ARG HB3 Chemical Shift Outliers

___________________________________________________
ARG HB3 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
11464
1.767
-1.126
3.74
0.296


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
6131
66
ARG
HB3
2.667
1
4497
63
ARG
HB3
2.68
.
4599
63
ARG
HB3
2.68
.
4602
68
ARG
HB3
2.7
2
6782
112
ARG
HB3
2.7
2
6272
45
ARG
HB3
2.73
1
6262
87
ARG
HB3
2.737
2
5269
67
ARG
HB3
2.74
2
4790
82
ARG
HB3
2.75
1
15229
63
ARG
HB3
2.763
.
5130
119
ARG
HB3
2.766
.
4761
10
ARG
HB3
2.77
9
6726
82
ARG
HB3
2.775
2
5653
60
ARG
HB3
2.788
.
5633
60
ARG
HB3
2.788
.
6605
67
ARG
HB3
2.79
.
6142
113
ARG
HB3
2.8
1
6369
132
ARG
HB3
2.82
1
5745
72
ARG
HB3
2.82
2
4115
75
ARG
HB3
2.82
1
10024
19
ARG
HB3
2.82
1
5398
87
ARG
HB3
2.888
1
5668
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
5005
100
ARG
HB3
3.14
1
4143
49
ARG
HB3
3.143
2
6786
18
ARG
HB3
3.149
1
6685
184
ARG
HB3
3.156
2
4421
94
ARG
HB3
3.27
2
1839
48
ARG
HB3
3.28
2
750
145
ARG
HB3
3.29
1
1889
48
ARG
HB3
3.64
2
15438
14
ARG
HB3
3.74
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
6530
16
ARG
HB3
-.059
2
5054
14
ARG
HB3
-.08
2
6054
12
ARG
HB3
-.11
1
15016
26
ARG
HB3
-.12
.
15109
19
ARG
HB3
-.138
2
6189
31
ARG
HB3
-.139
1
6053
12
ARG
HB3
-.18
1
4925
12
ARG
HB3
-.197
2
15153
13
ARG
HB3
-.215
1
6459
13
ARG
HB3
-.215
1
6459
13
ARG
HB3
-.222
1
15153
13
ARG
HB3
-.222
1
4295
50
ARG
HB3
-.25
2
7063
31
ARG
HB3
-.266
2
15159
13
ARG
HB3
-.291
.
15349
41
ARG
HB3
-.308
2
6906
53
ARG
HB3
-.35
9
10026
99
ARG
HB3
-.382
2
6605
12
ARG
HB3
-.43
.
4242
116
ARG
HB3
-.46
2
15718
108
ARG
HB3
-.486
2
1808
38
ARG
HB3
-.61
1
4242
105
ARG
HB3
-.74
1
6601
6
ARG
HB3
-1.126
2
6876
92
ARG
HB3
.036
2
4882
9
ARG
HB3
.1
1
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
15602
126
ARG
HB3
.16
2
4109
97
ARG
HB3
.161
2
6201
96
ARG
HB3
.163
2
1675
50
ARG
HB3
.175
2
6253
174
ARG
HB3
.218
1
4129
25
ARG
HB3
.22
1
4717
47
ARG
HB3
.25
.
2070
72
ARG
HB3
.25
1
5105
36
ARG
HB3
.25
2
15442
29
ARG
HB3
.257
2
4333
52
ARG
HB3
.258
2
6226
55
ARG
HB3
.28
2
5352
129
ARG
HB3
.29
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
4091
117
ARG
HB3
.41
2
5628
103
ARG
HB3
.41
2
60
19
ARG
HB3
.41
2
5482
19
ARG
HB3
.41
2
5381
42
ARG
HB3
.42
1
6175
28
ARG
HB3
.426
1
7242
66
ARG
HB3
.486
2
5669
30
ARG
HB3
.488
1
5165
135
ARG
HB3
.499
1
4786
43
ARG
HB3
.5
2
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
6292
52
ARG
HB3
.57
2
5068
115
ARG
HB3
.57
2
5083
81
ARG
HB3
.57
2
5804
115
ARG
HB3
.57
2
6902
95
ARG
HB3
.57
1
6732
33
ARG
HB3
.578
.
