LEU CB Chemical Shift Outliers

___________________________________________________
LEU CB Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
59071
42.244
26.88
53.7
1.848


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
6116
93
LEU
CB
47.79
1
30130
63
LEU
CB
47.793
1
16385
57
LEU
CB
47.794
1
19910
86
LEU
CB
47.8
1
6594
47
LEU
CB
47.8
1
5570
140
LEU
CB
47.8
1
19625
14
LEU
CB
47.8
1
15326
53
LEU
CB
47.8
1
27531
132
LEU
CB
47.8
1
10254
16
LEU
CB
47.803
1
5090
40
LEU
CB
47.81
1
6752
242
LEU
CB
47.81
.
5606
27
LEU
CB
47.81
1
15426
167
LEU
CB
47.811
.
25328
6
LEU
CB
47.817
1
17477
155
LEU
CB
47.818
1
27455
51
LEU
CB
47.818
1
18092
93
LEU
CB
47.819
1
27459
51
LEU
CB
47.82
1
27737
91
LEU
CB
47.83
1
25799
110
LEU
CB
47.831
1
27447
81
LEU
CB
47.837
1
17621
23
LEU
CB
47.84
1
30075
16
LEU
CB
47.841
1
18377
109
LEU
CB
47.848
1
11442
130
LEU
CB
47.853
1
17364
121
LEU
CB
47.855
1
19616
175
LEU
CB
47.855
1
10318
128
LEU
CB
47.858
1
27234
98
LEU
CB
47.86
1
26937
19
LEU
CB
47.86
1
34067
49
LEU
CB
47.863
1
6876
88
LEU
CB
47.864
1
26928
76
LEU
CB
47.866
1
16016
69
LEU
CB
47.869
1
5789
110
LEU
CB
47.87
1
10164
112
LEU
CB
47.875
1
19744
175
LEU
CB
47.876
1
19742
175
LEU
CB
47.876
1
10333
98
LEU
CB
47.876
1
25798
110
LEU
CB
47.882
1
36162
36
LEU
CB
47.884
1
15706
42
LEU
CB
47.885
1
15386
36
LEU
CB
47.885
1
5031
106
LEU
CB
47.89
1
17279
31
LEU
CB
47.895
1
18849
101
LEU
CB
47.897
1
25381
113
LEU
CB
47.897
1
26962
213
LEU
CB
47.898
.
17809
79
LEU
CB
47.9
1
17399
24
LEU
CB
47.9
1
7122
97
LEU
CB
47.9
1
6034
26
LEU
CB
47.9
1
27519
19
LEU
CB
47.9
1
4136
30
LEU
CB
47.9
1
15537
20
LEU
CB
47.902
1
15469
95
LEU
CB
47.903
1
17607
98
LEU
CB
47.907
1
6781
58
LEU
CB
47.91
1
10285
56
LEU
CB
47.913
1
26751
189
LEU
CB
47.9137
1
25142
48
LEU
CB
47.919
.
25768
114
LEU
CB
47.94
1
6373
46
LEU
CB
47.94
1
15785
6
LEU
CB
47.948
.
15952
6
LEU
CB
47.948
.
5235
21
LEU
CB
47.949
1
16446
115
LEU
CB
47.95
1
19299
38
LEU
CB
47.953
1
26569
190
LEU
CB
47.953
1
10241
36
LEU
CB
47.954
1
10115
102
LEU
CB
47.957
1
15707
18
LEU
CB
47.961
1
18376
109
LEU
CB
47.969
1
17407
40
LEU
CB
47.969
1
5820
141
LEU
CB
47.976
.
19273
100
LEU
CB
47.979
1
18161
54
LEU
CB
47.981
1
27645
22
LEU
CB
47.981
1
34088
72
LEU
CB
47.982
1
19325
51
LEU
CB
47.99
1
27282
77
LEU
CB
47.992
1
25462
82
LEU
CB
47.997
1
7281
50
LEU
CB
48
1
7054
35
LEU
CB
48
1
5075
99
LEU
CB
48
1
16731
14
LEU
CB
48.003
1
18939
26
LEU
CB
48.006
1
25462
45
LEU
CB
48.01
1
19117
83
LEU
CB
48.023
1
4376
26
LEU
CB
48.03
1
15353
34
LEU
CB
48.031
1
12014
132
LEU
CB
48.035
1
16516
217
LEU
CB
48.039
1
30331
184
LEU
CB
48.04
1
15793
83
LEU
CB
48.04
1
10313
16
LEU
CB
48.047
1
25434
52
LEU
CB
48.049
.
25825
16
LEU
CB
48.052
1
16472
45
LEU
CB
48.06
1
15943
31
LEU
CB
48.06
1
17878
180
LEU
CB
48.069
1
5211
31
LEU
CB
48.07
.
