HIS HA Chemical Shift Outliers

___________________________________________________
HIS HA Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
8998
4.602
1.929
8.9
0.431


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
7261
36
HIS
HA
5.9
1
6014
97
HIS
HA
5.9
1
18826
27
HIS
HA
5.901
1
16361
64
HIS
HA
5.902
1
5490
69
HIS
HA
5.91
1
4671
69
HIS
HA
5.91
1
7020
29
HIS
HA
5.918
1
5561
51
HIS
HA
5.92
1
11081
40
HIS
HA
5.928
1
5552
87
HIS
HA
5.93
1
260
37
HIS
HA
5.93
1
17288
70
HIS
HA
5.937
1
11117
56
HIS
HA
5.94
1
4664
110
HIS
HA
5.94
1
5000
83
HIS
HA
5.95
1
5887
73
HIS
HA
5.95
1
6043
42
HIS
HA
5.95673
1
6454
92
HIS
HA
5.96
1
5505
39
HIS
HA
5.96
1
5305
177
HIS
HA
5.961
1
11156
53
HIS
HA
5.963
1
11153
49
HIS
HA
5.965
1
11516
73
HIS
HA
5.973
1
79
37
HIS
HA
5.98
1
18825
24
HIS
HA
5.985
1
17137
63
HIS
HA
5.99
1
10081
20
HIS
HA
5.991
1
16008
42
HIS
HA
5.992
1
18566
84
HIS
HA
6.006
1
4827
65
HIS
HA
6.01
.
4037
7
HIS
HA
6.01
1
17175
14
HIS
HA
6.01
1
17597
169
HIS
HA
6.02
1
16253
26
HIS
HA
6.03
1
4828
65
HIS
HA
6.03
.
18533
7
HIS
HA
6.03
1
17577
110
HIS
HA
6.04
1
15628
105
HIS
HA
6.046
1
16613
173
HIS
HA
6.048
1
6973
66
HIS
HA
6.05
.
4022
122
HIS
HA
6.05
1
5946
48
HIS
HA
6.067
1
7129
57
HIS
HA
6.073
1
18130
53
HIS
HA
6.076
1
5225
84
HIS
HA
6.09
1
5605
68
HIS
HA
6.13
1
4206
37
HIS
HA
6.14
1
11327
40
HIS
HA
6.147
1
4465
83
HIS
HA
6.15
1
18281
70
HIS
HA
6.19
1
4768
123
HIS
HA
6.19
.
5407
85
HIS
HA
6.194
.
5305
79
HIS
HA
6.202
1
4670
12
HIS
HA
6.22
.
17510
193
HIS
HA
6.246
1
6603
35
HIS
HA
6.26
1
15628
12
HIS
HA
6.332
1
4670
114
HIS
HA
6.35
.
5225
8
HIS
HA
6.35
1
11080
14
HIS
HA
6.41
1
4465
35
HIS
HA
6.43
1
18389
149
HIS
HA
6.49
1
4768
42
HIS
HA
6.52
.
4465
46
HIS
HA
6.72
1
2489
18
HIS
HA
8.9
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
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
11085
106
HIS
HA
2.312
1
16219
64
HIS
HA
2.322
1
5222
57
HIS
HA
2.41
1
7058
112
HIS
HA
2.539
1
5792
61
HIS
HA
2.54
1
1208
61
HIS
HA
2.57
1
1324
61
HIS
HA
2.57
1
4407
123
HIS
HA
2.67
1
7063
52
HIS
HA
2.702
1
10028
42
HIS
HA
2.737
1
6073
78
HIS
HA
2.8
.
4060
181
HIS
HA
2.81
1
4102
145
HIS
HA
2.82
1
18539
36
HIS
HA
2.823
1
5817
25
HIS
HA
2.84
1
17289
79
HIS
HA
2.912
1
2067
102
HIS
HA
2.96
1
17960
140
HIS
HA
2.982
1
17816
18
HIS
HA
2.994
1
4259
85
HIS
HA
3.01
1
5492
85
HIS
HA
3.02
1
16439
52
HIS
HA
3.03
1
7323
46
HIS
HA
3.032
1
19047
149
HIS
HA
3.048
1
5872
118
HIS
HA
3.05
1
19047
149
HIS
HA
3.054
1
15645
54
HIS
HA
3.07
1
16373
17
HIS
HA
3.076
1
4639
56
HIS
HA
3.079
1
5789
24
HIS
HA
3.1
1
19048
149
HIS
HA
3.122
1
19048
149
HIS
HA
3.127
1
18422
69
HIS
HA
3.13
1
19003
22
HIS
HA
3.135
1
5871
31
HIS
HA
3.14
1
15173
59
HIS
HA
3.151
1
2070
102
HIS
HA
3.16
1
5884
6
HIS
HA
3.167
1
2068
102
HIS
HA
3.21
1
10307
25
HIS
HA
3.237
1
10175
25
HIS
HA
3.237
1
975
102
HIS
HA
3.26
1
2066
102
HIS
HA
3.26
1
4768
48
HIS
HA
3.27
.
11386
25
HIS
HA
3.275
1
10190
25
HIS
HA
3.275
1
5099
74
HIS
HA
3.3
1