ARG HB2 Chemical Shift Outliers

___________________________________________________
ARG HB2 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
13493
1.794
-4.78
4.765
0.293


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
5269
67
ARG
HB2
2.68
2
4973
13
ARG
HB2
2.68
2
7182
39
ARG
HB2
2.692
.
6826
23
ARG
HB2
2.697
2
6563
16
ARG
HB2
2.704
2
4886
120
ARG
HB2
2.72
2
6806
35
ARG
HB2
2.72
2
5684
26
ARG
HB2
2.73
2
6377
110
ARG
HB2
2.73
2
6272
45
ARG
HB2
2.73
1
6147
112
ARG
HB2
2.733
1
6826
24
ARG
HB2
2.734
2
5709
41
ARG
HB2
2.74
1
6075
16
ARG
HB2
2.74
1
4881
120
ARG
HB2
2.74
2
5946
96
ARG
HB2
2.771
2
6465
128
ARG
HB2
2.773
2
7170
89
ARG
HB2
2.804
2
10024
19
ARG
HB2
2.82
1
4317
19
ARG
HB2
2.82
2
6405
36
ARG
HB2
2.825
2
4300
150
ARG
HB2
2.85
2
4147
27
ARG
HB2
2.858
2
4378
151
ARG
HB2
2.86
2
4761
10
ARG
HB2
2.87
9
4299
150
ARG
HB2
2.88
2
5398
87
ARG
HB2
2.888
1
5668
87
ARG
HB2
2.888
1
6142
113
ARG
HB2
2.91
1
4602
68
ARG
HB2
2.93
2
5130
119
ARG
HB2
2.936
.
15835
46
ARG
HB2
2.959
1
4597
19
ARG
HB2
2.97
4
4681
81
ARG
HB2
2.97
.
4143
49
ARG
HB2
2.994
2
6250
87
ARG
HB2
3
1
6213
25
ARG
HB2
3.006
2
1889
48
ARG
HB2
3.01
2
2999
28
ARG
HB2
3.01
2
7287
109
ARG
HB2
3.026
1
7124
4
ARG
HB2
3.104
1
5745
72
ARG
HB2
3.12
2
5005
100
ARG
HB2
3.14
1
6786
18
ARG
HB2
3.149
1
6314
62
ARG
HB2
3.162
2
5343
91
ARG
HB2
3.22
2
750
145
ARG
HB2
3.29
1
6685
184
ARG
HB2
3.354
2
6142
56
ARG
HB2
3.41
1
15438
14
ARG
HB2
3.74
1
1839
48
ARG
HB2
3.99
2
4106
186
ARG
HB2
4.5925
.
6685
211
ARG
HB2
4.765
2


