PRO HG2 Chemical Shift Outliers

___________________________________________________
PRO HG2 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
19952
1.918
-2.35
4.92
0.345


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
11298
27
PRO
HG2
2.968
1
15813
50
PRO
HG2
3.021
2
5573
74
PRO
HG2
3.06
1
1719
76
PRO
HG2
3.18
1
2060
18
PRO
HG2
3.18
1
1991
33
PRO
HG2
3.23
2
923
76
PRO
HG2
3.27
2
346
76
PRO
HG2
3.27
1
17063
40
PRO
HG2
3.278
1
434
118
PRO
HG2
3.31
2
4129
95
PRO
HG2
3.33
2
17825
36
PRO
HG2
3.332
2
6253
52
PRO
HG2
3.38
1
4653
24
PRO
HG2
3.38
.
6634
36
PRO
HG2
3.43
2
4655
15
PRO
HG2
3.44
.
4744
34
PRO
HG2
3.441
.
5279
34
PRO
HG2
3.473
.
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
4466
96
PRO
HG2
3.6
1
5233
2
PRO
HG2
3.6
4
6920
8
PRO
HG2
3.64
1
4637
14
PRO
HG2
3.65
2
5573
76
PRO
HG2
3.67
1
1171
76
PRO
HG2
3.7
2
4042
25
PRO
HG2
3.72
1
11038
88
PRO
HG2
3.739
2
6003
79
PRO
HG2
3.742
1
4290
17
PRO
HG2
3.78
1
5625
5
PRO
HG2
3.78
2
5625
36
PRO
HG2
3.8
2
4998
71
PRO
HG2
3.83
2
4652
7
PRO
HG2
3.83
.
4288
84
PRO
HG2
3.9
2
4777
69
PRO
HG2
4.27
1
17144
70
PRO
HG2
4.38
2
10221
40
PRO
HG2
4.418
1
287
67
PRO
HG2
4.92
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
4960
25
PRO
HG2
-.01
1
5372
71
PRO
HG2
-.01
2
17145
28
PRO
HG2
-.015
2
5352
107
PRO
HG2
-.02
2
11332
54
PRO
HG2
-.023
2
17890
95
PRO
HG2
-.029
2
6149
72
PRO
HG2
-.04
2
4777
28
PRO
HG2
-.04
1
16053
54
PRO
HG2
-.045
.
10291
35
PRO
HG2
-.051
2
10278
73
PRO
HG2
-.054
2
7296
25
PRO
HG2
-.065
2
5248
37
PRO
HG2
-.07
.
16088
34
PRO
HG2
-.07
.
16070
34
PRO
HG2
-.07
.
19292
31
PRO
HG2
-.071
2
19296
32
PRO
HG2
-.093
2
18900
109
PRO
HG2
-.097
2
15806
33
PRO
HG2
-.098
2
18911
109
PRO
HG2
-.113
2
11109
96
PRO
HG2
-.115
2
11008
33
PRO
HG2
-.115
1
19291
31
PRO
HG2
-.133
2
5388
66
PRO
HG2
-.14
2
19295
32
PRO
HG2
-.147
2
5554
5
PRO
HG2
-.15
2
15289
78
PRO
HG2
-.164
1
15369
106
PRO
HG2
-.165
2
18433
50
PRO
HG2
-.187
.
80
28
PRO
HG2
-.19
1
18431
35
PRO
HG2
-.199
.
5483
46
PRO
HG2
-.203
2
15295
52
PRO
HG2
-.218
2
6634
2
PRO
HG2
-.23
2
18432
30
PRO
HG2
-.242
.
