LEU CB Chemical Shift Outliers

___________________________________________________
LEU CB Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
75973
42.259
7.439
93.18
2.027


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
25776
47
LEU
CB
48.343
1
18837
32
LEU
CB
48.353
1
36077
20
LEU
CB
48.353
1
18123
52
LEU
CB
48.355
1
7240
211
LEU
CB
48.364
1
6606
47
LEU
CB
48.37
1
26547
35
LEU
CB
48.372
1
6271
39
LEU
CB
48.38
1
18125
52
LEU
CB
48.38
1
27248
65
LEU
CB
48.38
.
10250
24
LEU
CB
48.381
1
17842
122
LEU
CB
48.385
1
11283
76
LEU
CB
48.388
1
26835
147
LEU
CB
48.391
1
18567
113
LEU
CB
48.399
1
16191
63
LEU
CB
48.4
1
15133
28
LEU
CB
48.4
1
4070
68
LEU
CB
48.4
1
15240
47
LEU
CB
48.404
1
4444
6
LEU
CB
48.41
.
4599
15
LEU
CB
48.42
.
4497
15
LEU
CB
48.42
.
15419
40
LEU
CB
48.426
1
25288
30
LEU
CB
48.428
1
30345
44
LEU
CB
48.429
.
7020
39
LEU
CB
48.439
1
27078
171
LEU
CB
48.45
1
30100
133
LEU
CB
48.453
.
27307
28
LEU
CB
48.46
1
10037
20
LEU
CB
48.461
1
4829
24
LEU
CB
48.463
1
15129
20
LEU
CB
48.464
1
4376
9
LEU
CB
48.47
1
7286
59
LEU
CB
48.476
1
19615
175
LEU
CB
48.48
1
5129
6
LEU
CB
48.48
1
34089
29
LEU
CB
48.481
1
16773
94
LEU
CB
48.487
1
16772
94
LEU
CB
48.487
1
25776
150
LEU
CB
48.491
1
11466
116
LEU
CB
48.492
1
34216
82
LEU
CB
48.492
.
4881
50
LEU
CB
48.5
1
18338
48
LEU
CB
48.5
.
17597
255
LEU
CB
48.5
1
27395
9
LEU
CB
48.5
1
6256
61
LEU
CB
48.5
1
5032
38
LEU
CB
48.5
1
11441
116
LEU
CB
48.5
1
16518
29
LEU
CB
48.5
1
16188
55
LEU
CB
48.501
1
17265
113
LEU
CB
48.508
1
7207
75
LEU
CB
48.51
1
36060
41
LEU
CB
48.512
.
25492
14
LEU
CB
48.522
1
16840
38
LEU
CB
48.526
1
15326
49
LEU
CB
48.53
1
16472
60
LEU
CB
48.531
1
26933
77
LEU
CB
48.532
1
4566
57
LEU
CB
48.54
1
17085
14
LEU
CB
48.54
1
25238
10
LEU
CB
48.544
.
18901
43
LEU
CB
48.549
.
15826
53
LEU
CB
48.55
1
19991
81
LEU
CB
48.553
1
30098
14
LEU
CB
48.558
1
5736
56
LEU
CB
48.56
.
5666
220
LEU
CB
48.57
1
30345
44
LEU
CB
48.575
.
6753
14
LEU
CB
48.58
.
25675
53
LEU
CB
48.585
1
19687
172
LEU
CB
48.599
1
6611
51
LEU
CB
48.6
1
17314
45
LEU
CB
48.607
1
5719
94
LEU
CB
48.611
1
16731
66
LEU
CB
48.614
1
27224
177
LEU
CB
48.62
1
27469
177
LEU
CB
48.63
1
27470
177
LEU
CB
48.63
1
5820
138
LEU
CB
48.644
.
36161
15
LEU
CB
48.645
1
25385
16
LEU
CB
48.6451
1
16788
55
LEU
CB
48.65
1
26832
147
LEU
CB
48.652
1
6356
81
LEU
CB
48.658
.
