PRO HG2 Chemical Shift Outliers

___________________________________________________
PRO HG2 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
14406
1.927
-.767
4.418
0.309


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
4509
5
PRO
HG2
2.887
.
15139
50
PRO
HG2
2.89
2
15137
13
PRO
HG2
2.902
2
4024
27
PRO
HG2
2.91
1
17880
6
PRO
HG2
2.949
2
11298
27
PRO
HG2
2.968
1
2060
18
PRO
HG2
3.18
1
1991
33
PRO
HG2
3.23
2
434
118
PRO
HG2
3.31
2
17825
36
PRO
HG2
3.332
2
4653
24
PRO
HG2
3.38
.
4655
15
PRO
HG2
3.44
.
4653
18
PRO
HG2
3.5
.
4651
13
PRO
HG2
3.51
.
5233
31
PRO
HG2
3.53
4
435
117
PRO
HG2
3.54
2
4652
23
PRO
HG2
3.54
.
6413
5
PRO
HG2
3.552
2
16025
52
PRO
HG2
3.576
2
5233
2
PRO
HG2
3.6
4
4466
96
PRO
HG2
3.6
1
4637
14
PRO
HG2
3.65
2
6003
79
PRO
HG2
3.742
1
4290
17
PRO
HG2
3.78
1
4652
7
PRO
HG2
3.83
.
4998
71
PRO
HG2
3.83
2
4288
84
PRO
HG2
3.9
2
10221
40
PRO
HG2
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
11332
54
PRO
HG2
-.023
2
10291
35
PRO
HG2
-.051
2
10278
73
PRO
HG2
-.054
2
18900
109
PRO
HG2
-.097
2
11109
96
PRO
HG2
-.115
2
11008
33
PRO
HG2
-.115
1
15369
106
PRO
HG2
-.165
2
18433
50
PRO
HG2
-.187
.
80
28
PRO
HG2
-.19
1
18431
35
PRO
HG2
-.199
.
15295
52
PRO
HG2
-.218
2
18432
30
PRO
HG2
-.242
.
10144
168
PRO
HG2
-.31
2
10145
178
PRO
HG2
-.315
2
15948
55
PRO
HG2
-.32
1
16018
68
PRO
HG2
-.324
2
17824
87
PRO
HG2
-.374
2
5455
28
PRO
HG2
-.38
2
4158
98
PRO
HG2
-.39
2
11256
30
PRO
HG2
-.426
2
16557
49
PRO
HG2
-.47
2
18622
78
PRO
HG2
-.58
2
18623
78
PRO
HG2
-.6
2
18261
9
PRO
HG2
-.767
2
10028
43
PRO
HG2
.017
2
149
30
PRO
HG2
.02
2
6370
21
PRO
HG2
.045
.
375
30
PRO
HG2
.05
2
16872
64
PRO
HG2
.055
2
5880
95
PRO
HG2
.063
1
4900
81
PRO
HG2
.07
2
10294
32
PRO
HG2
.092
2
6807
40
PRO
HG2
.099
1
6265
47
PRO
HG2
.1
2
11293
13
PRO
HG2
.115
2
11307
54
PRO
HG2
.157
1
17320
7
PRO
HG2
.165
2
5171
9
PRO
HG2
.17
.
