ARG HB3 Chemical Shift Outliers

___________________________________________________
ARG HB3 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
33066
1.758
-1.32
27.53
0.324


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
6262
87
ARG
HB3
2.737
2
5269
67
ARG
HB3
2.74
2
19807
24
ARG
HB3
2.749
1
4790
82
ARG
HB3
2.75
1
11298
21
ARG
HB3
2.754
2
15229
63
ARG
HB3
2.763
.
16790
98
ARG
HB3
2.763
2
5130
119
ARG
HB3
2.766
.
4761
10
ARG
HB3
2.77
9
19854
95
ARG
HB3
2.774
2
25554
95
ARG
HB3
2.774
2
19852
95
ARG
HB3
2.774
2
6726
82
ARG
HB3
2.775
2
17863
238
ARG
HB3
2.783
2
5653
60
ARG
HB3
2.788
.
5633
60
ARG
HB3
2.788
.
34029
55
ARG
HB3
2.795
.
6142
113
ARG
HB3
2.8
1
19562
86
ARG
HB3
2.806
2
10024
19
ARG
HB3
2.82
1
6369
132
ARG
HB3
2.82
1
5745
72
ARG
HB3
2.82
2
4115
75
ARG
HB3
2.82
1
25573
36
ARG
HB3
2.845
2
19945
112
ARG
HB3
2.86
.
18705
6
ARG
HB3
2.863
1
19954
28
ARG
HB3
2.877
.
26725
6
ARG
HB3
2.887
.
5398
87
ARG
HB3
2.888
1
5668
87
ARG
HB3
2.888
1
27869
47
ARG
HB3
2.89
2
6826
24
ARG
HB3
2.891
2
6315
81
ARG
HB3
2.9
2
16318
24
ARG
HB3
2.9
2
15960
115
ARG
HB3
2.91
.
5312
38
ARG
HB3
2.96
2
6262
71
ARG
HB3
2.965
2
26780
38
ARG
HB3
2.978
2
15801
107
ARG
HB3
2.988
.
4317
19
ARG
HB3
2.99
2
4300
150
ARG
HB3
2.99
2
11038
68
ARG
HB3
27.53
2
6250
87
ARG
HB3
3
1
16030
22
ARG
HB3
3
2
4299
150
ARG
HB3
3.02
2
7287
109
ARG
HB3
3.026
1
18321
11
ARG
HB3
3.0372
2
16256
49
ARG
HB3
3.097
1
7124
4
ARG
HB3
3.104
1
18200
89
ARG
HB3
3.114
1
5005
100
ARG
HB3
3.14
1
4143
49
ARG
HB3
3.143
2
6786
18
ARG
HB3
3.149
1
6685
184
ARG
HB3
3.156
2
25009
1
ARG
HB3
3.182
2
16822
53
ARG
HB3
3.182
2
4421
94
ARG
HB3
3.27
2
1839
48
ARG
HB3
3.28
2
750
145
ARG
HB3
3.29
1
27434
486
ARG
HB3
3.3
1
16782
95
ARG
HB3
3.32
2
27781
92
ARG
HB3
3.466
1
1889
48
ARG
HB3
3.64
2
15438
14
ARG
HB3
3.74
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
4109
97
ARG
HB3
-.004
2
17365
30
ARG
HB3
-.016
2
30247
41
ARG
HB3
-.025
.
19291
9
ARG
HB3
-.033
2
6530
16
ARG
HB3
-.059
2
5054
14
ARG
HB3
-.08
2
19296
9
ARG
HB3
-.083
2
11428
90
ARG
HB3
-.09
2
26008
9
ARG
HB3
-.097
2
17544
9
ARG
HB3
-.105
2
6054
12
ARG
HB3
-.11
1
18501
10
ARG
HB3
-.112
2
26007
9
ARG
HB3
-.115
2
15016
26
ARG
HB3
-.12
.
18502
10
ARG
HB3
-.124
2
26005
9
ARG
HB3
-.127
2
26006
9
ARG
HB3
-.132
2
15109
19
ARG
HB3
-.138
2
19292
9
ARG
HB3
-.139
2
6189
31
ARG
HB3
-.139
1
10287
58
ARG
HB3
-.14
2
19446
96
ARG
HB3
-.143
2
18901
102
ARG
HB3
-.146
.