15660
49
LEU
CB
48.67
1
6140
139
LEU
CB
48.67
1
11351
135
LEU
CB
48.68
1
7242
60
LEU
CB
48.685
1
18653
93
LEU
CB
48.694
1
6906
41
LEU
CB
48.7
9
34088
88
LEU
CB
48.721
1
19482
19
LEU
CB
48.721
1
19854
108
LEU
CB
48.722
1
25554
108
LEU
CB
48.722
1
19852
108
LEU
CB
48.722
1
10164
27
LEU
CB
48.728
1
18993
34
LEU
CB
48.731
1
27146
43
LEU
CB
48.732
1
16673
23
LEU
CB
48.739
1
26814
147
LEU
CB
48.74
1
15426
87
LEU
CB
48.742
.
6341
136
LEU
CB
48.76
1
27170
80
LEU
CB
48.767
1
6341
40
LEU
CB
48.78
1
34185
85
LEU
CB
48.78
1
18204
123
LEU
CB
48.781
1
17382
66
LEU
CB
48.788
1
17263
25
LEU
CB
48.794
1
17310
131
LEU
CB
48.795
1
5365
37
LEU
CB
48.798
1
16992
81
LEU
CB
48.799
1
7220
34
LEU
CB
48.8
1
18394
20
LEU
CB
48.8
1
17025
25
LEU
CB
48.801
1
15802
52
LEU
CB
48.805
1
6575
42
LEU
CB
48.805
1
6540
80
LEU
CB
48.806
1
11306
83
LEU
CB
48.813
1
10008
44
LEU
CB
48.836
1
15727
183
LEU
CB
48.856
1
15593
38
LEU
CB
48.86
1
15334
51
LEU
CB
48.872
1
4340
126
LEU
CB
48.9
1
5792
65
LEU
CB
48.9
1
15607
247
LEU
CB
48.9
1
15139
109
LEU
CB
48.9
1
4722
41
LEU
CB
48.9
1
27439
37
LEU
CB
48.934
1
10254
14
LEU
CB
48.936
1
4901
67
LEU
CB
48.94
1
25776
114
LEU
CB
48.977
1
16734
91
LEU
CB
48.98
1
16909
44
LEU
CB
49
1
4082
112
LEU
CB
49
1
18473
26
LEU
CB
49.003
1
6783
130
LEU
CB
49.02
1
15403
62
LEU
CB
49.02
1
27352
77
LEU
CB
49.028
1
27352
94
LEU
CB
49.028
1
27352
93
LEU
CB
49.028
1
17007
91
LEU
CB
49.046
1
26944
64
LEU
CB
49.046
.
18165
44
LEU
CB
49.048
1
19840
25
LEU
CB
49.054
1
27020
96
LEU
CB
49.069
1
27659
118
LEU
CB
49.0883
1
11062
26
LEU
CB
49.097
1
5051
100
LEU
CB
49.1
1
19857
62
LEU
CB
49.117
1
15684
146
LEU
CB
49.127
.
16840
140
LEU
CB
49.132
1
15501
208
LEU
CB
49.133
1
11575
46
LEU
CB
49.139
1
18108
69
LEU
CB
49.144
1
25482
130
LEU
CB
49.147
1
7382
50
LEU
CB
49.152
.
4565
27
LEU
CB
49.16
1
25993
123
LEU
CB
49.161
1
17447
140
LEU
CB
49.165
1
6763
22
LEU
CB
49.18
.
34225
61
LEU
CB
49.18
1
17501
130
LEU
CB
49.185
1
10073
126
LEU
CB
49.196
1
4617
82
LEU
CB
49.22
.
10035
18
LEU
CB
49.258
1
19841
25
LEU
CB
49.271
1
18277
35
LEU
CB
49.272
1
5940
82
LEU
CB
49.281
1
10299
48
LEU
CB
49.296
1
17421
29
LEU
CB
49.312
1
27146
60
LEU
CB
49.318
1
6140
247
LEU
CB
49.33
1
4265
146
LEU
CB
49.33
1
19800
6
LEU
CB
49.345
.