280
16
PRO
HG2
.17
2
48
9
PRO
HG2
.17
2
16642
52
PRO
HG2
.185
2
2169
9
PRO
HG2
.19
2
17763
15
PRO
HG2
.205
2
15800
47
PRO
HG2
.22
2
19110
72
PRO
HG2
.229
2
5498
55
PRO
HG2
.23
2
49
9
PRO
HG2
.23
2
18900
75
PRO
HG2
.237
2
10293
32
PRO
HG2
.246
2
6807
248
PRO
HG2
.25
1
18502
32
PRO
HG2
.254
2
17629
55
PRO
HG2
.267
2
17729
33
PRO
HG2
.276
2
11404
58
PRO
HG2
.284
2
18500
32
PRO
HG2
.285
2
17543
33
PRO
HG2
.285
2
7306
54
PRO
HG2
.289
2
1061
78
PRO
HG2
.29
2
480
23
PRO
HG2
.29
2
1062
77
PRO
HG2
.29
2
481
23
PRO
HG2
.29
2
11357
47
PRO
HG2
.29
2
1866
25
PRO
HG2
.3
2
16186
21
PRO
HG2
.3
2
15851
114
PRO
HG2
.307
2
11342
68
PRO
HG2
.316
2
6526
101
PRO
HG2
.3169712
2
15610
71
PRO
HG2
.32
2
10281
32
PRO
HG2
.323
2
10136
55
PRO
HG2
.335
2
11156
55
PRO
HG2
.351
2
7204
126
PRO
HG2
.359
2
6507
33
PRO
HG2
.359
.
15403
87
PRO
HG2
.36
2
11027
47
PRO
HG2
.379
2
17089
47
PRO
HG2
.379
2
133
60
PRO
HG2
.38
2
18415
4
PRO
HG2
.394
2
11222
63
PRO
HG2
.409
2
15554
19
PRO
HG2
.42
2
11018
54
PRO
HG2
.42
2
17029
71
PRO
HG2
.421
2
11318
57
PRO
HG2
.425
2
6946
138
PRO
HG2
.43
2
6467
21
PRO
HG2
.431
.
6261
59
PRO
HG2
.44
2
6197
54
PRO
HG2
.444
2
4900
61
PRO
HG2
.45
2
17476
5
PRO
HG2
.469
2
4122
58
PRO
HG2
.47
1
11242
55
PRO
HG2
.471
2
4715
33
PRO
HG2
.484
1
4919
111
PRO
HG2
.485
2
11217
55
PRO
HG2
.498
2
15610
33
PRO
HG2
.5
2
15987
17
PRO
HG2
.504
2
16803
18
PRO
HG2
.508
2
374
30
PRO
HG2
.51
2
18971
4
PRO
HG2
.51
2
10292
38
PRO
HG2
.514
2
10337
70
PRO
HG2
.516
2
11315
63
PRO
HG2
.519
1
4377
62
PRO
HG2
.52
2
4419
43
PRO
HG2
.52
2
15098
63
PRO
HG2
.524
2
10287
32
PRO
HG2
.532
2
7123
19
PRO
HG2
.538
2
6902
97
PRO
HG2
.54
1
5595
12
PRO
HG2
.54
2
4722
117
PRO
HG2
.54
2
11090
66
PRO
HG2
.541
2
6829
68
PRO
HG2
.547
2
5989
43
PRO
HG2
.547
1
4159
46
PRO
HG2
.547
1
18039
65
PRO
HG2
.548
2
11285
70
PRO
HG2
.549
2
16093
92
PRO
HG2
.55
2
11323
16
PRO
HG2
.555
2
15510
55
PRO
HG2
.56
2
4418
43
PRO
HG2
.56
2
15510
55
PRO
HG2
.56
2
19200
22
PRO
HG2
.562
2
18277
60
PRO
HG2
.563
2
4914
19
PRO
HG2
.57
3
4815
43
PRO
HG2
.57
2
6890
40
PRO
HG2
.57
2
17518
102
PRO
HG2
.581
1
10211
68
PRO
HG2
.581
2
11516
112
PRO
HG2
.582
2
16607
46
PRO
HG2
.584
2
16926
46
PRO
HG2
.59
.
4852
22
PRO
HG2
.59
2
17965
81
PRO
HG2
.594
2
15351
54
PRO
HG2
.594
2
7383
27
PRO
HG2
.5944
.