15003
37
PRO
HG2
-.268
2
15466
38
PRO
HG2
-.268
2
4436
4
PRO
HG2
-.27
1
10144
168
PRO
HG2
-.31
2
10145
178
PRO
HG2
-.315
2
15948
55
PRO
HG2
-.32
1
16018
68
PRO
HG2
-.324
2
274
30
PRO
HG2
-.34
1
17824
87
PRO
HG2
-.374
2
5455
28
PRO
HG2
-.38
2
6131
38
PRO
HG2
-.387
1
5532
81
PRO
HG2
-.389
1
4158
98
PRO
HG2
-.39
2
4291
5
PRO
HG2
-.392
1
10031
81
PRO
HG2
-.407
2
5625
2
PRO
HG2
-.42
2
11256
30
PRO
HG2
-.426
2
16557
49
PRO
HG2
-.47
2
1194
35
PRO
HG2
-.5
1
17144
29
PRO
HG2
-.54
2
1719
35
PRO
HG2
-.57
1
18622
78
PRO
HG2
-.58
2
18623
78
PRO
HG2
-.6
2
5333
5
PRO
HG2
-.6
2
17903
35
PRO
HG2
-.634
.
5828
30
PRO
HG2
-.67
4
17131
7
PRO
HG2
-.72
2
18439
43
PRO
HG2
-.721
2
18261
9
PRO
HG2
-.767
2
18262
9
PRO
HG2
-.801
2
5660
30
PRO
HG2
-.9
2
4312
33
PRO
HG2
-.93
1
6967
29
PRO
HG2
-.96
9
15765
73
PRO
HG2
-1.125
2
17090
58
PRO
HG2
-1.224
2
10005
38
PRO
HG2
-1.49
2
16849
40
PRO
HG2
-1.721
2
15375
40
PRO
HG2
-1.721
2
4743
34
PRO
HG2
-2.35
2
6995
138
PRO
HG2
.01
2
10028
43
PRO
HG2
.017
2
1333
25
PRO
HG2
.02
2
149
30
PRO
HG2
.02
2
5532
140
PRO
HG2
.027
1
5088
24
PRO
HG2
.03
2
15453
33
PRO
HG2
.034
1
11105
89
PRO
HG2
.04
2
6370
21
PRO
HG2
.045
.
10122
57
PRO
HG2
.045
2
17971
33
PRO
HG2
.05
2
375
30
PRO
HG2
.05
2
16872
64
PRO
HG2
.055
2
5880
95
PRO
HG2
.063
1
4900
81
PRO
HG2
.07
2
6530
38
PRO
HG2
.087
2
10294
32
PRO
HG2
.092
2
11007
33
PRO
HG2
.096
1
6807
40
PRO
HG2
.099
1
6265
47
PRO
HG2
.1
2
5616
40
PRO
HG2
.103
1
18180
30
PRO
HG2
.103
2
15013
39
PRO
HG2
.104
.
5406
71
PRO
HG2
.109
2
5086
23
PRO
HG2
.11
2
11293
13
PRO
HG2
.115
2
6434
47
PRO
HG2
.12
2
1170
71
PRO
HG2
.12
2
4744
59
PRO
HG2
.125
.
4855
9
PRO
HG2
.13
2
18805
34
PRO
HG2
.134
2
11307
54
PRO
HG2
.157
1
17320
7
PRO
HG2
.165
2
5171
9
PRO
HG2
.17
.
48
9
PRO
HG2
.17
2
280
16
PRO
HG2
.17
2
10314
73
PRO
HG2
.185
2
16642
52
PRO
HG2
.185
2
17146
70
PRO
HG2
.19
2
2169
9
PRO
HG2
.19
2
17763
15
PRO
HG2
.205
2
6581
74
PRO
HG2
.21
2
16809
54
PRO
HG2
.21
2
15912
54
PRO
HG2
.21
2
5616
81
PRO
HG2
.215
1
15159
35
PRO
HG2
.219
1
4868
9
PRO
HG2
.22
2
15800
47
PRO
HG2
.22
2
49
9
PRO
HG2
.23
2
5498
55
PRO
HG2
.23
2
18900
75
PRO
HG2
.237
2
7114
248
PRO
HG2
.24
2
4837
75
PRO
HG2
.24
2
16443
2
PRO
HG2
.241
2
10293
32
PRO
HG2
.246
2
6807
248
PRO
HG2
.25
1
18502
32
PRO
HG2
.254
2
17754
66
PRO
HG2
.26
2
17629
55
PRO
HG2
.267
2
6688
132
PRO
HG2
.27
4
18263
25
PRO
HG2
.27
2
18032
25
PRO
HG2
.27
2
17729
33
PRO
HG2
.276
2
5941
10
PRO
HG2
.28
2
6459
35
PRO
HG2
.282
1
15153
35
PRO
HG2
.282
1
18165
32
PRO
HG2
.282
2
11404
58
PRO
HG2
.284
2
17543
33
PRO
HG2
.285
2
6508
33
PRO
HG2
.285
.
