PRO HG3 Chemical Shift Outliers

___________________________________________________
PRO HG3 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
18561
1.892
-1.52
4.92
0.360


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
6686
67
PRO
HG3
3.02
.
4726
39
PRO
HG3
3.07
.
4129
95
PRO
HG3
3.1
2
5828
71
PRO
HG3
3.16
4
2060
18
PRO
HG3
3.18
1
1171
71
PRO
HG3
3.2
2
17062
40
PRO
HG3
3.242
2
4334
119
PRO
HG3
3.28
2
274
71
PRO
HG3
3.3
2
435
117
PRO
HG3
3.31
2
4998
71
PRO
HG3
3.35
2
4653
24
PRO
HG3
3.38
.
4744
34
PRO
HG3
3.39
.
4655
15
PRO
HG3
3.44
.
5625
36
PRO
HG3
3.45
2
5279
34
PRO
HG3
3.46
.
6413
5
PRO
HG3
3.491
2
6528
68
PRO
HG3
3.5
1
4653
18
PRO
HG3
3.5
.
5573
74
PRO
HG3
3.51
1
4651
13
PRO
HG3
3.51
.
434
118
PRO
HG3
3.54
2
4652
23
PRO
HG3
3.54
.
4466
96
PRO
HG3
3.6
1
6920
8
PRO
HG3
3.64
1
6528
35
PRO
HG3
3.66
1
4214
39
PRO
HG3
3.667
.
4777
69
PRO
HG3
3.67
1
16025
52
PRO
HG3
3.695
2
1991
33
PRO
HG3
3.71
2
4288
84
PRO
HG3
3.72
2
4042
25
PRO
HG3
3.72
1
11038
88
PRO
HG3
3.739
2
6003
79
PRO
HG3
3.742
1
274
76
PRO
HG3
3.77
2
4290
17
PRO
HG3
3.78
1
6634
36
PRO
HG3
3.79
2
4909
90
PRO
HG3
3.81
2
4652
7
PRO
HG3
3.83
.
4378
145
PRO
HG3
3.86
2
4637
14
PRO
HG3
3.9
2
5573
76
PRO
HG3
3.97
1
10221
40
PRO
HG3
4.418
1
287
67
PRO
HG3
4.92
1
17144
70
PRO
HG3
4.92
2


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
5304
26
PRO
HG3
-.01
2
16607
46
PRO
HG3
-.016
2
18734
55
PRO
HG3
-.016
1
18500
32
PRO
HG3
-.031
2
17543
33
PRO
HG3
-.031
2
16999
101
PRO
HG3
-.032
2
10284
32
PRO
HG3
-.039
2
5181
51
PRO
HG3
-.04
2
4127
112
PRO
HG3
-.05
2
1720
76
PRO
HG3
-.05
1
5466
22
PRO
HG3
-.051
.
18714
31
PRO
HG3
-.053
2
17147
28
PRO
HG3
-.055
2
18180
30
PRO
HG3
-.055
2
16372
30
PRO
HG3
-.056
2
17629
55
PRO
HG3
-.072
2
7123
19
PRO
HG3
-.089
2
5991
126
PRO
HG3
-.094
2
17711
42
PRO
HG3
-.1008
2
10288
31
PRO
HG3
-.107
2
10337
70
PRO
HG3
-.123
2
18015
28
PRO
HG3
-.124
2
18502
32
PRO
HG3
-.134
2
11007
33
PRO
HG3
-.138
1
15159
35
PRO
HG3
-.159
1
15289
78
PRO
HG3
-.164
1
15453
33
PRO
HG3
-.175
1
15806
33
PRO
HG3
-.176
2
5616
81
PRO
HG3
-.177
1
17902
95
PRO
HG3
-.185
2
80
28
PRO
HG3
-.19
1
11008
33
PRO
HG3
-.193
1
6810
46
PRO
HG3
-.2
2
15295
52
PRO
HG3
-.218
2
15020
17
PRO
HG3
-.245
2
5172
25
PRO
HG3
-.25
2
11222
63
PRO
HG3
-.265
2
10005
38
PRO
HG3
-.27
2
17545
32
PRO
HG3
-.281
2
6921
44
PRO
HG3
-.316
2
15948
55
PRO
HG3
-.32
1
17544
5
PRO
HG3
-.328
2
5352
107
PRO
HG3
-.33
2
11357
47
PRO
HG3
-.34
2
274
30
PRO
HG3
-.34
1
18501
6
PRO
HG3
-.345
2
18261
9
PRO
HG3
-.367
2
15007
14
PRO
HG3
-.37
2
18262
9
PRO
HG3
-.389
2
15270
28
PRO
HG3
-.395
2
16872
64
PRO
HG3
-.402
2
17544
31
PRO
HG3
-.425
2
18501
32
PRO
HG3
-.475
2
1194
35
PRO
HG3
-.5
1
4833
75
PRO
HG3
-.53
2
11342
68
PRO
HG3
-.541
2
5745
44
PRO
HG3
-.58
2
16372
69
PRO
HG3
-.603
2
4602
40
PRO
HG3
-.62
2
15765
24
PRO
HG3
-.673
2
6507
33
PRO
HG3
-.685
.
