ARG HB2 Chemical Shift Outliers

___________________________________________________
ARG HB2 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
34974
1.790
-4.78
27.53
0.312


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
5684
26
ARG
HB2
2.73
2
6272
45
ARG
HB2
2.73
1
6377
110
ARG
HB2
2.73
2
6147
112
ARG
HB2
2.733
1
6826
24
ARG
HB2
2.734
2
4881
120
ARG
HB2
2.74
2
6075
16
ARG
HB2
2.74
1
5709
41
ARG
HB2
2.74
1
11095
93
ARG
HB2
2.748
2
19807
24
ARG
HB2
2.749
1
18919
73
ARG
HB2
2.754
.
5946
96
ARG
HB2
2.771
2
6465
128
ARG
HB2
2.773
2
30339
35
ARG
HB2
2.799
.
7170
89
ARG
HB2
2.804
2
19954
28
ARG
HB2
2.816
.
4317
19
ARG
HB2
2.82
2
10024
19
ARG
HB2
2.82
1
18328
58
ARG
HB2
2.82
2
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
25387
31
ARG
HB2
2.867
2
4761
10
ARG
HB2
2.87
9
4299
150
ARG
HB2
2.88
2
5668
87
ARG
HB2
2.888
1
5398
87
ARG
HB2
2.888
1
6142
113
ARG
HB2
2.91
1
25453
92
ARG
HB2
2.917
2
36037
23
ARG
HB2
2.923
.
16043
137
ARG
HB2
2.924
2
4602
68
ARG
HB2
2.93
2
5130
119
ARG
HB2
2.936
.
25573
36
ARG
HB2
2.9581
2
15835
46
ARG
HB2
2.959
1
4597
19
ARG
HB2
2.97
4
4681
81
ARG
HB2
2.97
.
30133
54
ARG
HB2
2.979
9
15801
107
ARG
HB2
2.988
.
4143
49
ARG
HB2
2.994
2
11038
68
ARG
HB2
27.53
2
16030
22
ARG
HB2
3
2
6250
87
ARG
HB2
3
1
2999
28
ARG
HB2
3.01
2
26780
38
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
11575
10
ARG
HB2
3.174
1
25009
1
ARG
HB2
3.182
2
5343
91
ARG
HB2
3.22
2
750
145
ARG
HB2
3.29
1
27434
486
ARG
HB2
3.3
1
6685
184
ARG
HB2
3.354
2
6142
56
ARG
HB2
3.41
1
25470
1
ARG
HB2
3.43
.
16782
95
ARG
HB2
3.44
2
27781
92
ARG
HB2
3.466
1
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
30208
6
ARG
HB2
4.52
1
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
19421
29
ARG
HB2
-.055
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
25047
20
ARG
HB2
-.094
2
7009
34
ARG
HB2
-.094
.
26008
9
ARG
HB2
-.097
2
19766
25
ARG
HB2
-.104
2
26007
9
ARG
HB2
-.115
2
26005
9
ARG
HB2
-.127
2
26006
9
ARG
HB2
-.132
2
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
30502
25
ARG
HB2
-.268
.
16675
144
ARG
HB2
-.304
2
15718
108
ARG
HB2
-.307
2
18953
170
ARG
HB2
-.357
2
1037
53
ARG
HB2
-.38
1
30501
25
ARG
HB2
-.382
.
17683
108
ARG
HB2
-.409
2
6375
8
ARG
HB2
-.422
2
6936
40
ARG
HB2
-.447
2
19511
58
ARG
HB2
-.455
2
17962
65
ARG
HB2
-.461
2
15442
29
ARG
HB2
-.464
2
30322
102
ARG
HB2
-.466
1
26995
54
ARG
HB2
-.5
1
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
11500
92
ARG
HB2
-.918
2
1808
38
ARG
HB2
-4.78
1
15003
14
ARG
HB2
.01
2
15466
15
ARG
HB2
.01
2
19295
9
ARG
HB2
.026
2
26698
13
ARG
HB2
.028
2
27458
97
ARG
HB2
.03
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
34307
47
ARG
HB2
.061
2
15989
40
ARG
HB2
.065
2
16339
96
ARG
HB2
.073
2
5361
54
ARG
HB2
.08
1
19711
121
ARG
HB2
.084
2
15989
91
ARG
HB2
.089
2
6041
5
ARG
HB2
.09
.
