TYR HB3 Chemical Shift Outliers

___________________________________________________
TYR HB3 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
15749
2.841
-.192
4.7
0.387


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
25001
95
TYR
HB3
4.008
.
11132
61
TYR
HB3
4.027
2
16679
165
TYR
HB3
4.062
2
18526
140
TYR
HB3
4.1
2
16062
31
TYR
HB3
4.133
2
34200
72
TYR
HB3
4.15
1
11126
106
TYR
HB3
4.165
2
16311
42
TYR
HB3
4.169
2
11308
88
TYR
HB3
4.26
2
1381
35
TYR
HB3
4.7
1


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
11032
56
TYR
HB3
-.03
2
11033
58
TYR
HB3
-.072
2
6794
87
TYR
HB3
-.192
2
11088
51
TYR
HB3
.011
2
6876
90
TYR
HB3
.042
2
19666
30
TYR
HB3
.279
2
19297
94
TYR
HB3
.335
2
10138
34
TYR
HB3
.467
2
19282
70
TYR
HB3
.467
.
18878
73
TYR
HB3
.542
2
16428
25
TYR
HB3
.549
2
17149
16
TYR
HB3
.56
2
10280
17
TYR
HB3
.594
2
34046
52
TYR
HB3
.595
2
6794
29
TYR
HB3
.597
2
19977
68
TYR
HB3
.615
2
19225
131
TYR
HB3
.642
2
25829
126
TYR
HB3
.65
2
11573
11
TYR
HB3
.658
1
19033
11
TYR
HB3
.665
2
25391
170
TYR
HB3
.667
2
6015
97
TYR
HB3
.7
2
25881
21
TYR
HB3
.714
1
19523
64
TYR
HB3
.72
.
18613
72
TYR
HB3
.741
2
4122
18
TYR
HB3
.75
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
27151
54
TYR
HB3
.828
2
5748
28
TYR
HB3
.83
1
25663
16
TYR
HB3
.834
.
6456
19
TYR
HB3
.85
2
18053
65
TYR
HB3
.874
2
10317
52
TYR
HB3
.888
2
16204
230
TYR
HB3
.892
2
5754
16
TYR
HB3
.904
1
15723
70
TYR
HB3
.906
2
25881
21
TYR
HB3
.911
1
25311
11
TYR
HB3
.914
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
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
7286
114
TYR
HB3
.987
2
25678
11
TYR
HB3
.999
2
34061
65
TYR
HB3
1
2
6292
41
TYR
HB3
1.02
2
11404
19
TYR
HB3
1.024
2
11155
26
TYR
HB3
1.025
2
25680
11
TYR
HB3
1.03
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
5223
15
TYR
HB3
1.079
.
15407
15
TYR
HB3
1.086
2
36170
17
TYR
HB3
1.092
.
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
11110
72
TYR
HB3
1.111
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
4920
21
TYR
HB3
1.193
1
15679
78
TYR
HB3
1.199
1
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
19148
5
TYR
HB3
1.285
.
10246
38
TYR
HB3
1.288
2
17783
36
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
11486
14
TYR
HB3
1.305
2
10316
41
TYR
HB3
1.307
2
11277
15
TYR
HB3
1.31
2
15377
24
TYR
HB3
1.316
.
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
18081
40
TYR
HB3
1.341
2
7256
68
TYR
HB3
1.35
2
17258
111
