PRO HB2 Chemical Shift Outliers

___________________________________________________
PRO HB2 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
21709
2.076
-.75
4.59
0.342


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
7364
67
PRO
HB2
3.107
2
18428
82
PRO
HB2
3.132
2
18539
110
PRO
HB2
3.18
2
4159
66
PRO
HB2
3.188
2
4838
69
PRO
HB2
3.2
1
17952
45
PRO
HB2
3.206
2
4466
80
PRO
HB2
3.214
1
11299
22
PRO
HB2
3.214
2
5974
101
PRO
HB2
3.216
2
280
53
PRO
HB2
3.25
2
18443
80
PRO
HB2
3.284
2
4838
53
PRO
HB2
3.3
1
19671
58
PRO
HB2
3.42
2
19641
58
PRO
HB2
3.47
2
2283
39
PRO
HB2
3.49
2
18046
68
PRO
HB2
3.55
2
2031
101
PRO
HB2
3.56
2
4652
12
PRO
HB2
3.6
.
2283
18
PRO
HB2
3.6
1
6079
56
PRO
HB2
3.618
1
17825
36
PRO
HB2
3.664
2
1338
17
PRO
HB2
3.67
2
1339
17
PRO
HB2
3.69
2
16719
66
PRO
HB2
3.785
2
6079
40
PRO
HB2
3.801
1
5663
6
PRO
HB2
3.83
.
6147
30
PRO
HB2
4.02
1
10265
22
PRO
HB2
4.351
2
25934
15
PRO
HB2
4.59
2


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
25652
41
PRO
HB2
-.001
2
25833
53
PRO
HB2
-.08
2
6178
39
PRO
HB2
-.09
2
16235
24
PRO
HB2
-.092
.
16549
10
PRO
HB2
-.092
2
10284
32
PRO
HB2
-.099
2
18971
4
PRO
HB2
-.175
2
16675
104
PRO
HB2
-.189
2
15242
25
PRO
HB2
-.208
.
16231
54
PRO
HB2
-.249
1
4528
48
PRO
HB2
-.28
2
4527
48
PRO
HB2
-.28
2
25293
3
PRO
HB2
-.298
2
6287
23
PRO
HB2
-.3
2
18081
21
PRO
HB2
-.308
2
6149
72
PRO
HB2
-.33
2
25124
48
PRO
HB2
-.333
2
25125
48
PRO
HB2
-.338
2
6688
132
PRO
HB2
-.45
1
11530
56
PRO
HB2
-.472
2
30139
130
PRO
HB2
-.75
1
25636
58
PRO
HB2
.003
.
7189
125
PRO
HB2
.01
2
15757
127
PRO
HB2
.02
1
4868
9
PRO
HB2
.03
2
15211
15
PRO
HB2
.03
2
4418
43
PRO
HB2
.04
2
11591
79
PRO
HB2
.047
2
19957
72
PRO
HB2
.068
1
4855
9
PRO
HB2
.07
2
2169
9
PRO
HB2
.07
2
5171
9
PRO
HB2
.08
.
6114
53
PRO
HB2
.09
2
48
9
PRO
HB2
.09
2
11057
56
PRO
HB2
.093
1
49
9
PRO
HB2
.1
2
1479
8
PRO
HB2
.11
2
18188
59
PRO
HB2
.116
2
34057
51
PRO
HB2
.119
.
1480
8
PRO
HB2
.13
2
19957
24
PRO
HB2
.134
1
6456
59
PRO
HB2
.15
2
17074
107
PRO
HB2
.156
2
4419
43
PRO
HB2
.17
2
16236
63
PRO
HB2
.17
2
1062
77
PRO
HB2
.19
2
17076
107
PRO
HB2
.192
2
15960
72
PRO
HB2
.2
.