4777
28
PRO
HG3
-.69
1
6508
33
PRO
HG3
-.709
.
5455
28
PRO
HG3
-.73
2
4158
98
PRO
HG3
-.9
2
16443
2
PRO
HG3
-.935
2
1719
35
PRO
HG3
-1.02
1
17131
7
PRO
HG3
-1.09
2
16909
6
PRO
HG3
-1.139
2
18165
32
PRO
HG3
-1.147
2
6967
29
PRO
HG3
-1.29
9
10031
81
PRO
HG3
-1.348
2
17090
58
PRO
HG3
-1.454
2
16443
5
PRO
HG3
-1.52
2
6946
138
PRO
HG3
.01
2
4578
25
PRO
HG3
.01
2
15800
47
PRO
HG3
.01
2
16674
5
PRO
HG3
.023
2
1061
78
PRO
HG3
.03
2
1062
77
PRO
HG3
.03
2
5538
24
PRO
HG3
.04
1
4713
33
PRO
HG3
.041
2
6855
66
PRO
HG3
.045
2
5086
23
PRO
HG3
.05
2
374
30
PRO
HG3
.05
2
16093
92
PRO
HG3
.05
2
16681
71
PRO
HG3
.057
2
6342
26
PRO
HG3
.06
2
6456
59
PRO
HG3
.06
2
15575
32
PRO
HG3
.06
.
7114
40
PRO
HG3
.06
2
6727
70
PRO
HG3
.062
2
17763
15
PRO
HG3
.067
2
15153
35
PRO
HG3
.071
1
6459
35
PRO
HG3
.071
1
4963
41
PRO
HG3
.08
2
18498
32
PRO
HG3
.09
2
4435
81
PRO
HG3
.09
2
7365
48
PRO
HG3
.1
1
759
25
PRO
HG3
.1
2
17538
36
PRO
HG3
.1
2
16923
85
PRO
HG3
.104
2
17029
71
PRO
HG3
.109
2
15550
36
PRO
HG3
.11
1
7296
25
PRO
HG3
.112
2
922
76
PRO
HG3
.12
2
345
76
PRO
HG3
.12
1
5349
30
PRO
HG3
.12
2
1333
25
PRO
HG3
.12
2
15765
73
PRO
HG3
.123
2
17275
105
PRO
HG3
.125
2
4744
59
PRO
HG3
.125
.