26529
36
LEU
CB
49.351
1
26527
36
LEU
CB
49.351
1
5081
91
LEU
CB
49.364
1
18994
125
LEU
CB
49.372
1
27811
133
LEU
CB
49.393
1
16874
24
LEU
CB
49.406
1
34088
88
LEU
CB
49.473
1
19113
65
LEU
CB
49.488
1
25993
166
LEU
CB
49.498
1
15939
30
LEU
CB
49.527
1
26929
102
LEU
CB
49.565
1
16682
18
LEU
CB
49.6
1
6026
57
LEU
CB
49.6
1
19855
38
LEU
CB
49.605
1
6341
60
LEU
CB
49.621
1
17376
208
LEU
CB
49.628
1
5337
54
LEU
CB
49.63
1
4675
61
LEU
CB
49.63
1
19742
167
LEU
CB
49.632
1
19744
167
LEU
CB
49.632
1
6964
35
LEU
CB
49.7
1
19048
44
LEU
CB
49.706
1
18647
145
LEU
CB
49.7115
1
6074
174
LEU
CB
49.754
1
27424
6
LEU
CB
49.773
1
19047
44
LEU
CB
49.798
1
17577
18
LEU
CB
49.8
1
19616
167
LEU
CB
49.803
1
34121
68
LEU
CB
49.871
1
36013
67
LEU
CB
49.875
1
36101
67
LEU
CB
49.875
1
16648
84
LEU
CB
49.9
1
17382
123
LEU
CB
50.003
1
10336
51
LEU
CB
50.019
1
16992
138
LEU
CB
50.019
1
4664
18
LEU
CB
50.03
1
11288
90
LEU
CB
50.18
1
19615
167
LEU
CB
50.199
1
11578
67
LEU
CB
50.278
1
11594
67
LEU
CB
50.278
1
5666
44
LEU
CB
50.37
1
4060
71
LEU
CB
50.41
1
17829
150
LEU
CB
50.456
1
6613
56
LEU
CB
50.556
1
18133
119
LEU
CB
50.579
1
1404
32
LEU
CB
50.9
1
5280
38
LEU
CB
51.29
1
27602
4
LEU
CB
51.926
1
4232
79
LEU
CB
52.42
1
4232
58
LEU
CB
52.61
1
4232
49
LEU
CB
53.29
1
4232
42
LEU
CB
53.48
1
4060
77
LEU
CB
53.7
1
25278
41
LEU
CB
53.8
1
25278
68
LEU
CB
54.8
1
16309
18
LEU
CB
55.546
1
4232
14
LEU
CB
55.77
1
17626
69
LEU
CB
61.46
1
27621
69
LEU
CB
62.97
.
16729
116
LEU
CB
63.322
1
6622
26
LEU
CB
63.8738
1
17626
75
LEU
CB
64.47
1
16729
305
LEU
CB
67.716
1
25382
33
LEU
CB
69.053
.
16334
122
LEU
CB
69.1
1
25382
47
LEU
CB
69.736
.
25382
59
LEU
CB
69.879
.
25382
84
LEU
CB
70.354
.
19458
110
LEU
CB
71.0627
.
25382
24
LEU
CB
71.796
.
25382
73
LEU
CB
72.501
.
15877
11
LEU
CB
73.601
1
4150
73
LEU
CB
81.21
.
4150
12
LEU
CB
83.013
.
4150
39
LEU
CB
84.498
.
4150
26
LEU
CB
84.667
.
4150
20
LEU
CB
84.806
.
4150
24
LEU
CB
86.153
.
5179
13
LEU
CB
89.18
.
5179
11
LEU
CB
90.28
.
5179
46
LEU
CB
90.28
.
5179
38
LEU
CB
92.98
.
5179
36
LEU
CB
93.18
.


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
5592
22
LEU
CB
16.38
1
16729
48
LEU
CB
17.161
1
16729
87
LEU
CB
18.043
1
15875
56
LEU
CB
18.688
1
17640
163
LEU
CB
18.875
1
17626
60
LEU
CB
20
1
26876
14
LEU
CB
24.403
1
16237
168
LEU
CB
25.03
1
16337
10
LEU
CB
25.2
9
25917
29
LEU
CB
26.262
.