4860
117
PRO
HG2
.6
2
10240
65
PRO
HG2
.604
2
5999
47
PRO
HG2
.61
2
16681
71
PRO
HG2
.614
2
18956
22
PRO
HG2
.617
2
6372
74
PRO
HG2
.62
2
6854
52
PRO
HG2
.629
2
16424
43
PRO
HG2
.631
2
15931
45
PRO
HG2
.631
2
15691
48
PRO
HG2
.636
2
11026
62
PRO
HG2
.636
2
15339
30
PRO
HG2
.637
2
6125
223
PRO
HG2
.64
2
17085
40
PRO
HG2
.642
2
6855
66
PRO
HG2
.645
2
18971
37
PRO
HG2
.645
2
17540
33
PRO
HG2
.647
2
18499
33
PRO
HG2
.647
2
17539
37
PRO
HG2
.647
2
18711
11
PRO
HG2
.647
2
16622
62
PRO
HG2
.65
2
5052
43
PRO
HG2
.653
2
6882
6
PRO
HG2
.654
2
11043
62
PRO
HG2
.655
2
18530
11
PRO
HG2
.658
2
5223
55
PRO
HG2
.661
.
11213
67
PRO
HG2
.664
2
16058
139
PRO
HG2
.668
2
5050
11
PRO
HG2
.67
2
15059
121
PRO
HG2
.673
2
10214
43
PRO
HG2
.673
2
17113
21
PRO
HG2
.67336
2
7305
54
PRO
HG2
.674
1
16630
105
PRO
HG2
.676
2
15016
20
PRO
HG2
.677
.
18328
84
PRO
HG2
.68
2
11219
55
PRO
HG2
.689
2
6643
94
PRO
HG2
.69
2
18505
76
PRO
HG2
.69
2
6719
28
PRO
HG2
.694
.
5794
55
PRO
HG2
.698
1
17031
102
PRO
HG2
.7
2
16881
87
PRO
HG2
.7
2
17524
14
PRO
HG2
.702
2
19229
57
PRO
HG2
.703
2
11155
9
PRO
HG2
.708
2
15058
3
PRO
HG2
.709
1
5459
47
PRO
HG2
.71
1
18119
57
PRO
HG2
.713
2
15204
13
PRO
HG2
.715
1
15173
5
PRO
HG2
.719
2
4833
75
PRO
HG2
.72
2
16549
10
PRO
HG2
.725
1
88
43
PRO
HG2
.73
2
6936
26
PRO
HG2
.73
2
4797
107
PRO
HG2
.73
2
11324
84
PRO
HG2
.739
2
15242
25
PRO
HG2
.742
.
10114
71
PRO
HG2
.743
2
17912
56
PRO
HG2
.746
2
6533
26
PRO
HG2
.746
2
16633
43
PRO
HG2
.747
2
15120
134
PRO
HG2
.7482
.
16708
38
PRO
HG2
.75
2
6901
83
PRO
HG2
.756
2
11179
55
PRO
HG2
.758
2
4849
129
PRO
HG2
.76
2
15837
79
PRO
HG2
.76
2
16139
75
PRO
HG2
.76
.
5398
65
PRO
HG2
.761
2
18193
17
PRO
HG2
.762
2
6287
23
PRO
HG2
.765
2
16999
101
PRO
HG2
.769
2
17686
124
PRO
HG2
.77
2
4793
103
PRO
HG2
.77
2
7420
59
PRO
HG2
.771
2
11146
60
PRO
HG2
.774
2
10036
115
PRO
HG2
.779
2
7421
59
PRO
HG2
.78
2
1071
10
PRO
HG2
.78
2
18347
5
PRO
HG2
.785
1
1588
9
PRO
HG2
.79
2
17160
43
PRO
HG2
.79
2
15498
65
PRO
HG2
.794
2
16253
36
PRO
HG2
.8
2
6231
99
PRO
HG2
.8
2
11228
58
PRO
HG2
.801
1
16686
47
PRO
HG2
.802
1
17275
105
PRO
HG2
.803
2
6721
28
PRO
HG2
.805
1
6086
38
PRO
HG2
.81
2
7365
48
PRO
HG2
.81
1
18729
11
PRO
HG2
.817
2
15577
79
PRO
HG2
.827
2
18832
61
PRO
HG2
.83
.