1866
25
PRO
HG3
.13
2
10282
32
PRO
HG3
.138
2
17036
81
PRO
HG3
.146
2
11307
54
PRO
HG3
.157
1
18016
94
PRO
HG3
.16
2
16298
89
PRO
HG3
.16
2
11179
55
PRO
HG3
.164
2
11209
67
PRO
HG3
.164
2
6890
40
PRO
HG3
.17
2
10214
43
PRO
HG3
.172
2
11213
67
PRO
HG3
.173
2
17529
37
PRO
HG3
.174
2
10278
73
PRO
HG3
.174
2
15407
56
PRO
HG3
.175
2
17912
56
PRO
HG3
.177
2
15912
54
PRO
HG3
.18
2
16809
54
PRO
HG3
.18
2
6372
74
PRO
HG3
.18
2
17320
7
PRO
HG3
.187
2
45
9
PRO
HG3
.19
2
4960
25
PRO
HG3
.19
1
11225
57
PRO
HG3
.199
2
5459
47
PRO
HG3
.2
1
18662
53
PRO
HG3
.21
2
18971
37
PRO
HG3
.214
2
15510
55
PRO
HG3
.22
2
19110
72
PRO
HG3
.229
2
5381
9
PRO
HG3
.23
1
4312
33
PRO
HG3
.23
1
15510
55
PRO
HG3
.23
2
16251
92
PRO
HG3
.236
2
16805
25
PRO
HG3
.24
2
6434
47
PRO
HG3
.24
2
6197
54
PRO
HG3
.242
2
4743
34
PRO
HG3
.25
2
6149
72
PRO
HG3
.25
2
15912
54
PRO
HG3
.27
2
17144
29
PRO
HG3
.27
2
16809
54
PRO
HG3
.27
2
5388
66
PRO
HG3
.28
2
4871
95
PRO
HG3
.28
2
10296
32
PRO
HG3
.286
2
15351
54
PRO
HG3
.288
2
11217
55
PRO
HG3
.291
2
15577
79
PRO
HG3
.3
2
317
30
PRO
HG3
.3
2
4145
51
PRO
HG3
.307
2
11285
70
PRO
HG3
.309
2
6231
99
PRO
HG3
.31
2
15575
73
PRO
HG3
.311
.
17913
56
PRO
HG3
.313
2
16923
10
PRO
HG3
.315
2
16283
100
PRO
HG3
.322
2
6558
39
PRO
HG3
.325
.
16272
100
PRO
HG3
.328
2
6719
28
PRO
HG3
.331
.
16066
40
PRO
HG3
.335
2
10240
65
PRO
HG3
.338
2
16926
46
PRO
HG3
.34
.
5998
74
PRO
HG3
.34
2
11193
56
PRO
HG3
.341
2
6854
52
PRO
HG3
.344
2
11155
65
PRO
HG3
.347
2
16443
21
PRO
HG3
.352
2
11242
55
PRO
HG3
.354
2
17965
81
PRO
HG3
.359
2
4572
42
PRO
HG3
.36
2
1171
30
PRO
HG3
.36
2
16424
43
PRO
HG3
.361
2
6777
56
PRO
HG3
.362
1
16380
106
PRO
HG3
.366
2
10272
56
PRO
HG3
.368
2
16774
92
PRO
HG3
.37
1
6558
39
PRO
HG3
.379
.
5050
11
PRO
HG3
.38
2
11018
54
PRO
HG3
.38
2
11516
112
PRO
HG3
.38
2
6166
63
PRO
HG3
.3828
.
6171
63
PRO
HG3
.3828
.
15928
98
PRO
HG3
.384
2
6559
39
PRO
HG3
.385
.
6559
39
PRO
HG3
.385
.
5054
9
PRO
HG3
.4
2
17518
102
PRO
HG3
.406
1
16569
60
PRO
HG3
.408
2
4448
9
PRO
HG3
.41
2
6915
57
PRO
HG3
.41
2
5372
71
PRO
HG3
.41
2
17090
59
PRO
HG3
.418
2
6058
98
PRO
HG3
.42
2
4871
162
PRO
HG3
.42
2
17667
64
PRO
HG3
.42
2
16065
40
PRO
HG3
.42
2
15554
19
PRO
HG3
.421
2
15349
52
PRO
HG3
.421
2
10241
66
PRO
HG3
.423
2
16923
11
PRO
HG3
.428
2
15466
38
PRO
HG3
.43
2
15003
37
PRO
HG3
.43
2
4938
62
PRO
HG3
.43
2
5625
2
PRO
HG3
.44
2
18832
61
PRO
HG3
.44
.
