THR CA Chemical Shift Outliers

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THR CA Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
40788
62.239
43.391
72.797
2.578


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
19236
88
THR
CA
69.997
1
27045
3
THR
CA
70
1
25305
80
THR
CA
70
1
19325
151
THR
CA
70
1
5233
67
THR
CA
70.01
1
19220
58
THR
CA
70.11
1
15706
224
THR
CA
70.113
1
34085
22
THR
CA
70.166
1
19697
1
THR
CA
70.18
1
27392
301
THR
CA
70.343
1
19842
112
THR
CA
70.397
1
16538
18
THR
CA
70.58
1
36051
1
THR
CA
70.63
1
16542
18
THR
CA
70.67
1
18296
87
THR
CA
70.731
1
5974
26
THR
CA
70.98
1
7420
49
THR
CA
71.718
1
19165
59
THR
CA
71.7902
1
36045
59
THR
CA
72
.
19342
1
THR
CA
72.579
1
5860
28
THR
CA
72.797
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
27249
64
THR
CA
43.391
.
19063
90
THR
CA
48.009
.
25930
28
THR
CA
49.168
1
19063
29
THR
CA
49.737
.
25970
117
THR
CA
50.252
.
27631
143
THR
CA
51.024
.
27631
163
THR
CA
51.058
.
19063
54
THR
CA
51.119
.
27631
142
THR
CA
51.299
.
19063
94
THR
CA
51.534
.
5514
230
THR
CA
51.61
1
6627
23
THR
CA
51.7
1
5511
138
THR
CA
51.93
1
25157
121
THR
CA
52.532
1
7136
40
THR
CA
52.56
.
4331
64
THR
CA
52.6
1
5382
149
THR
CA
52.83
.
27631
80
THR
CA
52.897
.
4097
52
THR
CA
52.9
1
17722
278
THR
CA
53.115
.
26715
12
THR
CA
53.147
1
26751
29
THR
CA
53.2025
1
27631
233
THR
CA
53.39
.
15722
83
THR
CA
53.394
1
27859
200
THR
CA
53.4
.
19325
168
THR
CA
53.48
1
25413
195
THR
CA
53.5
.
7325
114
THR
CA
53.549
.
5547
25
THR
CA
53.7
1
19308
117
THR
CA
53.799
1
19307
117
THR
CA
53.799
1
16940
175
THR
CA
53.93
1
6193
25
THR
CA
53.946
1
16062
7
THR
CA
53.988
1
26792
48
THR
CA
54
1
25026
6
THR
CA
54.057
1
26792
26
THR
CA
54.1
1
5075
60
THR
CA
54.2
1
5511
125
THR
CA
54.21
1
26617
25
THR
CA
54.362
1
6111
53
THR
CA
54.39
1
6011
110
THR
CA
54.4
1
15059
157
THR
CA
54.479
1