ARG HB2 Chemical Shift Outliers

___________________________________________________
ARG HB2 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
25774
1.796
-.611
3.74
0.259


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
6826
8
ARG
HB2
2.578
2
18390
63
ARG
HB2
2.579
2
16494
16
ARG
HB2
2.58
2
30101
110
ARG
HB2
2.58
2
16493
16
ARG
HB2
2.58
2
11192
61
ARG
HB2
2.581
2
5047
54
ARG
HB2
2.582
1
18049
55
ARG
HB2
2.585
1
6826
15
ARG
HB2
2.593
2
7055
132
ARG
HB2
2.596
2
17232
146
ARG
HB2
2.597
2
16266
61
ARG
HB2
2.598
2
17250
271
ARG
HB2
2.599
2
15356
107
ARG
HB2
2.599
2
5662
28
ARG
HB2
2.6
.
5175
15
ARG
HB2
2.6
2
4081
125
ARG
HB2
2.6
1
18200
87
ARG
HB2
2.606
1
11314
30
ARG
HB2
2.607
2
16812
17
ARG
HB2
2.611
2
19482
51
ARG
HB2
2.613
2
5233
55
ARG
HB2
2.62
2
5065
41
ARG
HB2
2.62
2
4084
14
ARG
HB2
2.62
1
25573
40
ARG
HB2
2.6251
2
6586
120
ARG
HB2
2.63
2
11229
63
ARG
HB2
2.634
2
11299
48
ARG
HB2
2.636
2
11092
68
ARG
HB2
2.637
2
15028
16
ARG
HB2
2.637
2
5187
90
ARG
HB2
2.64
2
6207
43
ARG
HB2
2.64
2
11298
10
ARG
HB2
2.652
2
25778
25
ARG
HB2
2.66
2
36059
46
ARG
HB2
2.664
2
26765
159
ARG
HB2
2.67
1
11298
21
ARG
HB2
2.676
2
19642
13
ARG
HB2
2.677
.
36047
35
ARG
HB2
2.693
.
16372
79
ARG
HB2
2.695
2
6826
23
ARG
HB2
2.697
2
16772
120
ARG
HB2
2.7
2
6563
16
ARG
HB2
2.704
2
16862
105
ARG
HB2
2.706
.
17532
105
ARG
HB2
2.706
2
4886
120
ARG
HB2
2.72
2
6806
35
ARG
HB2
2.72
2
11122
71
ARG
HB2
2.722
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
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
5946
96
ARG
HB2
2.771
2
30339
35
ARG
HB2
2.799
.
7170
89
ARG
HB2
2.804
2
4317
19
ARG
HB2
2.82
2
10024
19
ARG
HB2
2.82
1
18328
58
ARG
HB2
2.82
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
25387
31
ARG
HB2
2.867
2
4299
150
ARG
HB2
2.88
2
5398
87
ARG
HB2
2.888
1
25453
92
ARG
HB2
2.917
2
25573
36
ARG
HB2
2.9581
2
4597
19
ARG
HB2
2.97
4
15801
107
ARG
HB2
2.988
.
16030
22
ARG
HB2
3
2
6250
87
ARG
HB2
3
1
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
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
750
145
ARG
HB2
3.29
1
16782
95
ARG
HB2
3.44
2
27781
92
ARG
HB2
3.466
1
18290
56
ARG
HB2
3.493
2
15438
14
ARG
HB2
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
4011
88
ARG
HB2
-.06
1
16380
31
ARG
HB2
-.063
2
7009
34
ARG
HB2
-.094
.
10282
73
ARG
HB2
-.162
2
17323
45
ARG
HB2
-.221
1
10292
64
ARG
HB2
-.232
2
16675
144
ARG
HB2
-.304
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
17962
65
ARG
HB2
-.461
2
15442
29
ARG
HB2
-.464
2
26995
54
ARG
HB2
-.5
1
17452
54
ARG
HB2
-.501
2
18015
54
ARG
HB2
-.505
2
16577
58
ARG
HB2
-.541
2
17147
54
ARG
HB2
-.544
2
18011
38
ARG
HB2
-.568
2
17074
125
ARG
HB2
-.574
2
17076
125
ARG
HB2
-.6
2
10295
68
ARG
HB2
-.611
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
15242
135
ARG
HB2
.058
.