18327
61
PRO
HG3
.44
2
6739
109
PRO
HG3
.45
2
10122
57
PRO
HG3
.45
2
11303
72
PRO
HG3
.453
2
6530
38
PRO
HG3
.457
2
11160
30
PRO
HG3
.458
2
7074
84
PRO
HG3
.46
2
11040
55
PRO
HG3
.462
2
4700
28
PRO
HG3
.464
2
17519
102
PRO
HG3
.467
1
4122
58
PRO
HG3
.47
1
4241
60
PRO
HG3
.47
1
18987
61
PRO
HG3
.47
2
11078
11
PRO
HG3
.477
2
15309
45
PRO
HG3
.477
2
4623
60
PRO
HG3
.48
1
11296
72
PRO
HG3
.48
2
15129
49
PRO
HG3
.484
1
6086
38
PRO
HG3
.486
2
11224
56
PRO
HG3
.487
2
15173
5
PRO
HG3
.487
2
11154
57
PRO
HG3
.489
2
346
35
PRO
HG3
.49
2
5631
37
PRO
HG3
.49
2
17890
95
PRO
HG3
.492
2
18711
11
PRO
HG3
.493
2
10283
32
PRO
HG3
.496
2
6721
28
PRO
HG3
.497
1
5366
61
PRO
HG3
.498
2
15309
45
PRO
HG3
.5
2
16674
24
PRO
HG3
.502
2
16053
54
PRO
HG3
.502
.
6467
21
PRO
HG3
.503
.
6797
42
PRO
HG3
.505
2
10063
60
PRO
HG3
.506
2
19295
32
PRO
HG3
.509
2
11318
57
PRO
HG3
.51
2
375
30
PRO
HG3
.51
2
7326
2
PRO
HG3
.51
.
15814
56
PRO
HG3
.512
2
10195
67
PRO
HG3
.516
2
10262
61
PRO
HG3
.517
2
19291
31
PRO
HG3
.519
2
11315
63
PRO
HG3
.519
1
5729
52
PRO
HG3
.52
1
16062
2
PRO
HG3
.524
2
5406
30
PRO
HG3
.525
1
15765
51
PRO
HG3
.531
2
19296
32
PRO
HG3
.532
2
6995
138
PRO
HG3
.54
2
11027
7
PRO
HG3
.54
2
6634
2
PRO
HG3
.54
2
18255
47
PRO
HG3
.54
2
17089
7
PRO
HG3
.54
2
19292
31
PRO
HG3
.542
2
15694
65
PRO
HG3
.542
2
15309
45
PRO
HG3
.543
2
11219
55
PRO
HG3
.546
2
4159
46
PRO
HG3
.547
1
149
30
PRO
HG3
.55
2
16473
64
PRO
HG3
.55
2
4475
21
PRO
HG3
.55
2
4837
75
PRO
HG3
.55
2
17443
28
PRO
HG3
.552
2
6189
51
PRO
HG3
.56
1
4966
43
PRO
HG3
.561
2
11194
61
PRO
HG3
.561
2
17824
87
PRO
HG3
.563
2
17688
83
PRO
HG3
.564
2
6370
21
PRO
HG3
.564
.
11351
75
PRO
HG3
.566
2
16070
34
PRO
HG3
.567
.
16088
34
PRO
HG3
.567
.
5248
37
PRO
HG3
.567
.
16623
12
PRO
HG3
.568
.
4242
121
PRO
HG3
.57
2
10011
80
PRO
HG3
.574
2
11214
64
PRO
HG3
.574
1
10028
43
PRO
HG3
.575
2
15016
13
PRO
HG3
.576
.
15289
26
PRO
HG3
.578
1
16483
24
PRO
HG3
.579
2
480
23
PRO
HG3
.58
2
481
23
PRO
HG3
.58
2
6395
35
PRO
HG3
.58
2
18499
33
PRO
HG3
.583
2
17539
37
PRO
HG3
.583
2
17540
33
PRO
HG3
.583
2
5968
47
PRO
HG3
.59
2
16385
71
PRO
HG3
.593
2
11294
88
PRO
HG3
.595
2
7187
89
PRO
HG3
.6
1
16480
21
PRO
HG3
.602
2
7306
54
PRO
HG3
.602
2
7075
32
PRO
HG3
.609
2
922
81
PRO
HG3
.61
2
345
81
PRO
HG3
.61
1
11027
47
PRO
HG3
.624
2
17089
47
PRO
HG3
.624
2
4384
139
PRO
HG3
.63
2
4121
28
PRO
HG3
.63
2
16692
51
PRO
HG3
.63
2
15356
14
PRO
HG3
.631
2
16018
68
PRO
HG3
.635
2
15958
46
PRO
HG3
.635
2
11026
62
PRO
HG3
.636
2
11323
16
PRO
HG3
.636
2
18434
26
PRO
HG3
.638
2
10211
68
PRO
HG3
.64
2
17146
70
PRO
HG3
.64
2
11102
93
PRO
HG3
.641
2
10285
42
PRO
HG3
.648
2
16622
62
PRO
HG3
.65
2
17456
28
PRO
HG3
.65
2
16773
127
PRO
HG3
.651
2
5867
55
PRO
HG3
.653
1
11043
62
PRO
HG3
.655
2
18119
57
PRO
HG3
.659
2
18840
54
PRO
HG3
.6601
2
18320
94
PRO
HG3
.661
2
5223
55
PRO
HG3
.661
.