18500
32
PRO
HG2
.285
2
16909
6
PRO
HG2
.285
2
7112
14
PRO
HG2
.286
2
7306
54
PRO
HG2
.289
2
16336
126
PRO
HG2
.29
2
480
23
PRO
HG2
.29
2
481
23
PRO
HG2
.29
2
1061
78
PRO
HG2
.29
2
11357
47
PRO
HG2
.29
2
1062
77
PRO
HG2
.29
2
16186
21
PRO
HG2
.3
2
1866
25
PRO
HG2
.3
2
15851
114
PRO
HG2
.307
2
11342
68
PRO
HG2
.316
2
6526
101
PRO
HG2
.3169712
2
759
25
PRO
HG2
.32
2
16809
54
PRO
HG2
.32
2
15912
54
PRO
HG2
.32
2
15610
71
PRO
HG2
.32
2
10281
32
PRO
HG2
.323
2
18662
53
PRO
HG2
.33
2
7114
40
PRO
HG2
.33
2
10136
55
PRO
HG2
.335
2
16443
21
PRO
HG2
.338
2
18501
6
PRO
HG2
.34
2
17538
36
PRO
HG2
.34
2
15129
49
PRO
HG2
.347
1
11156
55
PRO
HG2
.351
2
17545
32
PRO
HG2
.359
2
6507
33
PRO
HG2
.359
.
7204
126
PRO
HG2
.359
2
15403
87
PRO
HG2
.36
2
11162
56
PRO
HG2
.372
2
17089
47
PRO
HG2
.379
2
11027
47
PRO
HG2
.379
2
15575
32
PRO
HG2
.379
.
133
60
PRO
HG2
.38
2
10279
85
PRO
HG2
.382
2
15550
36
PRO
HG2
.39
1
18498
32
PRO
HG2
.393
2
18415
4
PRO
HG2
.394
2
17544
31
PRO
HG2
.397
2
17090
59
PRO
HG2
.398
2
5466
22
PRO
HG2
.4
.
17902
95
PRO
HG2
.404
2
11222
63
PRO
HG2
.409
2
5181
51
PRO
HG2
.41
2
1720
76
PRO
HG2
.42
1
11018
54
PRO
HG2
.42
2
15554
19
PRO
HG2
.42
2
17029
71
PRO
HG2
.421
2
6298
79
PRO
HG2
.422
.
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
18501
32
PRO
HG2
.454
2
15718
47
PRO
HG2
.465
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
923
35
PRO
HG2
.49
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
6990
56
PRO
HG2
.51
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
5729
52
PRO
HG2
.52
1
5630
10
PRO
HG2
.52
2
4377
62
PRO
HG2
.52
2
4419
43
PRO
HG2
.52
2
15098
63
PRO
HG2
.524
2
5406
30
PRO
HG2
.525
1
17544
5
PRO
HG2
.529
2
5372
30
PRO
HG2
.53
2
10287
32
PRO
HG2
.532
2
15932
139
PRO
HG2
.535
2
7123
19
PRO
HG2
.538
2
4722
117
PRO
HG2
.54
2
5538
24
PRO
HG2
.54
1
5595
12
PRO
HG2
.54
2
6902
97
PRO
HG2
.54
1
11090
66
PRO
HG2
.541
2
6829
68
PRO
HG2
.547
2
4159
46
PRO
HG2
.547
1
5989
43
PRO
HG2
.547
1
6262
42
PRO
HG2
.548
2
18039
65
PRO
HG2
.548
2
11285
70
PRO
HG2
.549
2
4189
30
PRO
HG2
.55
1
16093
92
PRO
HG2
.55
2
4165
51
PRO
HG2
.55
2
4963
41
PRO
HG2
.55
2
11323
16
PRO
HG2
.555
2
15510
55
PRO
HG2
.56
2
15510
55
PRO
HG2
.56
2
4418
43
PRO
HG2
.56
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
15575
73
PRO
HG2
.571
.
