LEU CB Chemical Shift Outliers

___________________________________________________
LEU CB Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
38107
42.272
26.4
53.7
1.855


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
17621
23
LEU
CB
47.84
1
18377
109
LEU
CB
47.848
1
17191
22
LEU
CB
47.852
1
11442
130
LEU
CB
47.853
1
17364
121
LEU
CB
47.855
1
10318
128
LEU
CB
47.858
1
6876
88
LEU
CB
47.864
1
16016
69
LEU
CB
47.869
1
5789
110
LEU
CB
47.87
1
10164
112
LEU
CB
47.875
1
10333
98
LEU
CB
47.876
1
15386
36
LEU
CB
47.885
1
15706
42
LEU
CB
47.885
1
18125
53
LEU
CB
47.89
1
5031
106
LEU
CB
47.89
1
17279
31
LEU
CB
47.895
1
18849
101
LEU
CB
47.897
1
17399
24
LEU
CB
47.9
1
4136
30
LEU
CB
47.9
1
17809
79
LEU
CB
47.9
1
7122
97
LEU
CB
47.9
1
6034
26
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
10267
94
LEU
CB
47.91
1
6781
58
LEU
CB
47.91
1
10285
56
LEU
CB
47.913
1
6373
46
LEU
CB
47.94
1
15952
6
LEU
CB
47.948
.
5235
21
LEU
CB
47.949
1
16446
115
LEU
CB
47.95
1
10241
36
LEU
CB
47.954
1
10115
102
LEU
CB
47.957
1
17407
40
LEU
CB
47.969
1
18376
109
LEU
CB
47.969
1
5820
141
LEU
CB
47.976
.
18161
54
LEU
CB
47.981
1
5075
99
LEU
CB
48
1
7054
35
LEU
CB
48
1
7281
50
LEU
CB
48
1
16731
14
LEU
CB
48.003
1
18939
26
LEU
CB
48.006
1
4376
26
LEU
CB
48.03
1
15353
34
LEU
CB
48.031
1
16516
199
LEU
CB
48.039
1
15793
83
LEU
CB
48.04
1
10313
16
LEU
CB
48.047
1
15943
31
LEU
CB
48.06
1
16472
45
LEU
CB
48.06
1
17878
180
LEU
CB
48.069
1
5211
31
LEU
CB
48.07
.
10074
15
LEU
CB
48.081
1
16305
18
LEU
CB
48.088
1
4299
60
LEU
CB
48.09
1
4300
60
LEU
CB
48.09
1
16811
71
LEU
CB
48.098
1
5100
55
LEU
CB
48.1
1
17234
40
LEU
CB
48.1
1
17110
86
LEU
CB
48.104
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
6197
23
LEU
CB
48.157
1
16741
81
LEU
CB
48.18
.
5810
89
LEU
CB
48.182
1
18443
85
LEU
CB
48.199
1
5309
57
LEU
CB
48.2
1
6447
19
LEU
CB
48.2
1
18003
46
LEU
CB
48.21
1
18215
102
LEU
CB
48.221
1
17499
100
LEU
CB
48.224
1
16001
32
LEU
CB
48.238
1
16355
25
LEU
CB
48.245
1
11152
34
LEU
CB
48.248
1
18941
108
LEU
CB
48.249
1
16613
164
LEU
CB
48.251
1
7286
117
LEU
CB
48.256
1
15802
74
LEU
CB
48.268
1
10141
16
LEU
CB
48.283
1
7298
90
LEU
CB
48.3
1
4342
68
LEU
CB
48.3
1
7220
26
LEU
CB
48.3
1
17293
113
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
17967
30
LEU
CB
48.33
1
17968
30
LEU
CB
48.33
1
17582
80
LEU
CB
48.331
1
18837
32
LEU
CB
48.353
1
18123
52
LEU
CB
48.355
1
7240
211
LEU
CB
48.364
1
18125
52
LEU
CB
48.38
1
6271
39
LEU
CB
48.38
1
10250
24
LEU
CB
48.381
1
17842
122
LEU
CB
48.385
1
11283
76
LEU
CB
48.388
1
18567
113
LEU
CB
48.399
1
4070
68
LEU
CB
48.4
1
15133
28
LEU
CB
48.4
1
16191
63
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
7020
39
LEU
CB
48.439
1
4376
9
LEU
CB
48.47
1
7286
59
LEU
CB
48.476
1
16772
94
LEU
CB
48.487
1
11466
116
LEU
CB
48.492
1
5032
38
LEU
CB
48.5
1
17597
255
LEU
CB
48.5
1
11441
116
LEU
CB
48.5
1
16518
29
LEU
CB
48.5
1
6256
61
LEU
CB
48.5
1
16188
55
LEU
CB
48.501
1
16840
38
LEU
CB
48.526
1
15326
49
LEU
CB
48.53
1
16472
60
LEU
CB
48.531
1
17085
14
LEU
CB
48.54
1
15826
53
LEU
CB
48.55
1
5736
56
LEU
CB
48.56
.
