TYR HB2 Chemical Shift Outliers

___________________________________________________
TYR HB2 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
22411
2.897
-21.23
23.28
0.469


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
HB2
23.28
1
25513
85
TYR
HB2
4.324
2
19608
85
TYR
HB2
4.324
2
16849
13
TYR
HB2
4.381
2
15375
13
TYR
HB2
4.381
2
25354
13
TYR
HB2
4.393
2
5713
44
TYR
HB2
4.53
1
5625
66
TYR
HB2
4.7
2
1381
35
TYR
HB2
4.7
1
6634
66
TYR
HB2
4.73
2
4435
69
TYR
HB2
4.8
2
16443
66
TYR
HB2
4.912
1
6634
65
TYR
HB2
4.95
2
5625
65
TYR
HB2
4.95
2
16443
65
TYR
HB2
5.263
1
25681
27
TYR
HB2
8.321
.


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
18388
58
TYR
HB2
-.024
2
10035
86
TYR
HB2
-.168
2
19687
43
TYR
HB2
-.486
2
18632
68
TYR
HB2
-.494
2
18632
68
TYR
HB2
-.494
2
16849
11
TYR
HB2
-21.23
2
15375
11
TYR
HB2
-21.23
2
18390
45
TYR
HB2
.089
2
11457
106
TYR
HB2
.099
2
18389
58
TYR
HB2
.146
2
15189
48
TYR
HB2
.177
2
18415
106
TYR
HB2
.298
2
4706
55
TYR
HB2
.304
1
4452
20
TYR
HB2
.313
2
10333
39
TYR
HB2
.374
2
10165
133
TYR
HB2
.462
2
16428
25
TYR
HB2
.479
2
15927
141
TYR
HB2
.492
2
17146
81
TYR
HB2
.5
2
10136
44
TYR
HB2
.557
2
27165
16
TYR
HB2
.56
2
6230
35
TYR
HB2
.57
2
17755
14
TYR
HB2
.57
2
11194
46
TYR
HB2
.574
2
25908
46
TYR
HB2
.581
.
346
51
TYR
HB2
.6
1
6230
35
TYR
HB2
.6
2
7381
124
TYR
HB2
.621
2
15402
124
TYR
HB2
.621
2
15401
124
TYR
HB2
.621
2
18411
94
TYR
HB2
.636
2
1719
51
TYR
HB2
.67
2
5998
7
TYR
HB2
.68
2
4045
112
TYR
HB2
.7
2
6581
34
TYR
HB2
.71
2
19523
64
TYR
HB2
.72
.
17257
36
TYR
HB2
.743
2
17903
51
TYR
HB2
.767
.
25953
43
TYR
HB2
.778
.
4623
21
TYR
HB2
.8
1
16428
56
TYR
HB2
.808
2
15007
20
TYR
HB2
.81
2
15322
29
TYR
HB2
.824
2
30061
51
TYR
HB2
.824
2
18047
111
TYR
HB2
.829
2
16795
30
TYR
HB2
.84
2
4900
22
TYR
HB2
.86
2
17382
120
TYR
HB2
.862
2
4241
21
TYR
HB2
.87
1
17960
86
TYR
HB2
.879
2
6261
19
TYR
HB2
.88
2
17904
51
TYR
HB2
.881
.
18388
46
TYR
HB2
.883
2
5524
15
TYR
HB2
.89
2
5756
3
TYR
HB2
.89
2
6724
49
TYR
HB2
.894
.
18277
112
TYR
HB2
.903
2
6231
9
TYR
HB2
.91
2
16840
94
TYR
HB2
.923
2
4947
31
TYR
HB2
.95
2
6829
25
TYR
HB2
.956
2
4973
15
TYR
HB2
.97
2
25953
62
TYR
HB2
.978
.
10120
81
TYR
HB2
.978
2
25907
46
TYR
HB2
.98
.
5406
46
TYR
HB2
.995
2
34061
65
TYR
HB2
1
2
1720
51
TYR
HB2
1
2
345
51
TYR
HB2
1
1
10253
28
TYR
HB2
1.003
2
18569
16
TYR
HB2
1.008
2
5047
41
TYR
HB2
1.01
1
18277
