LEU CD1 Chemical Shift Outliers

___________________________________________________
LEU CD1 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
38500
24.646
10.945
36.85
1.584


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
19156
18
LEU
CD1
29.429
2
17653
32
LEU
CD1
29.46
2
15964
28
LEU
CD1
29.46
2
17233
50
LEU
CD1
29.538
1
4136
93
LEU
CD1
29.6
2
11563
35
LEU
CD1
29.635
2
11083
94
LEU
CD1
29.805
2
17260
95
LEU
CD1
29.937
1
25832
115
LEU
CD1
29.957
1
4740
50
LEU
CD1
30.1
2
27524
61
LEU
CD1
30.179
1
27170
151
LEU
CD1
30.179
1
7089
127
LEU
CD1
31
1
25859
127
LEU
CD1
31
1
5904
41
LEU
CD1
31.8
1
5894
82
LEU
CD1
31.83
1
30447
4
LEU
CD1
31.832
.
30446
4
LEU
CD1
31.832
.
16832
125
LEU
CD1
36.85
2


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
5970
118
LEU
CD1
10.945
1
26012
199
LEU
CD1
12.174
.
5970
31
LEU
CD1
12.379
1
18864
39
LEU
CD1
14.288
2
11080
39
LEU
CD1
14.288
2
5899
52
LEU
CD1
14.469
.
27055
67
LEU
CD1
14.555
.
15826
210
LEU
CD1
15.097
2
5899
66
LEU
CD1
15.214
.
19286
112
LEU
CD1
15.32
.
16597
2
LEU
CD1
15.6
2
19792
76
LEU
CD1
15.794
.
15487
54
LEU
CD1
15.854
.
15485
29
LEU
CD1
16.087
.
25132
121
LEU
CD1
16.192
1
16058
18
LEU
CD1
16.249
1
4317
69
LEU
CD1
16.4
2
6147
108
LEU
CD1
16.764
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
34131
60
LEU
CD1
17.011
1
25972
50
LEU
CD1
17.053
.
4929
48
LEU
CD1
17.14
2
7019
28
LEU
CD1
17.225
1
4136
20
LEU
CD1
17.3
2
16002
28
LEU
CD1
17.31
2
25573
87
LEU
CD1
17.3535
2
4661
61
LEU
CD1
17.5
1
15826
134
LEU
CD1
17.515
2
18152
19
LEU
CD1
17.575
2
25859
113
LEU
CD1
17.6
1
7089
113
LEU
CD1
17.6
1
25833
37
LEU
CD1
17.63
1
17092
12
LEU
CD1
17.65
2
27435
15
LEU
CD1
17.706
2
5312
15
LEU
CD1
17.8
2
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
27078
129
LEU
CD1
18.1
1
30375
168
LEU
CD1
18.14
.
30375
8
LEU
CD1
18.158
.
19232
53
LEU
CD1
18.28
1
4127
14
LEU
CD1
18.3
2
16708
5
LEU
CD1
18.3
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
6644
127
LEU
CD1
18.46
2
6073
13
LEU
CD1
18.47
.
15315
130
LEU
CD1
18.586
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
19077
27
LEU
CD1
18.639
1
6645
44
LEU
CD1
18.64
2
5324
57
LEU
CD1
18.64
1
18152
119
LEU
CD1
18.661
2
6147
59
LEU
CD1
18.673
1
6531
49
LEU
CD1
18.673
.
30375
104
LEU
CD1
18.678
.
25573
62
LEU
CD1
18.6875
2
16160
79
LEU
CD1
18.69
2
19077
26
LEU
CD1
18.719
1
18027
39
LEU
CD1
18.744
1
1977
56
LEU
CD1
18.75
1
19778
67
LEU
CD1
18.762
.
5594
28
LEU
CD1
18.77
2
25230
52
LEU
CD1
18.829
1
6612
66
LEU
CD1
18.9
.
34058
59
LEU
CD1
18.902
2
17777
64
LEU
CD1
18.945
2
25760
138
LEU
CD1
18.977
.
25493
39
LEU
CD1
19
1
16885
50
LEU
CD1
19.005
2
18415
54
LEU
CD1
19.02
2
6346
77
LEU
CD1
19.029
2
5455
152
LEU
CD1
19.1
2
15826
204
LEU
CD1
19.112
2
18011
90
LEU
CD1
19.113
2
15531
70
LEU
CD1
19.139
.
17806
59
LEU
CD1
19.145
2
16971
53
LEU
CD1
