TYR CE1 Chemical Shift Outliers

___________________________________________________
TYR CE1 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
11444
117.706
40.435
177.717
4.147


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
25243
73
TYR
CE1
130.196
.
17076
76
TYR
CE1
130.26
3
16544
47
TYR
CE1
130.3
1
34248
121
TYR
CE1
130.304
1
6629
9
TYR
CE1
130.4
1
34202
92
TYR
CE1
130.459
.
6779
9
TYR
CE1
130.55
.
18966
107
TYR
CE1
130.583
3
18435
128
TYR
CE1
130.7
3
19961
46
TYR
CE1
130.84
1
18152
31
TYR
CE1
131.038
3
17109
31
TYR
CE1
131.038
3
4952
65
TYR
CE1
131.17
1
18462
79
TYR
CE1
131.419
1
447
98
TYR
CE1
131.6
1
4267
65
TYR
CE1
131.7
1
19967
48
TYR
CE1
131.944
1
25907
67
TYR
CE1
132.086
.
15813
97
TYR
CE1
132.1
.
11149
39
TYR
CE1
132.18
3
15530
27
TYR
CE1
132.21
1
6629
14
TYR
CE1
132.3
1
6779
14
TYR
CE1
132.377
.
4267
101
TYR
CE1
132.9
1
25453
104
TYR
CE1
132.93
3
4818
98
TYR
CE1
133
3
18876
58
TYR
CE1
133.077
1
18876
65
TYR
CE1
133.15
1
5532
80
TYR
CE1
133.197
1
6837
117
TYR
CE1
133.224
.
4405
75
TYR
CE1
133.23
1
4405
84
TYR
CE1
133.31
1
15325
5
TYR
CE1
133.414
.
27284
188
TYR
CE1
133.425
.
25453
128
TYR
CE1
133.793
3
7190
54
TYR
CE1
134.009
1
18356
162
TYR
CE1
134.4
1
16449
3
TYR
CE1
134.4
.
18356
122
TYR
CE1
134.5
1
34139
60
TYR
CE1
135.197
.
17109
93
TYR
CE1
135.823
3
5337
61
TYR
CE1
137.35
3
6571
71
TYR
CE1
137.42
3
4706
139
TYR
CE1
141.104
1
34216
13
TYR
CE1
149.609
.
34216
94
TYR
CE1
150.36
.
5631
72
TYR
CE1
154.1
1
4789
66
TYR
CE1
159.567
2
19428
10
TYR
CE1
177.717
.


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
16195
44
TYR
CE1
100.43
3
6385
10
TYR
CE1
100.654
1
6730
74
TYR
CE1
40.435
.
6730
13
TYR
CE1
41.427
.
6730
66
TYR
CE1
42.303
.
6730
80
TYR
CE1
42.303
.
18235
65
TYR
CE1
42.4
3
6308
43
TYR
CE1
42.513
.
6308
91
TYR
CE1
42.86
.
6308
76
TYR
CE1
42.933
.
6308
71
TYR
CE1
43.32
.
5467
102
TYR
CE1
44.44
1
16339
3
TYR
CE1
49.57
3
30322
191
TYR
CE1
50.994
1
5363
17
TYR
CE1
52.1
2
26552
90
TYR
CE1
53.8366
.
34022
65
TYR
CE1
53.8366
.
34234
39
TYR
CE1
53.84
.
16672
51
TYR
CE1
54.171
3
16672
94
TYR
CE1
54.337
3
16672
31
TYR
CE1
54.341
3
34022
6
TYR
CE1
54.6666
.
26552
124
TYR
CE1
54.6666
.
26552
31
TYR
CE1
54.6666
.
34022
99
TYR
CE1
54.6666
.
17073
51
TYR
CE1
56.82
3
16815
4
TYR
CE1
57.593
3
16814
23
TYR
CE1
58.025
3
25382
52
TYR
CE1
61.688
.
6072
61
TYR
CE1
61.9
1
6072
25
TYR
CE1
62.3
1
25382
46
TYR
CE1
62.636
.
5179
23
TYR
CE1
70.12
.
5179
77
TYR
CE1
70.72
.
6247
19
TYR
CE1
72.036
.
4641
72
TYR
CE1
73.1
.
34042
45
TYR
CE1
75.755
.
34042
85
TYR
CE1
76.925
.
34042
112
TYR
CE1
76.927
.
34042
25
TYR
CE1
77.375
.
34042
71
TYR
CE1
77.466
.
34042
15
TYR
CE1
77.555
.
34042
65
TYR
CE1
77.915
.
4150
45
TYR
CE1
78.094
.
34042
107
TYR
CE1
78.195
.
4150
93
TYR
CE1
78.257
.
4150
106
TYR
CE1
78.599
.
4150
79
TYR
CE1
78.958
.
34239
47
TYR
CE1
92.486
.
34239
11
TYR
CE1
92.892
.
16195
108
TYR
CE1
97.436
3
4368
76
TYR
CE1
98.8
3
16195
34
TYR
CE1
99.752
3