6807
107
PRO
HG2
.831
1
11268
90
PRO
HG2
.832
2
16840
138
PRO
HG2
.837
2
16177
78
PRO
HG2
.842
.
11090
90
PRO
HG2
.844
2
10284
32
PRO
HG2
.846
2
15407
56
PRO
HG2
.846
2
6711
28
PRO
HG2
.85
1
16970
5
PRO
HG2
.852
2
15128
143
PRO
HG2
.863
2
17323
147
PRO
HG2
.867
2
6726
32
PRO
HG2
.873
2
18419
60
PRO
HG2
.875
2
15057
24
PRO
HG2
.875
1
17595
142
PRO
HG2
.876
2
17711
42
PRO
HG2
.8782
2
6000
120
PRO
HG2
.88
1
16472
128
PRO
HG2
.881
2
16163
98
PRO
HG2
.884
1
15796
63
PRO
HG2
.887
2
18210
60
PRO
HG2
.89
1
17742
89
PRO
HG2
.89
2
5968
22
PRO
HG2
.89
2
3433
57
PRO
HG2
.89
2
19178
91
PRO
HG2
.897
1
16694
40
PRO
HG2
.897
.
15349
52
PRO
HG2
.899
2
15092
83
PRO
HG2
.899
2
16498
90
PRO
HG2
.9
2
15403
79
PRO
HG2
.9
2
4642
21
PRO
HG2
.9
2
6727
70
PRO
HG2
.902
2
16675
104
PRO
HG2
.905
2
6288
48
PRO
HG2
.906
.
10121
18
PRO
HG2
.909
2
16315
95
PRO
HG2
.91
2
16614
88
PRO
HG2
.91
2
5299
164
PRO
HG2
.91
2
16066
40
PRO
HG2
.911
2
6712
6
PRO
HG2
.915
2
4121
28
PRO
HG2
.92
2
4290
11
PRO
HG2
.92
1
10114
66
PRO
HG2
.923
2
11102
93
PRO
HG2
.924
2
6936
50
PRO
HG2
.924
2
6766
31
PRO
HG2
.925
1
16992
36
PRO
HG2
.929
1
4577
94
PRO
HG2
.93
2
5349
30
PRO
HG2
.94
2
4326
50
PRO
HG2
.94
2
5833
119
PRO
HG2
.94
2
132
42
PRO
HG2
.94
1
4879
36
PRO
HG2
.94
1
18664
50
PRO
HG2
.943
1
17467
32
PRO
HG2
.9479
2
5375
9
PRO
HG2
.95
2
11209
67
PRO
HG2
.951
2
15348
93
PRO
HG2
.952
2
10272
56
PRO
HG2
.953
2
5974
94
PRO
HG2
.958
2
5946
131
PRO
HG2
.959
1
11324
33
PRO
HG2
.959
2
349
68
PRO
HG2
.96
2
6309
21
PRO
HG2
.96
1
11154
57
PRO
HG2
.96
2
6518
64
PRO
HG2
.96
2
16350
3
PRO
HG2
.963
1
6866
72
PRO
HG2
.966
2
11155
65
PRO
HG2
.968
2
5498
6
PRO
HG2
.97
2
15623
58
PRO
HG2
.97
2
5821
12
PRO
HG2
.97
2
5823
12
PRO
HG2
.97
2
15197
58
PRO
HG2
.97
2
15020
17
PRO
HG2
.973
2
6475
59
PRO
HG2
.973
2
16317
79
PRO
HG2
.973
2
11280
61
PRO
HG2
.974
2
15085
49
PRO
HG2
.976
1
5594
39
PRO
HG2
.98
2
7074
84
PRO
HG2
.98
2
15894
79
PRO
HG2
.981
2
15895
79
PRO
HG2
.981
2
16413
86
PRO
HG2
.985
2
1589
30
PRO
HG2
.99
2
10288
31
PRO
HG2
.99
2
18016
94
PRO
HG2
.99
2
16061
68
PRO
HG2
.993
2
15555
28
PRO
HG2
.995
2
17825
11
PRO
HG2
.997
2