53
TYR
HB2
1.016
2
34307
106
TYR
HB2
1.025
2
4706
66
TYR
HB2
1.028
1
4291
43
TYR
HB2
1.029
1
5239
66
TYR
HB2
1.03
2
7104
70
TYR
HB2
1.03
2
4860
77
TYR
HB2
1.04
2
5498
16
TYR
HB2
1.04
2
10034
95
TYR
HB2
1.053
2
34046
52
TYR
HB2
1.064
2
17750
106
TYR
HB2
1.066
2
4946
31
TYR
HB2
1.07
2
17755
9
TYR
HB2
1.086
2
5012
34
TYR
HB2
1.09
1
5262
25
TYR
HB2
1.09
1
18389
46
TYR
HB2
1.112
2
5794
15
TYR
HB2
1.12
2
7256
68
TYR
HB2
1.12
2
18943
62
TYR
HB2
1.123
2
25175
25
TYR
HB2
1.132
2
11184
26
TYR
HB2
1.132
2
17946
143
TYR
HB2
1.14
2
1474
16
TYR
HB2
1.16
2
6517
47
TYR
HB2
1.16
2
15578
248
TYR
HB2
1.17
2
16576
20
TYR
HB2
1.17
2
27458
116
TYR
HB2
1.179
2
34028
10
TYR
HB2
1.183
.
4722
137
TYR
HB2
1.19
2
1745
7
TYR
HB2
1.2
1
4161
108
TYR
HB2
1.2
2
1500
7
TYR
HB2
1.2
2
5991
112
TYR
HB2
1.207
1
15270
39
TYR
HB2
1.212
2
17249
127
TYR
HB2
1.23
2
4681
117
TYR
HB2
1.24
.
5239
43
TYR
HB2
1.24
2
15912
8
TYR
HB2
1.26
2
6159
176
TYR
HB2
1.26
2
16809
6
TYR
HB2
1.26
2
18183
10
TYR
HB2
1.264
2
17806
13
TYR
HB2
1.269
2
6340
57
TYR
HB2
1.277
2
16442
57
TYR
HB2
1.28
2
27830
116
TYR
HB2
1.283
2
17799
35
TYR
HB2
1.294
2
19766
89
TYR
HB2
1.301
2
18182
10
TYR
HB2
1.305
2
36037
9
TYR
HB2
1.306
.
15912
8
TYR
HB2
1.31
2
4681
117
TYR
HB2
1.31
.
16809
6
TYR
HB2
1.31
2
4140
19
TYR
HB2
1.32
2
1911
7
TYR
HB2
1.32
1
4491
19
TYR
HB2
1.32
2
11487
41
TYR
HB2
1.321
2
18526
50
TYR
HB2
1.327
2
5524
85
TYR
HB2
1.33
2
2198
80
TYR
HB2
1.34
2
4682
117
TYR
HB2
1.34
.
25485
147
TYR
HB2
1.345
2
4682
117
TYR
HB2
1.35
.
5809
42
TYR
HB2
1.35
1
18281
101
TYR
HB2
1.35
2
19225
131
TYR
HB2
1.355
2
16204
230
TYR
HB2
1.361
2
18167
17
TYR
HB2
1.368
2
15723
70
TYR
HB2
1.37
2
11422
71
TYR
HB2
1.374
2
18463
32
TYR
HB2
1.378
2
17031
136
TYR
HB2
1.38
2
25127
127
TYR
HB2
1.388
2
7219
138
TYR
HB2
1.395
2
5809
42
TYR
HB2
1.4
1
7298
100
TYR
HB2
1.403
2
19904
117
TYR
HB2
1.408
2
7092
10
TYR
HB2
1.408
1
17586
21
TYR
HB2
1.412
2
18098
49
TYR
HB2
1.413
2
6400
82
TYR
HB2
1.417
2
15610
53
TYR
HB2
1.42
2
19297
94
TYR
HB2
1.428
2
11573
11
TYR
HB2
1.435
1
18853
226
TYR
HB2
1.438
2
4782
14
TYR
HB2
1.44
1
25443
89
TYR
HB2
1.445
2
11456
49
TYR
HB2
1.45
2
4510
26
TYR
HB2
1.45
1
19681
62
TYR
HB2
1.45
2
11089
53
TYR
HB2
1.459
2
19508
37
TYR
HB2
1.459
2
25934
12
TYR
HB2
1.463
2
25512
42
TYR
HB2
1.464
2
16082
37
TYR
HB2
1.465
2
25986
69
TYR
HB2
1.465
2
11233
17
TYR
HB2
1.472
2
18388
152
TYR
HB2
1.481
2