17158
71
ARG
HB3
-.151
2
11388
86
ARG
HB3
-.178
2
10031
43
ARG
HB3
-.179
2
6053
12
ARG
HB3
-.18
1
4925
12
ARG
HB3
-.197
2
15585
10
ARG
HB3
-.208
2
25314
6
ARG
HB3
-.212
2
15153
13
ARG
HB3
-.215
1
6459
13
ARG
HB3
-.215
1
17407
52
ARG
HB3
-.219
2
10025
81
ARG
HB3
-.221
2
15153
13
ARG
HB3
-.222
1
6459
13
ARG
HB3
-.222
1
25142
60
ARG
HB3
-.237
.
16481
89
ARG
HB3
-.239
2
17545
9
ARG
HB3
-.239
1
25313
6
ARG
HB3
-.245
2
4295
50
ARG
HB3
-.25
2
26963
113
ARG
HB3
-.259
2
25315
6
ARG
HB3
-.265
2
7063
31
ARG
HB3
-.266
2
17484
55
ARG
HB3
-.278
2
15807
41
ARG
HB3
-.289
2
17542
12
ARG
HB3
-.29
2
17541
9
ARG
HB3
-.29
2
15159
13
ARG
HB3
-.291
1
17139
38
ARG
HB3
-.297
2
15349
41
ARG
HB3
-.308
2
11389
83
ARG
HB3
-.336
2
6906
53
ARG
HB3
-.35
9
10026
99
ARG
HB3
-.382
2
10294
58
ARG
HB3
-.383
2
10041
22
ARG
HB3
-.416
2
16613
166
ARG
HB3
-.431
2
16692
54
ARG
HB3
-.436
2
16008
35
ARG
HB3
-.439
2
4242
116
ARG
HB3
-.46
2
16252
58
ARG
HB3
-.467
2
15718
108
ARG
HB3
-.486
2
17529
15
ARG
HB3
-.51
2
19491
169
ARG
HB3
-.513
.
10281
58
ARG
HB3
-.554
2
1808
38
ARG
HB3
-.61
1
17145
54
ARG
HB3
-.618
2
18394
96
ARG
HB3
-.723
2
4242
105
ARG
HB3
-.74
1
16992
161
ARG
HB3
-.857
1
18338
62
ARG
HB3
-1.011
.
16173
177
ARG
HB3
-1.025
2
25993
168
ARG
HB3
-1.04
2
11499
94
ARG
HB3
-1.05
2
11472
94
ARG
HB3
-1.064
2
6601
6
ARG
HB3
-1.126
2
11501
89
ARG
HB3
-1.32
2
25442
23
ARG
HB3
.013
.
30322
102
ARG
HB3
.017
1
19421
29
ARG
HB3
.021
2
11247
91
ARG
HB3
.022
2
10110
59
ARG
HB3
.023
2
19295
9
ARG
HB3
.026
2
6876
92
ARG
HB3
.036
2
10150
49
ARG
HB3
.04
2
25864
13
ARG
HB3
.044
2
17518
23
ARG
HB3
.044
.
19225
114
ARG
HB3
.048
2
10074
97
ARG
HB3
.066
2
30197
51
ARG
HB3
.079
2
19259
18
ARG
HB3
.089
.
5628
52
ARG
HB3
.1
2
4882
9
ARG
HB3
.1
1
5778
41
ARG
HB3
.112
2
10315
18
ARG
HB3
.117
2
4109
97
ARG
HB3
.118
2
19258
18
ARG
HB3
.122
.
6113
50
ARG
HB3
.123
1
10147
115
ARG
HB3
.125
2
11145
109
ARG
HB3
.135
2
19835
174
ARG
HB3
.143
2
34121
76
ARG
HB3
.158
2
11089
16
ARG
HB3
.158
2
6201
96
ARG
HB3
.159
2
15602
126
ARG
HB3
.16
2
4109
97
ARG
HB3
.161
2
17582
175
ARG
HB3
.163
2
6201
96
ARG
HB3
.163
2
17576
175
ARG
HB3
.17
2
1675
50
ARG
HB3
.175
2
18990
104
ARG
HB3
.183
2
11362
31
ARG
HB3
.184
2
25694
22
ARG
HB3
.202
2
19836
174
ARG
HB3
.206
2
25349
15
ARG
HB3
.211
2
18642
31
ARG
HB3
.215
2
6253
174
ARG
HB3
.218
1
4129
25
ARG
HB3
.22
1
25442
9
ARG
HB3
.221
.
25447
53
ARG
HB3
.221
.
