LEU CA Chemical Shift Outliers

___________________________________________________
LEU CA Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
81223
55.650
1.056
158.32
2.246


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
26944
29
LEU
CA
115.689
.
19152
71
LEU
CA
158.32
.
15680
189
LEU
CA
62.414
1
11453
52
LEU
CA
62.425
1
34239
15
LEU
CA
62.522
.
4700
5
LEU
CA
62.56
1
19607
59
LEU
CA
62.588
1
5861
46
LEU
CA
62.59
1
34239
31
LEU
CA
62.603
.
26756
195
LEU
CA
62.611
.
27631
110
LEU
CA
62.665
.
26725
83
LEU
CA
62.693
.
17131
117
LEU
CA
62.7
1
4972
10
LEU
CA
62.73
1
4997
15
LEU
CA
62.8
1
27631
272
LEU
CA
62.805
.
15663
109
LEU
CA
62.84
1
27438
75
LEU
CA
62.848
.
15008
119
LEU
CA
62.864
1
26757
195
LEU
CA
62.867
.
25628
67
LEU
CA
62.888
.
18108
42
LEU
CA
62.908
1
25173
43
LEU
CA
62.945
1
27631
126
LEU
CA
62.981
.
27496
202
LEU
CA
63
1
27438
113
LEU
CA
63.117
.
27161
9
LEU
CA
63.126
.
25760
135
LEU
CA
63.2
.
25380
7
LEU
CA
63.2
1
27496
202
LEU
CA
63.2
1
25930
12
LEU
CA
63.278
1
5538
67
LEU
CA
63.35
1
18904
65
LEU
CA
63.352
.
19641
45
LEU
CA
63.5
1
27300
143
LEU
CA
63.779
.
27631
230
LEU
CA
63.854
.
27631
270
LEU
CA
63.858
.
25920
23
LEU
CA
63.928
1
27631
215
LEU
CA
63.984
.
27631
206
LEU
CA
64.078
.
6697
49
LEU
CA
64.33
1
4232
14
LEU
CA
64.34
1
18000
17
LEU
CA
64.67
1
4136
73
LEU
CA
64.69
1
4232
49
LEU
CA
64.75
1
27631
201
LEU
CA
65.095
.
16729
326
LEU
CA
65.099
1
4136
20
LEU
CA
65.1
1
19145
64
LEU
CA
65.43
1
19145
124
LEU
CA
65.565
1
19144
124
LEU
CA
65.725
1
5511
119
LEU
CA
65.83
1
18494
60
LEU
CA
66.001
1
27631
266
LEU
CA
66.572
.
16729
198
LEU
CA
66.6
1
16729
305
LEU
CA
67.068
1
15304
48
LEU
CA
67.11
1
16850
15
LEU
CA
67.25
1
18760
166
LEU
CA
67.399
.
16729
261
LEU
CA
67.491
1
19342
20
LEU
CA
67.88
1
6249
200
LEU
CA
68.41
1
6249
102
LEU
CA
68.41
1
4232
58
LEU
CA
68.79
1
4232
42
LEU
CA
69.37
1
4232
79
LEU
CA
69.38
1
15877
11
LEU
CA
83.684
1
6026
50
LEU
CA
85.6
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
25679
36
LEU
CA
1.056
.
16145
57
LEU
CA
14.371
1
11037
65
LEU
CA
21.296
1
11035
65
LEU
CA
21.328
1
11495
138
LEU
CA
25.355
1
26552
82
LEU
CA
26.0763
.
34022
57
LEU
CA
26.0763
.
19716
23
LEU
CA
27.0941
1
18951
3
LEU
CA
29.405
1
36136
62
LEU
CA
30.221
.