481
36
PRO
HB2
.21
2
16934
75
PRO
HB2
.212
2
6712
6
PRO
HB2
.235
2
25149
60
PRO
HB2
.237
2
19287
9
PRO
HB2
.24
2
5381
9
PRO
HB2
.25
1
16569
83
PRO
HB2
.252
2
18400
27
PRO
HB2
.255
2
6533
26
PRO
HB2
.256
2
45
9
PRO
HB2
.27
2
480
36
PRO
HB2
.28
2
6297
76
PRO
HB2
.281
2
6731
90
PRO
HB2
.286
2
19687
23
PRO
HB2
.292
2
16494
71
PRO
HB2
.3
2
1061
78
PRO
HB2
.31
2
88
43
PRO
HB2
.32
2
16493
71
PRO
HB2
.32
2
15783
72
PRO
HB2
.325
.
17031
83
PRO
HB2
.33
2
17539
37
PRO
HB2
.335
2
17540
33
PRO
HB2
.335
2
18499
33
PRO
HB2
.335
2
19735
136
PRO
HB2
.344
1
6199
168
PRO
HB2
.35
2
25326
106
PRO
HB2
.361
.
17320
7
PRO
HB2
.367
2
16061
12
PRO
HB2
.369
2
6084
43
PRO
HB2
.37
2
16018
68
PRO
HB2
.385
2
18826
104
PRO
HB2
.39
2
16818
34
PRO
HB2
.402
2
16848
34
PRO
HB2
.402
2
5595
46
PRO
HB2
.41
2
4815
43
PRO
HB2
.42
2
15028
106
PRO
HB2
.428
2
10092
73
PRO
HB2
.438
2
5820
68
PRO
HB2
.438
.
18850
101
PRO
HB2
.446
2
4737
68
PRO
HB2
.447
1
27033
13
PRO
HB2
.448
2
4820
34
PRO
HB2
.45
2
18604
72
PRO
HB2
.455
2
18599
13
PRO
HB2
.458
2
15627
56
PRO
HB2
.461
1
16428
68
PRO
HB2
.462
2
34030
105
PRO
HB2
.47
2
5050
11
PRO
HB2
.47
2
15796
63
PRO
HB2
.47
2
6460
119
PRO
HB2
.474
2
25259
150
PRO
HB2
.475
2
25883
49
PRO
HB2
.508
2
19712
35
PRO
HB2
.519
.
11546
65
PRO
HB2
.519
2
7327
12
PRO
HB2
.522
.
30501
61
PRO
HB2
.527
.
17435
26
PRO
HB2
.534
2
16413
86
PRO
HB2
.573
2
34039
44
PRO
HB2
.573
1
11155
9
PRO
HB2
.577
2
16883
8
PRO
HB2
.578
2
16691
43
PRO
HB2
.58
2
11180
36
PRO
HB2
.582
2
10273
67
PRO
HB2
.588
2
16607
46
PRO
HB2
.588
2
4327
27
PRO
HB2
.59
2
15211
85
PRO
HB2
.59
2
25829
49
PRO
HB2
.611
2
16638
104
PRO
HB2
.617
2
5459
47
PRO
HB2
.62
1
19287
2
PRO
HB2
.625
2
11160
30
PRO
HB2
.626
2
30139
18
PRO
HB2
.63
1
15415
22
PRO
HB2
.64
2
25453
70
PRO
HB2
.643
2
19085
11
PRO
HB2
.643
1
11323
16
PRO
HB2
.644
2
17359
32
PRO
HB2
.649
1
1723
12
PRO
HB2
.65
2
25210
86
PRO
HB2
.654
1
18533
20
PRO
HB2
.66
2
5819
31
PRO
HB2
.66
2
4919
109
PRO
HB2
.665
1
16380
41
PRO
HB2
.667
2
6711
69
PRO
HB2
.67
1
15770
79
PRO
HB2
.68
2
11222
63
PRO
HB2
.685
1
6944
50
PRO
HB2
.686
.
18502
32
PRO
HB2
.688
2
18500
32
PRO
HB2
.689
2
17543
33
PRO
HB2
.689
2
15770
79
PRO
HB2
.69
2
4703
14
PRO
HB2
.69
2
30388
17
PRO
HB2
.7
.
