ARG HB2 Chemical Shift Outliers

___________________________________________________
ARG HB2 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
25955
1.789
-4.78
27.53
0.326


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
5946
96
ARG
HB2
2.771
2
6465
128
ARG
HB2
2.773
2
7170
89
ARG
HB2
2.804
2
4317
19
ARG
HB2
2.82
2
18328
58
ARG
HB2
2.82
2
10024
19
ARG
HB2
2.82
1
17173
28
ARG
HB2
2.821
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
11468
36
ARG
HB2
2.862
2
18705
6
ARG
HB2
2.863
1
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
16043
137
ARG
HB2
2.924
2
4602
68
ARG
HB2
2.93
2
5130
119
ARG
HB2
2.936
.
15835
46
ARG
HB2
2.959
1
4681
81
ARG
HB2
2.97
.
4597
19
ARG
HB2
2.97
4
15801
107
ARG
HB2
2.988
.
4143
49
ARG
HB2
2.994
2
11038
68
ARG
HB2
27.53
2
6250
87
ARG
HB2
3
1
16030
22
ARG
HB2
3
2
2999
28
ARG
HB2
3.01
2
1889
48
ARG
HB2
3.01
2
7287
109
ARG
HB2
3.026
1
16256
49
ARG
HB2
3.097
1
7124
4
ARG
HB2
3.104
1
18200
89
ARG
HB2
3.114
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
16782
95
ARG
HB2
3.44
2
18290
56
ARG
HB2
3.493
2
16822
53
ARG
HB2
3.597
2
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
19291
9
ARG
HB2
-.033
2
4011
88
ARG
HB2
-.06
1
16380
31
ARG
HB2
-.063
2
19296
9
ARG
HB2
-.083
2
16923
17
ARG
HB2
-.085
2
7009
34
ARG
HB2
-.094
.
19292
9
ARG
HB2
-.139
2
10282
73
ARG
HB2
-.162
2
10315
18
ARG
HB2
-.166
2
4717
47
ARG
HB2
-.2
.
16564
72
ARG
HB2
-.21
2
17323
45
ARG
HB2
-.221
1
10292
64
ARG
HB2
-.232
2
5876
29
ARG
HB2
-.239
1
16675
144
ARG
HB2
-.304
2
15718
108
ARG
HB2
-.307
2
18953
170
ARG
HB2
-.357
2
1037
53
ARG
HB2
-.38
1
17683
108
ARG
HB2
-.409
2
6375
8
ARG
HB2
-.422
2
6936
40
ARG
HB2
-.447
2
17962
65
ARG
HB2
-.461
2
15442
29
ARG
HB2
-.464
2
17452
54
ARG
HB2
-.501
2
18015
54
ARG
HB2
-.505
2
18944
58
ARG
HB2
-.533
1
16577
58
ARG
HB2
-.541
2
17147
54
ARG
HB2
-.544
2
18011
38
ARG
HB2
-.568
2
17074
125
ARG
HB2
-.574
2
10296
58
ARG
HB2
-.578
2
17076
125
ARG
HB2
-.6
2
10295
68
ARG
HB2
-.611
2
18805
60
ARG
HB2
-.616
1
15134
47
ARG
HB2
-.76
2
16053
43
ARG
HB2
-.766
.
6963
53
ARG
HB2
-.769
1
10104
112
ARG
HB2
-.772
2
17382
146
ARG
HB2
-.857
2
1808
38
ARG
HB2
-4.78
1
15466
15
ARG
HB2
.01
2
15003
14
ARG
HB2
.01
2
19295
9
ARG
HB2
.026
2
16009
110
ARG
HB2
.036
2
11334
27
ARG
HB2
.042
2
4045
87
ARG
HB2
.05
2
1439
42
ARG
HB2
.055
1
15242
135
ARG
HB2
.058
.
15139
81
ARG
HB2
.06
2
15989
40
ARG
HB2
.065
2
16339
96
ARG
HB2
.073
2
5361
54
ARG
HB2
.08
1
15989
91
ARG
HB2
.089
2
6041
5
ARG
HB2
.09
.
4882
9
ARG
HB2
.1
1
5248
14
ARG
HB2
.11
.
16088
11
ARG
HB2
.11
.
