TYR HB2 Chemical Shift Outliers

___________________________________________________
TYR HB2 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
16123
2.905
-.494
4.7
0.366


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
16748
107
TYR
HB2
4.008
2
6644
96
TYR
HB2
4.02
2
5232
181
TYR
HB2
4.02
2
7022
94
TYR
HB2
4.034
2
11299
15
TYR
HB2
4.039
2
5025
18
TYR
HB2
4.04
2
5364
46
TYR
HB2
4.05
2
17467
45
TYR
HB2
4.0527
2
16679
165
TYR
HB2
4.062
2
27158
122
TYR
HB2
4.07
2
10144
49
TYR
HB2
4.072
2
16463
31
TYR
HB2
4.073
2
10145
59
TYR
HB2
4.083
2
19206
28
TYR
HB2
4.105
2
26025
81
TYR
HB2
4.107
2
15020
125
TYR
HB2
4.114
2
25770
128
TYR
HB2
4.133
2
5312
31
TYR
HB2
4.15
2
15964
124
TYR
HB2
4.195
2
25354
13
TYR
HB2
4.393
2
1381
35
TYR
HB2
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
19687
43
TYR
HB2
-.486
2
18632
68
TYR
HB2
-.494
2
18632
68
TYR
HB2
-.494
2
18390
45
TYR
HB2
.089
2
11457
106
TYR
HB2
.099
2
18415
106
TYR
HB2
.298
2
10333
39
TYR
HB2
.374
2
16428
25
TYR
HB2
.479
2
15927
141
TYR
HB2
.492
2
10136
44
TYR
HB2
.557
2
27165
16
TYR
HB2
.56
2
18411
94
TYR
HB2
.636
2
5998
7
TYR
HB2
.68
2
4045
112
TYR
HB2
.7
2
19523
64
TYR
HB2
.72
.
17257
36
TYR
HB2
.743
2
4623
21
TYR
HB2
.8
1
16428
56
TYR
HB2
.808
2
15322
29
TYR
HB2
.824
2
30061
51
TYR
HB2
.824
2
18047
111
TYR
HB2
.829
2
4900
22
TYR
HB2
.86
2
4241
21
TYR
HB2
.87
1
17960
86
TYR
HB2
.879
2
6261
19
TYR
HB2
.88
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
6829
25
TYR
HB2
.956
2
34061
65
TYR
HB2
1
2
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
4860
77
TYR
HB2
1.04
2
5498
16
TYR
HB2
1.04
2
34046
52
TYR
HB2
1.064
2
4946
31
TYR
HB2
1.07
2
5012
34
TYR
HB2
1.09
1
5262
25
TYR
HB2
1.09
1
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
1474
16
TYR
HB2
1.16
2
6517
47
TYR
HB2
1.16
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
17249
127
TYR
HB2
1.23
2
6159
176
TYR
HB2
1.26
2
18183
10
TYR
HB2
1.264
2
17806
13
TYR
HB2
1.269
2
16442
57
TYR
HB2
1.28
2
17799
35
TYR
HB2
1.294
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
18281
101
TYR
HB2
1.35
2
19225
131
TYR
HB2
1.355
2
16204
230
TYR
HB2
1.361
2
15723
70
TYR
HB2
1.37
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
7298
100
TYR
HB2
1.403
2
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
11456
49
TYR
HB2
1.45
2
4510
26
TYR
HB2
1.45
1
19681
62
TYR
HB2
1.45
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
11233
17
TYR
HB2
1.472
2
16841
127
TYR
HB2
1.49
1
16066
54
TYR
HB2
1.496
2
6760
86
TYR
HB2
1.5
2
5524
65
TYR
HB2
1.51
2
16557
17
TYR
HB2
1.52
2
18839
85
TYR
HB2
1.52
1
4327
120
TYR
HB2
1.52
2
18317
82
TYR
HB2
1.52
1
11507
52
TYR
HB2
1.52
1
5814
33
TYR
HB2
1.54
2
10280
40
TYR
HB2
1.553
2
1336
7
TYR
HB2
1.56
1
17298
23
TYR
HB2
1.57
2
7175
60
TYR
HB2
1.57
2
18183
13
TYR
HB2
1.588
2
19518
152
TYR
HB2
1.597
1
15128
118
TYR
HB2
1.598
2
19482
65
TYR
HB2
1.599
2
17250
216
TYR
HB2
1.606
2
6731
43
TYR
HB2
1.606
2
10278
39
TYR
HB2
1.612
2
10114
40
TYR
HB2
1.616
2
19625
97
TYR
HB2
1.63
2
16161
94
TYR
HB2
1.631
2
25870
103
TYR
HB2
1.639
2
18684
9
TYR
HB2
1.644
2
481
26
TYR
HB2
1.65
1
480
26
TYR
HB2
1.65
1
16428
57
TYR
HB2
1.653
2
4403
34
TYR
HB2
1.66
2
15816
61
TYR
HB2
1.66
2
6199
152
TYR
HB2
1.66
2
4147
22
TYR
HB2
1.661
2
19129
5
TYR
HB2
1.665
2
17864
60
TYR
HB2
1.67
2
25350
84
TYR
HB2
1.675
1
15120
12
TYR
HB2
1.68
.
6729
39
TYR
HB2
1.68
1
16164
26
TYR
HB2
1.682
2
5719
86
TYR
HB2
1.685
1
19624
128
TYR
HB2
1.688
2
6716
51
TYR
HB2
1.699487
.
4127
34
TYR
HB2
1.7
1
15243
4
TYR
HB2
1.7
2
10317
52
TYR
HB2
1.702
2
16630
135
TYR
HB2
1.703
2
27435
52
TYR
HB2
1.704
2
25016
96
TYR
HB2
1.706
.
18193
18
TYR
HB2
1.71
2
36080
22
TYR
HB2
1.722
.
18504
17
TYR
HB2
1.728
1
19219
81
TYR
HB2
1.731
2
10251
50
TYR
HB2
1.738
2
5694
2
TYR
HB2
1.74
1
16362
135
TYR
HB2
1.741
2
18092
96
TYR
HB2
1.743
1
25482
90
TYR
HB2
1.743
2
6161
52
TYR
HB2
1.75
2
18604
51
TYR
HB2
1.75
2
18197
69
TYR
HB2
1.75
2
5128
115
TYR
HB2
1.75
2
18806
8
TYR
HB2
1.752
2
7110
77
TYR
HB2
1.76
.
6338
43
TYR
HB2
1.766
2
16614
105
TYR
HB2
1.77
2
5833
103
TYR
HB2
1.77
2
6197
10
TYR
HB2
1.771
1
36080
15
TYR
HB2
1.772
.
25299
91
TYR
HB2
1.774
1
18250
155
TYR
HB2
1.774
2
17467
62
TYR
HB2
1.7776
2
36027
106
TYR
HB2
1.78
2
4327
62
TYR
HB2
1.78
2
11142
55
TYR
HB2
1.78
2
15952
12
TYR
HB2
1.783
.
15785
12
TYR
HB2
1.783
.
18977
121
TYR
HB2
1.785
2
25239
39
TYR
HB2
1.785
2
18621
39
TYR
HB2
1.785
2
11125
74
TYR
HB2
1.787
2
16238
64
TYR
HB2
1.79
2
25432
189
TYR
HB2
1.791
1
15128
127
TYR
HB2
1.792
2
16231
2
TYR
HB2
1.796
2
10316
42
TYR
HB2
1.797
2
18613
72
TYR
HB2
1.8
2
6824
62
TYR
HB2
1.802
2
6003
88
TYR
HB2
1.805
2