30247
41
ARG
HB2
.092
.
4882
9
ARG
HB2
.1
1
27579
14
ARG
HB2
.109
1
5248
14
ARG
HB2
.11
.
16070
11
ARG
HB2
.11
.
16088
11
ARG
HB2
.11
.
4045
30
ARG
HB2
.12
2
1198
19
ARG
HB2
.12
2
16339
24
ARG
HB2
.141
2
25047
6
ARG
HB2
.147
2
25893
146
ARG
HB2
.148
2
2049
43
ARG
HB2
.154
2
19837
174
ARG
HB2
.165
2
60
19
ARG
HB2
.17
2
11186
68
ARG
HB2
.177
2
4891
36
ARG
HB2
.177
1
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
.
25446
51
ARG
HB2
.217
.
18394
96
ARG
HB2
.22
2
6344
125
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
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
34121
76
ARG
HB2
.288
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
25761
101
ARG
HB2
.297
.
16613
166
ARG
HB2
.298
2
16142
22
ARG
HB2
.319
2
18338
62
ARG
HB2
.324
.
26725
77
ARG
HB2
.327
.
16143
22
ARG
HB2
.329
2
5171
42
ARG
HB2
.33
.
34176
20
ARG
HB2
.333
.
2071
72
ARG
HB2
.34
1
25442
9
ARG
HB2
.351
.
48
42
ARG
HB2
.36
2
19213
79
ARG
HB2
.36
1
16519
20
ARG
HB2
.364
2
19757
24
ARG
HB2
.368
1
34223
24
ARG
HB2
.368
1
17389
62
ARG
HB2
.369
2
7381
122
ARG
HB2
.37
2
5199
34
ARG
HB2
.37
1
15401
122
ARG
HB2
.37
2
34224
24
ARG
HB2
.372
1
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
11499
94
ARG
HB2
.425
2
11501
89
ARG
HB2
.429
2
4295
50
ARG
HB2
.43
2
17542
12
ARG
HB2
.432
1
17541
9
ARG
HB2
.432
2
5758
95
ARG
HB2
.434
2
34123
16
ARG
HB2
.436
.
11404
40
ARG
HB2
.441
2
11012
201
ARG
HB2
.456
1
6467
24
ARG
HB2
.468
.
6620
108
ARG
HB2
.474
2
15139
110
ARG
HB2
.48
2
10286
63
ARG
HB2
.481
2
6365
122
ARG
HB2
.49
2
15140
24
ARG
HB2
.49
1
49
42
ARG
HB2
.49
2
6615
48
ARG
HB2
.49
2
15633
22
ARG
HB2
.492
2
17953
108
ARG
HB2
.501
2
15369
84
ARG
HB2
.509
2
19711
25
ARG
HB2
.509
2
17510
101
ARG
HB2
.512
2
26963
113
ARG
HB2
.515
2
15599
78
ARG
HB2
.515
2
19214
131
ARG
HB2
.518
1
4423
5
ARG
HB2
.52
2
16255
84
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
18548
19
ARG
HB2
.548
2
6620
39
ARG
HB2
.549
2
4590
15
ARG
HB2
.55
1
25047
63
ARG
HB2
.552
2
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
19213
131
ARG
HB2
.57
1
6902
95
ARG
HB2
.57
1
27666
85
ARG
HB2
.572
2
25442
63
ARG
HB2
.576
.