16070
11
ARG
HB2
.11
.
4045
30
ARG
HB2
.12
2
1198
19
ARG
HB2
.12
2
16339
24
ARG
HB2
.141
2
2049
43
ARG
HB2
.154
2
60
19
ARG
HB2
.17
2
4891
36
ARG
HB2
.177
1
11186
68
ARG
HB2
.177
2
16923
63
ARG
HB2
.185
2
7266
49
ARG
HB2
.19
2
6658
117
ARG
HB2
.205
2
16481
89
ARG
HB2
.212
2
17518
23
ARG
HB2
.214
.
6344
125
ARG
HB2
.22
2
18394
96
ARG
HB2
.22
2
6041
5
ARG
HB2
.222
.
2169
42
ARG
HB2
.23
4
5850
52
ARG
HB2
.24
2
4964
72
ARG
HB2
.24
1
2070
72
ARG
HB2
.25
1
15988
24
ARG
HB2
.257
2
10114
44
ARG
HB2
.259
2
4868
42
ARG
HB2
.27
2
15369
107
ARG
HB2
.278
2
6434
46
ARG
HB2
.287
2
16008
35
ARG
HB2
.288
2
4782
115
ARG
HB2
.29
1
18533
58
ARG
HB2
.29
2
6957
10
ARG
HB2
.295
2
16613
166
ARG
HB2
.298
2
16142
22
ARG
HB2
.319
2
18338
62
ARG
HB2
.324
.
16143
22
ARG
HB2
.329
2
5171
42
ARG
HB2
.33
.
2071
72
ARG
HB2
.34
1
48
42
ARG
HB2
.36
2
16519
20
ARG
HB2
.364
2
17389
62
ARG
HB2
.369
2
5199
34
ARG
HB2
.37
1
15401
122
ARG
HB2
.37
2
18039
78
ARG
HB2
.376
2
6625
78
ARG
HB2
.378
2
16018
43
ARG
HB2
.385
2
15402
122
ARG
HB2
.391
2
6963
25
ARG
HB2
.397
1
17519
23
ARG
HB2
.399
1
16157
17
ARG
HB2
.405
2
15593
94
ARG
HB2
.412
2
11141
29
ARG
HB2
.418
2
4165
24
ARG
HB2
.42
2
11472
94
ARG
HB2
.425
2
4295
50
ARG
HB2
.43
2
17541
9
ARG
HB2
.432
2
17542
12
ARG
HB2
.432
1
5758
95
ARG
HB2
.434
2
11404
40
ARG
HB2
.441
2
6467
24
ARG
HB2
.468
.
6620
103
ARG
HB2
.474
2
15139
110
ARG
HB2
.48
2
10286
63
ARG
HB2
.481
2
15140
24
ARG
HB2
.49
1
6615
48
ARG
HB2
.49
2
49
42
ARG
HB2
.49
2
6365
122
ARG
HB2
.49
2
15633
22
ARG
HB2
.492
2
17953
108
ARG
HB2
.501
2
15369
84
ARG
HB2
.509
2
17510
101
ARG
HB2
.512
2
15599
78
ARG
HB2
.515
2
16255
84
ARG
HB2
.52
2
4423
5
ARG
HB2
.52
2
10035
123
ARG
HB2
.521
2
7063
31
ARG
HB2
.522
2
16992
161
ARG
HB2
.527
1
45
42
ARG
HB2
.53
2
4925
12
ARG
HB2
.531
2
15765
83
ARG
HB2
.532
2
11131
30
ARG
HB2
.534
2
17918
62
ARG
HB2
.536
2
4968
42
ARG
HB2
.538
2
7256
17
ARG
HB2
.54
2
18535
42
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
17139
38
ARG
HB2
.556
2
15553
8
ARG
HB2
.56
1
6053
12
ARG
HB2
.56
1
6221
79
ARG
HB2
.565
4
16124
26
ARG
HB2
.568
2
6902
95
ARG
HB2
.57
1
4782
116
ARG
HB2
.58
1
7107
81
ARG
HB2
.584
2
16923
78
ARG
HB2
.593
2
4786
43
ARG
HB2
.6
2
4963
19
ARG
HB2
.6
1
5038
6
ARG
HB2
.6
2
6054
12
ARG
HB2
.6
1
16507
57
ARG
HB2
.608
2
16264
13
ARG
HB2
.609
.