7115
62
LEU
CB
26.4
1
18969
113
LEU
CB
26.707
1
16984
272
LEU
CB
26.88
1
16729
150
LEU
CB
27.212
1
4068
23
LEU
CB
27.31
1
16729
240
LEU
CB
27.321
1
16729
78
LEU
CB
27.507
1
18969
79
LEU
CB
27.756
1
16337
175
LEU
CB
28
4
18609
68
LEU
CB
28.232
1
16729
97
LEU
CB
28.716
1
16729
214
LEU
CB
28.809
1
17693
21
LEU
CB
28.856
1
11453
27
LEU
CB
28.977
1
16337
260
LEU
CB
29
1
16337
244
LEU
CB
29.1
1
27262
38
LEU
CB
29.132
1
11453
38
LEU
CB
29.179
1
30032
14
LEU
CB
29.206
1
16134
101
LEU
CB
29.379
1
11034
55
LEU
CB
29.388
1
16850
97
LEU
CB
29.4
1
19615
32
LEU
CB
29.446
1
25640
68
LEU
CB
29.589
1
26725
83
LEU
CB
29.666
.
6539
91
LEU
CB
29.697
1
15162
71
LEU
CB
29.7
1
17010
20
LEU
CB
29.74
1
15102
45
LEU
CB
29.753
1
4353
30
LEU
CB
29.9
1
18170
148
LEU
CB
30.03
1
27262
98
LEU
CB
30.047
1
19134
3
LEU
CB
30.12
1
6519
78
LEU
CB
30.192
1
12009
186
LEU
CB
30.231
1
4972
10
LEU
CB
30.26
1
19901
17
LEU
CB
30.272
1
5317
60
LEU
CB
30.4
1
16337
143
LEU
CB
30.5
9
18578
42
LEU
CB
30.604
1
18494
60
LEU
CB
30.763
1
25173
43
LEU
CB
30.777
1
7202
37
LEU
CB
30.8
1
27121
259
LEU
CB
30.851
.
5175
16
LEU
CB
30.88
1
16729
261
LEU
CB
31.049
1
19063
69
LEU
CB
31.143
.
16729
198
LEU
CB
31.156
1
5663
29
LEU
CB
31.16
.
11453
52
LEU
CB
31.192
1
19145
124
LEU
CB
31.239
1
15304
48
LEU
CB
31.42
1
16729
178
LEU
CB
31.555
1
15820
9
LEU
CB
31.643
.
16729
334
LEU
CB
31.677
1
16850
45
LEU
CB
31.69
1
5792
76
LEU
CB
31.7
1
25573
87
LEU
CB
31.825
1
27869
54
LEU
CB
31.869
1
17231
77
LEU
CB
32.03
1
27078
13
LEU
CB
32.05
1
19740
358
LEU
CB
32.118
.
18613
140
LEU
CB
32.289
1
4695
2
LEU
CB
32.5
1
26942
90
LEU
CB
32.512
1
19063
24
LEU
CB
32.595
.
4271
5
LEU
CB
32.6
1
5547
73
LEU
CB
32.7
1
25573
67
LEU
CB
32.7464
1
27281
113
LEU
CB
32.787
1
27280
113
LEU
CB
32.787
1
27278
113
LEU
CB
32.787
1
27300
143
LEU
CB
32.8
.
17846
90
LEU
CB
32.83
1
11453
19
LEU
CB
32.859
1
16787
31
LEU
CB
32.861
1
6586
33
LEU
CB
32.878
1
6584
51
LEU
CB
32.897
1
19333
25
LEU
CB
32.94
1
6278
97
LEU
CB
33
1
7257
90
LEU
CB
33.073
1
25267
22
LEU
CB
33.14
1
17148
71
LEU
CB
33.145
1
4974
1
LEU
CB
33.162
1
25380
7
LEU
CB
33.2
1
6826
45
LEU
CB
33.293
1
11596
65
LEU
CB
33.302
1
16850
22
LEU
CB
33.31
1
27859
203
LEU
CB
33.4
.
6586
63
LEU
CB
33.444
1
19884
50
LEU
CB
33.511
1
6586
114
LEU
CB
33.657
1
6586
80
LEU
CB
33.657
1
6586
48
LEU
CB
33.657
1
19063
83
LEU
CB
33.701
.
25226
77
LEU
CB
33.886
1
25225
77
LEU
CB
33.886
1
5547
232
LEU
CB
33.9
1
5547
8
LEU
CB
33.9
1
15070
73
LEU
CB
34.04
1
15071
73
LEU
CB
34.04
1
16337
245
LEU
CB
34.1
1
16809
102
LEU
CB
34.16
1
15912
104
LEU
CB
34.16
1
15912
104
LEU
CB
34.16
1
16809
102
LEU
CB
34.16
1
27080
147
LEU
CB
34.166
1
17254
97
LEU
CB
34.197
1
6586
127
LEU
CB
34.223
1
26871
228
LEU
CB
34.2515
1
6586
55
LEU
CB
34.294
1
5288
71
LEU
CB
34.4
1
26851
77
LEU
CB
34.423
1
26848
77
LEU
CB
34.465
1
17231
102
LEU
CB
34.47
1
6586
23
LEU
CB
34.507
1
6549
187
LEU
CB
34.54
.
