TYR HD2 Chemical Shift Outliers

___________________________________________________
TYR HD2 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
16506
6.914
.5522
10.499
0.380


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
4628
94
TYR
HD2
10.499
.
19600
12
TYR
HD2
8.064
.
16088
20
TYR
HD2
8.199
.
5248
23
TYR
HD2
8.199
.
16070
20
TYR
HD2
8.199
.
2352
64
TYR
HD2
8.25
3
6634
65
TYR
HD2
8.28
1
5625
65
TYR
HD2
8.3
1
1700
13
TYR
HD2
8.5
3
19869
17
TYR
HD2
8.538
3
27434
179
TYR
HD2
8.6
1
19834
15
TYR
HD2
8.607
.
5625
66
TYR
HD2
8.87
1
16443
65
TYR
HD2
8.883
3
6634
66
TYR
HD2
8.92
1
19834
6
TYR
HD2
9.154
.
4435
69
TYR
HD2
9.39
1
27434
7
TYR
HD2
9.4
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
19458
96
TYR
HD2
.5522
.
5372
67
TYR
HD2
.92
1
4189
67
TYR
HD2
.94
1
18167
17
TYR
HD2
2.576
1
1164
155
TYR
HD2
2.77
1
1348
155
TYR
HD2
2.78
1
1163
155
TYR
HD2
2.78
1
1346
155
TYR
HD2
2.78
1
1168
155
TYR
HD2
2.79
1
1347
155
TYR
HD2
2.79
1
1167
155
TYR
HD2
2.79
1
1165
155
TYR
HD2
2.8
1
1166
155
TYR
HD2
2.92
1
1163
29
TYR
HD2
3.01
1
1164
29
TYR
HD2
3.03
1
1168
29
TYR
HD2
3.03
1
1165
29
TYR
HD2
3.04
1
1166
29
TYR
HD2
3.08
1
1167
29
TYR
HD2
3.09
1
1163
68
TYR
HD2
3.09
1
1168
68
TYR
HD2
3.12
1
1164
68
TYR
HD2
3.13
1
1165
68
TYR
HD2
3.13
1
1166
68
TYR
HD2
3.14
1
1167
68
TYR
HD2
3.14
1
1346
29
TYR
HD2
3.14
1
1347
29
TYR
HD2
3.14
1
1348
29
TYR
HD2
3.15
1
1346
68
TYR
HD2
3.15
1
1348
68
TYR
HD2
3.15
1
1347
68
TYR
HD2
3.15
1
1163
46
TYR
HD2
3.16
1
1168
46
TYR
HD2
3.2
1
1164
46
TYR
HD2
3.2
1
1165
46
TYR
HD2
3.22
1
1347
85
TYR
HD2
3.23
1
1348
85
TYR
HD2
3.23
1
1346
85
TYR
HD2
3.23
1
1166
46
TYR
HD2
3.24
1
1165
85
TYR
HD2
3.24
1
1167
85
TYR
HD2
3.24
1
1163
85
TYR
HD2
3.24
1
1168
85
TYR
HD2
3.24
1
1166
85
TYR
HD2
3.24
1
1164
85
TYR
HD2
3.25
1
1347
46
TYR
HD2
3.25
1
1167
46
TYR
HD2
3.29
1
346
51
TYR
HD2
3.81
1
923
51
TYR
HD2
3.81
3
18565
24
TYR
HD2
4.027
.
5296
55
TYR
HD2
4.2
.
247
14
TYR
HD2
4.43
1
345
51
TYR
HD2
4.45
1
1720
51
TYR
HD2
4.45
1
922
51
TYR
HD2
4.45
3
17816
63
TYR
HD2
4.684
3
131
51
TYR
HD2
4.77
1
5406
46
TYR
HD2
4.832
3
25907
46
TYR
HD2
4.845
.
