.146
2
19001
139
TYR
HB3
1.147
9
15896
19
TYR
HB3
1.164
2
16607
34
TYR
HB3
1.169
2
10278
39
TYR
HB3
1.172
2
6824
62
TYR
HB3
1.183
2
16643
15
TYR
HB3
1.186
2
5867
17
TYR
HB3
1.191
1
4920
21
TYR
HB3
1.193
1
15679
78
TYR
HB3
1.199
1
5352
144
TYR
HB3
1.2
2
4229
32
TYR
HB3
1.202
2
4231
32
TYR
HB3
1.202
.
16163
65
TYR
HB3
1.204
1
6159
176
TYR
HB3
1.21
2
17249
127
TYR
HB3
1.21
2
7286
100
TYR
HB3
1.221
2
10086
21
TYR
HB3
1.231
2
15851
79
TYR
HB3
1.254
2
17806
13
TYR
HB3
1.269
2
16606
93
TYR
HB3
1.27
2
19148
5
TYR
HB3
1.285
.
11306
92
TYR
HB3
1.288
2
17783
36
TYR
HB3
1.288
2
10246
38
TYR
HB3
1.288
2