27086
43
PRO
HB2
.701
1
30172
44
PRO
HB2
.701
1
19801
46
PRO
HB2
.702
2
4715
33
PRO
HB2
.714
1
25789
16
PRO
HB2
.755
2
19459
11
PRO
HB2
.755
.
17623
123
PRO
HB2
.759
2
16803
18
PRO
HB2
.759
2
7110
34
PRO
HB2
.76
.
5506
7
PRO
HB2
.76
1
30098
43
PRO
HB2
.761
2
25000
37
PRO
HB2
.766
2
10028
43
PRO
HB2
.766
2
34125
43
PRO
HB2
.768
1
17085
43
PRO
HB2
.769
2
1866
25
PRO
HB2
.77
2
15498
61
PRO
HB2
.777
2
19453
52
PRO
HB2
.78
.
25658
55
PRO
HB2
.785
2
18197
79
PRO
HB2
.785
2
5661
73
PRO
HB2
.8
2
15139
36
PRO
HB2
.8
2
7305
54
PRO
HB2
.8
2
16623
12
PRO
HB2
.807
.
5038
64
PRO
HB2
.81
2
6901
83
PRO
HB2
.812
2
15670
32
PRO
HB2
.816
2
10291
35
PRO
HB2
.816
2
17277
127
PRO
HB2
.824
2
11523
41
PRO
HB2
.825
2
10278
73
PRO
HB2
.825
2
6265
60
PRO
HB2
.83
2
7365
48
PRO
HB2
.83
1
6882
6
PRO
HB2
.833
2
17824
87
PRO
HB2
.833
2
30569
105
PRO
HB2
.834
1
6526
101
PRO
HB2
.8428227
2
26947
66
PRO
HB2
.844
2
25646
154
PRO
HB2
.85
2
6120
99
PRO
HB2
.85
1
2169
2
PRO
HB2
.85
2
6711
65
PRO
HB2
.86
1
18463
30
PRO
HB2
.863
2
5991
126
PRO
HB2
.868
2
26808
4
PRO
HB2
.868
2
18694
30
PRO
HB2
.869
2
11146
60
PRO
HB2
.873
2
15483
93
PRO
HB2
.874
2
5755
25
PRO
HB2
.878
1
4122
58
PRO
HB2
.88
2
4979
32
PRO
HB2
.88
1
6890
40
PRO
HB2
.88
2
16926
51
PRO
HB2
.88
.
16913
93
PRO
HB2
.88
2
6936
26
PRO
HB2
.884
2
18955
37
PRO
HB2
.886
2
15808
20
PRO
HB2
.889
2
16703
11
PRO
HB2
.89
1
25798
62
PRO
HB2
.896
1
6058
98
PRO
HB2
.9
2
4868
2
PRO
HB2
.9
2
5050
4
PRO
HB2
.9
1
17629
12
PRO
HB2
.905
2
17542
34
PRO
HB2
.909
2
17541
31
PRO
HB2
.909
2
5375
2
PRO
HB2
.91
1
5381
2
PRO
HB2
.91
1
17615
14
PRO
HB2
.91
2
25799
62
PRO
HB2
.913
1
10215
43
PRO
HB2
.918
2
25587
59
PRO
HB2
.919
2
5595
12
PRO
HB2
.92
2
7004
10
PRO
HB2
.92
2
5038
68
PRO
HB2
.92
1
16623
52
PRO
HB2
.92
.
11255
62
PRO
HB2
.927
2
5177
106
PRO
HB2
.93
2
6822
29
PRO
HB2
.93
1
16662
104
PRO
HB2
.933
2
25243
104
PRO
HB2
.936
.
