LEU HG Chemical Shift Outliers

___________________________________________________
LEU HG Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
20509
1.507
-2.08
5.7
0.354


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
6433
92
LEU
HG
2.58
1
5850
140
LEU
HG
2.586
1
6967
50
LEU
HG
2.59
1
4974
1
LEU
HG
2.592
1
6147
57
LEU
HG
2.594
1
4821
106
LEU
HG
2.62
1
6361
11
LEU
HG
2.646
1
5745
50
LEU
HG
2.66
1
7089
125
LEU
HG
2.66
1
5809
83
LEU
HG
2.67
1
6826
26
LEU
HG
2.777
1
5809
83
LEU
HG
2.78
1
6967
56
LEU
HG
2.8
9
5018
87
LEU
HG
2.81
.
15280
40
LEU
HG
2.849
1
4589
86
LEU
HG
2.91
.
6629
4
LEU
HG
2.97
1
6147
20
LEU
HG
3.028
1
6779
4
LEU
HG
3.062
.
4497
15
LEU
HG
3.12
.
4599
15
LEU
HG
3.12
.
6230
88
LEU
HG
3.2
1
6230
88
LEU
HG
3.2
1
6147
32
LEU
HG
3.322
1
5461
26
LEU
HG
3.644
1
293
29
LEU
HG
3.9
1
5026
32
LEU
HG
4.09
.
4777
30
LEU
HG
4.25
1
6230
28
LEU
HG
4.38
2
6230
28
LEU
HG
4.41
2
5304
3
LEU
HG
4.74
1
5809
29
LEU
HG
4.75
1
5809
86
LEU
HG
4.9
1
5809
29
LEU
HG
5
1
5809
86
LEU
HG
5.07
1
1413
89
LEU
HG
5.7
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
5943
71
LEU
HG
-.003
1
7092
6
LEU
HG
-.023
1
6012
63
LEU
HG
-.024
1
2868
86
LEU
HG
-.03
1
7310
98
LEU
HG
-.037
1
15355
80
LEU
HG
-.038
.
15332
80
LEU
HG
-.038
.
4681
118
LEU
HG
-.06
.
6658
157
LEU
HG
-.07
1
6883
55
LEU
HG
-.089
1
5828
68
LEU
HG
-.11
1
7414
48
LEU
HG
-.113
1
7414
70
LEU
HG
-.115
1
15578
220
LEU
HG
-.136
1
6688
125
LEU
HG
-.14
1
7125
86
LEU
HG
-.147
1
6439
33
LEU
HG
-.156
1
1207
23
LEU
HG
-.16
1
4036
57
LEU
HG
-.18
1
4602
25
LEU
HG
-.22
1
6131
23
LEU
HG
-.232
1
6190
45
LEU
HG
-.233
.
15059
44
LEU
HG
-.234
1
6966
31
LEU
HG
-.25
1
975
63
LEU
HG
-.25
1
5280
69
LEU
HG
-.29
1
4471
30
LEU
HG
-.3
1
4786
27
LEU
HG
-.3
2
4964
63
LEU
HG
-.31
1
6868
114
LEU
HG
-.317
1
10106
71
LEU
HG
-.325
1
6125
22
LEU
HG
-.36
1
4829
55
LEU
HG
-.423
1
6337
29
LEU
HG
-.423
1
6292
30
LEU
HG
-.43
1
7121
139
LEU
HG
-.47
1
6004
75
LEU
HG
-.47
1
5365
68
LEU
HG
-.482
1
15059
166
LEU
HG
-.515
1
15048
137
LEU
HG
-.533
1
5745
27
LEU
HG
-.62
1
6310
98
LEU
HG
-.654
.
4038
58
LEU
HG
-.67
1
7180
9
LEU
HG
-.73
1
2066
63
LEU
HG
-1
1
5668
171
LEU
HG
-1.034
1
5398
171
LEU
HG
-1.034
1
2067
63
LEU
HG
-1.06
1
5745
29
LEU
HG
-2.08
1
6331
39
LEU
HG
.006
1
6578
90
LEU
HG
.025
1
5578
20
LEU
HG
.06
.
7121
158
LEU
HG
.06
1
5328
30
LEU
HG
.064
1
4553
80
LEU
HG
.07
1
6782
111
LEU
HG
.07
1
291
104
LEU
HG
.07
1
5343
35
LEU
HG
.07
1
6888
35
LEU
HG
.071
1
337
27
LEU
HG
.08
1
5567
51
LEU
HG
.08
1
1889
232
LEU
HG
.08
1
6372
65
LEU
HG
.09
1
6331
103
LEU
HG
.096
1
4786
74
LEU
HG
.1
2
6658
88
LEU
HG
.101
1
6241
155
LEU
HG
.104
1
5165
69
LEU
HG
.105
1
4661
86
LEU
HG
.12
1
15369
141
LEU
HG
.128
1
4027
62
LEU
HG
.13
1
15540
78
LEU
HG
.137
1
3442
86
LEU
HG
.14
1
6971
26
LEU
HG
.14
1
5779
94
LEU
HG
.146
1
4330
41
LEU
HG
.15
.
7020
39
LEU
HG
.154
1
5012
30
LEU
HG
.16
1
15373
25
LEU
HG
.17
1
5104
14
LEU
HG
.17
1
4879
121
LEU
HG
.17
2
5805
45
LEU
HG
.18
1
6134
53
LEU
HG
.18
1
294
44
LEU
HG
.19
1
4808
44
LEU
HG
.2
1
4809
44
LEU
HG
.2
1
4681
24
LEU
HG
.2
.