18667
95
ARG
HB2
.58
2
4782
116
ARG
HB2
.58
1
7107
81
ARG
HB2
.584
2
25512
101
ARG
HB2
.585
2
16923
78
ARG
HB2
.593
2
5038
6
ARG
HB2
.6
2
4963
19
ARG
HB2
.6
1
6054
12
ARG
HB2
.6
1
4786
43
ARG
HB2
.6
2
16507
57
ARG
HB2
.608
2
16264
13
ARG
HB2
.609
.
10067
22
ARG
HB2
.611
2
7203
57
ARG
HB2
.611
.
25447
53
ARG
HB2
.612
.
6865
25
ARG
HB2
.619
2
18320
70
ARG
HB2
.623
2
18502
25
ARG
HB2
.629
2
18717
115
ARG
HB2
.63
2
16153
54
ARG
HB2
.631
2
18901
102
ARG
HB2
.632
.
18661
15
ARG
HB2
.635
1
30322
25
ARG
HB2
.639
1
18388
125
ARG
HB2
.639
2
4898
46
ARG
HB2
.64
2
4579
46
ARG
HB2
.64
2
5038
140
ARG
HB2
.64
1
19302
26
ARG
HB2
.644
.
34110
34
ARG
HB2
.644
2
17145
54
ARG
HB2
.645
2
15718
104
ARG
HB2
.645
1
11588
28
ARG
HB2
.647
2
5075
71
ARG
HB2
.65
2
27518
39
ARG
HB2
.65
1
17484
55
ARG
HB2
.65
2
7242
66
ARG
HB2
.651
2
11587
28
ARG
HB2
.653
2
6503
62
ARG
HB2
.654
2
10294
58
ARG
HB2
.657
2
4562
114
ARG
HB2
.66
2
6368
16
ARG
HB2
.66
1
2219
28
ARG
HB2
.66
2
10317
23
ARG
HB2
.664
2
34140
85
ARG
HB2
.665
2
36014
28
ARG
HB2
.667
2
10281
58
ARG
HB2
.667
2
5352
129
ARG
HB2
.67
2
27579
74
ARG
HB2
.671
2
18667
91
ARG
HB2
.671
1
36101
91
ARG
HB2
.671
1
613
36
ARG
HB2
.675
1
19045
25
ARG
HB2
.675
1
11559
28
ARG
HB2
.676
2
17369
70
ARG
HB2
.676
2
5009
99
ARG
HB2
.68
.
4969
38
ARG
HB2
.68
2
6536
68
ARG
HB2
.684
2
11560
28
ARG
HB2
.687
2
16252
58
ARG
HB2
.69
2
17282
57
ARG
HB2
.69
2
25834
91
ARG
HB2
.695
1
15785
121
ARG
HB2
.697
.
18492
36
ARG
HB2
.697
2
6906
53
ARG
HB2
.705
9
15718
23
ARG
HB2
.715
2
26577
142
ARG
HB2
.717
2
17497
13
ARG
HB2
.718
2
16603
57
ARG
HB2
.718
2
6189
31
ARG
HB2
.719
1
4791
123
ARG
HB2
.72
2
27165
129
ARG
HB2
.72
2
4301
40
ARG
HB2
.72
2
7032
64
ARG
HB2
.73
2
5099
37
ARG
HB2
.73
2
4242
116
ARG
HB2
.73
2
19003
39
ARG
HB2
.733
2
6601
6
ARG
HB2
.735
2
19214
79
ARG
HB2
.74
1
17368
70
ARG
HB2
.74
2
5628
52
ARG
HB2
.74
2
15509
5
ARG
HB2
.74
2
15823
84
ARG
HB2
.74
2
17232
140
ARG
HB2
.747
2
15634
48
ARG
HB2
.747
2
16173
177
ARG
HB2
.749
2
11022
77
ARG
HB2
.75
1
27519
39
ARG
HB2
.75
1
7231
36
ARG
HB2
.753
2
16305
38
ARG
HB2
.753
2
17824
83
ARG
HB2
.754
2
1394
77
ARG
HB2
.76
2
329
77
ARG
HB2
.76
2
4855
20
ARG
HB2
.76
2
2249
48
ARG
HB2
.76
1
6876
92
ARG
HB2
.76
2
16768
41
ARG
HB2
.7638
1
17752
50
ARG
HB2
.767
2
26582
142
ARG
HB2
.767
2
7008
35
ARG
HB2
.769
.