26788
172
LEU
CB
48.07
1
10074
15
LEU
CB
48.081
1
16305
18
LEU
CB
48.088
1
4300
60
LEU
CB
48.09
1
26936
78
LEU
CB
48.09
1
4299
60
LEU
CB
48.09
1
16811
71
LEU
CB
48.098
1
17234
40
LEU
CB
48.1
1
5100
55
LEU
CB
48.1
1
36061
132
LEU
CB
48.103
1
17110
86
LEU
CB
48.104
1
26558
165
LEU
CB
48.108
1
15618
81
LEU
CB
48.114
1
10263
79
LEU
CB
48.116
1
17576
80
LEU
CB
48.121
1
6074
182
LEU
CB
48.128
1
11527
7
LEU
CB
48.134
1
27090
41
LEU
CB
48.146
1
6197
23
LEU
CB
48.157
1
25001
54
LEU
CB
48.176
.
26969
86
LEU
CB
48.177
1
27609
81
LEU
CB
48.178
1
16741
81
LEU
CB
48.18
.
5810
89
LEU
CB
48.182
1
16748
66
LEU
CB
48.19
1
18443
85
LEU
CB
48.199
1
15836
58
LEU
CB
48.2
1
6447
19
LEU
CB
48.2
1
5309
57
LEU
CB
48.2
1
4648
9
LEU
CB
48.2
.
18003
46
LEU
CB
48.21
1
15607
139
LEU
CB
48.21
1
19156
43
LEU
CB
48.22
1
18215
102
LEU
CB
48.221
1
17499
100
LEU
CB
48.224
1
26927
76
LEU
CB
48.229
1
16001
32
LEU
CB
48.238
1
26527
76
LEU
CB
48.241
1
26529
76
LEU
CB
48.241
1
16355
25
LEU
CB
48.245
1
11152
34
LEU
CB
48.248
1
18941
108
LEU
CB
48.249
1
27441
191
LEU
CB
48.25
1
16613
164
LEU
CB
48.251
1
26836
147
LEU
CB
48.256
1
7286
117
LEU
CB
48.256
1
19518
114
LEU
CB
48.267
1
15802
74
LEU
CB
48.268
1
26873
76
LEU
CB
48.275
1
19028
66
LEU
CB
48.281
1
34088
168
LEU
CB
48.282
1
10141
16
LEU
CB
48.283
1
17293
113
LEU
CB
48.3
1
7220
26
LEU
CB
48.3
1
4342
68
LEU
CB
48.3
1
7298
90
LEU
CB
48.3
1
16613
81
LEU
CB
48.307
1
7022
73
LEU
CB
48.316
1
6051
125
LEU
CB
48.318
1
17968
30
LEU
CB
48.33
1
17967
30
LEU
CB
48.33
1
17582
80
LEU
CB
48.331
1
36078
20
LEU
CB
48.337
1
19223
147
LEU
CB
48.34
1
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
26547
35
LEU
CB
48.372
1
6271
39
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
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
4376
9
LEU
CB
48.47
1
7286
59
LEU
CB
48.476
1
19615
175
LEU
CB
48.48
1
34089
29
LEU
CB
48.481
1
16772
94
LEU
CB
48.487
1
25776
150
LEU
CB
48.491
1
11466
116
LEU
CB
48.492
1
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
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
17085
14
LEU
CB
48.54
1
15826
53
LEU
CB
48.55
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
5719
94
LEU
CB
48.611
1
16731
66
LEU
CB
48.614
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
7242
60
LEU
CB
48.685
1
18653
93
LEU
CB
48.694
1
34088
88
LEU
CB
48.721
1
19482
19
LEU
CB
48.721
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
17263
25
LEU
CB
48.794
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
6540
80
LEU
CB
48.806
1
10008
44
LEU
CB
48.836
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
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
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
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
.
17447
140
LEU
CB
49.165
1
10073
126
LEU
CB
49.196
1
19841
25
LEU
CB
49.271
1
18277
35
LEU
CB
49.272
1
5940
82
LEU
CB
49.281
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
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
15939
30
LEU
CB
49.527
1
26929
102
LEU
CB
49.565
1
16682
18
LEU
CB
49.6
1
6341
60
LEU
CB
49.621
1
17376
208
LEU
CB
49.628
1
19742
167
LEU
CB
49.632
1
19744
167
LEU
CB
49.632
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
36013
67
LEU
CB
49.875
1
36101
67
LEU
CB
49.875
1
16648
84
LEU
CB
49.9
1
4664
18
LEU
CB
50.03
1
19615
167
LEU
CB
50.199
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
5280
38
LEU
CB
51.29
1
27602
4
LEU
CB
51.926
1
4060
77
LEU
CB
53.7
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
16984
272
LEU
CB
26.88
1
27262
38
LEU
CB
29.132
1
30032
14
LEU
CB
29.206
1
11034
55
LEU
CB
29.388
1
19615
32
LEU
CB
29.446
1
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
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
18494
60
LEU
CB
30.763
1
25173
43
LEU
CB
30.777
1
5175
16
LEU
CB
30.88
1
19063
69
LEU
CB
31.143
.
