HIS HA Chemical Shift Outliers

___________________________________________________
HIS HA Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
16845
4.616
.676
11.38
0.565


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
25477
31
HIS
HA
10.231
1
17903
76
HIS
HA
10.271
.
16443
52
HIS
HA
10.323
1
5279
66
HIS
HA
10.33
.
5172
15
HIS
HA
10.34
1
25477
69
HIS
HA
10.514
1
5466
10
HIS
HA
10.8
.
6634
52
HIS
HA
10.81
1
5625
52
HIS
HA
10.85
1
4837
95
HIS
HA
11.24
1
4837
53
HIS
HA
11.38
1
11588
13
HIS
HA
6.324
1
18388
149
HIS
HA
6.324
1
15628
12
HIS
HA
6.332
1
5225
8
HIS
HA
6.35
1
4670
114
HIS
HA
6.35
.
16273
55
HIS
HA
6.377
.
4267
119
HIS
HA
6.4
1
11080
14
HIS
HA
6.41
1
18864
14
HIS
HA
6.41
1
16306
69
HIS
HA
6.42
1
4465
35
HIS
HA
6.43
1
18615
69
HIS
HA
6.48
1
18389
149
HIS
HA
6.49
1
18801
10
HIS
HA
6.491
.
6601
9
HIS
HA
6.494
1
4768
42
HIS
HA
6.52
.
16443
69
HIS
HA
6.554
1
4435
87
HIS
HA
6.62
1
18919
44
HIS
HA
6.623
.
4435
38
HIS
HA
6.65
1
18636
49
HIS
HA
6.662
1
6634
83
HIS
HA
6.7
1
4465
46
HIS
HA
6.72
1
5625
83
HIS
HA
6.73
1
18424
69
HIS
HA
6.74
1
5269
70
HIS
HA
6.75
1
6131
37
HIS
HA
6.757
1
4602
39
HIS
HA
6.81
1
19819
96
HIS
HA
6.896
1
5239
67
HIS
HA
6.9
1
6634
70
HIS
HA
6.9
1
19818
96
HIS
HA
6.919
1
5625
70
HIS
HA
6.92
1
2038
177
HIS
HA
6.93
1
6634
34
HIS
HA
7.05
1
5625
34
HIS
HA
7.14
1
5802
69
HIS
HA
7.19
1
1413
93
HIS
HA
7.3
1
1207
61
HIS
HA
7.37
1
5745
67
HIS
HA
7.37
1
1752
93
HIS
HA
7.4
1
4435
29
HIS
HA
7.42
1
6131
61
HIS
HA
7.437
1
5625
25
HIS
HA
7.44
1
6634
25
HIS
HA
7.45
1
16307
69
HIS
HA
7.5
1
292
93
HIS
HA
7.51
1
4602
63
HIS
HA
7.54
1
16443
34
HIS
HA
7.555
1
19818
96
HIS
HA
7.605
1
6230
92
HIS
HA
7.62
1
6230
92
HIS
HA
7.64
1
5269
46
HIS
HA
7.7
1
19818
64
HIS
HA
7.717
1
16443
25
HIS
HA
7.802
1
5809
87
HIS
HA
7.83
1
4744
20
HIS
HA
7.842
.
5809
87
HIS
HA
7.87
1
25477
20
HIS
HA
7.924
1
5279
20
HIS
HA
7.949
.
19818
64
HIS
HA
7.956
1
16307
45
HIS
HA
7.99
1
1734
16
HIS
HA
8.14
1
18578
96
HIS
HA
8.21
1
25477
47
HIS
HA
8.274
1
4744
45
HIS
HA
8.317
.
25477
17
HIS
HA
8.377
1
4435
39
HIS
HA
8.42
1
1839
175
HIS
HA
8.48
1
5279
45
HIS
HA
8.49
.
17903
23
HIS
HA
8.523
.
25477
55
HIS
HA
8.557
1
4744
17
HIS
HA
8.56
.
1736
18
HIS
HA
8.56
1
6634
106
HIS
HA
8.65
1
5625
106
HIS
HA
8.66
1
4435
26
HIS
HA
8.67
1
1841
175
HIS
HA
8.7
1
5279
17
HIS
HA
8.707
.
500
19
HIS
HA
8.79
1
330
23
HIS
HA
8.82
1
1192
22
HIS
HA
8.82
1
1194
23
HIS
HA
8.82
1
19638
23
HIS
HA
8.844
.
6634
22
HIS
HA
8.85
1
5625
22
HIS
HA
8.86
1
923
23
HIS
HA
8.87
1
346
23
HIS
HA
8.87
1
1171
18
HIS
HA
8.88
1
16443
35
HIS
HA
8.893
1
2489
27
HIS
HA
8.9
1
5239
25
HIS
HA
8.9
1
499
18
HIS
HA
8.9
1
17144
18
HIS
HA
8.97
1
332
23
HIS
HA
8.98
1
16443
106
HIS
HA
8.987
1
331
23
HIS
HA
8.99
1
2488
27
HIS
HA
9
1
6634
35
HIS
HA
9.02
1
1719
23
HIS
HA
9.02
1
25908
18
HIS
HA
9.087
.
1751
89
HIS
HA
9.1
1
5625
35
HIS
HA
9.1
1
274
18
HIS
HA
9.16
1
1808
170
HIS
HA
9.34
1
16306
45
HIS
HA
9.41
1
4777
18
HIS
HA
9.45
1
16443
22
HIS
HA
9.486
1
16443
83
HIS
HA
9.571
1
4435
55
HIS
HA
9.61
1
4744
30
HIS
HA
9.636
.
5026
18
HIS
HA
9.65
.
4435
110
HIS
HA
9.69
1
5279
30
HIS
HA
9.728
.


