HIS H Chemical Shift Outliers

___________________________________________________
HIS H Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
22824
8.258
-.3
13.34
0.733


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
16464
150
HIS
H
10.46
1
16307
69
HIS
H
10.46
1
16940
79
HIS
H
10.46
1
6823
160
HIS
H
10.467
1
19643
31
HIS
H
10.469
1
4049
82
HIS
H
10.47
1
5239
67
HIS
H
10.47
1
10134
14
HIS
H
10.476
1
15680
18
HIS
H
10.487
1
7194
16
HIS
H
10.495
1
18345
8
HIS
H
10.5
1
6634
34
HIS
H
10.5
1
4777
29
HIS
H
10.52
1
6940
34
HIS
H
10.525
1
26851
154
HIS
H
10.532
1
5396
64
HIS
H
10.536
1
7138
63
HIS
H
10.54
.
17362
88
HIS
H
10.56
1
27859
107
HIS
H
10.56
.
4435
38
HIS
H
10.57
1
6572
34
HIS
H
10.58
1
2208
92
HIS
H
10.58
1
36075
25
HIS
H
10.58
1
19818
64
HIS
H
10.582
1
17311
64
HIS
H
10.585
1
18477
164
HIS
H
10.59
1
11424
78
HIS
H
10.591
1
17903
23
HIS
H
10.592
.
19818
64
HIS
H
10.61
1
17226
81
HIS
H
10.614
1
4955
5
HIS
H
10.615
1
5625
34
HIS
H
10.63
1
5352
60
HIS
H
10.63
.
16307
45
HIS
H
10.64
1
16146
4
HIS
H
10.641
1
27022
170
HIS
H
10.658
1
19432
104
HIS
H
10.6589
1
16307
45
HIS
H
10.67
1
12014
102
HIS
H
10.6768
1
6634
67
HIS
H
10.68
1
5802
69
HIS
H
10.68
1
18032
28
HIS
H
10.68
1
16805
28
HIS
H
10.68
1
18263
28
HIS
H
10.68
1
27159
102
HIS
H
10.689
1
5625
67
HIS
H
10.69
1
30475
8
HIS
H
10.692
1
11575
83
HIS
H
10.697
1
7115
37
HIS
H
10.7
1
25502
92
HIS
H
10.706
.
5269
46
HIS
H
10.71
1
27265
92
HIS
H
10.72
1
6369
48
HIS
H
10.72
1
17886
28
HIS
H
10.723
1
26578
18
HIS
H
10.728
1
25337
92
HIS
H
10.728
1
5712
37
HIS
H
10.73
1
27620
94
HIS
H
10.73
1
26788
209
HIS
H
10.735
1
25104
92
HIS
H
10.736
.
18312
95
HIS
H
10.74
1
6843
8
HIS
H
10.75
1
17847
18
HIS
H
10.77
1
17586
92
HIS
H
10.774
1
17847
18
HIS
H
10.78
1
1171
18
HIS
H
10.78
1
17660
216
HIS
H
10.8
1
4022
107
HIS
H
10.8
1
19079
8
HIS
H
10.809
.
25908
18
HIS
H
10.831
.
18782
35
HIS
H
10.847
1
18588
45
HIS
H
10.85
1
19819
96
HIS
H
10.859
1
6141
92
HIS
H
10.873
1
7310
92
HIS
H
10.878
1
5830
18
HIS
H
10.88
1
18628
82
HIS
H
10.893
1
5026
18
HIS
H
10.93
.
5828
18
HIS
H
10.94
1
25336
84
HIS
H
10.945
1
25422
18
HIS
H
10.954
1
6344
134
HIS
H
10.96
1
25340
93
HIS
H
10.963
1
6921
67
HIS
H
10.967
1
25832
110
HIS
H
10.969
1
6365
51
HIS
H
10.98
1
17845
23
HIS
H
10.99
1
25150
83
HIS
H
10.996
.
16443
34
HIS
H
10.999
1
274
18
HIS
H
11
1
17845
23
HIS
H
11
1
16443
69
HIS
H
11.004
1
346
23
HIS
H
11.02
1
923
23
HIS
H
11.02
1
1719
23
HIS
H
11.02
1
16443
25
HIS
H
11.027
1
5019
98
HIS
H
11.03
1
6572
67
HIS
H
11.03
1
16306
45
HIS
H
11.04
1
17236
18
HIS
H
11.07
1
19638
23
HIS
H
11.098
.
7000
25
HIS
H
11.11
1
1207
61
HIS
H
11.13
1
15301
23
HIS
H
11.219
1
4435
39
HIS
H
11.22
1
6983
146
HIS
H
11.22
1
17144
18
HIS
H
11.23
1
19818
96
HIS
H
11.23
1
6987
146
HIS
H
11.25
1
17903
76
HIS
H
11.262
.
4806
61
HIS
H
11.28
1
25834
43
HIS
H
11.289
1
19819
96
HIS
H
11.304
1
18741
190
HIS
H
11.344
1
5745
67
HIS
H
11.36
1
26885
76
HIS
H
11.37
.
7360
57
HIS
H
11.389
1
7359
57
HIS
H
11.389
1
4807
61
HIS
H
11.4
1
5466
10
HIS
H
11.4
.
18919
68
HIS
H
11.404
.