15139
81
ARG
HB2
.06
2
34307
47
ARG
HB2
.061
2
15989
40
ARG
HB2
.065
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
.
4045
30
ARG
HB2
.12
2
1198
19
ARG
HB2
.12
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
7266
49
ARG
HB2
.19
2
17518
23
ARG
HB2
.214
.
18394
96
ARG
HB2
.22
2
6041
5
ARG
HB2
.222
.
2169
42
ARG
HB2
.23
4
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
16008
35
ARG
HB2
.288
2
4782
115
ARG
HB2
.29
1
18533
58
ARG
HB2
.29
2
25761
101
ARG
HB2
.297
.
16613
166
ARG
HB2
.298
2
16142
22
ARG
HB2
.319
2
16143
22
ARG
HB2
.329
2
5171
42
ARG
HB2
.33
.
34176
20
ARG
HB2
.333
.
2071
72
ARG
HB2
.34
1
48
42
ARG
HB2
.36
2
16519
20
ARG
HB2
.364
2
19757
24
ARG
HB2
.368
1
34223
24
ARG
HB2
.368
1
17389
62
ARG
HB2
.369
2
5199
34
ARG
HB2
.37
1
34224
24
ARG
HB2
.372
1
18039
78
ARG
HB2
.376
2
16018
43
ARG
HB2
.385
2
16157
17
ARG
HB2
.405
2
11141
29
ARG
HB2
.418
2
17542
12
ARG
HB2
.432
1
17541
9
ARG
HB2
.432
2
5758
95
ARG
HB2
.434
2
11404
40
ARG
HB2
.441
2
6467
24
ARG
HB2
.468
.
6620
108
ARG
HB2
.474
2
15139
110
ARG
HB2
.48
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
15369
84
ARG
HB2
.509
2
19711
25
ARG
HB2
.509
2
17510
101
ARG
HB2
.512
2
4423
5
ARG
HB2
.52
2
7063
31
ARG
HB2
.522
2
45
42
ARG
HB2
.53
2
4925
12
ARG
HB2
.531
2
11131
30
ARG
HB2
.534
2
4968
42
ARG
HB2
.538
2
7256
17
ARG
HB2
.54
2
18535
42
ARG
HB2
.54
2
18548
19
ARG
HB2
.548
2
6620
39
ARG
HB2
.549
2
17139
38
ARG
HB2
.556
2
15553
8
ARG
HB2
.56
1
6221
79
ARG
HB2
.565
4
6902
95
ARG
HB2
.57
1
27666
85
ARG
HB2
.572
2
4782
116
ARG
HB2
.58
1
7107
81
ARG
HB2
.584
2
25512
101
ARG
HB2
.585
2
5038
6
ARG
HB2
.6
2
16264
13
ARG
HB2
.609
.
10067
22
ARG
HB2
.611
2
7203
57
ARG
HB2
.611
.
18320
70
ARG
HB2
.623
2
18502
25
ARG
HB2
.629
2
18717
115
ARG
HB2
.63
2
16153
54
ARG
HB2
.631
2
18661
15
ARG
HB2
.635
1
5038
140
ARG
HB2
.64
1
34110
34
ARG
HB2
.644
2
11588
28
ARG
HB2
.647
2
5075
71
ARG
HB2
.65
2
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
10317
23
ARG
HB2
.664
2
36014
28
ARG
HB2
.667
2
10281
58
ARG
HB2
.667
2
36101
91
ARG
HB2
.671
1
613
36
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
16603
57
ARG
HB2
.718
2
6189
31
ARG
HB2
.719
1
4791
123
ARG
HB2
.72
2
27165
129
ARG
HB2
.72
2
5099
37
ARG
HB2
.73
2
4242
116
ARG
HB2
.73
2
19003
39
ARG
HB2
.733
2
17368
70
ARG
HB2
.74
2
5628
52
ARG
HB2
.74
2
15823
84
ARG
HB2
.74
2
17232
140
ARG
HB2
.747
2
15634
48
ARG
HB2
.747
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
4855
20
ARG
HB2
.76
2
2249
48
ARG
HB2
.76
1
6876
92
ARG
HB2
.76
2
16768
41
ARG
HB2
.7638
1
7008
35
ARG
HB2
.769
.