5320
78
ARG
HB3
.58
1
4782
116
ARG
HB3
.58
1
6175
30
ARG
HB3
.584
1
7231
36
ARG
HB3
.585
2
4943
114
ARG
HB3
.6
2
5876
29
ARG
HB3
.603
1
4301
111
ARG
HB3
.61
1
6367
48
ARG
HB3
.61
2
15012
98
ARG
HB3
.615
2
4943
114
ARG
HB3
.62
2
4259
65
ARG
HB3
.62
1
4165
24
ARG
HB3
.62
2
2219
28
ARG
HB3
.63
2
15718
104
ARG
HB3
.646
1
1037
53
ARG
HB3
.65
1
5467
80
ARG
HB3
.653
2
5850
52
ARG
HB3
.657
2
6604
62
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
6963
53
ARG
HB3
.678
1
6799
16
ARG
HB3
.68
2
6963
53
ARG
HB3
.681
1
15718
102
ARG
HB3
.685
2
5862
37
ARG
HB3
.69
1
6594
37
ARG
HB3
.7
2
6896
11
ARG
HB3
.708
2
4952
40
ARG
HB3
.71
2
4590
15
ARG
HB3
.71
1
4628
38
ARG
HB3
.713
.
4039
121
ARG
HB3
.72
1
4969
38
ARG
HB3
.73
2
15230
109
ARG
HB3
.734
2
15109
5
ARG
HB3
.735
2
15452
110
ARG
HB3
.74
1
5126
49
ARG
HB3
.75
.
5171
20
ARG
HB3
.75
.
2249
48
ARG
HB3
.76
1
6465
85
ARG
HB3
.762
2
5199
34
ARG
HB3
.77
1
5939
25
ARG
HB3
.771
1
15318
40
ARG
HB3
.775
2
6753
158
ARG
HB3
.78
.
4091
80
ARG
HB3
.78
2
7086
99
ARG
HB3
.78
2
4423
5
ARG
HB3
.79
2
6752
243
ARG
HB3
.79
.
15560
26
ARG
HB3
.79
2
6551
50
ARG
HB3
.796
.
4837
81
ARG
HB3
.8
2
6625
78
ARG
HB3
.808
2
5359
20
ARG
HB3
.81
2
4041
121
ARG
HB3
.81
1
4891
36
ARG
HB3
.811
1
15718
23
ARG
HB3
.816
2
7059
123
ARG
HB3
.816
2
5999
13
ARG
HB3
.816
2
6865
25
ARG
HB3
.817
2
5181
93
ARG
HB3
.818
2
4333
25
ARG
HB3
.819
2
6890
33
ARG
HB3
.82
2
5042
18
ARG
HB3
.82
2
2024
22
ARG
HB3
.84
2
4321
91
ARG
HB3
.84
2
7256
17
ARG
HB3
.84
2
5758
95
ARG
HB3
.841
2
15110
17
ARG
HB3
.849
1
6620
103
ARG
HB3
.849
2
4210
46
ARG
HB3
.85
2
759
47
ARG
HB3
.85
2
5778
15
ARG
HB3
.851
2
15166
79
ARG
HB3
.8543
2
6388
40
ARG
HB3
.86
1
5595
120
ARG
HB3
.86
2
7103
104
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
4571
26
ARG
HB3
.871
2
6658
117
ARG
HB3
.874
2
6198
11
ARG
HB3
.875
2
7367
9
ARG
HB3
0
?
7367
1
ARG
HB3
0
?
7367
11
ARG
HB3
0
?
7367
8
ARG
HB3
0
?
7367
3
ARG
HB3
0
?
7367
5
ARG
HB3
0
?