4744
45
HIS
H
11.412
.
11175
89
HIS
H
11.428
1
5005
27
HIS
H
11.44
1
4805
61
HIS
H
11.44
1
4810
61
HIS
H
11.44
1
4602
63
HIS
H
11.45
1
5239
25
HIS
H
11.48
1
27082
161
HIS
H
11.49
.
4744
17
HIS
H
11.517
.
5279
45
HIS
H
11.522
.
2038
177
HIS
H
11.57
1
25887
15
HIS
H
11.587
1
6634
35
HIS
H
11.59
1
26962
206
HIS
H
11.593
.
5279
17
HIS
H
11.596
.
25477
17
HIS
H
11.607
1
19818
96
HIS
H
11.614
1
25477
69
HIS
H
11.614
1
4744
30
HIS
H
11.649
.
6131
61
HIS
H
11.652
1
4435
26
HIS
H
11.67
1
25477
47
HIS
H
11.691
1
16443
22
HIS
H
11.707
1
5625
35
HIS
H
11.72
1
5279
30
HIS
H
11.722
.
4777
18
HIS
H
11.74
1
17009
52
HIS
H
11.815
1
6572
22
HIS
H
11.86
1
6634
22
HIS
H
11.86
1
5625
22
HIS
H
11.89
1
26700
26
HIS
H
11.904
1
25477
31
HIS
H
11.948
1
6572
83
HIS
H
11.97
1
1808
170
HIS
H
11.98
1
16969
26
HIS
H
11.989
1
4744
20
HIS
H
12.046
.
25477
20
HIS
H
12.109
1
5279
20
HIS
H
12.167
.
6572
52
HIS
H
12.22
1
4837
95
HIS
H
12.26
1
16443
52
HIS
H
12.348
1
16443
35
HIS
H
12.377
1
10029
74
HIS
H
12.392
1
4435
55
HIS
H
12.44
1
5625
52
HIS
H
12.61
1
6634
52
HIS
H
12.61
1
1889
175
HIS
H
12.8
1
1841
175
HIS
H
12.8
1
4837
53
HIS
H
12.81
1
1839
175
HIS
H
12.9
1
5172
15
HIS
H
13.01
1
5809
87
HIS
H
13.08
1
5809
87
HIS
H
13.18
1
292
93
HIS
H
13.2
1
6230
92
HIS
H
13.24
1
6230
92
HIS
H
13.34
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
5864
3
HIS
H
-.3
.
7016
32
HIS
H
.02
.
15685
6
HIS
H
1
1
18601
153
HIS
H
1.596
1
17816
19
HIS
H
3.97
1
16674
35
HIS
H
4.226
1
5333
35
HIS
H
4.45
1
4291
35
HIS
H
4.477
1
4127
20
HIS
H
4.6
1
17747
129
HIS
H
5.122
1
26060
59
HIS
H
5.16
1
26059
59
HIS
H
5.16
1
4364
122
HIS
H
5.23
1
15396
124
HIS
H
5.24
.
15395
124
HIS
H
5.241
.
15120
124
HIS
H
5.29
.
18990
49
HIS
H
5.291
1
4173
129
HIS
H
5.3
1
18787
55
HIS
H
5.393
1
25874
55
HIS
H
5.404
1
16842
55
HIS
H
5.405
1
6249
180
HIS
H
5.41
1
26886
76
HIS
H
5.44
.
18422
69
HIS
H
5.48
1
4102
84
HIS
H
5.53
1
17947
69
HIS
H
5.69
1
17947
69
HIS
H
5.69
1
4743
53
HIS
H
5.75
1
30375
242
HIS
H
5.783
.
4102
145
HIS
H
5.79
1
5333
106
HIS
H
5.8
1
4436
29
HIS
H
5.81
1
11315
64
HIS
H
5.818
1
4049
80
HIS
H
5.82
1
6966
17
HIS
H
5.83
1
4436
73
HIS
H
5.84
1
4291
70
HIS
H
5.85
1
19985
21
HIS
H
5.868
1
15736
154
HIS
H
5.883
1
5333
25
HIS
H
5.89
1
18749
51
HIS
H
5.89
1
4291
25
HIS
H
5.896
1
4131
39
HIS
H
5.91
.
19147
53
HIS
H
5.918
1
25761
102
HIS
H
5.928
.
27080
20
HIS
H
5.929
1
4444
119
HIS
H
5.93
.
4342
89
HIS
H
5.94
1
6012
64
HIS
H
5.94
1
19985
56
HIS
H
5.942
1
15235
90
HIS
H
5.949
1
15233
90
HIS
H
5.958
1
4131
63
HIS
H
5.96
.
4291
106
HIS
H
5.975
1
4803
37
HIS
H
6
1
6974
57
HIS
H
6.002
.
6973
57
HIS
H
6.01
.
7319
51
HIS
H
6.01
1
294
37
HIS
H
6.01
1
4130
39
HIS
H
6.01
.
16390
86
HIS
H
6.02
1
5147
54
HIS
H
6.02
1
4130
63
HIS
H
6.02
.
6238
42
HIS
H
6.028
1
18267
51
HIS
H
6.032
1
10042
76
HIS
H
6.032
1
295
37
HIS
H
6.04
1
1208
37
HIS
H
6.05
1
5019
46
HIS
H
6.056
1