17707
83
ARG
HB2
.769
2
6367
48
ARG
HB2
.77
2
6514
49
ARG
HB2
.77
2
18849
20
ARG
HB2
.78
2
5375
42
ARG
HB2
.78
2
2169
20
ARG
HB2
.78
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
6539
68
ARG
HB2
.802
2
10256
40
ARG
HB2
.803
2
26061
43
ARG
HB2
.803
.
25395
12
ARG
HB2
.805
.
15059
65
ARG
HB2
.805
2
17582
175
ARG
HB2
.806
2
17576
175
ARG
HB2
.81
2
6869
100
ARG
HB2
.81
1
7204
124
ARG
HB2
.817
2
25159
77
ARG
HB2
.819
2
4577
52
ARG
HB2
.82
2
18540
84
ARG
HB2
.823
1
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
4935
65
ARG
HB2
.84
2
18491
31
ARG
HB2
.84
2
25925
68
ARG
HB2
.84
2
19187
56
ARG
HB2
.843
2
25829
27
ARG
HB2
.844
2
16439
97
ARG
HB2
.849
2
15110
17
ARG
HB2
.849
1
6292
52
ARG
HB2
.85
2
30139
48
ARG
HB2
.85
2
18200
101
ARG
HB2
.858
2
10298
57
ARG
HB2
.858
2
45
20
ARG
HB2
.86
2
16362
51
ARG
HB2
.863
2
16630
51
ARG
HB2
.866
2
18990
104
ARG
HB2
.868
2
10208
24
ARG
HB2
.869
2
17396
38
ARG
HB2
.869
1
5381
20
ARG
HB2
.87
1
34246
48
ARG
HB2
.875
1
25168
96
ARG
HB2
.876
1
18179
113
ARG
HB2
.879
1
19491
169
ARG
HB2
.879
.
4577
17
ARG
HB2
.88
2
5778
41
ARG
HB2
.881
2
18642
31
ARG
HB2
.883
2
18445
65
ARG
HB2
.883
2
4639
52
ARG
HB2
.883
1
17147
26
ARG
HB2
.885
2
15927
52
ARG
HB2
.885
1
1037
25
ARG
HB2
.89
1
27268
12
ARG
HB2
.89
.
11029
112
ARG
HB2
.892
2
18632
45
ARG
HB2
.893
2
18632
45
ARG
HB2
.896
2
16094
11
ARG
HB2
.896
2
18500
33
ARG
HB2
.897
2
17543
34
ARG
HB2
.897
2
15802
77
ARG
HB2
.9
2
16084
24
ARG
HB2
.9
2
5042
18
ARG
HB2
.9
2
6517
20
ARG
HB2
.9
2
30237
47
ARG
HB2
.9
.
19624
40
ARG
HB2
.906
2
25744
54
ARG
HB2
.906
1
25919
11
ARG
HB2
.91
2
4036
70
ARG
HB2
.91
1
18887
74
ARG
HB2
.91
.
6063
15
ARG
HB2
.91
.
15020
123
ARG
HB2
.91
1
15642
88
ARG
HB2
.91
2
36107
19
ARG
HB2
.914
2
30260
19
ARG
HB2
.917
.
18632
67
ARG
HB2
.918
2
18632
67
ARG
HB2
.918
2
30345
55
ARG
HB2
.919
.
