LEU CD1 Chemical Shift Outliers

___________________________________________________
LEU CD1 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
51440
24.680
.683
120.7
2.073


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
11055
72
LEU
CD1
120.7
2
25859
127
LEU
CD1
31
1
7089
127
LEU
CD1
31
1
30133
35
LEU
CD1
31.51
9
5904
41
LEU
CD1
31.8
1
5894
82
LEU
CD1
31.83
1
30446
4
LEU
CD1
31.832
.
30447
4
LEU
CD1
31.832
.
6626
149
LEU
CD1
32.2
1
16832
125
LEU
CD1
36.85
2
15874
16
LEU
CD1
41.534
1
15873
16
LEU
CD1
41.534
1
15874
42
LEU
CD1
42.634
1
15873
42
LEU
CD1
42.634
1
15873
12
LEU
CD1
42.753
1
15874
12
LEU
CD1
42.753
1
15874
27
LEU
CD1
44.511
1
15873
27
LEU
CD1
44.511
1
15873
52
LEU
CD1
44.894
1
15874
52
LEU
CD1
44.894
1
15874
66
LEU
CD1
45.178
1
15873
66
LEU
CD1
45.178
1
15874
20
LEU
CD1
45.303
1
15873
20
LEU
CD1
45.303
1
15873
33
LEU
CD1
45.42
1
15874
33
LEU
CD1
45.42
1
6723
73
LEU
CD1
45.946
.
15873
15
LEU
CD1
46.382
1
15874
15
LEU
CD1
46.382
1
4438
99
LEU
CD1
47.4
1
26593
93
LEU
CD1
50.34
2
18951
26
LEU
CD1
50.595
1
25382
24
LEU
CD1
50.938
.
18951
3
LEU
CD1
50.995
1
18951
42
LEU
CD1
51.695
1
18951
17
LEU
CD1
51.895
1
18951
40
LEU
CD1
51.925
1
17128
22
LEU
CD1
52.661
2
25382
47
LEU
CD1
52.9
.
25382
84
LEU
CD1
53.108
.
34022
30
LEU
CD1
53.7927
.
26552
55
LEU
CD1
53.7927
.
25382
59
LEU
CD1
54.613
.
25382
73
LEU
CD1
54.848
.
15877
11
LEU
CD1
54.915
2
18340
14
LEU
CD1
55.0153
1
18340
8
LEU
CD1
55.1355
1
26552
126
LEU
CD1
55.2107
.
34022
101
LEU
CD1
55.2107
.
25382
33
LEU
CD1
55.308
.
34022
7
LEU
CD1
55.3467
.
26552
32
LEU
CD1
55.3467
.
26552
151
LEU
CD1
55.7087
.
34022
126
LEU
CD1
55.7087
.
34022
53
LEU
CD1
55.7967
.
26552
78
LEU
CD1
55.7967
.
34022
109
LEU
CD1
56.3497
.
26552
134
LEU
CD1
56.3497
.
34022
17
LEU
CD1
57.4867
.
26552
42
LEU
CD1
57.4867
.
26552
123
LEU
CD1
57.5347
.
34022
98
LEU
CD1
57.5347
.
26552
88
LEU
CD1
57.5997
.
34022
63
LEU
CD1
57.5997
.
5631
8
LEU
CD1
61.1
1
5631
85
LEU
CD1
62
1
5631
60
LEU
CD1
62.3
1
5631
59
LEU
CD1
62.5
1
5631
23
LEU
CD1
62.6
1
5631
86
LEU
CD1
62.6
1
17953
99
LEU
CD1
62.899
2
5631
95
LEU
CD1
63.3
1
4150
26
LEU
CD1
64.197
.
4150
20
LEU
CD1
64.257
.
4150
73
LEU
CD1
65.283
.
4150
39
LEU
CD1
65.596
.
4150
12
LEU
CD1
66.366
.
4150
24
LEU
CD1
66.46
.
4649
78
LEU
CD1
68.486
.
5179
38
LEU
CD1
70.18
.
5179
13
LEU
CD1
70.58
.
5179
46
LEU
CD1
72.18
.
5179
11
LEU
CD1
72.88
.
5179
36
LEU
CD1
73.88
.


