VAL N Chemical Shift Outliers

___________________________________________________
VAL N Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
53951
121.083
93.758
143.29
4.427


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
18588
31
VAL
N
134.39
1
15889
21
VAL
N
134.467
1
4111
153
VAL
N
134.5
1
15890
21
VAL
N
134.555
1
6163
48
VAL
N
134.592
.
18721
173
VAL
N
134.5956
.
27594
106
VAL
N
134.608
1
17723
96
VAL
N
134.616
1
6224
92
VAL
N
134.7
1
16385
90
VAL
N
134.703
1
5514
120
VAL
N
134.76
1
17909
173
VAL
N
134.81
1
5799
17
VAL
N
134.9
1
19160
87
VAL
N
134.954
1
19942
65
VAL
N
135.184
.
18665
93
VAL
N
135.199
1
17978
75
VAL
N
135.424
1
5514
112
VAL
N
135.49
1
16123
93
VAL
N
135.5
1
5577
85
VAL
N
135.566
.
4821
76
VAL
N
135.59
1
18013
99
VAL
N
135.714
1
18244
18
VAL
N
135.773
1
26608
180
VAL
N
135.798
1
18788
99
VAL
N
135.85
1
15901
93
VAL
N
135.935
1
1581
106
VAL
N
136
1
5578
86
VAL
N
136
.
1582
106
VAL
N
136
1
1584
100
VAL
N
136
1
16585
99
VAL
N
136.07
1
1583
100
VAL
N
136.1
1
189
106
VAL
N
136.1
1
4765
122
VAL
N
136.29
1
15373
2
VAL
N
136.29
1
15429
83
VAL
N
136.327
1
4098
83
VAL
N
136.4
1
15433
83
VAL
N
136.413
1
15434
83
VAL
N
136.413
1
5514
219
VAL
N
136.63
1
15891
21
VAL
N
136.667
1
26644
181
VAL
N
136.686
1
7210
41
VAL
N
136.697
1
1878
99
VAL
N
136.7
1
26717
58
VAL
N
136.7
1
496
99
VAL
N
136.8
1
4964
36
VAL
N
137.2
1
7126
36
VAL
N
137.31
1
4052
99
VAL
N
137.31
.
11471
55
VAL
N
138.355
.
5514
193
VAL
N
143.29
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
26800
29
VAL
N
100.194
1
27244
66
VAL
N
100.393
1
4127
53
VAL
N
101.5
1
6535
53
VAL
N
101.63
1
7193
53
VAL
N
101.999
1
26744
85
VAL
N
102.19
.
19560
130
VAL
N
102.4
1
15798
119
VAL
N
102.475
1
18422
30
VAL
N
102.5
1
27445
61
VAL
N
102.516
1
7003
130
VAL
N
102.671
1
4331
20
VAL
N
102.7
1
15797
119
VAL
N
102.749
1
16267
107
VAL
N
103.039
1
11010
85
VAL
N
103.055
1
16283
20
VAL
N
103.177
1
6970
85
VAL
N
103.19
1
16272
20
VAL
N
103.217
1
18339
198
VAL
N
103.294
1
26805
67
VAL
N
103.543
.
1582
46
VAL
N
103.6
1
1584
46
VAL
N
103.6
1
1583
46
VAL
N
103.6
1
17723
25
VAL
N
103.614
1
1581
46
VAL
N
103.7
1
5355
141
VAL
N
103.767
1
189
46
VAL
N
103.8
1
6140
292
VAL
N
103.84
1
5211
6
VAL
N
103.974
.
15607
292
VAL
N
103.982
1
18396
88
VAL
N
103.995
1
27241
73
VAL
N
104.014
1
27298
73
VAL
N
104.024
1
27211
214
VAL
N
104.152
1
4496
49
VAL
N
104.2
1
12018
53
VAL
N
104.23
1
19447
1
VAL
N
104.2422
1
5468
94
VAL
N
104.26
1
19744
121
VAL
N
104.287
1
19742
121
VAL
N
104.287
1
19616
47
VAL
N
104.309
1
5511
85
VAL
N
104.39
1
17916
54
VAL
N
104.47
1
18788
39
VAL
N
104.5
1
16395
213
VAL
N
104.51
1
10052
43
VAL
N
104.526
1
18137
35
VAL
N
104.527
1
18548
36
VAL
N
104.53
1
27403
171
VAL
N
104.546
1
18605
94
VAL
N
104.551
1
27160
171
VAL
N
104.551
1
4940
59
VAL
N
104.59
1
496
39
VAL
N
104.6
1
4318
43
VAL
N
104.61
1
27404
171
VAL
N
104.68
1
6221
55
VAL
N
104.69
1
18277
59
VAL
N
104.729
1
15702
108
VAL
N
104.8
1
5886
87
VAL
N
104.85
1
19083
105
VAL
N
104.885
.