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
4011
88
ARG
HB2
-.06
1
7009
34
ARG
HB2
-.094
.
4717
47
ARG
HB2
-.2
.
5876
29
ARG
HB2
-.239
1
15718
108
ARG
HB2
-.307
2
1037
53
ARG
HB2
-.38
1
6375
8
ARG
HB2
-.422
2
6936
40
ARG
HB2
-.447
2
15442
29
ARG
HB2
-.464
2
15134
47
ARG
HB2
-.76
2
6963
53
ARG
HB2
-.769
1
10104
112
ARG
HB2
-.772
2
6963
53
ARG
HB2
-.773
1
1808
38
ARG
HB2
-4.78
1
15466
15
ARG
HB2
.01
2
15003
14
ARG
HB2
.01
2
4045
87
ARG
HB2
.05
2
1439
42
ARG
HB2
.055
1
15242
135
ARG
HB2
.058
.
15139
78
ARG
HB2
.06
2
5361
54
ARG
HB2
.08
1
6041
5
ARG
HB2
.09
.
4882
9
ARG
HB2
.1
1
5248
14
ARG
HB2
.11
.
4045
30
ARG
HB2
.12
2
1198
19
ARG
HB2
.12
2
2049
43
ARG
HB2
.154
2
60
19
ARG
HB2
.17
2
4891
36
ARG
HB2
.177
1
7266
49
ARG
HB2
.19
2
6658
117
ARG
HB2
.205
2
6344
115
ARG
HB2
.22
2
6041
5
ARG
HB2
.222
.
2169
42
ARG
HB2
.23
4
4964
72
ARG
HB2
.24
1
5850
52
ARG
HB2
.24
2
2070
72
ARG
HB2
.25
1
10114
44
ARG
HB2
.259
2
4868
42
ARG
HB2
.27
2
15369
107
ARG
HB2
.278
2
6434
46
ARG
HB2
.287
2
4782
115
ARG
HB2
.29
1
6957
10
ARG
HB2
.295
2
6605
12
ARG
HB2
.33
.
5171
42
ARG
HB2
.33
.
2071
72
ARG
HB2
.34
1
48
42
ARG
HB2
.36
2
5199
34
ARG
HB2
.37
1
6625
78
ARG
HB2
.378
2
6963
25
ARG
HB2
.39
1
6963
25
ARG
HB2
.397
1
15593
94
ARG
HB2
.412
2
4165
24
ARG
HB2
.42
2
4295
50
ARG
HB2
.43
2
5758
95
ARG
HB2
.434
2
6467
24
ARG
HB2
.468
.
6620
103
ARG
HB2
.474
2
15139
107
ARG
HB2
.48
2
15140
24
ARG
HB2
.49
1
6365
122
ARG
HB2
.49
2
49
42
ARG
HB2
.49
2
6615
48
ARG
HB2
.49
2
15369
84
ARG
HB2
.509
2
4423
5
ARG
HB2
.52
2
10035
123
ARG
HB2
.521
2
7063
31
ARG
HB2
.522
2
45
42
ARG
HB2
.53
2
4925
12
ARG
HB2
.531
2
4968
42
ARG
HB2
.538
2
7256
17
ARG
HB2
.54
2
15230
109
ARG
HB2
.545
2
6620
34
ARG
HB2
.549
2
4590
15
ARG
HB2
.55
1
15718
102
ARG
HB2
.553
2
15553
8
ARG
HB2
.56
1
6053
12
ARG
HB2
.56
1
6221
79
ARG
HB2
.565
4
6902
95
ARG
HB2
.57
1
4782
116
ARG
HB2
.58
1
7107
81
ARG
HB2
.584
2
6054
12
ARG
HB2
.6
1
4963
19
ARG
HB2
.6
1
4786
43
ARG
HB2
.6
2
5038
6
ARG
HB2
.6
2
7203
54
ARG
HB2
.611
.
10067
22
ARG
HB2
.611
2
6865
25
ARG
HB2
.619
2
5038
140
ARG
HB2
.64
1
4898
46
ARG
HB2
.64
2
4579
46
ARG
HB2
.64
2
15718
104
ARG
HB2
.645
1
5075
71
ARG
HB2
.65
2
7242
66
ARG
HB2
.651
2
6503
62
ARG
HB2
.654
2
6368
16
ARG
HB2
.66
1
4562
114
ARG
HB2
.66
2
2219
28
ARG
HB2
.66
2
5352
129
ARG
HB2
.67
2
613
36
ARG
HB2
.675
1
5009
99
ARG
HB2
.68
.
4969
38
ARG
HB2
.68
2
6536
68
ARG
HB2
.684
2
6906
53
ARG
HB2
.705
9
15718
23
ARG
HB2
.715
2
6189
31
ARG
HB2
.719
1
4791
123
ARG
HB2
.72
2
4301
40
ARG
HB2
.72
2
5099
37
ARG
HB2
.73
2
7032
64
ARG
HB2
.73
2
4242
116
ARG
HB2
.73
2
6601
6
ARG
HB2
.735
2
5628
52
ARG
HB2
.74
2
15823
84
ARG
HB2
.74
2
15509
5
ARG
HB2
.74
2
7231
36
ARG
HB2
.753
2
4855
20
ARG
HB2
.76
2
6876
92
ARG
HB2
.76
2
1394
77
ARG
HB2
.76
2
2249
48
ARG
HB2
.76
1
329
77
ARG
HB2
.76
2
7008
35
ARG
HB2
.769
.
6367
48
ARG
HB2
.77
2
6514
49
ARG
HB2
.77
2
5939
25
ARG
HB2
.771
1
6658
136
ARG
HB2
.775
2
2169
20
ARG
HB2
.78
2
5375
42
ARG
HB2
.78
2
4706
109
ARG
HB2
.78
2
7061
54
ARG
HB2
.78
.
4628
38
ARG
HB2
.781
.
5317
53
ARG
HB2
.79
1
6343
103
ARG
HB2
.79
2
4868
20
ARG
HB2
.8
2
6539
68
ARG
HB2
.802
2
15059
65
ARG
HB2
.805
2
6869
100
ARG
HB2
.81
1
5126
49
ARG
HB2
.81
.
4797
53
ARG
HB2
.81
2
7204
124
ARG
HB2
.817
2
4577
52
ARG
HB2
.82
2
11017
12
ARG
HB2
.82
2
6506
22
ARG
HB2
.822
2
49
20
ARG
HB2
.83
2
48
20
ARG
HB2
.83
2
5107
46
ARG
HB2
.835
2
4360
131
ARG
HB2
.84
2
4935
65
ARG
HB2
.84
2
4039
121
ARG
HB2
.84
1
5041
35
ARG
HB2
.847
1
15110
17
ARG
HB2
.849
1
6292
52
ARG
HB2
.85
2
6253
174
ARG
HB2
.854
1
45
20
ARG
HB2
.86
2
6793
102
ARG
HB2
.87
2
5381
20
ARG
HB2
.87
1
4041
121
ARG
HB2
.88
1
4577
17
ARG
HB2
.88
2
5778
41
ARG
HB2
.881
2
4639
52
ARG
HB2
.883
1
4225
16
ARG
HB2
.89
1
15007
21
ARG
HB2
.89
2
1037
25
ARG
HB2
.89
1
15063
200
ARG
HB2
.891
2
6517
20
ARG
HB2
.9
2
5042
18
ARG
HB2
.9
2
15802
77
ARG
HB2
.9
2
6044
90
ARG
HB2
.903
2
15270
65
ARG
HB2
.906
2
15270
33
ARG
HB2
.908
2
15020
123
ARG
HB2
.91
1
4222
82
ARG
HB2
.91
.
4036
70
ARG
HB2
.91
1
6063
14
ARG
HB2
.91
.
7367
11
ARG
HB2
0
?
7367
5
ARG
HB2
0
?
7367
8
ARG
HB2
0
?
7367
3
ARG
HB2
0
?
7367
1
ARG
HB2
0
?
7367
9
ARG
HB2
0
?