5666
220
LEU
CB
48.57
1
6753
14
LEU
CB
48.58
.
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
.
16788
55
LEU
CB
48.65
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
10164
27
LEU
CB
48.728
1
18993
34
LEU
CB
48.731
1
16673
23
LEU
CB
48.739
1
15426
87
LEU
CB
48.742
.
6341
136
LEU
CB
48.76
1
6341
40
LEU
CB
48.78
1
18204
123
LEU
CB
48.781
1
17263
25
LEU
CB
48.794
1
16992
81
LEU
CB
48.799
1
18394
20
LEU
CB
48.8
1
7220
34
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
15139
109
LEU
CB
48.9
1
4722
41
LEU
CB
48.9
1
4340
126
LEU
CB
48.9
1
5792
65
LEU
CB
48.9
1
10254
14
LEU
CB
48.936
1
4901
67
LEU
CB
48.94
1
18473
26
LEU
CB
49.003
1
15403
62
LEU
CB
49.02
1
6783
130
LEU
CB
49.02
1
17007
91
LEU
CB
49.046
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
18108
69
LEU
CB
49.144
1
7382
50
LEU
CB
49.152
.
17447
140
LEU
CB
49.165
1
10073
126
LEU
CB
49.196
1
18277
35
LEU
CB
49.272
1
5940
82
LEU
CB
49.281
1
6140
247
LEU
CB
49.33
1
16874
25
LEU
CB
49.406
1
19113
65
LEU
CB
49.488
1
15939
30
LEU
CB
49.527
1
16682
18
LEU
CB
49.6
1
6341
60
LEU
CB
49.621
1
17376
208
LEU
CB
49.628
1
18647
145
LEU
CB
49.7115
1
6074
174
LEU
CB
49.754
1
17577
18
LEU
CB
49.8
1
16648
84
LEU
CB
49.9
1
16992
138
LEU
CB
50.019
1
4664
18
LEU
CB
50.03
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
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
7115
62
LEU
CB
26.4
1
16984
272
LEU
CB
26.88
1
15162
71
LEU
CB
29.7
1
17010
20
LEU
CB
29.74
1
15102
45
LEU
CB
29.753
1
4972
10
LEU
CB
30.26
1
18494
60
LEU
CB
30.763
1
5175
16
LEU
CB
30.88
1
15820
9
LEU
CB
31.643
.
5792
76
LEU
CB
31.7
1
17231
77
LEU
CB
32.03
1
4271
5
LEU
CB
32.6
1
5547
73
LEU
CB
32.7
1
6586
33
LEU
CB
32.878
1
6584
51
LEU
CB
32.897
1
6278
97
LEU
CB
33
1
7257
90
LEU
CB
33.073
1
4974
1
LEU
CB
33.162
1
6826
45
LEU
CB
33.293
1
6586
63
LEU
CB
33.444
1
6586
114
LEU
CB
33.657
1
6586
80
LEU
CB
33.657
1
6586
48
LEU
CB
33.657
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
17231
102
LEU
CB
34.47
1
6586
23
LEU
CB
34.507
1
6549
187
LEU
CB
34.54
.
4217
17
LEU
CB
34.68
1
6586
39
LEU
CB
34.719
1
15518
195
LEU
CB
35
1
4637
20
LEU
CB
35
1
15008
119
LEU
CB
35.187
1
6418
185
LEU
CB
35.265
1
19230
40
LEU
CB
35.28
1
11250
72
LEU
CB
35.468
1
5288
96
LEU
CB
35.6
1
6586
84
LEU
CB
35.64
1
18183
105
LEU
CB
35.683
1
17289
113
LEU
CB
35.702
1
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
18389
140
LEU
CB
35.872
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
6080
114
LEU
CB
36.024
1
16884
29
LEU
CB
36.1
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
5547
23
LEU
CB
36.2
1
5547
227
LEU
CB
36.2
1
4776
125
LEU
CB
36.2
9
5547
224
LEU
CB
36.2
1
7130
205
LEU
CB
36.22
1
5627
99
LEU
CB
36.23
1
18530
114
LEU
CB
36.235
1
15966
37
LEU
CB
36.245
1
7241
26
LEU
CB
36.27
1
17782
8
LEU
CB
36.282
1
17781
10
LEU
CB
36.33
1
5471
54
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
16708
85
LEU
CB
36.4
1
15070
193
LEU
CB
36.41
1
18530
54
LEU
CB
36.491
1
16135
68
LEU
CB
36.52
1
11141
50
LEU
CB
36.559
1
15643
269
LEU
CB
36.646
1
6073
74
LEU
CB
36.66
.
16713
30
LEU
CB
36.662
1
5485
94
LEU
CB
36.667
1
5752
146
LEU
CB
36.674
1
18373
139
LEU
CB
36.682
1
6073
119
LEU
CB
36.69
.
16299
67
LEU
CB
36.7
1
4144
24
LEU
CB
36.7
1