LEU CA Chemical Shift Outliers

___________________________________________________
LEU CA Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
63445
55.687
42.686
67.88
2.117


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
15554
40
LEU
CA
62.07
1
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
34239
15
LEU
CA
62.522
.
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
.
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
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
.
27496
202
LEU
CA
63.2
1
25380
7
LEU
CA
63.2
1
25760
135
LEU
CA
63.2
.
25930
12
LEU
CA
63.278
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
.
18000
17
LEU
CA
64.67
1
4136
73
LEU
CA
64.69
1
27631
201
LEU
CA
65.095
.
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
27631
266
LEU
CA
66.572
.
18760
166
LEU
CA
67.399
.
19342
20
LEU
CA
67.88
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
19063
24
LEU
CA
42.686
.
19063
83
LEU
CA
44.345
.
27425
169
LEU
CA
46.083
1
5514
195
LEU
CA
46.36
1
19063
69
LEU
CA
47.179
.
16884
19
LEU
CA
47.2
1
15314
36
LEU
CA
47.586
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
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
11141
24
LEU
CA
48.156
1
27122
68
LEU
CA
48.161
.
5558
21
LEU
CA
48.166
1
26619
63
LEU
CA
48.235
.
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
6586
39
LEU
CA
48.459
1
5558
91
LEU
CA
48.499
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
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
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
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
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
26792
15
LEU
CA
49
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
19560
258
LEU
CA
49.09
1
5886
281
LEU
CA
49.09
1
5514
207
LEU
CA
49.1
1
6745
143
LEU
CA
49.124
1
26756
145
LEU
CA
49.126
.
27527
47
LEU
CA
49.167
.
18373
169
LEU
CA
49.17
1
26792
92
LEU
CA
49.2
1
19776
61
LEU
CA
49.2
.
26851
75
LEU
CA
49.2
1
26848
75
LEU
CA
49.202
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
15200
71
LEU
CA
49.3
1
27859
141
LEU
CA
49.3
.
6073
91
LEU
CA
49.3
.
26848
77
LEU
CA
49.304
1
17704
46
LEU
CA
49.32
1
26948
44
LEU
CA
49.32
1