TYR HB3 Chemical Shift Outliers

___________________________________________________
TYR HB3 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
21904
2.832
-21.23
23.28
0.487


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
4633
12
TYR
HB3
4.3
.
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
25681
27
TYR
HB3
5.829
.


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
16849
11
TYR
HB3
-21.23
2
15375
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
26963
111
TYR
HB3
.107
2
18165
45
TYR
HB3
.195
2
16909
45
TYR
HB3
.21
2
19666
30
TYR
HB3
.279
2
19297
94
TYR
HB3
.335
2
4681
117
TYR
HB3
.34
.
4682
117
TYR
HB3
.38
.
4681
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
19282
70
TYR
HB3
.467
.
15912
8
TYR
HB3
.47
2
16809
6
TYR
HB3
.47
2
7083
102
TYR
HB3
.482
1
17670
63
TYR
HB3
.52
1
15912
8
TYR
HB3
.53
2
16809
6
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
34046
52
TYR
HB3
.595
2
6794
29
TYR
HB3
.597
2
923
51
TYR
HB3
.6
2
19977
68
TYR
HB3
.615
2
19904
117
TYR
HB3
.635
2
19225
131
TYR
HB3
.642
2
17750
119
TYR
HB3
.646
2
5461
9
TYR
HB3
.649
2
5461
9
TYR
HB3
.649
2
25829
126
TYR
HB3
.65
2
34227
19
TYR
HB3
.651
2
34229
19
TYR
HB3
.651
2
11573
11
TYR
HB3
.658
1
19033
11
TYR
HB3
.665
2
25391
170
TYR
HB3
.667
2
19638
51
TYR
HB3
.692
.
15453
11
TYR
HB3
.696
1
6015
97
TYR
HB3
.7
2
25881
21
TYR
HB3
.714
1
19523
64
TYR
HB3
.72
.
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
11214
16
TYR
HB3
.784
2
16572
55
TYR
HB3
.788
2
34061
46
TYR
HB3
.801
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
27151
54
TYR
HB3
.828
2
5748
28
TYR
HB3
.83
1
11194
19
TYR
HB3
.833
2
25663
16
TYR
HB3
.834
.
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
25881
21
TYR
HB3
.911
1
25311
11
TYR
HB3
.914
2
7381
124
TYR
HB3
.921
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
25683
11
TYR
HB3
.958
2
25682
11
TYR
HB3
.958
2
15716
119
TYR
HB3
.96
2
6984
55
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
30303
90
TYR
HB3
.974
.
11225
18
TYR
HB3
.979
2
25953
62
TYR
HB3
.98
.
7286
114
TYR
HB3
.987
2
25681
11
TYR
HB3
.991
.
25679
11
TYR
HB3
.991
.
34026
75
TYR
HB3
.991
1
25678
11
TYR
HB3
.999
2
34061
65
TYR
HB3
1
2
922
51
TYR
HB3
1
2
5239
43
TYR
HB3
1.02
2
6292
41
TYR
HB3
1.02
2
18982
11
TYR
HB3
1.02
1
11404
19
TYR
HB3
1.024
2
11155
26
TYR
HB3
1.025
2
4291
43
TYR
HB3
1.029
1
25680
11
TYR
HB3
1.03
2
11220
17
TYR
HB3
1.034
2
11304
87
TYR
HB3
1.035
2
5224
54
TYR
HB3
1.04
1
26509
113
TYR
HB3
1.047
1
11212
90
TYR
HB3
1.051
2
34170
23
TYR
HB3
1.069
2
36171
17
TYR
HB3
1.073
.
19012
40
TYR
HB3
1.074
2
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
.
36170
17
TYR
HB3
1.092
.
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
10315
39
TYR
HB3
1.109
2
15895
19
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
19129
5
TYR
HB3
1.128
2
6121
43
TYR
HB3
1.13
2
15897
19
TYR
HB3
1.134
2
19627
79
TYR
HB3
1.137
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
27146
37
TYR
HB3
1.163
2
15896
19
TYR
HB3
1.164
2
16607
34
TYR
HB3
1.169
2
10278
39
TYR
HB3
1.172
2
19164
152
TYR
HB3
1.177
1
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
4231
32
TYR
HB3
1.202
.
4229
32
TYR
HB3
1.202
2
16163
65
TYR
HB3
1.204
1
17249
127
TYR
HB3
1.21
2
6159
176
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
19843
119
TYR
HB3
1.257
.
17806
13
TYR
HB3
1.269
2
16606
93
TYR
HB3
1.27
2
25443
89
TYR
HB3
1.28
2
19148
5
TYR
HB3
1.285
.
10246
38
TYR
HB3
1.288
2
17783
36
TYR
HB3
1.288
2
11306
92
TYR
HB3
1.288
2
11312
42
TYR
HB3
1.289
2
17799
35
TYR
HB3
1.294
2
19147
44
TYR
HB3
1.294
2
6338
43
TYR
HB3
1.296
2
10251
50
TYR
HB3
1.298
2
10084
61
TYR
HB3
1.303
2
11486
14
TYR
HB3
1.305
2
10316
41
TYR
HB3
1.307
2
16805
74
TYR
HB3
1.309
2
11277
15
TYR
HB3
1.31
2
6965
50
TYR
HB3
1.31
2
15377
24
TYR
HB3
1.316
.
18263
74
TYR
HB3
1.32
2
11488
69
TYR
HB3
1.322
2
17447
94
TYR
HB3
1.322
2
11481
14
TYR
HB3
1.326
2
5819
50
TYR
HB3
1.33
2
11078
110
TYR
HB3
1.332
2
34326
46
TYR
HB3
1.337
.
19681
62
TYR
HB3
1.34
2
4039
90
TYR
HB3
1.34
1
11001
109
TYR
HB3
1.34
2
18081
40
TYR
HB3
1.341
2
27313
49
TYR
HB3
1.344
2
10165
133
TYR
HB3
1.348
2
18553
132
TYR
HB3
1.348
2
7256
68
TYR
HB3
1.35
2
18032
74
TYR
HB3
1.35
2
17258
111
TYR
HB3
1.355
2
15369
21
TYR
HB3
1.359
2
4973
15
TYR
HB3
1.36
2
18462
55
TYR
HB3
1.363
2
4553
54
TYR
HB3
1.37
2