ARG HB3 Chemical Shift Outliers

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ARG HB3 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
8715
1.772
-.35
3.29
0.275


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
6866
51
ARG
HB3
2.605
2
6262
35
ARG
HB3
2.611
2
15072
41
ARG
HB3
2.62
2
4084
14
ARG
HB3
2.62
1
6147
112
ARG
HB3
2.639
1
4497
63
ARG
HB3
2.68
.
4599
63
ARG
HB3
2.68
.
6272
45
ARG
HB3
2.73
1
6262
87
ARG
HB3
2.737
2
4790
82
ARG
HB3
2.75
1
15229
63
ARG
HB3
2.763
.
6726
82
ARG
HB3
2.775
2
5633
60
ARG
HB3
2.788
.
5653
60
ARG
HB3
2.788
.
10024
19
ARG
HB3
2.82
1
5668
87
ARG
HB3
2.888
1
5398
87
ARG
HB3
2.888
1
6826
24
ARG
HB3
2.891
2
6315
81
ARG
HB3
2.9
2
5312
38
ARG
HB3
2.96
2
6262
71
ARG
HB3
2.965
2
4300
150
ARG
HB3
2.99
2
4317
19
ARG
HB3
2.99
2
6250
87
ARG
HB3
3
1
4299
150
ARG
HB3
3.02
2
7287
109
ARG
HB3
3.026
1
7124
4
ARG
HB3
3.104
1
4143
49
ARG
HB3
3.143
2
6786
18
ARG
HB3
3.149
1
750
145
ARG
HB3
3.29
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
4109
97
ARG
HB3
-.004
2
15016
26
ARG
HB3
-.12
.
6189
31
ARG
HB3
-.139
1
6053
12
ARG
HB3
-.18
1
4925
12
ARG
HB3
-.197
2
7063
31
ARG
HB3
-.266
2
6906
53
ARG
HB3
-.35
9
6876
92
ARG
HB3
.036
2
5628
52
ARG
HB3
.1
2
5778
41
ARG
HB3
.112
2
4109
97
ARG
HB3
.118
2
6113
50
ARG
HB3
.123
1
6201
96
ARG
HB3
.159
2
4109
97
ARG
HB3
.161
2
6201
96
ARG
HB3
.163
2
1675
50
ARG
HB3
.175
2
2070
72
ARG
HB3
.25
1
5105
36
ARG
HB3
.25
2
4333
52
ARG
HB3
.258
2
6226
55
ARG
HB3
.28
2
4782
115
ARG
HB3
.29
1
6658
136
ARG
HB3
.296
2
6221
79
ARG
HB3
.303
4
975
72
ARG
HB3
.32
2
2071
72
ARG
HB3
.34
1
5009
99
ARG
HB3
.363
.
6176
74
ARG
HB3
.37
2
5359
42
ARG
HB3
.37
2
6936
40
ARG
HB3
.383
2
15611
78
ARG
HB3
.389
2
5628
103
ARG
HB3
.41
2
5482
19
ARG
HB3
.41
2
60
19
ARG
HB3
.41
2
4091
117
ARG
HB3
.41
2
5381
42
ARG
HB3
.42
1
7242
66
ARG
HB3
.486
2
5669
30
ARG
HB3
.488
1
5165
135
ARG
HB3
.499
1
5107
46
ARG
HB3
.508
2
15369
84
ARG
HB3
.509
2
5107
50
ARG
HB3
.551
2
15059
65
ARG
HB3
.556
2
15652
89
ARG
HB3
.56
2
5803
115
ARG
HB3
.57
2
5804
115
ARG
HB3
.57
2
6292
52
ARG
HB3
.57
2
5068
115
ARG
HB3
.57
2
6902
95
ARG
HB3
.57
1
4782
116
ARG
HB3
.58
1
7231
36
ARG
HB3
.585
2
4943
114
ARG
HB3
.6
2
6367
48
ARG
HB3
.61
2
4943
114
ARG
HB3
.62
2
4165
24
ARG
HB3
.62
2
4259
65
ARG
HB3
.62
1
1037
53
ARG
HB3
.65
1
6604
62
ARG
HB3
.657
2
5850
52
ARG
HB3
.657
2
6415
115
ARG
HB3
.66
2
4935
65
ARG
HB3
.66
2
1198
19
ARG
HB3
.67
2
613
36
ARG
HB3
.675
1
6799
16
ARG
HB3
.68
2
5862
37
ARG
HB3
.69
1
6594
37
ARG
HB3
.7
2
4952
40
ARG
HB3
.71
2
4628
38
ARG
HB3
.713
.
4969
38
ARG
HB3
.73
2
15452
110
ARG
HB3
.74
1
5171
20
ARG
HB3
.75
.
2249
48
ARG
HB3
.76
1
6465
85
ARG
HB3
.762
2
5199
34
ARG
HB3
.77
1
4091
80
ARG
HB3
.78
2
6753
158
ARG
HB3
.78
.
7086
99
ARG
HB3
.78
2
6752
243
ARG
HB3
.79
.
4423
5
ARG
HB3
.79
2
6551
50
ARG
HB3
.796
.
5359
20
ARG
HB3
.81
2
4891
36
ARG
HB3
.811
1
7059
123
ARG
HB3
.816
2
5999
13
ARG
HB3
.816
2
4333
25
ARG
HB3
.819
2
5042
18
ARG
HB3
.82
2
6890
33
ARG
HB3
.82
2
4321
91
ARG
HB3
.84
2
2024
22
ARG
HB3
.84
2
7256
17
ARG
HB3
.84
2
5758
95
ARG
HB3
.841
2
6620
103
ARG
HB3
.849
2
15110
17
ARG
HB3
.849
1
4210
46
ARG
HB3
.85
2
5778
15
ARG
HB3
.851
2
7103
104
ARG
HB3
.86
2
5595
120
ARG
HB3
.86
2
6869
23
ARG
HB3
.86
1
4974
48
ARG
HB3
.861
2
5998
6
ARG
HB3
.87
2
6242
77
ARG
HB3
.87
2
6658
117
ARG
HB3
.874
2
6198
11
ARG
HB3
.875
2
4798
45
ARG
HB3
.88
2
6904
57
ARG
HB3
.88
2
4639
52
ARG
HB3
.883
1
7085
68
ARG
HB3
.887
2
6727
35
ARG
HB3
.888
2
6578
60
ARG
HB3
.9
2
2049
43
ARG
HB3
.902
2
5058
17
ARG
HB3
.908
2
15115
16
ARG
HB3
.908
.
6536
68
ARG
HB3
.909
2
2169
42
ARG
HB3
.91
2
15020
123
ARG
HB3
.91
1
5981
65
ARG
HB3
.911
2
4371
16
ARG
HB3
.919
.
15468
57
ARG
HB3
.92
2
4084
55
ARG
HB3
.93
2
6794
89
ARG
HB3
.93
2
6448
70
ARG
HB3
.932
2
15608
62
ARG
HB3
.945
2