11329
52
TYR
HD2
4.974
1
11322
49
TYR
HD2
5.032
1
11244
52
TYR
HD2
5.063
1
36163
45
TYR
HD2
5.077
3
6976
40
TYR
HD2
5.124
1
16164
61
TYR
HD2
5.16
1
25766
169
TYR
HD2
5.183
1
30206
43
TYR
HD2
5.23
3
15778
78
TYR
HD2
5.268
3
10120
81
TYR
HD2
5.283
1
11126
107
TYR
HD2
5.285
1
11501
31
TYR
HD2
5.329
3
6760
50
TYR
HD2
5.34
1
15189
48
TYR
HD2
5.367
1
16674
43
TYR
HD2
5.387
3
27313
48
TYR
HD2
5.399
3
7004
3
TYR
HD2
5.4
1
11142
108
TYR
HD2
5.407
1
5524
65
TYR
HD2
5.42
1
4042
27
TYR
HD2
5.42
1
4436
46
TYR
HD2
5.42
1
5524
85
TYR
HD2
5.43
1
18569
16
TYR
HD2
5.447
3
15808
106
TYR
HD2
5.45
3
5299
148
TYR
HD2
5.45
1
15789
54
TYR
HD2
5.452
3
17239
47
TYR
HD2
5.467
3
10315
39
TYR
HD2
5.476
1
4043
44
TYR
HD2
5.48
1
10138
34
TYR
HD2
5.482
1
6222
45
TYR
HD2
5.49
1
4973
15
TYR
HD2
5.49
1
19624
128
TYR
HD2
5.502
1
19666
30
TYR
HD2
5.519
1
4879
129
TYR
HD2
5.52
1
19826
129
TYR
HD2
5.52
3
5884
96
TYR
HD2
5.52
1
26016
9
TYR
HD2
5.522
3
4291
43
TYR
HD2
5.533
1
10312
28
TYR
HD2
5.538
1
5625
43
TYR
HD2
5.54
1
6634
43
TYR
HD2
5.54
1
17393
49
TYR
HD2
5.5403
3
10253
28
TYR
HD2
5.542
1
10280
17
TYR
HD2
5.543
1
10272
45
TYR
HD2
5.543
1
1478
43
TYR
HD2
5.55
1
25908
46
TYR
HD2
5.556
.
5360
16
TYR
HD2
5.56
.
4797
110
TYR
HD2
5.56
1
6782
50
TYR
HD2
5.56
1
10041
48
TYR
HD2
5.564
1
18231
74
TYR
HD2
5.569
1
4377
28
TYR
HD2
5.57
1
4360
100
TYR
HD2
5.57
1
25443
89
TYR
HD2
5.578
3
18087
74
TYR
HD2
5.578
1
18277
53
TYR
HD2
5.58
3
5756
3
TYR
HD2
5.59
1
26963
111
TYR
HD2
5.591
1
11033
58
TYR
HD2
5.596
1
11143
25
TYR
HD2
5.599
1
4045
112
TYR
HD2
5.6
1
18165
45
TYR
HD2
5.605
3
16909
45
TYR
HD2
5.606
1
19523
64
TYR
HD2
5.616
.
5333
43
TYR
HD2
5.62
1
17611
20
TYR
HD2
5.62
3
18244
63
TYR
HD2
5.62
3
15603
112
TYR
HD2
5.625
3
10241
53
TYR
HD2
5.627
1
2476
78
TYR
HD2
5.63
1
18263
74
TYR
HD2
5.63
3
18032
74
TYR
HD2
5.63
3
30569
122
TYR
HD2
5.632
1
16805
74
TYR
HD2
5.638
2
15927
141
TYR
HD2
5.638
1
19688
20
TYR
HD2
5.641
1
11032
56
TYR
HD2
5.646
1
16610
6
TYR
HD2
5.648
1
4279
46
TYR
HD2
5.65
1
15211
17
TYR
HD2
5.65
3
19766
89
TYR
HD2
5.651
3
11496
41
TYR
HD2
5.653
1
34042
107
TYR
HD2
5.656
.
18982
11
TYR
HD2
5.66
1
5756
22
TYR
HD2
5.66
1
17148
111
TYR
HD2
5.669
3
18390
45
TYR
HD2
5.677
3
17250
216
TYR
HD2
5.679
3
6731
43
TYR
HD2
5.679
1
4793
97
TYR
HD2
5.68
1
4064
110
TYR
HD2
5.68
1
11388
24
TYR
HD2
5.683
1
25953
43
TYR
HD2
5.689
.
6578
80
TYR
HD2
5.69
1
19282
70
TYR
HD2
5.7
.
34061
46
TYR
HD2
5.701
1
11194
46
TYR
HD2
5.709
1
1333
27
TYR
HD2
5.71
1
25802
74
TYR
HD2
5.715
1
10136
44
TYR
HD2
5.715
1
11142
23
TYR
HD2
5.719
1
19012
61
TYR
HD2
5.72
3
923
102
TYR
HD2
5.72
3
18853
132
TYR
HD2
5.725
3
6769
52
TYR
HD2
5.726
1
17995
74
TYR
HD2
5.726
3
5929
53
TYR
HD2
5.73
1
30491
76
TYR
HD2
5.732
1
17685
106
TYR
HD2
5.735
3
11148
76
TYR
HD2
5.74
1
10131
36
TYR
HD2
5.74
1
6794
87
TYR
HD2
5.74
1
4079
15
TYR
HD2
5.74
1
25627
42
TYR
HD2
5.742
1
25439
69
TYR
HD2
5.745
1
17418
98
TYR
HD2
5.747
.
18900
72
TYR
HD2
5.753
3
5887
18
TYR
HD2
5.76
1
16572
55
TYR
HD2
5.76
3
18238
80
TYR
HD2
5.762
3
10149
25
TYR
HD2
5.762
1
11147
23
TYR
HD2
5.768
1
16517
117
TYR
HD2
5.77
3