PRO HG3 Chemical Shift Outliers

___________________________________________________
PRO HG3 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
18014
1.904
-.73
4.418
0.316


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
6007
43
PRO
HG3
2.86
2
5594
44
PRO
HG3
2.89
2
4024
27
PRO
HG3
2.91
1
2060
11
PRO
HG3
2.91
2
4819
46
PRO
HG3
2.92
2
15813
50
PRO
HG3
2.924
2
19321
52
PRO
HG3
2.946
2
19444
50
PRO
HG3
2.959
2
11298
27
PRO
HG3
2.968
1
19225
12
PRO
HG3
3.13
2
2060
18
PRO
HG3
3.18
1
4334
119
PRO
HG3
3.28
2
435
117
PRO
HG3
3.31
2
4998
71
PRO
HG3
3.35
2
4653
24
PRO
HG3
3.38
.
4655
15
PRO
HG3
3.44
.
19808
12
PRO
HG3
3.446245
.
6413
5
PRO
HG3
3.491
2
4653
18
PRO
HG3
3.5
.
6528
68
PRO
HG3
3.5
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
6528
35
PRO
HG3
3.66
1
16025
52
PRO
HG3
3.695
2
1991
33
PRO
HG3
3.71
2
4288
84
PRO
HG3
3.72
2
6003
79
PRO
HG3
3.742
1
4290
17
PRO
HG3
3.78
1
4652
7
PRO
HG3
3.83
.
4378
145
PRO
HG3
3.86
2
4637
14
PRO
HG3
3.9
2
30515
101
PRO
HG3
3.976
1
10221
40
PRO
HG3
4.418
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
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
25744
49
PRO
HG3
-.048
2
4127
112
PRO
HG3
-.05
2
17147
28
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
25680
33
PRO
HG3
-.117
2
25678
33
PRO
HG3
-.12
2
10337
70
PRO
HG3
-.123
2
18015
28
PRO
HG3
-.124
2
18502
32
PRO
HG3
-.134
2
26717
182
PRO
HG3
-.16
2
25310
33
PRO
HG3
-.172
2
17902
95
PRO
HG3
-.185
2
80
28
PRO
HG3
-.19
1
11008
33
PRO
HG3
-.193
1
25311
33
PRO
HG3
-.214
2
15295
52
PRO
HG3
-.218
2
19776
162
PRO
HG3
-.237
.
15020
17
PRO
HG3
-.245
2
11222
63
PRO
HG3
-.265
2
15948
55
PRO
HG3
-.32
1
11357
47
PRO
HG3
-.34
2
34030
105
PRO
HG3
-.351
2
25149
60
PRO
HG3
-.366
2
19777
162
PRO
HG3
-.382
.
16872
64
PRO
HG3
-.402
2
4833
75
PRO
HG3
-.53
2
11342
68
PRO
HG3
-.541
2
16372
69
PRO
HG3
-.603
2
5455
28
PRO
HG3
-.73
2
15800
47
PRO
HG3
.01
2
6946
138
PRO
HG3
.01
2
1062
77
PRO
HG3
.03
2
1061
78
PRO
HG3
.03
2
25865
35
PRO
HG3
.042
2
6855
66
PRO
HG3
.045
2
16093
92
PRO
HG3
.05
2
374
30
PRO
HG3
.05
2
16681
71
PRO
HG3
.057
2
6456
59
PRO
HG3
.06
2
6342
26
PRO
HG3
.06
2
6727
70
PRO
HG3
.062
2
17763
15
PRO
HG3
.067
2
7365
48
PRO
HG3
.1
1
17029
71
PRO
HG3
.109
2
25682
33
PRO
HG3
.111
2
25683
33
PRO
HG3
.12
2
5349
30
PRO
HG3
.12
2
17275
105
PRO
HG3
.125
2
1866
25
PRO
HG3
.13
2
11531
91
PRO
HG3
.133
.
10282
32
PRO
HG3
.138
2
11307
54
PRO
HG3
.157
1
18016
94
PRO
HG3
.16
2
25000
37
PRO
HG3
.163
2
11209
67
PRO
HG3
.164
2
11179
55
PRO
HG3
.164
2
6890
40
PRO
HG3
.17
2
10214
43
PRO
HG3
.172
2
11213
67
PRO
HG3
.173
2
10278
73
PRO
HG3
.174
2
15407
56
PRO
HG3
.175
2
17912
56
PRO
HG3
.177
2
19453
1
PRO
HG3
.178
.