15012
25
PRO
HG3
.665
2
6228
31
PRO
HG3
.668
2
16666
47
PRO
HG3
.669
2
4404
20
PRO
HG3
.67
2
17456
78
PRO
HG3
.671
2
10289
30
PRO
HG3
.671
2
10131
53
PRO
HG3
.672
2
7305
54
PRO
HG3
.674
1
17481
19
PRO
HG3
.675
1
16623
52
PRO
HG3
.679
.
11042
40
PRO
HG3
.679
2
16312
96
PRO
HG3
.68
2
16772
127
PRO
HG3
.687
2
5539
34
PRO
HG3
.69
2
18505
76
PRO
HG3
.69
2
6261
59
PRO
HG3
.69
2
16557
49
PRO
HG3
.69
2
5794
55
PRO
HG3
.698
1
4933
24
PRO
HG3
.7
2
4930
24
PRO
HG3
.7
2
15256
129
PRO
HG3
.704
2
17595
142
PRO
HG3
.705
2
6966
29
PRO
HG3
.71
9
15329
108
PRO
HG3
.71
2
18729
11
PRO
HG3
.711
2
16810
6
PRO
HG3
.712
2
15204
13
PRO
HG3
.715
1
18955
16
PRO
HG3
.715
2
15013
39
PRO
HG3
.715
.
16642
52
PRO
HG3
.716
2
15002
31
PRO
HG3
.718
.
4290
11
PRO
HG3
.72
1
923
35
PRO
HG3
.72
2
16549
10
PRO
HG3
.725
1
11332
54
PRO
HG3
.726
2
11151
28
PRO
HG3
.726
2
1170
71
PRO
HG3
.73
2
11156
55
PRO
HG3
.73
2
11324
33
PRO
HG3
.731
2
5850
49
PRO
HG3
.735
2
16746
44
PRO
HG3
.738
2
3433
57
PRO
HG3
.74
2
16253
36
PRO
HG3
.74
2
4700
6
PRO
HG3
.745
2
11284
55
PRO
HG3
.747
2
16482
22
PRO
HG3
.748
2
5866
46
PRO
HG3
.75
2
16485
78
PRO
HG3
.751
1
16284
31
PRO
HG3
.752
2
17232
23
PRO
HG3
.753
2
11036
37
PRO
HG3
.753
2
10101
116
PRO
HG3
.758
2
5690
43
PRO
HG3
.76
2
5498
6
PRO
HG3
.76
2
6121
11
PRO
HG3
.76
2
5406
71
PRO
HG3
.762
2
16426
44
PRO
HG3
.762
2
18843
55
PRO
HG3
.763
2
15964
85
PRO
HG3
.768
2
4527
48
PRO
HG3
.77
2
18328
84
PRO
HG3
.77
2
17754
66
PRO
HG3
.77
2
6751
9
PRO
HG3
.771
2
18900
75
PRO
HG3
.774
2
5333
5
PRO
HG3
.78
2
16481
133
PRO
HG3
.78
2
17191
23
PRO
HG3
.78
2
18347
5
PRO
HG3
.785
1
16923
39
PRO
HG3
.792
2
5407
54
PRO
HG3
.794
.
17277
127
PRO
HG3
.8
2
6990
56
PRO
HG3
.8
2
18165
58
PRO
HG3
.8
2
18296
83
PRO
HG3
.8
2
11228
58
PRO
HG3
.801
1
11102
95
PRO
HG3
.801
2
17255
45
PRO
HG3
.804
2
17448
51
PRO
HG3
.81
2
4471
69
PRO
HG3
0
1