PHE CD1 Chemical Shift Outliers

___________________________________________________
PHE CD1 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
9304
131.579
116.948
143.164
1.220


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
25587
41
PHE
CD1
135.295
3
18586
41
PHE
CD1
135.325
3
18586
69
PHE
CD1
135.38
3
25761
63
PHE
CD1
135.393
.
25744
35
PHE
CD1
135.409
1
15824
57
PHE
CD1
135.512
1
25744
43
PHE
CD1
135.645
1
17039
38
PHE
CD1
135.8
3
18776
57
PHE
CD1
135.875
1
6371
32
PHE
CD1
135.9
1
17892
61
PHE
CD1
136.171
.
16175
123
PHE
CD1
136.293
3
17944
8
PHE
CD1
136.4
.
16590
40
PHE
CD1
136.728
3
25402
70
PHE
CD1
137.237
3
15813
103
PHE
CD1
138.7
.
19881
39
PHE
CD1
143.164
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
16713
88
PHE
CD1
116.948
1
17278
49
PHE
CD1
118.039
1
18355
66
PHE
CD1
118.128
1
15813
109
PHE
CD1
118.5
.
4670
82
PHE
CD1
118.5
.
18961
23
PHE
CD1
118.724
3
19967
45
PHE
CD1
118.985
1
19952
64
PHE
CD1
120.815
3
5678
148
PHE
CD1
121.6
1
5678
147
PHE
CD1
121.7
1
4023
18
PHE
CD1
122.3
1
5165
83
PHE
CD1
123.288
1
16846
63
PHE
CD1
123.41
.
5678
107
PHE
CD1
123.8
1
7110
85
PHE
CD1
124.8
.
6536
19
PHE
CD1
124.975
1
19033
22
PHE
CD1
125.472
3
5887
99
PHE
CD1
125.5
4
17443
72
PHE
CD1
125.523
3
30023
79
PHE
CD1
125.56
1
18018
23
PHE
CD1
125.592
3
30375
85
PHE
CD1
125.681
.
16712
16
PHE
CD1
125.696
1
27453
29
PHE
CD1
125.853
1
6780
27
PHE
CD1
125.942
1
15927
51
PHE
CD1
126.305
1
34058
98
PHE
CD1
126.32
3
6780
92
PHE
CD1
126.405
1
18118
46
PHE
CD1
126.42
3
18118
31
PHE
CD1
126.49
3
25474
12
PHE
CD1
126.584
.
15485
52
PHE
CD1
126.587
.
19626
37
PHE
CD1
126.598
1
17425
16
PHE
CD1
126.63
1
11134
31
PHE
CD1
126.68
1
5887
103
PHE
CD1
126.8
4
15485
67
PHE
CD1
126.897
.
5887
14
PHE
CD1
126.9
4
16929
60
PHE
CD1
126.9
3
30023
23
PHE
CD1
126.921
1
30375
162
PHE
CD1
126.923
.
30207
22
PHE
CD1
127.024
.
6679
13
PHE
CD1
127.043
1
34041
98
PHE
CD1
127.06
3
36143
20
PHE
CD1
127.0624
.
25760
28
PHE
CD1
127.079
.
15927
15
PHE
CD1
127.163
1
6960
85
PHE
CD1
127.176
.
27317
103
PHE
CD1
127.194
1
6275
93
PHE
CD1
127.2
1
6275
64
PHE
CD1
127.2
1
5928
99
PHE
CD1
127.2
1
17806
75
PHE
CD1
127.247
3
18118
32
PHE
CD1
127.28
3
5933
9
PHE
CD1
127.3
3
18292
79
PHE
CD1
127.329
3
18118
12
PHE
CD1
127.33
3
17799
135
PHE
CD1
127.399
3
6073
80
PHE
CD1
127.4
.
6912
5
PHE
CD1
127.4
3
18292
9
PHE
CD1
127.424
3
6936
43
PHE
CD1
127.43
1
6960
101
PHE
CD1
127.444
.
27453
43
PHE
CD1
127.445
1
15485
55
PHE
CD1
127.446
.
17806
23
PHE
CD1
127.478
3
7019
107
PHE
CD1
127.481
1
17799
97
PHE
CD1
127.491
3
16179
23
PHE
CD1
127.5
3
16671
23
PHE
CD1
127.5
3
6361
20
PHE
CD1
127.5
3
5928
53
PHE
CD1
127.5
1
25294
109
PHE
CD1
127.504
.
15485
69
PHE
CD1
127.521
.
11086
89
PHE
CD1
127.542
1
16180
23
PHE
CD1
127.55
3
17806
26
PHE
CD1
127.552
3
11126
71
PHE
CD1
127.565
1
11124
51
PHE
CD1
127.579
1
18113
67
PHE
CD1
127.592
1
6125
71
PHE
CD1
127.6
3
6275
153
PHE
CD1
127.6
1
25026
141
PHE
CD1
127.618
3
25979
7
PHE
CD1
127.653
3
6780
8
PHE
CD1
127.672
1
6361
1
PHE
CD1
127.694
3
16181
23
PHE
CD1
127.7
3
15167
41
PHE
CD1
127.7
1
4127
17
PHE
CD1
127.7
3
34153
27
PHE
CD1
127.7
1
18364
70
PHE
CD1
127.742
3
6073
71
PHE
CD1
127.8
.
19530
52
PHE
CD1
127.866
.
16713
26
PHE
CD1
127.885
1
6275
123
PHE
CD1
127.9
1
18663
68
PHE
CD1
127.91
3
16712
25
PHE
CD1
127.914
1