LYS HE3 Chemical Shift Outliers

___________________________________________________
LYS HE3 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
8817
2.916
1.13
4.55
0.199


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
6272
54
LYS
HE3
3.52
1
5678
54
LYS
HE3
3.53
1
6003
158
LYS
HE3
3.532
1
4879
140
LYS
HE3
3.55
1
4848
198
LYS
HE3
3.55
.
6004
152
LYS
HE3
3.56
1
1633
29
LYS
HE3
3.6
2
15305
5
LYS
HE3
3.614
1
15305
5
LYS
HE3
3.614
1
6013
58
LYS
HE3
3.62
1
4589
88
LYS
HE3
3.62
.
7064
12
LYS
HE3
3.637
4
7064
30
LYS
HE3
3.639
1
5566
100
LYS
HE3
3.64
1
4574
62
LYS
HE3
3.65
1
932
6
LYS
HE3
3.68
2
5943
16
LYS
HE3
3.71
1
4142
11
LYS
HE3
3.73
1
4797
32
LYS
HE3
3.74
2
4267
16
LYS
HE3
3.77
1
4821
53
LYS
HE3
3.788
1
4098
49
LYS
HE3
3.83
2
4001
49
LYS
HE3
3.9
1
4179
10
LYS
HE3
3.92
1
5402
42
LYS
HE3
3.94
1
5100
20
LYS
HE3
3.96
1
5100
20
LYS
HE3
3.99
1
4832
55
LYS
HE3
4.07
.
4832
27
LYS
HE3
4.07
.
6118
23
LYS
HE3
4.1
1
5213
18
LYS
HE3
4.141
1
4271
23
LYS
HE3
4.18
1
4417
54
LYS
HE3
4.32
1
6826
42
LYS
HE3
4.55
2


