TRP HB3 Chemical Shift Outliers

___________________________________________________
TRP HB3 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
8685
3.117
-.3776
7.972
0.373


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
26725
5
TRP
HB3
4.747
.
25681
30
TRP
HB3
7.972
.


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
19458
128
TRP
HB3
-.3776
.
11531
62
TRP
HB3
.257
.
11093
20
TRP
HB3
.314
2
6444
99
TRP
HB3
.545
.
6159
38
TRP
HB3
.77
2
19463
54
TRP
HB3
.8
1
19461
54
TRP
HB3
.873
1
19775
114
TRP
HB3
.908
1
25568
26
TRP
HB3
1.019
2
4410
23
TRP
HB3
1.02
2
19807
110
TRP
HB3
1.03
1
19235
31
TRP
HB3
1.04
2
15042
7
TRP
HB3
1.101
.
25437
114
TRP
HB3
1.119
.
6654
26
TRP
HB3
1.13
2
11108
46
TRP
HB3
1.147
2
5754
89
TRP
HB3
1.199
1
27606
11
TRP
HB3
1.206
2
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
19282
27
TRP
HB3
1.292
.
4878
56
TRP
HB3
1.3
2
27677
172
TRP
HB3
1.323
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
.
19508
16
TRP
HB3
1.448
2
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
11531
22
TRP
HB3
1.638
.
5696
13
TRP
HB3
1.65
2
10131
48
TRP
HB3
1.658
2
30034
99
TRP
HB3
1.66
2
5947
90
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
36048
33
TRP
HB3
1.714
.
17755
115
TRP
HB3
1.725
2
19504
6
TRP
HB3
1.74
1
19117
39
TRP
HB3
1.742
2
5880
44
TRP
HB3
1.753
1
25350
71
TRP
HB3
1.758
1
11549
8
TRP
HB3
1.765
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
.
6222
17
TRP
HB3
1.81
1
5357
76
TRP
HB3
1.81
2
5867
43
TRP
HB3
1.813
1
3441
62
TRP
HB3
1.82
1
15061
49
TRP
HB3
1.826
2
19988
88
TRP
HB3
1.835
.
34336
21
TRP
HB3
1.838
.
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
18998
19
TRP
HB3
1.875
.
18999
19
TRP
HB3
1.875
.
19807
119
TRP
HB3
1.877
2
2858
62
TRP
HB3
1.89
1
10240
53
TRP
HB3
1.898
2
5068
63
TRP
HB3
1.9
2
7160
62
TRP
HB3
1.9
.
10068
135
TRP
HB3
1.901
2
19152
144
TRP
HB3
1.91
.
6372
133
TRP
HB3
1.92
1
5873
39
TRP
HB3
1.93
2
15407
44
TRP
HB3
1.935
2
26844
54
TRP
HB3
1.935
2
6469
15
TRP
HB3
1.937
2
18154
144
TRP
HB3
1.94
2
19151
144
TRP
HB3
1.94
.
25659
24
TRP
HB3
1.949
2
18365
63
TRP
HB3
1.95
2
19117
133
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
25667
24
TRP
HB3
1.962
2
10314
28
TRP
HB3
1.963
2
19421
30
TRP
HB3
1.967
2
25573
9
TRP
HB3
1.9682
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
25153
56
TRP
HB3
1.996
.