THR N Chemical Shift Outliers

___________________________________________________
THR N Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
43914
115.343
95.77
138.274
4.712


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
27691
47
THR
N
129.522
1
19160
106
THR
N
129.527
1
11442
150
THR
N
129.584
1
4011
3
THR
N
129.6
9
18103
224
THR
N
129.617
1
17828
19
THR
N
129.632
1
19992
244
THR
N
129.644
1
7430
65
THR
N
129.658
1
5182
143
THR
N
129.69
1
15964
65
THR
N
129.733
1
19843
38
THR
N
129.769
.
6184
128
THR
N
129.801
1
15741
171
THR
N
129.806
1
25467
85
THR
N
129.87
1
19299
42
THR
N
129.925
1
15433
102
THR
N
129.985
1
15434
102
THR
N
129.985
1
6439
78
THR
N
129.987
1
25385
28
THR
N
130.0099
1
36161
27
THR
N
130.01
1
36077
32
THR
N
130.021
1
18250
78
THR
N
130.04
1
18375
99
THR
N
130.16
1
36078
32
THR
N
130.164
1
17829
122
THR
N
130.204
1
5514
97
THR
N
130.23
1
4784
48
THR
N
130.24
1
5659
39
THR
N
130.27
1
17736
54
THR
N
130.3
1
4035
42
THR
N
130.44
1
18234
111
THR
N
130.47
1
19958
73
THR
N
130.519
.
5048
85
THR
N
130.6
1
15545
82
THR
N
130.619
.
16464
190
THR
N
130.67
1
5319
85
THR
N
130.7
1
26977
168
THR
N
130.729
1
16447
190
THR
N
130.79
1
26855
138
THR
N
130.807
1
6150
95
THR
N
130.812
1
5936
113
THR
N
130.82
1
27467
43
THR
N
130.838
.
5506
106
THR
N
130.89
1
18541
79
THR
N
130.898
1
4242
90
THR
N
130.9
1
27511
52
THR
N
130.903
.
16229
28
THR
N
130.949
1
30375
156
THR
N
131.017
.
11467
98
THR
N
131.021
1
5382
113
THR
N
131.03
.
11384
34
THR
N
131.08
1
5541
58
THR
N
131.1
9
25259
107
THR
N
131.118
1
15028
15
THR
N
131.269
1
16451
190
THR
N
131.27
1
26715
16
THR
N
131.3
1
4678
65
THR
N
131.44
.
19927
111
THR
N
131.51
1
30043
112
THR
N
131.51
1
25642
118
THR
N
131.55
.
5506
21
THR
N
131.69
1
17551
50
THR
N
131.707
1
26745
85
THR
N
131.721
1
17376
219
THR
N
131.816
1
27141
36
THR
N
131.821
1
4599
27
THR
N
131.94
.
4497
27
THR
N
131.94
.
19082
206
THR
N
131.957
1
27512
13
THR
N
132.015
.
17005
33
THR
N
132.104
1
25731
557
THR
N
132.226
.
15009
100
THR
N
132.441
1
5062
184
THR
N
132.55
1
5062
80
THR
N
132.55
1
34178
48
THR
N
132.6
1
18682
150
THR
N
132.715
.
4705
145
THR
N
132.734
1
5284
67
THR
N
132.8
1
4704
145
THR
N
132.8
1
5285
67
THR
N
132.8
1
18775
135
THR
N
133.056
1
6376
133
THR
N
133.117
1
18373
150
THR
N
133.402
1
11547
9
THR
N
133.65
1
5578
84
THR
N
134
.
10095
35
THR
N
134.148
1
27381
29
THR
N
134.296
1
17668
40
THR
N
135.586
1
17596
14
THR
N
137.116
1
10056
37
THR
N
138.274
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
7063
47
THR
N
100.01
1
19681
183
THR
N
100.063
1
27522
76
THR
N
100.093
1
7428
59
THR
N
100.1
1
6922
11
THR
N
100.118
1
19842
130
THR
N
100.12
1
6304
44
THR
N
100.178
1
18266
115
THR
N
100.185
1
6297
74
THR
N
100.249
1
16146
59
THR
N
100.262
1
25576
55
THR
N
100.263
1
11399
60
THR
N
100.267
1
4171
30
THR
N
100.3
1
6722
71
THR
N
100.304
1
10316
88
THR
N
100.305
1
6631
31
THR
N
100.336
1
27573
53
THR
N
100.357
1
27051
62
THR
N
100.366
1
15762
38
THR
N
100.389
1
16611
41
THR
N
100.406
1
5462
54
THR
N
100.5
1
16673
156
THR
N
100.504
1
6482
41
THR
N
100.58
.
25132
111
THR
N
100.594
1
25602
35
THR
N
100.6
.
18533
70
THR
N
100.66
1
16355
75
THR
N
100.7
1
26969
65
THR
N
100.702
1
6481
41
THR
N
100.711
.
16885
9
THR
N
100.712
1
6480
41
THR
N
100.718
.
19235
22
THR
N
100.722
1
6483
41
THR
N
100.726
.
7375
597
THR
N
100.755
1
26767
50
THR
N
100.764
.
7365
40
THR
N
100.77
1
18647
186
THR
N
100.8151
1
11458
60
THR
N
100.827
1
30326
170
THR
N
100.882
1
11203
112
THR
N
100.889
1
15164
597
THR
N
100.894
1
17502
72
THR
N
100.925
1
27640
13
THR
N
100.934
1
10070
64
THR
N
100.939
1
25496
12
THR
N
100.949
1
4028
101
THR
N
100.97
1
7130
52
THR
N
101.01
1
11152
32
THR
N
101.048
1
5658
108
THR
N
101.1
1
30074
103
THR
N
101.1
1
5387
9
THR
N
101.1
1
30066
66
THR
N
101.151
.
18994
53
THR
N
101.175
1
26927
53
THR
N
101.181
1
26650
39
THR
N
101.189
1
11125
22
THR
N
95.77
1
10260
22
THR
N
95.772
1
12026
23
THR
N
96.548
1
11103
22
THR
N
96.999
1
27219
54
THR
N
97.27
1
27606
23
THR
N
97.427
1
4022
169
THR
N
97.7
1
16940
105
THR
N
97.73
1
25564
24
THR
N
97.756
1
11121
32
THR
N
97.834
1
27220
54
THR
N
98.3
1
6331
96
THR
N
98.303
1
16600
62
THR
N
98.5
1
6073
111
THR
N
98.54
.
19001
81
THR
N
98.633
9
25808
20
THR
N
98.68
1
6003
105
THR
N
98.682
1
10075
32
THR
N
98.709
1
34201
22
THR
N
98.71
1
17727
53
THR
N
98.895
.
17744
53
THR
N
98.895
1
27043
94
THR
N
99.036
1
4206
107
THR
N
99.14
1
25156
123
THR
N
99.2
1
27162
78
THR
N
99.242
1
27793
78
THR
N
99.244
1
10076
42
THR
N
99.321
1
30247
66
THR
N
99.328
.
25063
57
THR
N
99.52
1
27859
169
THR
N
99.6
.
5898
34
THR
N
99.6
1
16790
59
THR
N
99.63
1
17523
30
THR
N
99.634
1
19014
79
THR
N
99.772
1
25299
41
THR
N
99.798
1
27477
24
THR
N
99.7982
1
10062
40
THR
N
99.8
1
27563
170
THR
N
99.876
1