25313
28
PRO
HG3
.186
2
17320
7
PRO
HG3
.187
2
25314
28
PRO
HG3
.19
2
45
9
PRO
HG3
.19
2
19130
6
PRO
HG3
.199
2
11225
57
PRO
HG3
.199
2
5459
47
PRO
HG3
.2
1
18971
37
PRO
HG3
.214
2
15510
55
PRO
HG3
.22
2
19110
72
PRO
HG3
.229
2
5381
9
PRO
HG3
.23
1
15510
55
PRO
HG3
.23
2
25259
150
PRO
HG3
.242
2
6197
54
PRO
HG3
.242
2
6149
72
PRO
HG3
.25
2
4871
95
PRO
HG3
.28
2
15351
54
PRO
HG3
.288
2
11217
55
PRO
HG3
.291
2
15577
79
PRO
HG3
.3
2
11285
70
PRO
HG3
.309
2
6231
99
PRO
HG3
.31
2
17913
56
PRO
HG3
.313
2
16283
100
PRO
HG3
.322
2
16272
100
PRO
HG3
.328
2
6719
28
PRO
HG3
.331
.
16066
40
PRO
HG3
.335
2
10240
65
PRO
HG3
.338
2
5998
74
PRO
HG3
.34
2
16926
46
PRO
HG3
.34
.
6854
52
PRO
HG3
.344
2
11155
65
PRO
HG3
.347
2
11242
55
PRO
HG3
.354
2
17965
81
PRO
HG3
.359
2
16424
43
PRO
HG3
.361
2
6777
56
PRO
HG3
.362
1
19988
5
PRO
HG3
.365
.
16380
106
PRO
HG3
.366
2
16774
92
PRO
HG3
.37
1
11018
54
PRO
HG3
.38
2
5050
11
PRO
HG3
.38
2
11516
112
PRO
HG3
.38
2
6559
39
PRO
HG3
.385
.
6559
39
PRO
HG3
.385
.
17518
102
PRO
HG3
.406
1
16569
60
PRO
HG3
.408
2
34008
3
PRO
HG3
.419
2
6058
98
PRO
HG3
.42
2
4871
162
PRO
HG3
.42
2
16065
40
PRO
HG3
.42
2
15554
19
PRO
HG3
.421
2
10241
66
PRO
HG3
.423
2
4938
62
PRO
HG3
.43
2
18832
61
PRO
HG3
.44
.
27158
37
PRO
HG3
.45
2
11303
72
PRO
HG3
.453
2
11160
30
PRO
HG3
.458
2
18707
56
PRO
HG3
.459
2
7074
84
PRO
HG3
.46
2
11040
55
PRO
HG3
.462
2
26919
57
PRO
HG3
.465
2
4241
60
PRO
HG3
.47
1
18987
61
PRO
HG3
.47
2
4122
58
PRO
HG3
.47
1
15309
45
PRO
HG3
.477
2
11078
11
PRO
HG3
.477
2
11296
72
PRO
HG3
.48
2
19955
56
PRO
HG3
.48
1
4623
60
PRO
HG3
.48
1
11537
5
PRO
HG3
.483
2
26901
12
PRO
HG3
.486
1
6086
38
PRO
HG3
.486
2
15173
5
PRO
HG3
.487
2
11154
57
PRO
HG3
.489
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
15309
45
PRO
HG3
.5
2
6467
21
PRO
HG3
.503
.
11318
57
PRO
HG3
.51
2
7326
2
PRO
HG3
.51
.
375
30
PRO
HG3
.51
2
10195
67
PRO
HG3
.516
2
10262
61
PRO
HG3
.517
2
11315
63
PRO
HG3
.519
1
16062
2
PRO
HG3
.524
2
25102
40
PRO
HG3
.525
2
18255
47
PRO
HG3
.54
2
17089
7
PRO
HG3
.54
2
11027
7
PRO
HG3
.54
2
15694
65
PRO
HG3
.542
2
15309
45
PRO
HG3
.543
2
11219
55
PRO
HG3
.546
2
25326
106
PRO
HG3
.547
.
4159
46
PRO
HG3
.547
1
149
30
PRO
HG3
.55
2
16473
64
PRO
HG3
.55
2
19282
7
PRO
HG3
.552
.
17443
28
PRO
HG3
.552
2
6189
51
PRO
HG3
.56
1
4966
43
PRO
HG3
.561
2
17824
87
PRO
HG3
.563
2
6370
21
PRO
HG3
.564
.
16623
12
PRO
HG3
.568
.