6888
22
LEU
HG
.202
1
15120
135
LEU
HG
.2039
.
6460
141
LEU
HG
.204
1
7106
19
LEU
HG
.206
1
5842
72
LEU
HG
.21
1
4804
44
LEU
HG
.21
1
4803
44
LEU
HG
.21
1
6475
117
LEU
HG
.215
1
5343
22
LEU
HG
.22
1
5100
31
LEU
HG
.22
1
5579
20
LEU
HG
.22
.
5492
44
LEU
HG
.22
1
4036
13
LEU
HG
.23
1
5628
77
LEU
HG
.23
1
6644
105
LEU
HG
.23
1
228
41
LEU
HG
.23
1
5100
31
LEU
HG
.23
1
4259
44
LEU
HG
.23
1
6658
171
LEU
HG
.231
1
4683
136
LEU
HG
.235
1
15835
131
LEU
HG
.238
1
6613
57
LEU
HG
.239
1
5929
116
LEU
HG
.24
1
1204
89
LEU
HG
.24
1
10082
72
LEU
HG
.241
1
6636
5
LEU
HG
.242
1
6613
159
LEU
HG
.244
1
4130
46
LEU
HG
.25
.
5091
46
LEU
HG
.25
1
4131
46
LEU
HG
.25
.
5077
94
LEU
HG
.25
1
6043
68
LEU
HG
.25573
1
7009
30
LEU
HG
.257
.
15591
29
LEU
HG
.269
1
7063
109
LEU
HG
.276
1
5820
94
LEU
HG
.278
.
6333
21
LEU
HG
.28
1
6369
133
LEU
HG
.28
1
4448
109
LEU
HG
.29
1
4038
141
LEU
HG
.29
1
1203
89
LEU
HG
.3
1
6001
139
LEU
HG
.3
1
4068
48
LEU
HG
.3
1
6401
31
LEU
HG
.304
1
15111
42
LEU
HG
.305
.
7125
141
LEU
HG
.305
1
15280
69
LEU
HG
.306
1
6049
78
LEU
HG
.307
.
10114
14
LEU
HG
.308
1
4202
38
LEU
HG
.31
1
2006
141
LEU
HG
.31
1
7180
4
LEU
HG
.31
1
4342
112
LEU
HG
.31
1
5233
99
LEU
HG
.31
1
11011
128
LEU
HG
.315
1
6605
17
LEU
HG
.33
.
4288
30
LEU
HG
.33
1
6454
99
LEU
HG
.33
1
5225
20
LEU
HG
.33
1
6841
28
LEU
HG
.331
.
10089
132
LEU
HG
.333
1
15581
120
LEU
HG
.336
1
1102
141
LEU
HG
.34
1
7115
134
LEU
HG
.34
1
7256
62
LEU
HG
.34
1
5233
82
LEU
HG
.34
1
5813
128
LEU
HG
.349
1
6640
18
LEU
HG
.35
1
6046
36
LEU
HG
.35
4
6054
17
LEU
HG
.35
1
15369
109
LEU
HG
.354
1
6563
9
LEU
HG
.354
1
6310
122
LEU
HG
.357
.
4925
17
LEU
HG
.358
1
15128
19
LEU
HG
.358
1
6972
82
LEU
HG
.36
1
15097
26
LEU
HG
.36
2
6640
98
LEU
HG
.36
1
6876
27
LEU
HG
.366
1
2224
84
LEU
HG
.37
1
4696
7
LEU
HG
.37
1
15722
98
LEU
HG
.3722
1
5628
107
LEU
HG
.38
1
131
37
LEU
HG
.38
1
5011
141
LEU
HG
.38
1
5947
140
LEU
HG
.382
1
6911
99
LEU
HG
.382
1
15407
33
LEU
HG
.384
1
7115
62
LEU
HG
.39
1
6369
39
LEU
HG
.39
1
6971
74
LEU
HG
.39
1
6882
21
LEU
HG
.396
1
5026
35
LEU
HG
.4
.
6046
55
LEU
HG
.4
1
229
38
LEU
HG
.4
1
6439
76
LEU
HG
.402
1
5263
143
LEU
HG
.404
.
6837
138
LEU
HG
.405
.
6645
118
LEU
HG
.41
1
1580
141
LEU
HG
.41
1
4681
120
LEU
HG
.41
.
5827
32
LEU
HG
.41
1
7055
125
LEU
HG
.41
1
4991
48
LEU
HG
.41
1
5221
99
LEU
HG
.416
1
7118
21
LEU
HG
.418
.
4679
151
LEU
HG
.42
.
7178
77
LEU
HG
.42
1
922
37
LEU
HG
.42
1
345
37
LEU
HG
.42
1
5513
11
LEU
HG
.421
1
10047
63
LEU
HG
.421
1
6479
46
LEU
HG
.424
1
7019
28
LEU
HG
.426
1
15355
41
LEU
HG
.427
.
6053
17
LEU
HG
.43
1
5846
72
LEU
HG
.43
1
6762
5
LEU
HG
.433
.
6762
5
LEU
HG
.433
.
6794
21
LEU
HG
.435
1
5828
64
LEU
HG
.44
1
4340
119
LEU
HG
.44
1
15120
21
LEU
HG
.44
.
4186
119
LEU
HG
.44
1
11011
96
LEU
HG
.44
1
5969
45
LEU
HG
.44
1
6331
51
LEU
HG
.443
1
15369
102
LEU
HG
.444
1
4821
50
LEU
HG
.445
1
4879
75
LEU
HG
0
1
4907
28
LEU
HG
0
1