11214
64
PRO
HG2
.574
1
15289
26
PRO
HG2
.578
1
4963
11
PRO
HG2
.58
2
16388
61
PRO
HG2
.58
2
4471
69
PRO
HG2
.58
1
17518
102
PRO
HG2
.581
1
10211
68
PRO
HG2
.581
2
11516
112
PRO
HG2
.582
2
6718
47
PRO
HG2
.583
2
16607
46
PRO
HG2
.584
2
5532
139
PRO
HG2
.588
1
16926
46
PRO
HG2
.59
.
4852
22
PRO
HG2
.59
2
15351
54
PRO
HG2
.594
2
17965
81
PRO
HG2
.594
2
7383
27
PRO
HG2
.5944
.
5466
63
PRO
HG2
.6
.
4860
117
PRO
HG2
.6
2
17529
37
PRO
HG2
.601
2
10240
65
PRO
HG2
.604
2
15007
14
PRO
HG2
.61
2
5304
26
PRO
HG2
.61
2
5999
47
PRO
HG2
.61
2
16681
71
PRO
HG2
.614
2
6372
74
PRO
HG2
.62
2
17904
81
PRO
HG2
.621
.
16923
85
PRO
HG2
.626
2
6854
52
PRO
HG2
.629
2
5827
30
PRO
HG2
.63
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
17519
102
PRO
HG2
.637
1
15339
30
PRO
HG2
.637
2
6125
223
PRO
HG2
.64
2
4578
25
PRO
HG2
.64
2
17085
40
PRO
HG2
.642
2
6855
66
PRO
HG2
.645
2
18971
37
PRO
HG2
.645
2
18499
33
PRO
HG2
.647
2
17540
33
PRO
HG2
.647
2
17539
37
PRO
HG2
.647
2
18711
11
PRO
HG2
.647
2
5532
6
PRO
HG2
.648
1
6810
46
PRO
HG2
.65
2
16622
62
PRO
HG2
.65
2
6558
39
PRO
HG2
.653
.
5052
43
PRO
HG2
.653
2
6882
6
PRO
HG2
.654
2
11043
62
PRO
HG2
.655
2
18530
11
PRO
HG2
.658
2
5538
42
PRO
HG2
.66
2
5223
55
PRO
HG2
.661
.
11213
67
PRO
HG2
.664
2
16058
139
PRO
HG2
.668
2
7075
32
PRO
HG2
.67
2
5050
11
PRO
HG2
.67
2
10214
43
PRO
HG2
.673
2
15059
121
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
.
4145
51
PRO
HG2
.677
2
16842
16
PRO
HG2
.68
1
18328
84
PRO
HG2
.68
2
5827
71
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
4154
102
PRO
HG2
.7
2
6558
39
PRO
HG2
.702
.
17524
14
PRO
HG2
.702
2
11155
9
PRO
HG2
.708
2
15058
3
PRO
HG2
.709
1
5459
47
PRO
HG2
.71
1
16443
24
PRO
HG2
.712
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
346
35
PRO
HG2
.72
2
16549
10
PRO
HG2
.725
1
88
43
PRO
HG2
.73
2
6936
26
PRO
HG2
.73
2
5172
25
PRO
HG2
.73
2
4797
107
PRO
HG2
.73
2
11324
84
PRO
HG2
.739
2
5401
19
PRO
HG2
.74
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
18400
27
PRO
HG2
.747
2
15120
134
PRO
HG2
.7482
.