4242
121
PRO
HG3
.57
2
11214
64
PRO
HG3
.574
1
10011
80
PRO
HG3
.574
2
10028
43
PRO
HG3
.575
2
15016
13
PRO
HG3
.576
.
16483
24
PRO
HG3
.579
2
480
23
PRO
HG3
.58
2
481
23
PRO
HG3
.58
2
17540
33
PRO
HG3
.583
2
18499
33
PRO
HG3
.583
2
17539
37
PRO
HG3
.583
2
5968
47
PRO
HG3
.59
2
16385
71
PRO
HG3
.593
2
11294
88
PRO
HG3
.595
2
16480
21
PRO
HG3
.602
2
7306
54
PRO
HG3
.602
2
19526
20
PRO
HG3
.607
2
19771
50
PRO
HG3
.608
1
25354
54
PRO
HG3
.623
2
17089
47
PRO
HG3
.624
2
11027
47
PRO
HG3
.624
2
25914
24
PRO
HG3
.629
2
16692
51
PRO
HG3
.63
2
4384
139
PRO
HG3
.63
2
4121
28
PRO
HG3
.63
2
15356
14
PRO
HG3
.631
2
16018
68
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
25798
57
PRO
HG3
.641
1
18480
9
PRO
HG3
.644
2
10285
42
PRO
HG3
.648
2
16622
62
PRO
HG3
.65
2
27151
44
PRO
HG3
.65
2
11043
62
PRO
HG3
.655
2
25124
48
PRO
HG3
.656
2
19439
28
PRO
HG3
.659
2
18119
57
PRO
HG3
.659
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
19526
31
PRO
HG3
.67
2
4404
20
PRO
HG3
.67
2
10289
30
PRO
HG3
.671
2
10131
53
PRO
HG3
.672
2
7305
54
PRO
HG3
.674
1
16623
52
PRO
HG3
.679
.
16312
96
PRO
HG3
.68
2
36017
17
PRO
HG3
.68
2
27453
37
PRO
HG3
.682
2
25125
48
PRO
HG3
.687
2
16772
127
PRO
HG3
.687
2
19225
101
PRO
HG3
.688
2
16557
49
PRO
HG3
.69
2
5539
34
PRO
HG3
.69
2
6261
59
PRO
HG3
.69
2
18505
76
PRO
HG3
.69
2
25636
58
PRO
HG3
.694
.
5794
55
PRO
HG3
.698
1
27165
57
PRO
HG3
.7
2
4933
24
PRO
HG3
.7
2
4930
24
PRO
HG3
.7
2
15256
129
PRO
HG3
.704
2
17595
142
PRO
HG3
.705
2
19444
28
PRO
HG3
.706
2
19436
57
PRO
HG3
.708
2
15329
108
PRO
HG3
.71
2
18729
11
PRO
HG3
.711
2
19374
17
PRO
HG3
.712297
.
34217
63
PRO
HG3
.713
2
15204
13
PRO
HG3
.715
1
18955
16
PRO
HG3
.715
2
16642
52
PRO
HG3
.716
2
4290
11
PRO
HG3
.72
1
27453
74
PRO
HG3
.724
1
16549
10
PRO
HG3
.725
1
11151
28
PRO
HG3
.726
2
11332
54
PRO
HG3
.726
2
19704
43
PRO
HG3
.727
1
11324
33
PRO
HG3
.731
2
19726
110
PRO
HG3
.736
2
16746
44
PRO
HG3
.738
2
34120
14
PRO
HG3
.739
2
16253
36
PRO
HG3
.74
2
3433
57
PRO
HG3
.74
2
25172
11
PRO
HG3
.742
2
19491
161
PRO
HG3
.743
.
25866
35
PRO
HG3
.745
2
11284
55
PRO
HG3
.747
2
16482
22
PRO
HG3
.748
2
5866
46
PRO
HG3
.75
2
16284
31
PRO
HG3
.752
2
11036
37
PRO
HG3
.753
2
17232
23
PRO
HG3
.753
2
19847
18
PRO
HG3
.757566
.
6121
11
PRO
HG3
.76
2
5498
6
PRO
HG3
.76
2
5690
43
PRO
HG3
.76
2
18843
55
PRO
HG3
.763
2
15964
85
PRO
HG3
.768
2
19960
52
PRO
HG3
.769
2
25464
34
PRO
HG3
.77
2
18328
84
PRO
HG3
.77
2
30518
52
PRO
HG3
.77
2
4527
48
PRO
HG3
.77
2
6751
9
PRO
HG3
.771
2
18900
75
PRO
HG3
.774
2
25381
69
PRO
HG3
.778
1
19233
15
PRO
HG3
.783
2
18347
5
PRO
HG3
.785
1
25972
19
PRO
HG3
.791
.
