LEU CD1 Chemical Shift Outliers

___________________________________________________
LEU CD1 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
36506
24.725
.73
120.7
2.029


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
7089
127
LEU
CD1
31
1
5904
41
LEU
CD1
31.8
1
5894
82
LEU
CD1
31.83
1
6626
149
LEU
CD1
32.2
1
16832
125
LEU
CD1
36.85
2
15873
16
LEU
CD1
41.534
1
15874
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
15874
52
LEU
CD1
44.894
1
15873
52
LEU
CD1
44.894
1
15874
66
LEU
CD1
45.178
1
15873
66
LEU
CD1
45.178
1
15873
20
LEU
CD1
45.303
1
15874
20
LEU
CD1
45.303
1
15874
33
LEU
CD1
45.42
1
15873
33
LEU
CD1
45.42
1
6723
73
LEU
CD1
45.946
.
15874
15
LEU
CD1
46.382
1
15873
15
LEU
CD1
46.382
1
4438
99
LEU
CD1
47.4
1
15877
11
LEU
CD1
54.915
2
18340
14
LEU
CD1
55.0153
1
18340
8
LEU
CD1
55.1355
1
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
86
LEU
CD1
62.6
1
5631
23
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
4132
102
LEU
CD1
.73
2
16534
17
LEU
CD1
.763
1
5970
118
LEU
CD1
10.945
1
4431
95
LEU
CD1
11.7
2
4953
87
LEU
CD1
11.851
1
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
17173
128
LEU
CD1
14.338
1
5899
52
LEU
CD1
14.469
.
4202
106
LEU
CD1
14.5
1
4953
49
LEU
CD1
14.935
1
15826
210
LEU
CD1
15.097
2
5899
66
LEU
CD1
15.214
.
4431
106
LEU
CD1
15.3
1
16597
2
LEU
CD1
15.6
2
4431
136
LEU
CD1
15.7
2
15487
54
LEU
CD1
15.854
.
15485
29
LEU
CD1
16.087
.
16058
18
LEU
CD1
16.249
1
4317
69
LEU
CD1
16.4
2
6348
32
LEU
CD1
16.5
.
6330
153
LEU
CD1
16.7
1
6147
108
LEU
CD1
16.764
1
16207
42
LEU
CD1
16.804
1
5992
49
LEU
CD1
16.9
1
1977
75
LEU
CD1
16.91
1
6727
31
LEU
CD1
16.92
2
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
17456
22
LEU
CD1
17.027
1
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
17173
109
LEU
CD1
17.4
1
4661
61
LEU
CD1
17.5
1
4214
100
LEU
CD1
17.515
.
15826
134
LEU
CD1
17.515
2
18152
19
LEU
CD1
17.575
2
4431
40
LEU
CD1
17.6
2
7089
113
LEU
CD1
17.6
1
17092
12
LEU
CD1
17.65
2
17900
30
LEU
CD1
17.655
1
18388
17
LEU
CD1
17.668
2
17067
48
LEU
CD1
17.7
1
6348
29
LEU
CD1
17.7
.
6348
35
LEU
CD1
17.8
.
5312
15
LEU
CD1
17.8
2
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
18692
17
LEU
CD1
18
1
5755
20
LEU
CD1
18.03
1
6709
144
LEU
CD1
18.032
1
15540
26
LEU
CD1
18.07
2
4431
42
LEU
CD1
18.2
2
4127
14
LEU
CD1
18.3
2
16708
5
LEU
CD1
18.3
1
6444
77
LEU
CD1
18.315
.
15912
104
LEU
CD1
18.33
1
16809
102
LEU
CD1
18.33
1
16809
102
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
6644
127
LEU
CD1
18.46
2
6073
13
LEU
CD1
18.47
.
15315
130
LEU
CD1
18.586
1
6049
78
LEU
CD1
18.598
.
5929
120
LEU
CD1
18.6
1
16708
197
LEU
CD1
18.6
1
5312
79
LEU
CD1
18.6
2
11124
48
LEU
CD1
18.619
2
11034
46
LEU
CD1
18.62
1
1975
56
LEU
CD1
18.63
1
15232
108
LEU
CD1
18.636
1
16707
10
LEU
CD1
18.638
1
15007
23
LEU
CD1
5.1
2