4327
37
ARG
HB2
.92
2
5928
12
ARG
HB2
.92
2
25762
39
ARG
HB2
.927
2
18837
52
ARG
HB2
.929
2
16816
41
ARG
HB2
.93
2
6869
23
ARG
HB2
.93
1
16792
41
ARG
HB2
.93
2
15646
93
ARG
HB2
.93
2
18510
5
ARG
HB2
.931
2
16562
81
ARG
HB2
.933
2
19233
22
ARG
HB2
.933
2
11590
64
ARG
HB2
.934
2
15652
89
ARG
HB2
.935
2
10113
20
ARG
HB2
.937
2
17152
21
ARG
HB2
.938
1
1377
41
ARG
HB2
.94
2
4952
40
ARG
HB2
.94
2
5628
103
ARG
HB2
.94
2
4195
36
ARG
HB2
.94
1
11180
23
ARG
HB2
.942
2
11094
64
ARG
HB2
.942
2
10092
54
ARG
HB2
.942
2
27162
14
ARG
HB2
.944
1
7298
122
ARG
HB2
.945
2
19459
63
ARG
HB2
.9467
.
11414
77
ARG
HB2
.947
2
7261
38
ARG
HB2
.947
1
18249
140
ARG
HB2
.948
2
19047
199
ARG
HB2
.949
1
16468
14
ARG
HB2
.949
1
17396
47
ARG
HB2
.95
1
6753
15
ARG
HB2
.95
.
4877
20
ARG
HB2
.95
2
17653
33
ARG
HB2
.95
2
15253
157
ARG
HB2
.95
2
19047
199
ARG
HB2
.951
1
15746
99
ARG
HB2
.951
2
11146
22
ARG
HB2
.953
2
17509
63
ARG
HB2
.954
2
6064
15
ARG
HB2
.957
.
17879
29
ARG
HB2
.958
2
4934
19
ARG
HB2
.96
1
5998
6
ARG
HB2
.96
2
11022
37
ARG
HB2
.96
1
5497
145
ARG
HB2
.96
2
30098
22
ARG
HB2
.964
2
6726
130
ARG
HB2
.964
2
10186
25
ARG
HB2
.965
2
25649
17
ARG
HB2
.968
2
19048
199
ARG
HB2
.969
1
15813
13
ARG
HB2
.97
2
19074
13
ARG
HB2
.97
2
6371
21
ARG
HB2
.97
2
11311
20
ARG
HB2
.975
2
19048
199
ARG
HB2
.978
1
25512
49
ARG
HB2
.979
2
30345
55
ARG
HB2
.979
.
25646
132
ARG
HB2
.98
2
4451
39
ARG
HB2
.98
2
5794
150
ARG
HB2
.98
2
6594
37
ARG
HB2
.98
2
5669
30
ARG
HB2
.984
1
17784
16
ARG
HB2
.989
1
5099
20
ARG
HB2
.99
2
4470
43
ARG
HB2
.99
.
27086
36
ARG
HB2
.991
1
25483
13
ARG
HB2
.994
.
18179
109
ARG
HB2
.995
1
30172
37
ARG
HB2
.995
1
18541
84
ARG
HB2
.997
1
5381
42
ARG
HB2
1
1
26647
140
ARG
HB2
1
2
1378
41
ARG
HB2
1
2
6000
101
ARG
HB2
1
1
18707
37
ARG
HB2
1
2
17653
19
ARG
HB2
1
2
19446
96
ARG
HB2
1.002
2
11323
28
ARG
HB2
1.002
2
16883
121
ARG
HB2
1.003
2
16692
54
ARG
HB2
1.004
2
30025
93
ARG
HB2
1.004
1
25582
10
ARG
HB2
1.007
1
25492
22
ARG
HB2
1.007
2
4968
20
ARG
HB2
1.008
2
4821
92
ARG
HB2
1.009
1
4875
20
ARG
HB2
1.01
2
5070
87
ARG
HB2
1.01
2
4873
21
ARG
HB2
1.01
2
19220
18
ARG
HB2
1.014
2
19147
32
ARG
HB2
1.014
2
19206
64
ARG
HB2
1.015
1
30019
11
ARG
HB2
1.016
1
34290
9
ARG
HB2
1.017
.
16720
38
ARG
HB2
1.018
2
15807
41
ARG
HB2
1.018
2