PHE CD1 Chemical Shift Outliers

___________________________________________________
PHE CD1 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
12794
131.149
7.16
143.45
6.107


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
6763
7
PHE
CD1
110.7
.
19541
1
PHE
CD1
13.571
3
19458
80
PHE
CD1
13.6491
.
6072
65
PHE
CD1
19.15
1
26552
113
PHE
CD1
35.1949
.
34022
88
PHE
CD1
35.1949
.
34022
71
PHE
CD1
35.7299
.
26552
34
PHE
CD1
35.7299
.
26552
96
PHE
CD1
35.7299
.
34022
18
PHE
CD1
35.7299
.
34022
9
PHE
CD1
35.7299
.
26552
43
PHE
CD1
35.7299
.
34022
32
PHE
CD1
35.8499
.
26552
57
PHE
CD1
35.8499
.
26552
181
PHE
CD1
35.9499
.
26552
140
PHE
CD1
35.9499
.
34022
42
PHE
CD1
35.9499
.
34022
143
PHE
CD1
35.9499
.
26552
168
PHE
CD1
35.9499
.
26552
67
PHE
CD1
35.9499
.
34022
156
PHE
CD1
35.9499
.
34022
115
PHE
CD1
35.9499
.
26552
89
PHE
CD1
36.0499
.
34022
64
PHE
CD1
36.0499
.
26552
125
PHE
CD1
36.1499
.
34022
100
PHE
CD1
36.1499
.
26552
117
PHE
CD1
36.2299
.
34022
92
PHE
CD1
36.2299
.
34022
44
PHE
CD1
36.3499
.
26552
69
PHE
CD1
36.3499
.
4150
68
PHE
CD1
51.176
.
16914
59
PHE
CD1
51.41
.
4150
76
PHE
CD1
51.435
.
4150
81
PHE
CD1
53.18
.
18235
39
PHE
CD1
55.3
3
6308
29
PHE
CD1
55.439
.
18235
76
PHE
CD1
56.5
3
6730
28
PHE
CD1
56.584
.
6308
11
PHE
CD1
56.594
.
6308
82
PHE
CD1
56.594
.
6730
90
PHE
CD1
57.054
.
18235
43
PHE
CD1
57.1
3
6308
28
PHE
CD1
58.233
.
16339
48
PHE
CD1
62.005
3
16672
73
PHE
CD1
65.793
3
16672
104
PHE
CD1
67.026
3
16814
13
PHE
CD1
67.112
3
16672
50
PHE
CD1
67.232
3
16672
30
PHE
CD1
67.406
3
4368
60
PHE
CD1
69.7
3
18982
10
PHE
CD1
7.16
1
18982
2
PHE
CD1
7.342
1
17073
7
PHE
CD1
70.09
3
17073
43
PHE
CD1
70.123
3
17073
42
PHE
CD1
70.407
3
25382
41
PHE
CD1
75.027
.
25382
30
PHE
CD1
75.207
.
25382
54
PHE
CD1
75.563
.
25382
31
PHE
CD1
75.747
.
5179
32
PHE
CD1
82.62
.
5179
19
PHE
CD1
83.92
.
5179
35
PHE
CD1
84.22
.
6247
30
PHE
CD1
85.254
.
5179
69
PHE
CD1
86.82
.
4368
19
PHE
CD1
89.1
3
34042
120
PHE
CD1
91.393
.
34042
119
PHE
CD1
91.574
.
34042
46
PHE
CD1
91.655
.
34042
28
PHE
CD1
91.835
.