10067
22
ARG
HB2
.611
2
7203
54
ARG
HB2
.611
.
6865
25
ARG
HB2
.619
2
18320
70
ARG
HB2
.623
2
18502
25
ARG
HB2
.629
2
18717
115
ARG
HB2
.63
2
18717
115
ARG
HB2
.63
2
16153
54
ARG
HB2
.631
2
18901
102
ARG
HB2
.632
.
18661
15
ARG
HB2
.635
1
18388
125
ARG
HB2
.639
2
4898
46
ARG
HB2
.64
2
5038
140
ARG
HB2
.64
1
4579
46
ARG
HB2
.64
2
17145
54
ARG
HB2
.645
2
15718
104
ARG
HB2
.645
1
17484
55
ARG
HB2
.65
2
5075
71
ARG
HB2
.65
2
7242
66
ARG
HB2
.651
2
6503
62
ARG
HB2
.654
2
10294
58
ARG
HB2
.657
2
2219
28
ARG
HB2
.66
2
6368
16
ARG
HB2
.66
1
4562
114
ARG
HB2
.66
2
10317
23
ARG
HB2
.664
2
10281
58
ARG
HB2
.667
2
5352
129
ARG
HB2
.67
2
613
36
ARG
HB2
.675
1
19045
25
ARG
HB2
.675
1
17369
70
ARG
HB2
.676
2
4969
38
ARG
HB2
.68
2
5009
99
ARG
HB2
.68
.
6536
68
ARG
HB2
.684
2
17282
57
ARG
HB2
.69
2
16252
58
ARG
HB2
.69
2
18492
36
ARG
HB2
.697
2
15785
121
ARG
HB2
.697
.
6906
53
ARG
HB2
.705
9
15718
23
ARG
HB2
.715
2
16603
57
ARG
HB2
.718
2
17497
13
ARG
HB2
.718
2
6189
31
ARG
HB2
.719
1
4791
123
ARG
HB2
.72
2
4301
40
ARG
HB2
.72
2
4242
116
ARG
HB2
.73
2
5099
37
ARG
HB2
.73
2
7032
64
ARG
HB2
.73
2
19003
39
ARG
HB2
.733
2
6601
6
ARG
HB2
.735
2
17368
70
ARG
HB2
.74
2
5628
52
ARG
HB2
.74
2
15509
5
ARG
HB2
.74
2
15823
84
ARG
HB2
.74
2
15634
48
ARG
HB2
.747
2
17232
140
ARG
HB2
.747
2
16173
177
ARG
HB2
.749
2
11022
77
ARG
HB2
.75
1
16305
38
ARG
HB2
.753
2
7231
36
ARG
HB2
.753
2
17824
83
ARG
HB2
.754
2
329
77
ARG
HB2
.76
2
6876
92
ARG
HB2
.76
2
4855
20
ARG
HB2
.76
2
2249
48
ARG
HB2
.76
1
1394
77
ARG
HB2
.76
2
16768
41
ARG
HB2
.7638
1
17752
50
ARG
HB2
.767
2
17707
83
ARG
HB2
.769
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
18849
20
ARG
HB2
.78
2
11208
84
ARG
HB2
.78
2
2169
20
ARG
HB2
.78
2
15504
113
ARG
HB2
.78
2
4706
109
ARG
HB2
.78
2
7061
54
ARG
HB2
.78
.
5375
42
ARG
HB2
.78
2
4628
38
ARG
HB2
.781
.
18012
18
ARG
HB2
.79
2
6343
103
ARG
HB2
.79
2
5317
53
ARG
HB2
.79
1
17407
52
ARG
HB2
.792
2
11132
15
ARG
HB2
.792
2
17258
124
ARG
HB2
.793
2
4868
20
ARG
HB2
.8
2
17918
6
ARG
HB2
.801
2
15877
12
ARG
HB2
.801
2
16037
89
ARG
HB2
.802
2
6539
68
ARG
HB2
.802
2
10256
40
ARG
HB2
.803
2
16107
125
ARG
HB2
.804
2
15059
65
ARG
HB2
.805
2
17582
175
ARG
HB2
.806
2