5663
29
LEU
CB
31.16
.
15820
9
LEU
CB
31.643
.
5792
76
LEU
CB
31.7
1
25573
87
LEU
CB
31.825
1
17231
77
LEU
CB
32.03
1
27078
13
LEU
CB
32.05
1
18613
140
LEU
CB
32.289
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
27280
113
LEU
CB
32.787
1
27281
113
LEU
CB
32.787
1
27278
113
LEU
CB
32.787
1
27300
143
LEU
CB
32.8
.
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
4974
1
LEU
CB
33.162
1
25380
7
LEU
CB
33.2
1
6826
45
LEU
CB
33.293
1
27859
203
LEU
CB
33.4
.
6586
63
LEU
CB
33.444
1
6586
80
LEU
CB
33.657
1
6586
48
LEU
CB
33.657
1
6586
114
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
15071
73
LEU
CB
34.04
1
15070
73
LEU
CB
34.04
1
17254
97
LEU
CB
34.197
1
6586
127
LEU
CB
34.223
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
.
19560
184
LEU
CB
34.63
1
4217
17
LEU
CB
34.68
1
6586
39
LEU
CB
34.719
1
27834
86
LEU
CB
34.844
1
27622
42
LEU
CB
34.85
.
26848
160
LEU
CB
34.973
1
4637
20
LEU
CB
35
1
15518
195
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
19230
40
LEU
CB
35.28
1
27691
264
LEU
CB
35.374
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
27174
123
LEU
CB
35.516
1
27175
123
LEU
CB
35.555
1
5288
96
LEU
CB
35.6
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
.
11133
41
LEU
CB
35.767
1
18373
122
LEU
CB
35.782
1
16712
30
LEU
CB
35.789
1
18741
265
LEU
CB
35.819
1
6080
119
LEU
CB
35.858
1
16164
90
LEU
CB
35.875
1
18373
47
LEU
CB
35.885
1
18178
100
LEU
CB
35.932
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
.
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
.
19560
128
LEU
CB
36.06
1
16884
29
LEU
CB
36.1
1
25048
176
LEU
CB
36.11
1
5678
20
LEU
CB
36.11
1
18373
118
LEU
CB
36.126
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
5547
101
LEU
CB
36.2
1
4776
125
LEU
CB
36.2
9
5547
224
LEU
CB
36.2
1
5547
23
LEU
CB
36.2
1
27859
164
LEU
CB
36.2
.
5547
227
LEU
CB
36.2
1
7130
205
LEU
CB
36.22
1
27122
77
LEU
CB
36.227
.
27210
42
LEU
CB
36.23
1
26765
110
LEU
CB
36.23
1
5627
99
LEU
CB
36.23
1
18530
114
LEU
CB
36.235
1
19560
218
LEU
CB
36.24
1
15966
37
LEU
CB
36.245
1
7241
26
LEU
CB
36.27
1
17782
8
LEU
CB
36.282
1
26767
67
LEU
CB
36.3049
.
5471
54
LEU
CB
36.33
1
17781
10
LEU
CB
36.33
1
5161
132
LEU
CB
36.331
.
18000
78
LEU
CB
36.34
1
11129
45
LEU
CB
36.371
1
18373
6
LEU
CB
36.382
1
15071
134
LEU
CB
36.39
1
18734
50
LEU
CB
36.39
1
17543
1
LEU
CB
36.395
1
36001
91
LEU
CB
36.4
.
16708
85
LEU
CB
36.4
1
15070
193
LEU
CB
36.41
1
25983
49
LEU
CB
36.465
.
18530
54
LEU
CB
36.491
1
16135
68
LEU
CB
36.52
1
11141
50
LEU
CB
36.559
1
25487
8
LEU
CB
36.602
.
27122
209
LEU
CB
36.603
.
25984
49
LEU
CB
36.623
.
25830
72
LEU
CB
36.632
1
15643
269
LEU
CB
36.646
1
27831
15
LEU
CB
36.651
1
25355
170
LEU
CB
36.655
1
34010
100
LEU
CB
36.657
.
26848
164
LEU
CB
36.658
1
6073
74
LEU
CB
36.66
.
16713
30
LEU
CB
36.662
1
5485
94
LEU
CB
36.667
1
18855
29
LEU
CB
36.673
1
27122
207
LEU
CB
36.674
.
34058
59
LEU
CB
36.674
1
5752
146
LEU
CB
36.674
1
25793
15
LEU
CB
36.676
.
18373
139
LEU
CB
36.682
1
26851
164
LEU
CB
36.687
1
6073
119
LEU
CB
36.69
.
25803
66
LEU
CB
36.695
1
30537
44
LEU
CB
36.7
1
4144
24
LEU
CB
36.7
1
16299
67
LEU
CB
36.7
1
4127
108
LEU
CB
36.7
1
19125
41
LEU
CB
36.7
1