18951
42
LEU
CA
30.69
1
18951
26
LEU
CA
31.005
1
18951
43
LEU
CA
31.635
1
18951
17
LEU
CA
31.852
1
18951
20
LEU
CA
32.109
1
18951
40
LEU
CA
32.754
1
15874
52
LEU
CA
33.941
1
15873
52
LEU
CA
33.941
1
15873
33
LEU
CA
33.953
1
15874
33
LEU
CA
33.953
1
15873
66
LEU
CA
34.331
1
15874
66
LEU
CA
34.331
1
15873
20
LEU
CA
34.887
1
15874
20
LEU
CA
34.887
1
15874
15
LEU
CA
35.761
1
15873
15
LEU
CA
35.761
1
15873
42
LEU
CA
35.946
1
15874
42
LEU
CA
35.946
1
15873
16
LEU
CA
36.365
1
15874
16
LEU
CA
36.365
1
15874
27
LEU
CA
36.955
1
15873
27
LEU
CA
36.955
1
16309
18
LEU
CA
37.916
1
15873
60
LEU
CA
39.078
1
15874
60
LEU
CA
39.078
1
15873
29
LEU
CA
39.317
1
15874
29
LEU
CA
39.317
1
15873
12
LEU
CA
39.62
1
15874
12
LEU
CA
39.62
1
25278
68
LEU
CA
40.8
1
25278
41
LEU
CA
42.2
1
19063
24
LEU
CA
42.686
.
25554
119
LEU
CA
42.866
1
19854
119
LEU
CA
42.866
1
19852
119
LEU
CA
42.866
1
16729
271
LEU
CA
43.813
1
19063
83
LEU
CA
44.345
.
4431
42
LEU
CA
44.6
1
17626
60
LEU
CA
44.8
1
16729
90
LEU
CA
45.864
1
27425
169
LEU
CA
46.083
1
16729
245
LEU
CA
46.194
1
5514
195
LEU
CA
46.36
1
16729
171
LEU
CA
46.451
1
18612
81
LEU
CA
47
1
19063
69
LEU
CA
47.179
.
16884
19
LEU
CA
47.2
1
4431
132
LEU
CA
47.4
1
4431
119
LEU
CA
47.4
1
15314
36
LEU
CA
47.586
1
4431
96
LEU
CA
47.6
1
27585
71
LEU
CA
47.858
1
5886
23
LEU
CA
47.92
1
27584
69
LEU
CA
47.921
1
17781
105
LEU
CA
47.934
1
16884
14
LEU
CA
48
1
4431
15
LEU
CA
48
1
25379
136
LEU
CA
48.029
1
27089
97
LEU
CA
48.089
1
25792
100
LEU
CA
48.094
.
16884
51
LEU
CA
48.1
1
7308
13
LEU
CA
48.1
1
17704
54
LEU
CA
48.102
1
18471
69
LEU
CA
48.103
1
36136
50
LEU
CA
48.149
.
11141
24
LEU
CA
48.156
1
27122
68
LEU
CA
48.161
.
27121
68
LEU
CA
48.161
.
5558
21
LEU
CA
48.166
1
26619
63
LEU
CA
48.235
.
25379
160
LEU
CA
48.247
1
6586
84
LEU
CA
48.317
1
6586
23
LEU
CA
48.388
1
15120
21
LEU
CA
48.4
.
26792
45
LEU
CA
48.4
1
27707
4
LEU
CA
48.445
1
6586
39
LEU
CA
48.459
1
5558
91
LEU
CA
48.499
1
25379
33
LEU
CA
48.54
1
27019
20
LEU
CA
48.551
.
16940
201
LEU
CA
48.57
1
10015
28
LEU
CA
48.584
1
17477
145
LEU
CA
48.621
1
25379
66
LEU
CA
48.638
1
6875
132
LEU
CA
48.64
1
36017
2
LEU
CA
48.7
1
5222
7
LEU
CA
48.7
1
26619
89
LEU
CA
48.733
.
15960
126
LEU
CA
48.74
.
30447
4
LEU
CA
48.744
.
30446
4
LEU
CA
48.744
.
17832
27
LEU
CA
48.752
1
10273
31
LEU
CA
48.76
1
4706
41
LEU
CA
48.81
1
11148
107
LEU
CA
48.823
1
11233
36
LEU
CA
48.824
1
7351
24
LEU
CA
48.835
1
6073
122
LEU
CA
48.86
.
15783
126
LEU
CA
48.875
.
17674
126
LEU
CA
48.875
.
19034
15
LEU
CA
48.881
1
18000
33
LEU
CA
48.89
1
16083
86
LEU
CA
48.892
1
17782
6
LEU
CA
48.894
1
4127
120
LEU
CA
48.9
1
26792
95
LEU
CA
48.9
1