4173
45
VAL
N
104.9
1
19885
105
VAL
N
104.928
.
16447
95
VAL
N
104.97
1
16464
95
VAL
N
104.97
1
10052
43
VAL
N
104.993
1
16982
106
VAL
N
104.999
1
5774
39
VAL
N
105
1
25330
89
VAL
N
105.041
1
30289
60
VAL
N
105.069
.
4793
109
VAL
N
105.1
1
7088
101
VAL
N
105.121
1
27191
119
VAL
N
105.1278
1
25231
133
VAL
N
105.148
1
34041
86
VAL
N
105.149
1
16451
95
VAL
N
105.19
1
27545
127
VAL
N
105.1945
1
18596
127
VAL
N
105.2
1
27546
125
VAL
N
105.2019
1
30327
82
VAL
N
105.218
1
34058
86
VAL
N
105.249
1
27544
127
VAL
N
105.2643
1
5688
59
VAL
N
105.27
1
5688
59
VAL
N
105.27
1
6577
101
VAL
N
105.281
1
19204
87
VAL
N
105.311
.
16412
86
VAL
N
105.332
1
17044
86
VAL
N
105.332
1
5785
45
VAL
N
105.36
1
27542
127
VAL
N
105.3713
1
16411
86
VAL
N
105.378
1
15001
40
VAL
N
105.399
1
4331
56
VAL
N
105.4
1
17510
115
VAL
N
105.41
1
6901
66
VAL
N
105.412
1
30034
86
VAL
N
105.5
1
17604
103
VAL
N
105.507
1
5067
73
VAL
N
105.52
1
16790
38
VAL
N
105.549
1
15614
52
VAL
N
105.55
1
16267
52
VAL
N
105.551
1
19839
88
VAL
N
105.571
1
19743
47
VAL
N
105.584
1
5688
59
VAL
N
105.6
1
5688
59
VAL
N
105.6
1
7192
32
VAL
N
105.6
1
6074
54
VAL
N
105.61
1
19744
47
VAL
N
105.718
1
19742
47
VAL
N
105.718
1
15617
181
VAL
N
105.738
1
19615
47
VAL
N
105.786
1
4102
151
VAL
N
105.8
1
15757
128
VAL
N
105.8
1
6132
33
VAL
N
105.8
1
25638
21
VAL
N
105.802
1
25904
40
VAL
N
105.815
1
27048
40
VAL
N
105.822
1
17653
52
VAL
N
105.83
1
15208
5
VAL
N
105.881
1
15887
21
VAL
N
105.891
1
5928
19
VAL
N
105.9
1
27733
56
VAL
N
105.951
1
6807
97
VAL
N
105.952
1
27392
309
VAL
N
105.98
1
16082
56
VAL
N
105.989
1
5123
100
VAL
N
106
.
19074
36
VAL
N
106
1
25495
28
VAL
N
106.013
1
4354
97
VAL
N
106.048
1
5067
60
VAL
N
106.05
1
7022
108
VAL
N
106.067
1
18774
193
VAL
N
106.08
1
6429
20
VAL
N
106.1
1
30288
28
VAL
N
106.1
1
7216
86
VAL
N
106.1
1
4077
55
VAL
N
106.1
1
25034
44
VAL
N
106.1144
1
6187
40
VAL
N
106.13
1
15396
40
VAL
N
106.14
.
11451
122
VAL
N
106.168
1
25511
43
VAL
N
106.1766
1
17025
55
VAL
N
106.182
1
34127
56
VAL
N
106.188
1
4265
92
VAL
N
106.19
1
25035
43
VAL
N
106.1978
1
15120
40
VAL
N
106.2
.
26607
129
VAL
N
106.2
1
5124
100
VAL
N
106.2
.