TYR
HB3
1.355
2
15369
21
TYR
HB3
1.359
2
7034
19
TYR
HB3
1.376
.
5360
16
TYR
HB3
1.38
.
6829
25
TYR
HB3
1.38
2
10316
42
TYR
HB3
1.389
2
7034
73
TYR
HB3
1.392
.
4340
80
TYR
HB3
1.4
1
4830
127
TYR
HB3
1.4
2
16161
94
TYR
HB3
1.409
2
25902
39
TYR
HB3
1.418
2
6401
82
TYR
HB3
1.424
2
16607
93
TYR
HB3
1.426
2
18541
67
TYR
HB3
1.429
1
11143
50
TYR
HB3
1.433
2
11468
60
TYR
HB3
1.434
2
17250
71
TYR
HB3
1.437
2
15356
113
TYR
HB3
1.437
2
4782
14
TYR
HB3
1.44
1
6454
122
TYR
HB3
1.44
2
5009
38
TYR
HB3
1.446
.
17031
136
TYR
HB3
1.45
2
16065
54
TYR
HB3
1.454
2
17747
67
TYR
HB3
1.456
2
7019
104
TYR
HB3
1.456
2
15059
66
TYR
HB3
1.457
2
2198
80
TYR
HB3
1.46
2
4722
137
TYR
HB3
1.46
2
6517
47
TYR
HB3
1.47
2
3466
61
TYR
HB3
1.47
2
34219
42
TYR
HB3
1.472
2
25016
96
TYR
HB3
1.48
.
18540
67
TYR
HB3
1.484
1
4782
20
TYR
HB3
1.49
2
6903
54
TYR
HB3
1.497
1
11092
53
TYR
HB3
1.5
2
6724
49
TYR
HB3
1.502
.
5316
28
TYR
HB3
1.503
2
18587
106
TYR
HB3
1.504
2
11040
56
TYR
HB3
1.505
2
16606
34
TYR
HB3
1.516
2
11125
74
TYR
HB3
1.517
2
11457
106
TYR
HB3
1.52
2
4453
25
TYR
HB3
1.53
2
19131
5
TYR
HB3
1.531
2
7271
46
TYR
HB3
1.532
2
7250
28
TYR
HB3
1.533
2
7275
28
TYR
HB3
1.533
2
7267
28
TYR
HB3
1.533
2
19660
24
TYR
HB3
1.533
.
19453
81
TYR
HB3
1.544
.
19518
152
TYR
HB3
1.544
1
11385
35
TYR
HB3
1.55
2
18526
50
TYR
HB3
1.553
2
18715
28
TYR
HB3
1.556
1
7063
37
TYR
HB3
1.556
2
18716
28
TYR
HB3
1.556
1
6578
155
TYR
HB3
1.56
2
16708
43
TYR
HB3
1.56
2
5490
100
TYR
HB3
1.57
2
4671
100
TYR
HB3
1.57
2
17160
94
TYR
HB3
1.57
2
16083
88
TYR
HB3
1.571
2
27151
55
TYR
HB3
1.58
2
4407
136
TYR
HB3
1.58
2
5524
85
TYR
HB3
1.58
2
17816
63
TYR
HB3
1.582
2
18183
13
TYR
HB3
1.588
2
18282
81
TYR
HB3
1.588
2
34029
82
TYR
HB3
1.588
.
15211
17
TYR
HB3
1.59
2
4673
119
TYR
HB3
1.59
2
11488
14
TYR
HB3
1.596
2
19553
35
TYR
HB3
1.597
2
17278
63
TYR
HB3
1.599
2
34218
42
TYR
HB3
1.599
2
4884
55
TYR
HB3
1.6
1
15341
45
TYR
HB3
1.602
2
11474
14
TYR
HB3
1.606
2
27453
113
TYR
HB3
1.607
2
11152
54
TYR
HB3
1.608
2
27687
100
TYR
HB3
1.609
2
15927
136
TYR
HB3
1.611
1
10280
40
TYR
HB3
1.614
2
25020
96
TYR
HB3
1.617
.
10195
53
TYR
HB3
1.648
2
5628
22
TYR
HB3
1.65
2
5100
60
TYR
HB3
1.65
2
27435
52
TYR
HB3
1.652
2
25391
101
TYR
HB3
1.654
2
17551
119
TYR
HB3
1.658
2
5128
106
TYR
HB3
1.66
2
25871
103
TYR
HB3
1.663
2
5628
119
TYR
HB3
1.67
2
17586
21
TYR
HB3
1.671
2
18215
133
TYR
HB3
1.673
2
11366
55
TYR
HB3
1.674
2
27593
20
TYR
HB3
1.677
1
25482
90
TYR
HB3
1.679
2