GLN HB2 Chemical Shift Outliers

___________________________________________________
GLN HB2 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
10052
2.046
-1.34
5.18
0.283


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
15378
81
GLN
HB2
2.899
2
4840
92
GLN
HB2
2.9
2
6971
131
GLN
HB2
2.92
2
5069
58
GLN
HB2
2.93
2
15229
91
GLN
HB2
2.944
.
15356
92
GLN
HB2
2.945
2
5596
69
GLN
HB2
2.947
2
15576
24
GLN
HB2
2.966
2
15584
102
GLN
HB2
3.004
2
4181
61
GLN
HB2
3.021
.
131
21
GLN
HB2
3.03
1
4636
100
GLN
HB2
3.04
.
4038
65
GLN
HB2
3.04
1
15063
3
GLN
HB2
3.122
2
4435
45
GLN
HB2
3.22
1
5269
43
GLN
HB2
3.24
1
5269
47
GLN
HB2
3.25
1
4435
40
GLN
HB2
3.42
2
6799
15
GLN
HB2
3.49
2
6634
16
GLN
HB2
3.55
2
5625
16
GLN
HB2
3.56
2
6967
18
GLN
HB2
3.69
2
5410
9
GLN
HB2
3.863
2
4155
59
GLN
HB2
4
2
5172
47
GLN
HB2
4.8
2
5239
16
GLN
HB2
5.18
4


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
5545
67
GLN
HB2
-.07
2
6910
81
GLN
HB2
-.12
1
7097
41
GLN
HB2
-.12
.
15063
56
GLN
HB2
-.134
2
6344
70
GLN
HB2
-.14
2
4311
138
GLN
HB2
-.216
1
5261
82
GLN
HB2
-.467
2
5365
61
GLN
HB2
-.647
2
15152
8
GLN
HB2
-.653
2
4087
67
GLN
HB2
-.7
2
15509
56
GLN
HB2
-1.14
2
6330
35
GLN
HB2
-1.34
1
15509
19
GLN
HB2
.07
2
4593
5
GLN
HB2
.093
2
7004
17
GLN
HB2
.1
2
126
60
GLN
HB2
.1
2
7137
53
GLN
HB2
.16
2
4786
100
GLN
HB2
.2
2
5261
57
GLN
HB2
.279
1
5027
88
GLN
HB2
.35
2
7166
47
GLN
HB2
.367
2
6419
33
GLN
HB2
.4
1
7219
135
GLN
HB2
.41
2
6453
47
GLN
HB2
.41
2
5224
90
GLN
HB2
.43
2
4436
40
GLN
HB2
.43
2
4959
123
GLN
HB2
.465
2
6359
46
GLN
HB2
.474
2
6990
118
GLN
HB2
.487
2
15265
25
GLN
HB2
.53
2
4900
43
GLN
HB2
.56
2
4153
59
GLN
HB2
.56
2
6711
114
GLN
HB2
.59
1
7127
50
GLN
HB2
.61
1
4901
19
GLN
HB2
.63
1
7150
46
GLN
HB2
.64
1
6295
139
GLN
HB2
.65
1
2999
47
GLN
HB2
.69
1
5225
54
GLN
HB2
.69
1
5397
10
GLN
HB2
.69
1
4084
36
GLN
HB2
.7
1
6361
64
GLN
HB2
.704
2
6343
60
GLN
HB2
.71
2
4560
86
GLN
HB2
.73
2
4464
5
GLN
HB2
.73
1
4682
45
GLN
HB2
.74
.
7206
15
GLN
HB2
.744
1
4788
24
GLN
HB2
.75
1
5745
53
GLN
HB2
.76
2
6331
16
GLN
HB2
.774
2
15270
104
GLN
HB2
.798
2
4681
45
GLN
HB2
.8
.
5194
134
GLN
HB2
.81
2
15369
243
GLN
HB2
.822
2
4469
5
GLN
HB2
.83
1
7053
57
GLN
HB2
.83
2
4150
44
GLN
HB2
.85
.
6571
44
GLN
HB2
.853
2
4259
47
GLN
HB2
.86
1
58
8
GLN
HB2
.86
2
5492
47
GLN
HB2
.87
1
5597
47
GLN
HB2
.88
1
6821
153
GLN
HB2
.898
.
6851
49
GLN
HB2
.903
.
5630
124
GLN
HB2
.92
2
4681
45
GLN
HB2
.92
.
5862
89
GLN
HB2
.93
1
4682
45
GLN
HB2
.94
.
4081
62
GLN
HB2
.95
1
15063
199
GLN
HB2
.952
2
6903
84
GLN
HB2
.956
1
6990
39
GLN
HB2
.956
2
5595
37
GLN
HB2
.96
2
5792
57
GLN
HB2
.96
2
15339
26
GLN
HB2
.962
2
15288
14
GLN
HB2
.97
2
4154
105
GLN
HB2
.97
1
4117
81
GLN
HB2
.97
2
2278
105
GLN
HB2
.97
1
7061
45
GLN
HB2
.98
.
434
116
GLN
HB2
.98
2
1061
116
GLN
HB2
.98
2
4818
140
GLN
HB2
.98
1
1062
115
GLN
HB2
.98
2
30
46
GLN
HB2
.99
2
15084
42
GLN
HB2
.991
2
6904
84
GLN
HB2
1
1
6177
86
GLN
HB2
1
2
5346
28
GLN
HB2
1.01
1
6760
111
GLN
HB2
1.01
2
4234
32
GLN
HB2
1.0267
2
4234
28
GLN
HB2
1.0298
2
15356
37
GLN
HB2
1.032
2
15542
117
GLN
HB2
1.037
2
4100
52
GLN
HB2
1.05
1
7382
21
GLN
HB2
1.052
.
4939
29
GLN
HB2
1.053
2
5794
36
GLN
HB2
1.053
2
7079
112
GLN
HB2
1.06
2
4715
25
GLN
HB2
1.064
1
7110
70
GLN
HB2
1.07
.
4681
5
GLN
HB2
1.07
.
15603
44
GLN
HB2
1.071
2
6502
65
GLN
HB2
1.079
1
15173
51
GLN
HB2
1.083
2
6385
71
GLN
HB2
1.084
1
10006
48
GLN
HB2
1.095
2
5237
67
GLN
HB2
1.1
2
4380
25
GLN
HB2
1.117
2
5833
151
GLN
HB2
1.12
2
5483
103
GLN
HB2
1.124
2
4848
171
GLN
HB2
1.13
.
4282
48
GLN
HB2
1.13
2
2856
26
GLN
HB2
1.14
1
4860
98
GLN
HB2
1.14
2
7104
95
GLN
HB2
1.14
2
7032
40
GLN
HB2
1.15
2
4857
84
GLN
HB2
1.15
2
5333
16
GLN
HB2
1.15
2
15627
40
GLN
HB2
1.159
1
5145
63
GLN
HB2
1.16
2
5141
93
GLN
HB2
1.16
1
5876
197
GLN
HB2
1.165
1
15382
45
GLN
HB2
1.17
.
7058
25
GLN
HB2
1.18
1
80
46
GLN
HB2
1.19
2
5223
36
GLN
HB2
1.193
.
5787
7
GLN
HB2
1.193
1