25616
94
VAL
N
106.2
1
5959
51
VAL
N
106.2
1
6449
20
VAL
N
106.2
1
4986
97
VAL
N
106.2
1
15395
40
VAL
N
106.221
.
18725
79
VAL
N
106.257
1
17209
309
VAL
N
106.275
1
27022
177
VAL
N
106.299
1
15219
24
VAL
N
106.3
1
27705
82
VAL
N
106.319
1
25859
45
VAL
N
106.34
1
7089
45
VAL
N
106.34
1
4447
14
VAL
N
106.342
1
19576
48
VAL
N
106.358
1
11138
48
VAL
N
106.367
1
6600
15
VAL
N
106.37
1
4987
97
VAL
N
106.4
1
4339
80
VAL
N
106.4
9
26851
183
VAL
N
106.406
1
27191
98
VAL
N
106.4228
1
15804
113
VAL
N
106.423
1
19508
56
VAL
N
106.427
1
17208
309
VAL
N
106.439
1
19576
48
VAL
N
106.44
1
5294
59
VAL
N
106.45
1
25127
124
VAL
N
106.458
1
26848
183
VAL
N
106.462
1
30126
19
VAL
N
106.48
1
19303
47
VAL
N
106.495
.
17039
13
VAL
N
106.5
1
27081
113
VAL
N
106.501
1
17210
309
VAL
N
106.505
1
26531
128
VAL
N
106.552
1
26564
121
VAL
N
106.56
1
27659
121
VAL
N
106.5747
1
27563
139
VAL
N
106.584
1
25221
32
VAL
N
106.597
1
5701
141
VAL
N
106.598
1
5866
58
VAL
N
106.6
1
5078
76
VAL
N
106.6
1
5833
31
VAL
N
106.6
1
26564
121
VAL
N
106.6
1
25329
89
VAL
N
106.628
1
5711
23
VAL
N
106.66
1
5924
56
VAL
N
106.668
1
15549
59
VAL
N
106.671
1
11354
47
VAL
N
106.676
1
15496
99
VAL
N
106.7
1
19229
46
VAL
N
106.705
1
19584
98
VAL
N
106.72
1
16741
56
VAL
N
106.72
.
11330
23
VAL
N
106.737
1
7019
32
VAL
N
106.75
1
10235
32
VAL
N
106.754
1
10239
87
VAL
N
106.773
1
16615
89
VAL
N
106.774
1
18874
41
VAL
N
106.783
1
10238
78
VAL
N
106.784
1
16001
30
VAL
N
106.791
1
6011
89
VAL
N
106.8
1
5893
70
VAL
N
106.8
1
26766
163
VAL
N
106.8
1
26951
164
VAL
N
106.807
1
19272
245
VAL
N
106.81
1
15277
35
VAL
N
106.83
1
15885
14
VAL
N
106.846
1
25834
47
VAL
N
106.862
1
10236
32
VAL
N
106.871
1
15587
57
VAL
N
106.872
1
27762
470
VAL
N
106.876
1
10237
32
VAL
N
106.878
1
4401
65
VAL
N
106.89
1
11353
37
VAL
N
106.899
1
5570
66
VAL
N
106.9
1
30288
64
VAL
N
106.924
1
15851
34
VAL
N
106.938
1
4306
88
VAL
N
106.94
1
11137
48
VAL
N
106.953
1
18280
29
VAL
N
106.96
1
27737
56
VAL
N
106.961
1
5689
61
VAL
N
106.962
1
10004
80
VAL
N
106.993
1
25620
94
VAL
N
107
1
18574
71
VAL
N
107
1
18963
36
VAL
N
107
1
5125
100
VAL
N
107.01
.
25032
72
VAL
N
107.012
.
