LEU H Chemical Shift Outliers

___________________________________________________
LEU H Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
71522
8.216
4.077
13.22
0.630


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
5314
80
LEU
H
10.11
1
5208
50
LEU
H
10.11
1
26564
115
LEU
H
10.111
1
6074
170
LEU
H
10.111
1
18663
89
LEU
H
10.112
1
30017
74
LEU
H
10.115
1
26738
74
LEU
H
10.115
1
18613
17
LEU
H
10.118
1
5209
50
LEU
H
10.12
1
11299
33
LEU
H
10.121
1
16491
85
LEU
H
10.121
1
16032
102
LEU
H
10.121
1
16375
72
LEU
H
10.123
1
16374
72
LEU
H
10.123
1
27496
79
LEU
H
10.124
1
6786
190
LEU
H
10.125
1
6148
110
LEU
H
10.126
1
4892
5
LEU
H
10.13
.
19005
238
LEU
H
10.13
1
16406
85
LEU
H
10.13
1
15626
24
LEU
H
10.131
1
4844
192
LEU
H
10.135
1
15127
43
LEU
H
10.14
1
6252
111
LEU
H
10.14
1
19004
232
LEU
H
10.14
1
26564
115
LEU
H
10.143
1
11408
28
LEU
H
10.147
1
4332
53
LEU
H
10.15
1
26615
37
LEU
H
10.15
1
26615
37
LEU
H
10.15
1
15112
117
LEU
H
10.15
1
15127
43
LEU
H
10.15
1
18257
213
LEU
H
10.151
1
27394
45
LEU
H
10.154
.
19424
81
LEU
H
10.158
1
19615
163
LEU
H
10.159
1
15795
92
LEU
H
10.159
1
16395
197
LEU
H
10.169
1
19424
17
LEU
H
10.174
1
6333
10
LEU
H
10.179
1
25557
128
LEU
H
10.18
1
5999
26
LEU
H
10.18
1
17298
30
LEU
H
10.19
1
17909
141
LEU
H
10.195
1
16317
77
LEU
H
10.195
1
5090
100
LEU
H
10.199
1
19154
12
LEU
H
10.2
1
18721
141
LEU
H
10.20582
.
4821
119
LEU
H
10.206
1
19782
45
LEU
H
10.206
1
17432
189
LEU
H
10.207
1
17967
14
LEU
H
10.21
1
4367
230
LEU
H
10.21
1
17968
14
LEU
H
10.21
1
19208
290
LEU
H
10.213
1
7425
48
LEU
H
10.215
1
5959
36
LEU
H
10.22
1
5368
24
LEU
H
10.22
1
15112
141
LEU
H
10.223
1
4886
93
LEU
H
10.23
1
19744
163
LEU
H
10.232
1
19742
163
LEU
H
10.232
1
16451
170
LEU
H
10.24
1
4091
148
LEU
H
10.24
1
19616
18
LEU
H
10.242
1
16440
42
LEU
H
10.244
1
11299
27
LEU
H
10.244
1
16516
254
LEU
H
10.245
1
27589
231
LEU
H
10.245
1
18257
213
LEU
H
10.253
1
6090
190
LEU
H
10.262
1
18027
1
LEU
H
10.263
1
25566
128
LEU
H
10.27
1
25834
96
LEU
H
10.272
1
27588
231
LEU
H
10.276
1
27022
78
LEU
H
10.277
1
27022
189
LEU
H
10.279
1
16447
170
LEU
H
10.28
1
11573
78
LEU
H
10.282
1
27067
18
LEU
H
10.285
1
10115
75
LEU
H
10.286
1
11299
14
LEU
H
10.289
1
15960
7
LEU
H
10.29
.
30163
19
LEU
H
10.292
1
15783
7
LEU
H
10.297
.
11218
30
LEU
H
10.299
1
6364
8
LEU
H
10.3
1
11534
63
LEU
H
10.308
1
15277
66
LEU
H
10.31
1
25557
27
LEU
H
10.31
1
6359
10
LEU
H
10.315
1
4573
72
LEU
H
10.32
1
11060
71
LEU
H
10.32
1
17171
58
LEU
H
10.327
1
27688
60
LEU
H
10.328
1
26791
40
LEU
H
10.336
1
25871
65
LEU
H
10.338
1
10011
68
LEU
H
10.349
1
4091
31
LEU
H
10.35
1
6484
74
LEU
H
10.36
1
19982
60
LEU
H
10.36
1
16464
170
LEU
H
10.36
1
15061
9
LEU
H
10.361
1
11285
58
LEU
H
10.382
1
19208
50
LEU
H
10.39
1
15595
44
LEU
H
10.397
1
5606
82
LEU
H
10.4
1
4022
147
LEU
H
10.4
1
6542
50
LEU
H
10.41
1
4300
96
LEU
H
10.41
1
16494
6
LEU
H
10.42
1
16493
6
LEU
H
10.42
1
6875
13
LEU
H
10.42
1
16379
64
LEU
H
10.42
1
7418
48
LEU
H
10.421
1
4811
53
LEU
H
10.44
1
6502
46
LEU
H
10.44
1
17902
38
LEU
H
10.448
1
17890
38
LEU
H
10.455
1
18587
27
LEU
H
10.457
1
5031
98
LEU
H
10.46
1
25232
49
LEU
H
10.469
.