17707
83
ARG
HB2
.769
2
6367
48
ARG
HB2
.77
2
6514
49
ARG
HB2
.77
2
34222
4
ARG
HB2
.77
.
5939
25
ARG
HB2
.771
1
6658
136
ARG
HB2
.775
2
18849
20
ARG
HB2
.78
2
15504
113
ARG
HB2
.78
2
4706
109
ARG
HB2
.78
2
5375
42
ARG
HB2
.78
2
2169
20
ARG
HB2
.78
2
11208
84
ARG
HB2
.78
2
7061
54
ARG
HB2
.78
.
4628
38
ARG
HB2
.781
.
6343
103
ARG
HB2
.79
2
5317
53
ARG
HB2
.79
1
25342
141
ARG
HB2
.79
2
18012
18
ARG
HB2
.79
2
25142
60
ARG
HB2
.792
.
36106
19
ARG
HB2
.792
2
17407
52
ARG
HB2
.792
2
11132
15
ARG
HB2
.792
2
17258
124
ARG
HB2
.793
2
19726
53
ARG
HB2
.794
1
4868
20
ARG
HB2
.8
2
17918
6
ARG
HB2
.801
2
15877
12
ARG
HB2
.801
2
6539
68
ARG
HB2
.802
2
16037
89
ARG
HB2
.802
2
10256
40
ARG
HB2
.803
2
26061
43
ARG
HB2
.803
.
16107
125
ARG
HB2
.804
2
25395
12
ARG
HB2
.805
.
15059
65
ARG
HB2
.805
2
17582
175
ARG
HB2
.806
2
5126
49
ARG
HB2
.81
.
11175
91
ARG
HB2
.81
1
4797
53
ARG
HB2
.81
2
17576
175
ARG
HB2
.81
2
6869
100
ARG
HB2
.81
1
7204
124
ARG
HB2
.817
2
18180
180
ARG
HB2
.817
2
25993
168
ARG
HB2
.819
2
25159
77
ARG
HB2
.819
2
4577
52
ARG
HB2
.82
2
11017
12
ARG
HB2
.82
2
6506
22
ARG
HB2
.822
2
18540
84
ARG
HB2
.823
1
16560
95
ARG
HB2
.825
2
17025
51
ARG
HB2
.826
2
19928
89
ARG
HB2
.828
2
25895
60
ARG
HB2
.828
2
16009
27
ARG
HB2
.829
2
48
20
ARG
HB2
.83
2
49
20
ARG
HB2
.83
2
11246
76
ARG
HB2
.833
2
5107
46
ARG
HB2
.835
2
10287
58
ARG
HB2
.835
2
27251
18
ARG
HB2
.836
1
15525
111
ARG
HB2
.837
2
15803
111
ARG
HB2
.837
2
4935
65
ARG
HB2
.84
2
18491
31
ARG
HB2
.84
2
4360
131
ARG
HB2
.84
2
18404
69
ARG
HB2
.84
2
27251
27
ARG
HB2
.84
2
4039
121
ARG
HB2
.84
1
25925
68
ARG
HB2
.84
2
19187
56
ARG
HB2
.843
2
25829
27
ARG
HB2
.844
2
16967
25
ARG
HB2
.845
2
5041
35
ARG
HB2
.847
1
16439
97
ARG
HB2
.849
2
15110
17
ARG
HB2
.849
1
6292
52
ARG
HB2
.85
2
30139
48
ARG
HB2
.85
2
15558
152
ARG
HB2
.852
2