HIS HB3 Chemical Shift Outliers

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HIS HB3 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
3961
3.053
.52
8.7
0.386


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
1208
78
HIS
HB3
6.97
1
2489
18
HIS
HB3
8.7
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
5578
116
HIS
HB3
.52
.
5319
117
HIS
HB3
.55
1
5579
116
HIS
HB3
.55
.
5048
117
HIS
HB3
.6
1
6342
45
HIS
HB3
.7
2
4478
58
HIS
HB3
.7
1
5884
6
HIS
HB3
.857
1
5692
46
HIS
HB3
.94
1
6869
58
HIS
HB3
1.04
1
1208
61
HIS
HB3
1.07
1
4024
55
HIS
HB3
1.12
1
6559
17
HIS
HB3
1.182
.
6559
17
HIS
HB3
1.182
.
15295
130
HIS
HB3
1.193
2
6719
6
HIS
HB3
1.199
.
5623
15
HIS
HB3
1.202
1
6648
27
HIS
HB3
1.241
1
6578
73
HIS
HB3
1.25
2
15112
73
HIS
HB3
1.259
2
6558
17
HIS
HB3
1.264
.
6558
17
HIS
HB3
1.276
.
6096
55
HIS
HB3
1.282
2
6995
16
HIS
HB3
1.33
2
4158
82
HIS
HB3
1.33
2
7059
51
HIS
HB3
1.364
1
2068
102
HIS
HB3
1.4
1
4928
26
HIS
HB3
1.447
.
5627
74
HIS
HB3
1.47
2
4158
150
HIS
HB3
1.47
2
4305
75
HIS
HB3
1.51
2
6721
6
HIS
HB3
1.544
1
5871
31
HIS
HB3
1.59
1
6882
11
HIS
HB3
1.621
2
4267
166
HIS
HB3
1.63
2
7059
57
HIS
HB3
1.646
1
2261
56
HIS
HB3
1.66
1
4343
64
HIS
HB3
1.66
1
5866
79
HIS
HB3
1.68
1
4141
60
HIS
HB3
1.69
2
7053
39
HIS
HB3
1.69
2
5222
57
HIS
HB3
1.71
2
7167
67
HIS
HB3
1.71
2
15431
73
HIS
HB3
1.71
2
4077
87
HIS
HB3
1.71
2
4305
58
HIS
HB3
1.74
2
4980
13
HIS
HB3
1.75
2
4371
11
HIS
HB3
1.765
.
4049
94
HIS
HB3
1.77
2
15306
39
HIS
HB3
1.77
2
443
12
HIS
HB3
1.77
2
385
12
HIS
HB3
1.81
2
4370
13
HIS
HB3
1.81
2
4678
8
HIS
HB3
1.84
.
15281
83
HIS
HB3
1.841
2
6609
54
HIS
HB3
1.854
2
15002
62
HIS
HB3
1.869
.
15300
57
HIS
HB3
1.872
2
15289
57
HIS
HB3
1.877
2
6189
70
HIS
HB3
1.88
1
6682
75
HIS
HB3
1.89
2