LEU CA Chemical Shift Outliers

___________________________________________________
LEU CA Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
40582
55.695
46.36
67.399
2.126


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
7312
46
LEU
CA
62.192
1
15250
224
LEU
CA
62.279
1
5100
40
LEU
CA
62.3
9
15680
189
LEU
CA
62.414
1
5861
46
LEU
CA
62.59
1
4972
10
LEU
CA
62.73
1
4997
15
LEU
CA
62.8
1
15663
109
LEU
CA
62.84
1
15008
119
LEU
CA
62.864
1
18108
42
LEU
CA
62.908
1
18000
17
LEU
CA
64.67
1
4136
73
LEU
CA
64.69
1
4136
20
LEU
CA
65.1
1
19144
124
LEU
CA
65.725
1
5511
119
LEU
CA
65.83
1
18494
60
LEU
CA
66.001
1
18760
166
LEU
CA
67.399
.


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
5514
195
LEU
CA
46.36
1
16884
19
LEU
CA
47.2
1
15314
36
LEU
CA
47.586
1
5886
23
LEU
CA
47.92
1
17781
105
LEU
CA
47.934
1
16884
14
LEU
CA
48
1
7308
13
LEU
CA
48.1
1
16884
51
LEU
CA
48.1
1
18471
69
LEU
CA
48.103
1
11141
24
LEU
CA
48.156
1
6586
84
LEU
CA
48.317
1
6586
23
LEU
CA
48.388
1
15120
21
LEU
CA
48.4
.
6586
39
LEU
CA
48.459
1
16940
201
LEU
CA
48.57
1
10015
28
LEU
CA
48.584
1
17477
145
LEU
CA
48.621
1
6875
132
LEU
CA
48.64
1
5222
7
LEU
CA
48.7
1
17832
27
LEU
CA
48.752
1
10273
31
LEU
CA
48.76
1
11233
36
LEU
CA
48.824
1
6073
122
LEU
CA
48.86
.
15783
126
LEU
CA
48.875
.
19034
15
LEU
CA
48.881
.
18000
33
LEU
CA
48.89
1
16083
86
LEU
CA
48.892
1
17782
6
LEU
CA
48.894
1
16940
156
LEU
CA
48.92
1
17781
8
LEU
CA
48.985
1
17477
160
LEU
CA
48.998
1
16164
65
LEU
CA
48.999
1
5514
119
LEU
CA
49.01
1
5334
109
LEU
CA
49.031
1
5513
13
LEU
CA
49.089
1
5513
54
LEU
CA
49.089
1
5886
281
LEU
CA
49.09
1
5514
207
LEU
CA
49.1
1
6745
143
LEU
CA
49.124
1
18373
169
LEU
CA
49.17
1
15010
119
LEU
CA
49.209
1
17782
44
LEU
CA
49.257
1
5594
15
LEU
CA
49.26
1
17832
12
LEU
CA
49.264
1
15070
37
LEU
CA
49.28
1
7019
90
LEU
CA
49.281
1
16984
8
LEU
CA
49.282
1
6073
91
LEU
CA
49.3
.
15200
71
LEU
CA
49.3
1