16708
38
PRO
HG2
.75
2
6149
62
PRO
HG2
.75
2
16485
78
PRO
HG2
.751
1
6901
83
PRO
HG2
.756
2
11179
55
PRO
HG2
.758
2
4435
81
PRO
HG2
.76
2
4849
129
PRO
HG2
.76
2
15837
79
PRO
HG2
.76
2
16139
75
PRO
HG2
.76
.
5398
65
PRO
HG2
.761
2
5668
65
PRO
HG2
.761
2
18193
17
PRO
HG2
.762
2
6287
23
PRO
HG2
.765
2
16999
101
PRO
HG2
.769
2
4793
103
PRO
HG2
.77
2
345
76
PRO
HG2
.77
1
17686
124
PRO
HG2
.77
2
4205
41
PRO
HG2
.77
2
922
76
PRO
HG2
.77
2
7420
59
PRO
HG2
.771
2
11146
60
PRO
HG2
.774
2
17701
110
PRO
HG2
.774
2
6559
39
PRO
HG2
.777
.
6559
39
PRO
HG2
.777
.
5876
76
PRO
HG2
.778
1
11224
56
PRO
HG2
.778
2
10036
115
PRO
HG2
.779
2
1071
10
PRO
HG2
.78
2
7421
59
PRO
HG2
.78
2
17272
95
PRO
HG2
.784
2
17273
95
PRO
HG2
.784
2
18347
5
PRO
HG2
.785
1
4882
32
PRO
HG2
.79
1
17160
43
PRO
HG2
.79
2
6739
109
PRO
HG2
.79
2
1588
9
PRO
HG2
.79
2
4909
84
PRO
HG2
.79
2
16923
39
PRO
HG2
.792
2
17904
35
PRO
HG2
.792
.
15498
65
PRO
HG2
.794
2
15718
88
PRO
HG2
.796
2
17382
71
PRO
HG2
.8
2
6231
99
PRO
HG2
.8
2
18296
83
PRO
HG2
.8
2
16253
36
PRO
HG2
.8
2
11228
58
PRO
HG2
.801
1
16686
47
PRO
HG2
.802
1
16251
92
PRO
HG2
.803
2
17275
105
PRO
HG2
.803
2
11042
40
PRO
HG2
.804
2
6721
28
PRO
HG2
.805
1
15805
41
PRO
HG2
.81
2
6086
38
PRO
HG2
.81
2
7365
48
PRO
HG2
.81
1
17416
223
PRO
HG2
.811
2
18729
11
PRO
HG2
.817
2
7114
107
PRO
HG2
.82
2
16074
20
PRO
HG2
.82
.
15577
79
PRO
HG2
.827
2
6966
29
PRO
HG2
.83
9
18327
61
PRO
HG2
.83
2
18832
61
PRO
HG2
.83
.
6807
107
PRO
HG2
.831
1
11268
90
PRO
HG2
.832
2
16909
58
PRO
HG2
.832
2
6797
42
PRO
HG2
.834
2
16840
138
PRO
HG2
.837
2
10035
92
PRO
HG2
.838
2
17946
71
PRO
HG2
.84
2
16177
78
PRO
HG2
.842
.
15814
56
PRO
HG2
.842
2
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
17382
21
PRO
HG2
.852
2
18165
58
PRO
HG2
.858
2
15128
143
PRO
HG2
.863
2
6934
37
PRO
HG2
.865
2
15289
47
PRO
HG2
.867
1
17323
147
PRO
HG2
.867
2
10126
96
PRO
HG2
.868
2
15300
47
PRO
HG2
.87
1
6726
32
PRO
HG2
.873
2
18419
60
PRO
HG2
.875
2
5867
55
PRO
HG2
.875
1
15057
24
PRO
HG2
.875
1
17595
142
PRO
HG2
.876
2
17711
42
PRO
HG2
.8782
2
4572
42
PRO
HG2
.88
2
6000
120
PRO
HG2
.88
1
7228
57
PRO
HG2
.88
2