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
5081
82
HIS
HA
.676
1
25874
17
HIS
HA
.817
1
16842
17
HIS
HA
.927
1
27363
17
HIS
HA
1.06
1
16173
74
HIS
HA
1.234
1
19985
18
HIS
HA
1.302
1
16674
22
HIS
HA
1.36
1
5333
22
HIS
HA
1.46
1
4291
22
HIS
HA
1.49
1
4436
26
HIS
HA
1.54
1
15765
49
HIS
HA
1.562
1
18787
17
HIS
HA
1.649
1
10015
16
HIS
HA
1.929
1
4619
16
HIS
HA
1.954
.
11333
43
HIS
HA
1.966
1
15700
44
HIS
HA
1.983
1
19607
66
HIS
HA
2.083
1
4038
90
HIS
HA
2.19
1
5333
34
HIS
HA
2.22
1
4291
34
HIS
HA
2.227
1
16674
34
HIS
HA
2.242
1
11085
106
HIS
HA
2.312
1
16219
64
HIS
HA
2.322
1
5239
106
HIS
HA
2.35
1
5304
18
HIS
HA
2.39
1
5222
57
HIS
HA
2.41
1
19217
41
HIS
HA
2.445
.
6966
17
HIS
HA
2.45
1
27363
20
HIS
HA
2.457
1
295
37
HIS
HA
2.46
1
294
37
HIS
HA
2.46
1
4130
39
HIS
HA
2.47
.
4809
37
HIS
HA
2.47
1
4808
37
HIS
HA
2.47
1
4804
37
HIS
HA
2.47
1
4436
73
HIS
HA
2.48
1
4960
61
HIS
HA
2.48
1
5091
39
HIS
HA
2.48
1
25874
20
HIS
HA
2.492
1
4131
39
HIS
HA
2.5
.
16842
20
HIS
HA
2.503
1
4803
37
HIS
HA
2.51
1
19985
70
HIS
HA
2.525
1
7058
112
HIS
HA
2.539
1
5792
61
HIS
HA
2.54
1
16674
69
HIS
HA
2.542
1
4062
94
HIS
HA
2.55
1
1208
61
HIS
HA
2.57
1
294
61
HIS
HA
2.57
1
1324
61
HIS
HA
2.57
1
25993
97
HIS
HA
2.572
1
18787
20
HIS
HA
2.573
1
27363
47
HIS
HA
2.576
1
5597
15
HIS
HA
2.58
1
4131
63
HIS
HA
2.58
.
4130
63
HIS
HA
2.59
.
4436
38
HIS
HA
2.59
1
4808
61
HIS
HA
2.6
1
4743
20
HIS
HA
2.6
1
4804
61
HIS
HA
2.6
1
4809
61
HIS
HA
2.6
1
4803
61
HIS
HA
2.6
1
295
61
HIS
HA
2.6
1
4761
122
HIS
HA
2.61
1
7125
92
HIS
HA
2.627
1
3442
87
HIS
HA
2.64
1
4743
45
HIS
HA
2.66
1
2868
87
HIS
HA
2.67
1
4407
123
HIS
HA
2.67
1
4436
87
HIS
HA
2.68
1
34008
10
HIS
HA
2.687
1
7063
52
HIS
HA
2.702
1
25874
47
HIS
HA
2.717
1
10028
42
HIS
HA
2.737
1
4743
66
HIS
HA
2.74
1
25874
69
HIS
HA
2.74
1
5333
83
HIS
HA
2.75
1
5333
70
HIS
HA
2.75
1
18787
69
HIS
HA
2.758
1
4291
70
HIS
HA
2.76
1
16842
47
HIS
HA
2.763
1
15765
52
HIS
HA
2.763
1
27363
68
HIS
HA
2.769
1
16842
69
HIS
HA
2.77
1
15765
9
HIS
HA
2.781
1
18787
47
HIS
HA
2.787
1
19985
49
HIS
HA
2.788
1
16674
83
HIS
HA
2.788
1
6073
78
HIS
HA
2.8
.
5091
63
HIS
HA
2.81
1
4060
181
HIS
HA
2.81
1
4291
83
HIS
HA
2.818
1
4102
145
HIS
HA
2.82
1
18539
36
HIS
HA
2.823
1
5817
25
HIS
HA
2.84
1
4202
71
HIS
HA
2.88
1
19985
21
HIS
HA
2.907
1
17289
79
HIS
HA
2.912
1