5407
54
PRO
HG3
.794
.
18296
83
PRO
HG3
.8
2
17277
127
PRO
HG3
.8
2
11228
58
PRO
HG3
.801
1
17255
45
PRO
HG3
.804
2
17448
51
PRO
HG3
.81
2
11146
112
PRO
HG3
.812
2
25205
21
PRO
HG3
.812
2
15682
18
PRO
HG3
.813
2
25976
28
PRO
HG3
.814
2
19462
87
PRO
HG3
.816
2
10291
35
PRO
HG3
.817
2
18906
78
PRO
HG3
.817
.
17443
116
PRO
HG3
.818
2
10069
36
PRO
HG3
.82
2
25464
40
PRO
HG3
.82
2
4127
7
PRO
HG3
.82
2
19491
191
PRO
HG3
.82
.
26517
13
PRO
HG3
.825
1
15735
73
PRO
HG3
.825
2
11563
50
PRO
HG3
.825
2
4528
48
PRO
HG3
.83
2
30321
120
PRO
HG3
.835
2
18563
59
PRO
HG3
.836
2
25492
86
PRO
HG3
.837
2
25763
37
PRO
HG3
.84
2
25277
78
PRO
HG3
.84
2
15737
73
PRO
HG3
.842
2
11348
45
PRO
HG3
.848
2
5946
85
PRO
HG3
.849
2
6711
28
PRO
HG3
.85
1
15800
78
PRO
HG3
.85
2
4642
21
PRO
HG3
.85
2
25210
86
PRO
HG3
.85
1
10297
28
PRO
HG3
.853
2
15491
46
PRO
HG3
.854
2
16064
69
PRO
HG3
.857
2
11289
63
PRO
HG3
.857
2
17435
26
PRO
HG3
.858
2
133
60
PRO
HG3
.86
2
4589
4
PRO
HG3
.86
.
16594
103
PRO
HG3
.86
2
15610
71
PRO
HG3
.86
2
7203
31
PRO
HG3
.861
.
10302
55
PRO
HG3
.867
2
15057
24
PRO
HG3
.875
1
10144
97
PRO
HG3
.876
2
4788
91
PRO
HG3
.88
2
7074
27
PRO
HG3
.88
2
6526
101
PRO
HG3
.8806433
2
16472
128
PRO
HG3
.881
2
19132
3
PRO
HG3
.889
2
15097
162
PRO
HG3
.89
2
25508
21
PRO
HG3
.891
2
17254
45
PRO
HG3
.892
2
19290
128
PRO
HG3
.893
2
16380
41
PRO
HG3
.894
2
18500
7
PRO
HG3
.894
2
18502
7
PRO
HG3
.894
2
26995
28
PRO
HG3
.896
1
19178
91
PRO
HG3
.897
1
25719
9
PRO
HG3
.899
.
19687
156
PRO
HG3
.902
2
18349
41
PRO
HG3
.906
2
19453
52
PRO
HG3
.907
.
16285
45
PRO
HG3
.907
2
5052
43
PRO
HG3
.909
2
16614
88
PRO
HG3
.91
2
5999
47
PRO
HG3
.91
2
10145
107
PRO
HG3
.91
2
11341
56
PRO
HG3
.912
2
10212
66
PRO
HG3
.915
2
17741
89
PRO
HG3
.918
2
6000
120
PRO
HG3
.92
1
18677
50
PRO
HG3
.922
.
25395
24
PRO
HG3
.922
.
27406
35
PRO
HG3
.923
1
17277
9
PRO
HG3
.925
2
5879
97
PRO
HG3
.926
2
7019
110
PRO
HG3
.929
2
16186
21
PRO
HG3
.93
2
27677
91
PRO
HG3
.93
2
7211
44
PRO
HG3
.93
1
4722
117
PRO
HG3
.93
2
132
42
PRO
HG3
.94
1
18664
50
PRO
HG3
.943
1
19736
104
PRO
HG3
.943
1
4925
40
PRO
HG3
.945
2
10038
46
PRO
HG3
.947
2
5701
96
PRO
HG3
.947
2
4891
44
PRO
HG3
.948
2
19133
6
PRO
HG3
.949
2
4290
56
PRO
HG3
.95
1
4858
17
PRO
HG3
.95
2
4919
111
PRO
HG3
.951
2
6031
14
PRO
HG3
.952
2
5884
94
PRO
HG3
.954
1