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
6001
37
LYS
HE3
1.13
2
7105
135
LYS
HE3
1.236
2
6469
49
LYS
HE3
1.353
2
5844
16
LYS
HE3
1.431
2
4336
102
LYS
HE3
1.49
2
15603
28
LYS
HE3
1.513
2
6999
3
LYS
HE3
1.52
2
7025
46
LYS
HE3
1.56
2
15085
65
LYS
HE3
1.58
1
6582
53
LYS
HE3
1.59
2
5388
9
LYS
HE3
1.61
2
6280
31
LYS
HE3
1.613
2
4774
40
LYS
HE3
1.65
1
7105
51
LYS
HE3
1.661
2
5502
13
LYS
HE3
1.665
1
4681
3
LYS
HE3
1.67
.
6159
104
LYS
HE3
1.69
2
4969
98
LYS
HE3
1.7
2
4381
63
LYS
HE3
1.746
2
7203
26
LYS
HE3
1.751
.
4079
56
LYS
HE3
1.78
1
15003
19
LYS
HE3
1.784
2
4722
64
LYS
HE3
1.79
1
4052
9
LYS
HE3
1.8
.
1696
16
LYS
HE3
1.8
1
4682
3
LYS
HE3
1.81
.
6226
57
LYS
HE3
1.82
2
4858
29
LYS
HE3
1.83
2
6731
60
LYS
HE3
1.847
2
5875
31
LYS
HE3
1.847
2
5605
54
LYS
HE3
1.85
2
5162
24
LYS
HE3
1.85
2
15034
105
LYS
HE3
1.85
2
4562
1
LYS
HE3
1.86
2
4893
83
LYS
HE3
1.86
1
15373
52
LYS
HE3
1.88
2
5004
89
LYS
HE3
1.88
1
4682
41
LYS
HE3
1.88
.
6988
37
LYS
HE3
1.893
2
5539
49
LYS
HE3
1.9
2
5579
40
LYS
HE3
1.9
.
10006
93
LYS
HE3
1.913
2
6159
188
LYS
HE3
1.92
2
6376
48
LYS
HE3
1.925
2
6583
26
LYS
HE3
1.93
1
15568
63
LYS
HE3
1.935
2
6593
9
LYS
HE3
1.935
1
6280
270
LYS
HE3
1.942
2
6410
15
LYS
HE3
1.956
2
5821
26
LYS
HE3
1.96
2
5707
25
LYS
HE3
1.96
2
5823
26
LYS
HE3
1.96
2
15528
112
LYS
HE3
1.962
2
7324
25
LYS
HE3
1.964
1
5536
9
LYS
HE3
1.966
2
7022
78
LYS
HE3
1.974
2
4639
34
LYS
HE3
1.981
2
4775
75
LYS
HE3
1.99
2
5319
41
LYS
HE3
1.99
1
5078
60
LYS
HE3
2
2
4758
43
LYS
HE3
2
1
5622
28
LYS
HE3
2
1
4603
75
LYS
HE3
2
2
7119
164
LYS
HE3
2.002
2
4417
97
LYS
HE3
2.01
2
5630
52
LYS
HE3
2.02
2
4110
69
LYS
HE3
2.02
2
4233
34
LYS
HE3
2.0253
2
4234
19
LYS
HE3
2.029
2
4233
25
LYS
HE3
2.0292
2
4234
40
LYS
HE3
2.0294
2
4160
54
LYS
HE3
2.04
2
4774
45
LYS
HE3
2.04
1
4403
10
LYS
HE3
2.04
2
5009
98
LYS
HE3
2.041
.
15407
36
LYS
HE3
2.043
2
15288
96
LYS
HE3
2.05
2
5232
41
LYS
HE3
2.05
1
6781
45
LYS
HE3
2.06
1
5982
83
LYS
HE3
2.06
.
4288
63
LYS
HE3
2.06
2
2169
41
LYS
HE3
2.06
9
5701
34
LYS
HE3
2.069
2
4184
32
LYS
HE3
2.07
2
5529
45
LYS
HE3
2.074
.
4638
44
LYS
HE3
2.074
.
6291
49
LYS
HE3
2.08
2
6576
16
LYS
HE3
2.08
2
6576
16
LYS
HE3
2.08
2
5381
41
LYS
HE3
2.09
1
5982
34
LYS
HE3
2.09
.
1696
140
LYS
HE3
2.09
2
5764
4
LYS
HE3
2.1
1
6022
12
LYS
HE3
2.1
1
7231
99
LYS
HE3
2.102
4
6280
116
LYS
HE3
2.108
2
15335
64
LYS
HE3
2.114
2
5056
41
LYS
HE3
2.125
2
6705
97
LYS
HE3
2.13
.
5349
56
LYS
HE3
2.14
1
5623
32
LYS
HE3
2.142
1
15002
68
LYS
HE3
2.143
.
4562
96
LYS
HE3
2.15
1
6711
118
LYS
HE3
2.15
1
4972
41
LYS
HE3
2.15
2
5803
97
LYS
HE3
2.15
2
4572
68
LYS
HE3
2.15
1
6415
97
LYS
HE3
2.15
2
15329
76
LYS
HE3
2.153
2
5048
41
LYS
HE3
2.16
1
7002
4
LYS
HE3
2.16
2
5329
17
LYS
HE3
2.16
2
5069
97
LYS
HE3
2.17
2
5128
35
LYS
HE3
2.17
4
15536
54
LYS
HE3
2.172
2
15280
72
LYS
HE3
2.173
1
4472
7
LYS
HE3
2.19
2
5241
54
LYS
HE3
2.19
1
4052
133
LYS
HE3
2.19
.
5807
97
LYS
HE3
2.19
2
4145
32
LYS
HE3
2.191
1
7036
32
LYS
HE3
2.192
2
11033
81
LYS
HE3
2.198
2
4382
50
LYS
HE3
2.2
2
4681
41
LYS
HE3
2.2
.
6510
119
LYS
HE3
2.2
1
4371
46
LYS
HE3
2.205
.
6576
7
LYS
HE3
2.21
2
6576
7
LYS
HE3
2.21
2
7281
13
LYS
HE3
2.21
1
4083
6
LYS
HE3
2.22
2
6393
11
LYS
HE3
2.22
1
7242
8
LYS
HE3
2.224
2
15074
45
LYS
HE3
2.225
1
6854
10
LYS
HE3
2.226
1
5615
58
LYS
HE3
2.23
2
4828
88
LYS
HE3
2.23
.
6725
106
LYS
HE3
2.23
1
6333
66
LYS
HE3
2.235
2
4715
28
LYS
HE3
2.239
2
11032
79
LYS
HE3
2.246
2
6135
5
LYS
HE3
2.247
1
5623
65
LYS
HE3
2.248
1
5867
38
LYS
HE3
2.249
1
5567
9
LYS
HE3
2.26
1
6392
11
LYS
HE3
2.26
1
6563
4
LYS
HE3
2.265
1
5397
28
LYS
HE3
2.27
1
6443
126
LYS
HE3
2.27
2
4278
78
LYS
HE3
2.27
1
6454
74
LYS
HE3
2.27
2
4491
70
LYS
HE3
2.28
2
4092
96
LYS
HE3
2.28
2
6344
76
LYS
HE3
2.28
1
4140
70
LYS
HE3
2.28
2
6755
116
LYS
HE3
2.281
1
15322
74
LYS
HE3
2.285
2
15655
8
LYS
HE3
2.29
2
4722
37
LYS
HE3
2.29
1
5579
92
LYS
HE3
2.29
.
5622
27
LYS
HE3
2.29
1
4288
36
LYS
HE3
2.29
2
7252
6
LYS
HE3
2.29
2
6600
12
LYS
HE3
2.298
2
6256
94
LYS
HE3
2.3
2
1516
25
LYS
HE3
2.3
2
4101
168
LYS
HE3
2.3
2
15341
49
LYS
HE3
2.3
2
5068
34
LYS
HE3
2.3
2
4758
14
LYS
HE3
2.3
1
5194
28
LYS
HE3
2.3
2
4446
54
LYS
HE3
2.3
.
5650
78
LYS
HE3
2.303
1
5499
14
LYS
HE3
2.308
.
5804
34
LYS
HE3
2.31
2
15329
37
LYS
HE3
2.315
2