ARG CB Chemical Shift Outliers

___________________________________________________
ARG CB Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
28260
30.728
17.736
123.5
2.205


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
11055
83
ARG
CB
123.5
1
11514
110
ARG
CB
37.35
1
17736
22
ARG
CB
37.4
1
6713
11
ARG
CB
37.4
1
15091
212
ARG
CB
37.401
1
16391
116
ARG
CB
37.405
1
11441
96
ARG
CB
37.408
1
7172
61
ARG
CB
37.417
1
5894
90
ARG
CB
37.42
1
11098
85
ARG
CB
37.453
1
18181
53
ARG
CB
37.46
.
11467
114
ARG
CB
37.546
1
4091
80
ARG
CB
37.6
1
5946
96
ARG
CB
37.6
1
15703
35
ARG
CB
37.605
1
18486
86
ARG
CB
37.71
1
6628
13
ARG
CB
37.79
1
4284
37
ARG
CB
37.842
1
17952
46
ARG
CB
37.97
1
5584
87
ARG
CB
38
1
17432
173
ARG
CB
38.06
1
5861
125
ARG
CB
38.1
1
6004
81
ARG
CB
38.1
1
18215
132
ARG
CB
38.115
1
17278
59
ARG
CB
38.218
1
11513
109
ARG
CB
38.252
1
4664
113
ARG
CB
38.27
1
16682
113
ARG
CB
38.3
1
15257
6
ARG
CB
38.304
1
5177
81
ARG
CB
38.4
1
19239
211
ARG
CB
38.404
1
16734
136
ARG
CB
38.43
1
18180
126
ARG
CB
38.548
1
15783
81
ARG
CB
38.588
.
4574
39
ARG
CB
38.6
1
17577
113
ARG
CB
38.6
1
10055
73
ARG
CB
38.642
1
6221
73
ARG
CB
38.81
1
15949
3
ARG
CB
38.858
.
18356
81
ARG
CB
39
1
5293
11
ARG
CB
39.01
1
4132
25
ARG
CB
39.1
1
16337
139
ARG
CB
39.4
1
6725
57
ARG
CB
39.53
1
16337
120
ARG
CB
39.8
1
4074
87
ARG
CB
39.83
1
15680
136
ARG
CB
39.941
1
4232
47
ARG
CB
39.96
1
4897
25
ARG
CB
40.4
1
5500
47
ARG
CB
40.421
1
11492
70
ARG
CB
40.78
1
16541
225
ARG
CB
40.84054
1
18705
6
ARG
CB
40.925
1
5663
12
ARG
CB
41
.
17867
98
ARG
CB
41.06
1
4818
6
ARG
CB
41.09
1
4232
84
ARG
CB
41.12
1
4232
11
ARG
CB
41.16
1
5340
125
ARG
CB
41.58
.
6025
81
ARG
CB
41.617
1
5340
14
ARG
CB
42.14
.
7257
77
ARG
CB
42.504
1
17640
169
ARG
CB
42.58
1
18321
11
ARG
CB
43.0145
1
16701
147
ARG
CB
43.894
1
16937
157
ARG
CB
44.439
1
4214
20
ARG
CB
44.798
.
15083
50
ARG
CB
53.577
1
18601
22
ARG
CB
53.751
1
18601
293
ARG
CB
53.804
1
18601
159
ARG
CB
54.14
1
18601
82
ARG
CB
54.315
1
18601
97
ARG
CB
54.413
1
16729
232
ARG
CB
62.535
1
16729
106
ARG
CB
63.82
1
16729
126
ARG
CB
64.303
1
4074
89
ARG
CB
65.5
1
16729
80
ARG
CB
67.62
1
4106
186
ARG
CB
68.433
.
4150
109
ARG
CB
71.511
.
4150
65
ARG
CB
71.861
.
4150
46
ARG
CB
72.263
.
4150
82
ARG
CB
72.623
.
4150
84
ARG
CB
72.626
.
5179
73
ARG
CB
78.28
.
5179
37
ARG
CB
78.28
.
5179
2
ARG
CB
78.58
.
5179
59
ARG
CB
82.18
.


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
17693
12
ARG
CB
17.736
1
6769
20
ARG
CB
20.954
1
6586
93
ARG
CB
21.334
1
6586
122
ARG
CB
21.9
1
6586
89
ARG
CB
21.971
1
5288
31
ARG
CB
22
1
6586
104
ARG
CB
22.113
1
6586
124
ARG
CB
22.113
1
6586
120
ARG
CB
22.183
1
11494
211
ARG
CB
22.268
1
11493
211
ARG
CB
22.328
1
17660
70
ARG
CB
22.477
1
17236
73
ARG
CB
22.5
1
6586
128
ARG
CB
22.679
1
17543
26
ARG
CB
23.007
1
6374
15
ARG
CB
23.047
.
7267
90
ARG
CB
23.359
1
7275
90
ARG
CB
23.359
1
7250
90
ARG
CB
23.359
1
17236
80
ARG
CB
23.4
1
6451
29
ARG
CB
23.42
1
15116
90
ARG
CB
23.443
1
18048
53
ARG
CB
23.5
1
17162
67
ARG
CB
23.549
1
17529
38
ARG
CB
23.564
1
18373
33
ARG
CB
23.67
1
15820
60
ARG
CB
23.73
.
17755
75
ARG
CB
23.736
1
6586
25
ARG
CB
23.742
1
15114
90
ARG
CB
23.8
1
7309
91
ARG
CB
23.8
1
15941
44
ARG
CB
23.834
1
7417
37
ARG
CB
23.882
1
17781
147
ARG
CB
23.965
1
16299
66
ARG
CB
24
1
5312
45
ARG
CB
24
1
5616
74
ARG
CB
24.006
1
7359
97
ARG
CB
24.04
1
7360
97
ARG
CB
24.074
1
4621
68
ARG
CB
24.1
.
4040
23
ARG
CB
24.1
1