18826
89
VAL
N
107.052
1
11569
111
VAL
N
107.055
1
5107
54
VAL
N
107.063
1
27458
40
VAL
N
107.067
1
15112
120
VAL
N
107.073
1
34126
56
VAL
N
107.078
1
16277
53
VAL
N
107.09
1
6052
54
VAL
N
107.1
1
18158
64
VAL
N
107.1
1
2542
125
VAL
N
107.1
1
17768
31
VAL
N
107.1
1
4022
31
VAL
N
107.1
1
16565
86
VAL
N
107.1
1
18246
146
VAL
N
107.111
1
25034
80
VAL
N
107.1272
1
5067
23
VAL
N
107.13
1
18245
146
VAL
N
107.138
1
15650
55
VAL
N
107.141
1
16838
63
VAL
N
107.144
1
18775
193
VAL
N
107.158
1
25757
57
VAL
N
107.164
1
11331
47
VAL
N
107.167
1
18575
71
VAL
N
107.17
1
17960
96
VAL
N
107.172
1
16832
62
VAL
N
107.2
1
16600
58
VAL
N
107.2
1
25172
102
VAL
N
107.204
1
4889
58
VAL
N
107.21
1
17026
52
VAL
N
107.215
1
18613
49
VAL
N
107.231
1
30326
98
VAL
N
107.246
1
25914
76
VAL
N
107.265
1
19601
66
VAL
N
107.282
1
5182
99
VAL
N
107.29
1
6838
120
VAL
N
107.292
1
17902
52
VAL
N
107.297
1
25026
104
VAL
N
107.3
1
4352
98
VAL
N
107.3
1
18156
32
VAL
N
107.3
1
6536
82
VAL
N
107.302
1
11263
68
VAL
N
107.313
1
6055
146
VAL
N
107.32
1
16634
31
VAL
N
107.33
1
15170
202
VAL
N
107.33
1
5606
19
VAL
N
107.37
1
18663
108
VAL
N
107.373
1
17852
158
VAL
N
107.374
1
17890
52
VAL
N
107.374
1
25495
64
VAL
N
107.386
1
27511
51
VAL
N
107.39
.
5187
65
VAL
N
107.39
1
16395
202
VAL
N
107.39
1
36111
60
VAL
N
107.391
.
5896
70
VAL
N
107.4
1
15518
109
VAL
N
107.4
1
5842
77
VAL
N
107.4
1
5398
157
VAL
N
107.4
1
17150
48
VAL
N
107.402
1
6549
101
VAL
N
107.41
.
5622
56
VAL
N
107.41
1
16638
89
VAL
N
107.414
1
4739
61
VAL
N
107.44
1
19551
171
VAL
N
107.471
1
16330
47
VAL
N
107.475
1
27859
31
VAL
N
107.5
.
19789
64
VAL
N
107.501
1
17499
97
VAL
N
107.524
1
4888
58
VAL
N
107.53
1
25511
79
VAL
N
107.5301
1
11086
104
VAL
N
107.538
1
5386
28
VAL
N
107.54
1
5078
26
VAL
N
107.54
1
25266
108
VAL
N
107.5449
1
7234
158
VAL
N
107.56
1
25035
79
VAL
N
107.5687
1
17851
158
VAL
N
107.581
1
26744
181
VAL
N
107.582
.
16740
56
VAL
N
107.59
.
16409
158
VAL
N
107.591
1
1584
67
VAL
N
107.6
1
6047
146
VAL
N
107.6
1
17570
165
VAL
N
107.633
1
27070
173
VAL
N
107.638
1
15901
60
VAL
N
107.639
1
16571
15
VAL
N
107.66
1
6948
67
VAL
N
107.67
1
18548
130
VAL
N
107.69
1
18359
77
VAL
N
107.694
1
7019
69
VAL
N
107.696
1
18788
66
VAL
N
107.7
1
1581
73
VAL
N
107.7
1
16964
106
VAL
N
107.7
1
4086
74
VAL
N
107.7
1
1583
67
VAL
N
107.7
1
1582
73
VAL
N
107.7
1
7124
34
VAL
N
107.7
1
15253
37
VAL
N
107.71
1
5738
65
VAL
N
107.714
1
5683
80
VAL
N
107.728
.
17026
32
VAL
N
107.733
1
4972
81
VAL
N
107.74
1
25732
75
VAL
N
107.744
.
11352
47
VAL
N
107.748
1
6645
37
VAL
N
107.75
1
10248
48
VAL
N
107.757
1
15981
34
VAL
N
107.763
1
4791
36
VAL
N
107.777
1
7035
10
VAL
N
107.779
.
17811
150
VAL
N
107.786
1
6539
82
VAL
N
107.787
1
4782
55
VAL
N
107.79
1
17020
20
VAL
N
107.8
1
189
73
VAL
N
107.8
1
27844
83
VAL
N
93.758
.
17231
105
VAL
N
97.22
1
27244
205
VAL
N
97.614
1
6748
43
VAL
N
97.95
.