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
18982
11
LEU
CD1
.683
1
4132
102
LEU
CD1
.73
2
16534
17
LEU
CD1
.763
1
18982
7
LEU
CD1
.912
1
30424
22
LEU
CD1
.946
.
25681
36
LEU
CD1
1.335
.
5970
118
LEU
CD1
10.945
1
4431
95
LEU
CD1
11.7
2
4953
87
LEU
CD1
11.851
1
30133
84
LEU
CD1
12.154
9
26012
199
LEU
CD1
12.174
.
5970
31
LEU
CD1
12.379
1
17907
94
LEU
CD1
12.68
1
4313
115
LEU
CD1
12.7
2
4380
78
LEU
CD1
13.77
2
17067
60
LEU
CD1
13.9
1
11080
39
LEU
CD1
14.288
2
18864
39
LEU
CD1
14.288
2
17173
128
LEU
CD1
14.338
1
27284
9
LEU
CD1
14.381
.
5899
52
LEU
CD1
14.469
.
4202
106
LEU
CD1
14.5
1
27055
67
LEU
CD1
14.555
.
4953
49
LEU
CD1
14.935
1
19954
128
LEU
CD1
14.946
.
30133
178
LEU
CD1
14.95
9
15826
210
LEU
CD1
15.097
2
5899
66
LEU
CD1
15.214
.
4431
106
LEU
CD1
15.3
1
19286
112
LEU
CD1
15.32
.
16597
2
LEU
CD1
15.6
2
4431
136
LEU
CD1
15.7
2
19792
76
LEU
CD1
15.794
.
15487
54
LEU
CD1
15.854
.
19834
115
LEU
CD1
16.034
.
15485
29
LEU
CD1
16.087
.
25132
121
LEU
CD1
16.192
1
16058
18
LEU
CD1
16.249
1
19857
37
LEU
CD1
16.304
1
4317
69
LEU
CD1
16.4
2
6348
32
LEU
CD1
16.5
.
19775
79
LEU
CD1
16.591
1
6330
153
LEU
CD1
16.7
1
6147
108
LEU
CD1
16.764
1
16207
42
LEU
CD1
16.804
1
18801
12
LEU
CD1
16.849
.
5992
49
LEU
CD1
16.9
1
1977
75
LEU
CD1
16.91
1
25973
50
LEU
CD1
16.916
.
6727
31
LEU
CD1
16.92
2
19778
79
LEU
CD1
16.93
.
7119
119
LEU
CD1
16.932
1
7287
69
LEU
CD1
16.958
1
1975
75
LEU
CD1
16.99
1
6336
153
LEU
CD1
17
1
34131
60
LEU
CD1
17.011
1
17456
22
LEU
CD1
17.027
1
25972
50
LEU
CD1
17.053
.
4929
48
LEU
CD1
17.14
2
7019
28
LEU
CD1
17.225
1
4431
15
LEU
CD1
17.3
2
4136
20
LEU
CD1
17.3
2
16002
28
LEU
CD1
17.31
2
25573
87
LEU
CD1
17.3535
2
17173
109
LEU
CD1
17.4
1
4661
61
LEU
CD1
17.5
1
15826
134
LEU
CD1
17.515
2
4214
100
LEU
CD1
17.515
.
27726
111
LEU
CD1
17.54
2
17109
19
LEU
CD1
17.575
2
18152
19
LEU
CD1
17.575
2
4431
40
LEU
CD1
17.6
2
25859
113
LEU
CD1
17.6
1
7089
113
LEU
CD1
17.6
1
30133
23
LEU
CD1
17.603
9
25833
37
LEU
CD1
17.63
1
17092
12
LEU
CD1
17.65
2
17900
30
LEU
CD1
17.655
1
18388
17
LEU
CD1
17.668
2
19954
109
LEU
CD1
17.693
.
27240
46
LEU
CD1
17.698
.
25379
91
LEU
CD1
17.7
1
6348
29
LEU
CD1
17.7
.
17067
48
LEU
CD1
17.7
1
27435
15
LEU
CD1
17.706
2
25810
136
LEU
CD1
17.7091
2
5312
15
LEU
CD1
17.8
2
6348
35
LEU
CD1
17.8
.
16115
127
LEU
CD1
17.875
2
4431
57
LEU
CD1
17.9
2
4775
64
LEU
CD1
17.91
1
7287
98
LEU
CD1
17.982
1
27879
406
LEU
CD1
17.997
1
18692
17
LEU
CD1
18
1
5755
20
LEU
CD1
18.03
1
6709
144
LEU
CD1
18.032
1
30326
130
LEU
CD1
18.051
1
15540
26
LEU
CD1
18.07
2
27078
129
LEU
CD1
18.1
1
30375
168
LEU
CD1
18.14
.
30375
8
LEU
CD1
18.158
.
34329
82
LEU
CD1
18.164
1
18958
33
LEU
CD1
18.193
1
4431
42
LEU
CD1
18.2
2
19232
53
LEU
CD1
18.28
1
4127
14
LEU
CD1
18.3
2
16708
5
LEU
CD1
18.3
1
6444
77
LEU
CD1
18.315
.
16809
102
LEU
CD1
18.33
1
16809
102
LEU
CD1
18.33
1
15912
104
LEU
CD1
18.33
1
15912
104
LEU
CD1
18.33
1
17479
208
LEU
CD1
18.333
1
5982
69
LEU
CD1
18.38
.
5312
51
LEU
CD1
18.4
2
19446
71
LEU
CD1
18.438
1
19851
70
LEU
CD1
18.445
2
6644
127
LEU
CD1
18.46
2
15007
23
LEU
CD1
5.1
2
25681
26
LEU
CD1
7.021
.