6199
160
LEU
H
10.47
1
19490
185
LEU
H
10.481
1
18708
126
LEU
H
10.483
1
18509
126
LEU
H
10.483
1
5090
143
LEU
H
10.484
1
19333
3
LEU
H
10.49
1
6748
28
LEU
H
10.493
.
6603
102
LEU
H
10.498
1
6551
42
LEU
H
10.5
.
6038
10
LEU
H
10.5
.
6038
10
LEU
H
10.5
.
18779
205
LEU
H
10.502
1
5232
104
LEU
H
10.53
1
435
59
LEU
H
10.53
1
434
60
LEU
H
10.53
1
11590
113
LEU
H
10.538
1
6038
10
LEU
H
10.54
.
27133
182
LEU
H
10.556
1
27133
182
LEU
H
10.562
1
5689
68
LEU
H
10.565
1
25870
65
LEU
H
10.591
1
30375
100
LEU
H
10.595
.
27729
111
LEU
H
10.596
.
25557
101
LEU
H
10.6
1
25136
8
LEU
H
10.632
1
19028
66
LEU
H
10.636
1
26745
102
LEU
H
10.64
1
6853
215
LEU
H
10.667
1
18312
34
LEU
H
10.67
1
15088
90
LEU
H
10.67
1
6542
290
LEU
H
10.67
1
26956
8
LEU
H
10.694
.
7423
32
LEU
H
10.708
1
26946
8
LEU
H
10.711
1
6549
262
LEU
H
10.73
.
25761
104
LEU
H
10.737
.
18169
5
LEU
H
10.744
1
25208
8
LEU
H
10.776
1
10108
34
LEU
H
10.862
1
5522
141
LEU
H
10.88
1
11311
138
LEU
H
10.893
1
18466
133
LEU
H
10.917
1
16311
64
LEU
H
10.919
1
15632
88
LEU
H
10.92
1
7192
44
LEU
H
10.93
1
18467
133
LEU
H
10.937
1
17255
29
LEU
H
10.951
1
6644
9
LEU
H
11.01
1
12024
103
LEU
H
11.06
1
15927
3
LEU
H
11.07
1
5884
9
LEU
H
11.088
1
6611
34
LEU
H
11.1
1
4309
84
LEU
H
11.1
1
19286
9
LEU
H
11.1
1
16905
9
LEU
H
11.109
1
5022
77
LEU
H
11.11
.
7022
139
LEU
H
11.118
1
7055
106
LEU
H
11.131
1
25356
67
LEU
H
11.15
1
16362
2
LEU
H
11.19
1
18904
129
LEU
H
11.208
.
16630
2
LEU
H
11.219
1
6011
78
LEU
H
11.23
1
4304
22
LEU
H
11.24
1
17811
106
LEU
H
11.263
1
15518
270
LEU
H
11.27
1
19720
85
LEU
H
11.32
.
15606
4
LEU
H
11.327
1
17507
128
LEU
H
11.33
1
19992
141
LEU
H
11.375
1
15334
34
LEU
H
11.385
1
15120
131
LEU
H
11.4
.
16518
110
LEU
H
11.465
1
17320
25
LEU
H
11.5
1
15396
131
LEU
H
11.51
.
15395
131
LEU
H
11.512
.
15518
203
LEU
H
11.53
1
16629
130
LEU
H
11.534
1
6549
195
LEU
H
11.54
.
4173
136
LEU
H
11.58
1
15209
12
LEU
H
11.68
1
6540
55
LEU
H
11.74
1
4318
77
LEU
H
11.75
1
5012
30
LEU
H
12.13
1
7418
32
LEU
H
12.529
1
7425
32
LEU
H
12.573
1
19208
131
LEU
H
13.063
1
6542
131
LEU
H
13.22
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
16912
77
LEU
H
4.077
1
10094
27
LEU
H
4.254
1
11036
30
LEU
H
4.525
1
4703
15
LEU
H
4.89
1
5232
62
LEU
H
4.97
1
15110
18
LEU
H
4.991
1
7024
20
LEU
H
5.049
.
11061
116
LEU
H
5.107
1
34247
50
LEU
H
5.119
1
25277
79
LEU
H
5.19
1
5073
20
LEU
H
5.206
.
10141
101
LEU
H
5.223
1
15902
60
LEU
H
5.32
1
27411
18
LEU
H
5.33
1
5042
19
LEU
H
5.33
1
4852
23
LEU
H
5.38
1
16803
19
LEU
H
5.392
1
4914
20
LEU
H
5.41
1
11303
13
LEU
H
5.455
1
11296
13
LEU
H
5.467
1
19560
31
LEU
H
5.47
1
15596
15
LEU
H
5.485
1
27762
362
LEU
H
5.557
1
4127
124
LEU
H
5.59
1
18679
41
LEU
H
5.598
1
34336
40
LEU
H
5.61
.
