TRP HB3 Chemical Shift Outliers

___________________________________________________
TRP HB3 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
6477
3.114
.314
4.49
0.367


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
6365
81
TRP
HB3
4.24
1
2950
58
TRP
HB3
4.27
1
11298
48
TRP
HB3
4.318
2
4849
37
TRP
HB3
4.36
2
77
11
TRP
HB3
4.43
2
5991
61
TRP
HB3
4.44
1
77
13
TRP
HB3
4.48
2
77
9
TRP
HB3
4.49
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
11093
20
TRP
HB3
.314
2
6444
99
TRP
HB3
.545
.
6159
38
TRP
HB3
.77
2
4410
23
TRP
HB3
1.02
2
15042
7
TRP
HB3
1.101
.
6654
26
TRP
HB3
1.13
2
11108
46
TRP
HB3
1.147
2
5754
89
TRP
HB3
1.199
1
5205
24
TRP
HB3
1.214
.
6732
29
TRP
HB3
1.245
.
4775
67
TRP
HB3
1.27
1
18415
73
TRP
HB3
1.271
2
4878
56
TRP
HB3
1.3
2
15040
7
TRP
HB3
1.355
.
4878
70
TRP
HB3
1.36
2
5072
155
TRP
HB3
1.392
2
15051
7
TRP
HB3
1.401
.
19297
29
TRP
HB3
1.469
2
6231
23
TRP
HB3
1.47
2
19023
55
TRP
HB3
1.471
2
7273
28
TRP
HB3
1.488
.
17022
36
TRP
HB3
1.51
2
4384
95
TRP
HB3
1.511
2
15306
71
TRP
HB3
1.528
2
16767
24
TRP
HB3
1.597
2
2999
76
TRP
HB3
1.6
2
11088
40
TRP
HB3
1.605
2
10311
32
TRP
HB3
1.627
2
5204
57
TRP
HB3
1.63
2
5696
13
TRP
HB3
1.65
2
10131
48
TRP
HB3
1.658
2
5947
77
TRP
HB3
1.663
2
10122
19
TRP
HB3
1.667
2
16860
33
TRP
HB3
1.68
2
10115
27
TRP
HB3
1.683
2
4478
40
TRP
HB3
1.69
2
5181
69
TRP
HB3
1.693
2
16006
76
TRP
HB3
1.704
2
15369
91
TRP
HB3
1.706
2
10255
29
TRP
HB3
1.71
2
17755
115
TRP
HB3
1.725
2
5880
44
TRP
HB3
1.753
1
15578
99
TRP
HB3
1.777
2
16141
42
TRP
HB3
1.78
.
17553
86
TRP
HB3
1.792
2
5026
59
TRP
HB3
1.8
.
5357
76
TRP
HB3
1.81
2
6222
17
TRP
HB3
1.81
1
5867
43
TRP
HB3
1.813
1
3441
62
TRP
HB3
1.82
1
15061
49
TRP
HB3
1.826
2
4732
15
TRP
HB3
1.84
2
4943
62
TRP
HB3
1.84
1
4943
62
TRP
HB3
1.84
1
21008
4
TRP
HB3
1.849
2
11224
43
TRP
HB3
1.851
2
11217
43
TRP
HB3
1.852
2
7261
50
TRP
HB3
1.857
2
10317
42
TRP
HB3
1.859
2
4562
62
TRP
HB3
1.86
1
18122
119
TRP
HB3
1.86
2
17090
35
TRP
HB3
1.866
2
5982
11
TRP
HB3
1.87
.
16643
44
TRP
HB3
1.872
2
2858
62
TRP
HB3
1.89
1
10240
53
TRP
HB3
1.898
2
7160
62
TRP
HB3
1.9
.
5068
63
TRP
HB3
1.9
2
10068
135
TRP
HB3
1.901
2
6372
133
TRP
HB3
1.92
1
5873
39
TRP
HB3
1.93
2
15407
44
TRP
HB3
1.935
2
6469
15
TRP
HB3
1.937
2
18365
63
TRP
HB3
1.95
2
5564
60
TRP
HB3
1.95
2
11228
47
TRP
HB3
1.951
2
6855
54
TRP
HB3
1.957
2
7103
162
TRP
HB3
1.96
2
10314
28
TRP
HB3
1.963
2
6999
89
TRP
HB3
1.985
1
6794
31
TRP
HB3
1.987
2
15776
58
TRP
HB3
1.99
2
15935
57
TRP
HB3
1.991
2
18125
98
TRP
HB3
2
2
21013
6
TRP
HB3
2
2
5540
60
TRP
HB3
2
2
17452
58
TRP
HB3
2.0005
2
6226
46
TRP
HB3
2.01
2