6685
119
LEU
CB
34.557
1
25588
105
LEU
CB
34.563
1
19560
184
LEU
CB
34.63
1
4217
17
LEU
CB
34.68
1
6586
39
LEU
CB
34.719
1
18934
66
LEU
CB
34.775
1
4431
15
LEU
CB
34.8
1
4431
95
LEU
CB
34.8
1
17027
71
LEU
CB
34.84
1
27834
86
LEU
CB
34.844
1
27622
42
LEU
CB
34.85
.
5929
120
LEU
CB
34.9
1
26848
160
LEU
CB
34.973
1
17975
192
LEU
CB
34.9815
1
15518
195
LEU
CB
35
1
4637
20
LEU
CB
35
1
26851
160
LEU
CB
35.091
1
27191
135
LEU
CB
35.174
1
15008
119
LEU
CB
35.187
1
27185
135
LEU
CB
35.1927
1
30133
57
LEU
CB
35.198
9
6418
185
LEU
CB
35.265
1
19230
40
LEU
CB
35.28
1
17529
39
LEU
CB
35.357
1
27691
264
LEU
CB
35.374
1
16767
40
LEU
CB
35.384
1
19941
32
LEU
CB
35.4202
1
25656
33
LEU
CB
35.455
.
25573
115
LEU
CB
35.458
1
11250
72
LEU
CB
35.468
1
25792
26
LEU
CB
35.471
.
27411
77
LEU
CB
35.5
1
26871
293
LEU
CB
35.5024
1
18388
140
LEU
CB
35.512
1
27174
123
LEU
CB
35.516
1
27175
123
LEU
CB
35.555
1
19511
22
LEU
CB
35.557
1
4572
29
LEU
CB
35.6
1
5288
96
LEU
CB
35.6
1
17660
129
LEU
CB
35.629
1
6586
84
LEU
CB
35.64
1
18183
105
LEU
CB
35.683
1
30518
21
LEU
CB
35.69
1
17289
113
LEU
CB
35.702
1
19107
214
LEU
CB
35.715
.
18182
105
LEU
CB
35.747
1
11133
41
LEU
CB
35.767
1
18373
122
LEU
CB
35.782
1
16712
30
LEU
CB
35.789
1
30133
154
LEU
CB
35.789
9
6683
68
LEU
CB
35.8
1
18741
265
LEU
CB
35.819
1
18958
14
LEU
CB
35.834
1
6080
119
LEU
CB
35.858
1
18389
140
LEU
CB
35.872
1
6821
126
LEU
CB
35.874
.
16164
90
LEU
CB
35.875
1
18373
47
LEU
CB
35.885
1
18178
100
LEU
CB
35.932
1
17416
99
LEU
CB
35.951
1
5514
137
LEU
CB
35.96
1
17288
88
LEU
CB
35.976
1
11084
48
LEU
CB
35.992
1
27859
212
LEU
CB
36
.
6501
106
LEU
CB
36
1
25656
26
LEU
CB
36.02
.
6080
114
LEU
CB
36.024
1
27555
58
LEU
CB
36.026
1
27834
4
LEU
CB
36.049
1
26619
63
LEU
CB
36.05
.
18935
66
LEU
CB
36.058
1
19560
128
LEU
CB
36.06
1
17251
177
LEU
CB
36.07
1
16884
29
LEU
CB
36.1
1
18969
89
LEU
CB
36.106
1
25048
176
LEU
CB
36.11
1
5678
20
LEU
CB
36.11
1
18373
118
LEU
CB
36.126
1
16767
112
LEU
CB
36.137
1
5678
139
LEU
CB
36.14
1
16902
69
LEU
CB
36.141
1
5324
57
LEU
CB
36.143
1
5678
115
LEU
CB
36.16
1
25681
36
LEU
CB
7.439
.