19.19
1
4869
62
LEU
CD1
19.2
2
27435
78
LEU
CD1
19.213
1
25428
8
LEU
CD1
19.227
.
11130
51
LEU
CD1
19.228
2
19731
179
LEU
CD1
19.229
1
6807
160
LEU
CD1
19.246
1
30300
50
LEU
CD1
19.252
2
17799
81
LEU
CD1
19.256
2
5324
53
LEU
CD1
19.262
1
6645
118
LEU
CD1
19.27
2
6531
71
LEU
CD1
19.274
.
6779
69
LEU
CD1
19.293
.
16880
50
LEU
CD1
19.293
2
25859
82
LEU
CD1
19.3
1
7089
82
LEU
CD1
19.3
1
5312
66
LEU
CD1
19.3
2
4998
65
LEU
CD1
19.3
1
5866
4
LEU
CD1
19.3
2
27165
161
LEU
CD1
19.3
2
7034
31
LEU
CD1
19.302
.
27643
96
LEU
CD1
19.303
.
11143
43
LEU
CD1
19.314
2
25761
104
LEU
CD1
19.316
.
19776
144
LEU
CD1
19.317
.
19778
116
LEU
CD1
19.322
.
30375
111
LEU
CD1
19.343
.
7059
35
LEU
CD1
19.344
1
19777
144
LEU
CD1
19.346
.
18732
53
LEU
CD1
19.347
1
25970
8
LEU
CD1
19.351
.
11425
75
LEU
CD1
19.365
1
5590
72
LEU
CD1
19.37
2
6913
56
LEU
CD1
19.4
1
30275
50
LEU
CD1
19.425
1
4782
105
LEU
CD1
19.43
2
6484
52
LEU
CD1
19.43
1
26805
174
LEU
CD1
19.43
.
26558
155
LEU
CD1
19.433
2
25760
125
LEU
CD1
19.444
.
27271
52
LEU
CD1
19.457
1
16311
52
LEU
CD1
19.46
2
7241
55
LEU
CD1
19.46
1
7034
66
LEU
CD1
19.47
.
25736
21
LEU
CD1
19.48
1
30375
107
LEU
CD1
19.491
.
19778
156
LEU
CD1
19.5
.
4821
50
LEU
CD1
19.505
1
26818
74
LEU
CD1
19.506
2
15796
51
LEU
CD1
19.515
2
7300
16
LEU
CD1
19.52
2
19033
44
LEU
CD1
19.524
2
25487
7
LEU
CD1
19.525
.
18905
65
LEU
CD1
19.537
.
15487
87
LEU
CD1
19.554
.
18789
6
LEU
CD1
19.558
1
4354
160
LEU
CD1
19.56
1
18292
97
LEU
CD1
19.562
2
25487
64
LEU
CD1
19.575
.
18535
20
LEU
CD1
19.58
1
19778
188
LEU
CD1
19.587
.
17799
148
LEU
CD1
19.592
2
11080
16
LEU
CD1
19.593
2
18864
16
LEU
CD1
19.593
2
25157
102
LEU
CD1
19.6
2
5312
72
LEU
CD1
19.6
2
19232
124
LEU
CD1
19.61
1
25573
96
LEU
CD1
19.6123
2
17706
119
LEU
CD1
19.627
2
17021
120
LEU
CD1
19.639
1
15669
11
LEU
CD1
19.64
1
25793
15
LEU
CD1
19.64
.
25970
55
LEU
CD1
19.64
.
19842
143
LEU
CD1
19.642
2
15485
48
LEU
CD1
19.648
.
34058
31
LEU
CD1
19.653
2
18000
140
LEU
CD1
19.66
2
18801
39
LEU
CD1
19.666
.
4052
89
LEU
CD1
19.67
.
25829
33
LEU
CD1
19.678
1
34041
31
LEU
CD1
19.679
2
11199
54
LEU
CD1
19.684
2
18154
148
LEU
CD1
19.687
1
11086
37
LEU
CD1
19.691
2
17570
188
LEU
CD1
19.693
2
25428
9
LEU
CD1
19.695
.
30514
16
LEU
CD1
19.7
2
25859
162
LEU
CD1
19.7
1
5711
72
LEU
CD1
19.7
2
7089
162
LEU
CD1
19.7
1
16032
105
LEU
CD1
19.717
1
19034
15
LEU
CD1
19.72
2
26985
129
LEU
CD1
19.72
.
27249
126
LEU
CD1
19.723
.
19726
80
LEU
CD1
19.739
1
16269
49
LEU
CD1
19.748
2
18905
89
LEU
CD1
19.754
.
11145
47
LEU
CD1
19.784
2
4264
77
LEU
CD1
19.79
2
5324
125
LEU
CD1
19.801
1
30527
28
LEU
CD1
19.808
1
17479
195
LEU
CD1
19.82
1
26805
54
LEU
CD1
19.821
.
11141
106
LEU
CD1
19.83
2
6503
94
LEU
CD1
19.831
2
6080
149
LEU
CD1
19.831
1
18435
92
LEU
CD1
19.84
1
25924
32
LEU
CD1
19.864
.
19330
105
LEU
CD1
19.88
1
18108
45
LEU
CD1
19.883
2