26991
20
LEU
H
5.614
1
17729
36
LEU
H
5.622
1
27300
101
LEU
H
5.64
.
16929
41
LEU
H
5.645
1
26933
86
LEU
H
5.664
1
27266
67
LEU
H
5.67
.
26873
85
LEU
H
5.681
1
26927
85
LEU
H
5.687
1
30042
63
LEU
H
5.692
1
27282
86
LEU
H
5.706
1
26996
94
LEU
H
5.71
.
26928
85
LEU
H
5.719
1
6564
81
LEU
H
5.72
1
15072
81
LEU
H
5.72
1
18774
80
LEU
H
5.732
1
18001
69
LEU
H
5.74
1
6726
83
LEU
H
5.747
1
18775
80
LEU
H
5.76
1
7138
224
LEU
H
5.775
.
6535
124
LEU
H
5.775
1
19232
96
LEU
H
5.775
1
19080
86
LEU
H
5.776
1
5537
52
LEU
H
5.78
1
25793
27
LEU
H
5.781
.
27859
204
LEU
H
5.8
.
16372
82
LEU
H
5.83
1
4296
45
LEU
H
5.85
1
7416
39
LEU
H
5.857
1
34005
62
LEU
H
5.882
1
19915
41
LEU
H
5.887
.
19208
275
LEU
H
5.894
1
7424
39
LEU
H
5.899
1
17521
186
LEU
H
5.929
1
1324
44
LEU
H
5.94
1
4580
38
LEU
H
5.94
1
27133
84
LEU
H
5.94
1
27133
84
LEU
H
5.943
1
16359
70
LEU
H
5.969
1
5355
42
LEU
H
5.969
1
1208
44
LEU
H
5.97
1
27211
305
LEU
H
5.97
1
6840
12
LEU
H
5.97
1
18680
41
LEU
H
5.975
1
16035
261
LEU
H
5.983
1
5658
149
LEU
H
5.99
1
4309
76
LEU
H
5.99
1
7417
18
LEU
H
5.997
1
6057
112
LEU
H
6
1
15412
71
LEU
H
6.005
1
7186
4
LEU
H
6.01
1
16832
146
LEU
H
6.034
1
16673
53
LEU
H
6.037
1
6710
47
LEU
H
6.04
1
4718
12
LEU
H
6.04
1
26765
120
LEU
H
6.042
1
11308
19
LEU
H
6.044
1
27445
12
LEU
H
6.055
1
26802
42
LEU
H
6.071
1
15448
99
LEU
H
6.08
1
27133
98
LEU
H
6.085
1
27133
98
LEU
H
6.085
1
15305
9
LEU
H
6.089
1
4716
113
LEU
H
6.09
1
17006
78
LEU
H
6.107
1
4815
9
LEU
H
6.12
1
15305
9
LEU
H
6.126
1
25010
12
LEU
H
6.134
1
18574
114
LEU
H
6.136
1
6783
65
LEU
H
6.14
1
18575
114
LEU
H
6.151
1
25007
12
LEU
H
6.157
1
27314
183
LEU
H
6.1574
1
27833
152
LEU
H
6.159
1
15966
43
LEU
H
6.177
1
15617
44
LEU
H
6.177
1
27762
152
LEU
H
6.185
1
5173
46
LEU
H
6.19
1
7249
87
LEU
H
6.196
1
6617
111
LEU
H
6.199
1
15249
88
LEU
H
6.204
1
17257
64
LEU
H
6.213
1
15700
92
LEU
H
6.214
1
6047
98
LEU
H
6.23
1
15960
77
LEU
H
6.23
.
4987
304
LEU
H
6.23
1
15643
88
LEU
H
6.238
1
30139
19
LEU
H
6.24
1
15783
77
LEU
H
6.241
.
16031
72
LEU
H
6.242
1
11333
91
LEU
H
6.25
1
19221
71
LEU
H
6.251
1
6051
38
LEU
H
6.257
1
6785
39
LEU
H
6.257
1
27314
273
LEU
H
6.2576
1
17943
72
LEU
H
6.26
1
5474
260
LEU
H
6.26
1
34194
39
LEU
H
6.27
1
7179
36
LEU
H
6.27
1
27762
300
LEU
H
6.272
1
4519
122
LEU
H
6.277
1
19219
251
LEU
H
6.28
1
16109
81
LEU
H
6.281
1
19642
69
LEU
H
6.284
.
19842
142
LEU
H
6.289
1
27091
75
LEU
H
6.295
.
25482
102
LEU
H
6.296
1
26835
265
LEU
H
6.298
1
17007
71
LEU
H
6.302
1
26832
265
LEU
H
6.303
1
27067
253
LEU
H
6.305
1
25375
265
LEU
H
6.306
.
26836
265
LEU
H
6.308
1
16032
72
LEU
H
6.314
1
16475
44
LEU
H
6.32
1
15219
112
LEU
H
6.32
1
6429
108
LEU
H
6.32
1
6416
21
LEU
H
6.32
.
11466
28
LEU
H
6.324
1
11591
4
LEU
H
6.324
1