18843
41
PRO
HB2
.936
2
16665
104
PRO
HB2
.937
2
16084
6
PRO
HB2
.94
2
4577
121
PRO
HB2
.94
2
4980
118
PRO
HB2
.94
2
4825
96
PRO
HB2
.94
2
30061
13
PRO
HB2
.947
2
18622
78
PRO
HB2
.95
2
15627
17
PRO
HB2
.95
2
6972
96
PRO
HB2
.95
2
16317
79
PRO
HB2
.951
2
25638
20
PRO
HB2
.952
2
17443
68
PRO
HB2
.952
1
5398
65
PRO
HB2
.9557
2
25865
35
PRO
HB2
.957
2
18197
116
PRO
HB2
.957
2
5950
69
PRO
HB2
.958
1
18623
78
PRO
HB2
.959
2
4370
118
PRO
HB2
.96
2
4384
139
PRO
HB2
.96
2
2198
84
PRO
HB2
.96
2
6777
56
PRO
HB2
.961
1
15173
5
PRO
HB2
.964
2
18502
6
PRO
HB2
.965
2
15016
13
PRO
HB2
.965
.
18500
6
PRO
HB2
.965
2
6807
40
PRO
HB2
.969
1
6711
28
PRO
HB2
.97
1
11083
23
PRO
HB2
.971
2
16704
11
PRO
HB2
.972
1
10223
12
PRO
HB2
.973
2
10265
110
PRO
HB2
.973
2
6779
38
PRO
HB2
.973
.
15160
20
PRO
HB2
.974
2
11342
68
PRO
HB2
.976
1
10131
86
PRO
HB2
.978
2
18677
50
PRO
HB2
.978
.
10214
43
PRO
HB2
.979
1
7179
12
PRO
HB2
.98
2
5880
9
PRO
HB2
.981
1
19726
110
PRO
HB2
.982
2
11217
55
PRO
HB2
.988
2
7189
16
PRO
HB2
.988
1
17277
70
PRO
HB2
.99
2
17443
116
PRO
HB2
.992
2
18526
89
PRO
HB2
.994
2
18971
37
PRO
HB2
.995
2
7286
42
PRO
HB2
.996
2
4045
16
PRO
HB2
1
2
18707
79
PRO
HB2
1
2
25391
166
PRO
HB2
1.004
2
7189
16
PRO
HB2
1.006
2
19168
53
PRO
HB2
1.006
2
11318
57
PRO
HB2
1.006
2
5297
86
PRO
HB2
1.01
2
4414
84
PRO
HB2
1.01
1
16647
17
PRO
HB2
1.01
2
1495
7
PRO
HB2
1.01
2
11357
47
PRO
HB2
1.01
2
11307
54
PRO
HB2
1.01
2
34281
16
PRO
HB2
1.01
2
11153
61
PRO
HB2
1.011
2
26066
7
PRO
HB2
1.012
.
6003
70
PRO
HB2
1.014
2
17902
79
PRO
HB2
1.015
2
6197
54
PRO
HB2
1.017
1
16705
11
PRO
HB2
1.018
1
25805
32
PRO
HB2
1.019
2
7170
11
PRO
HB2
1.02
1
17298
7
PRO
HB2
1.02
2
4893
97
PRO
HB2
1.02
2
17030
55
PRO
HB2
1.02
2
30047
52
PRO
HB2
1.023
2
15281
82
PRO
HB2
1.025
2
4233
12
PRO
HB2
1.0257
2
4234
17
PRO
HB2
1.028
2
4233
10
PRO
HB2
1.0283
2
1588
9
PRO
HB2
1.03
2
2928
117
PRO
HB2
1.03
2
27165
57
PRO
HB2
1.03
2
25995
40
PRO
HB2
1.032
2
27051
74
PRO
HB2
1.033
1
10325
96
PRO
HB2
1.038
2
6261
59
PRO
HB2
1.04
2
19439
50
PRO
HB2
1.04
2
25313
28
PRO
HB2
1.041
2
25744
49
PRO
HB2
1.041
2
6936
13
PRO
HB2
1.044
2
15797
87
PRO
HB2
1.048
2
6031
90
PRO
HB2
1.048
2