11105
103
ARG
HB3
.229
2
19851
96
ARG
HB3
.236
2
25627
30
ARG
HB3
.239
2
25159
77
ARG
HB3
.247
2
4717
47
ARG
HB3
.25
.
2070
72
ARG
HB3
.25
1
5105
36
ARG
HB3
.25
2
16575
20
ARG
HB3
.255
1
15442
29
ARG
HB3
.257
2
34123
16
ARG
HB3
.258
.
4333
52
ARG
HB3
.258
2
10115
17
ARG
HB3
.259
2
11115
31
ARG
HB3
.264
2
11227
57
ARG
HB3
.268
2
6226
55
ARG
HB3
.28
2
15810
32
ARG
HB3
.28
2
4782
115
ARG
HB3
.29
1
5352
129
ARG
HB3
.29
2
18533
58
ARG
HB3
.29
2
6658
136
ARG
HB3
.296
2
16145
22
ARG
HB3
.301
2
6221
79
ARG
HB3
.303
4
975
72
ARG
HB3
.32
2
11096
64
ARG
HB3
.324
2
15813
13
ARG
HB3
.327
2
27251
27
ARG
HB3
.332
2
11225
39
ARG
HB3
.339
2
2071
72
ARG
HB3
.34
1
15801
31
ARG
HB3
.341
.
34334
17
ARG
HB3
.35
2
16172
70
ARG
HB3
.35
2
10164
83
ARG
HB3
.353
2
19551
8
ARG
HB3
.355
2
17519
23
ARG
HB3
.356
1
25047
6
ARG
HB3
.357
2
17365
39
ARG
HB3
.357
2
5009
99
ARG
HB3
.363
.
18547
19
ARG
HB3
.37
2
6176
74
ARG
HB3
.37
2
5359
42
ARG
HB3
.37
2
26053
70
ARG
HB3
.375
2
15694
78
ARG
HB3
.376
2
17918
62
ARG
HB3
.381
2
26780
62
ARG
HB3
.381
2
6936
40
ARG
HB3
.383
2
19503
27
ARG
HB3
.388
1
15611
78
ARG
HB3
.389
2
25000
15
ARG
HB3
.393
2
26661
53
ARG
HB3
.395
1
16171
70
ARG
HB3
.4
2
10317
15
ARG
HB3
.401
2
26660
53
ARG
HB3
.402
1
18501
25
ARG
HB3
.404
2
16157
17
ARG
HB3
.405
2
11247
21
ARG
HB3
.408
2
15637
22
ARG
HB3
.41
2
60
19
ARG
HB3
.41
2
5628
103
ARG
HB3
.41
2
4091
117
ARG
HB3
.41
2
15557
78
ARG
HB3
.41
2
5482
19
ARG
HB3
.41
2
25008
84
ARG
HB3
.417
2
5381
42
ARG
HB3
.42
1
19505
9
ARG
HB3
.422
1
6175
28
ARG
HB3
.426
1
19880
6
ARG
HB3
.434
.
25925
68
ARG
HB3
.434
2
19880
6
ARG
HB3
.437
.
16370
104
ARG
HB3
.438
2
26577
142
ARG
HB3
.44
2
16380
31
ARG
HB3
.442
2
17374
85
ARG
HB3
.442
.
15635
22
ARG
HB3
.444
2
19880
6
ARG
HB3
.444
.
27078
166
ARG
HB3
.45
2
18180
93
ARG
HB3
.451
2
19880
6
ARG
HB3
.458
.
18502
25
ARG
HB3
.458
2
19047
199
ARG
HB3
.459
1
19047
199
ARG
HB3
.459
1
16560
95
ARG
HB3
.461
2
15636
22
ARG
HB3
.461
2
19048
199
ARG
HB3
.47
1
17421
85
ARG
HB3
.48
2
19048
199
ARG
HB3
.48
1
7242
66
ARG
HB3
.486
2
16047
78
ARG
HB3
.487
2
5669
30
ARG
HB3
.488
1
15823
84
ARG
HB3
.489
2
17544
24
ARG
HB3
.491
2
16048
78
ARG
HB3
.496
2
15402
122
ARG
HB3
.496
2
16049
78
ARG
HB3
.496
2
5165
135
ARG
HB3
.499
1
16042
78
ARG
HB3
.5
2
4786
43
ARG
HB3
.5
2
15134
47
ARG
HB3
.5
2
16046
78
ARG
HB3
.506
2
11141
29
ARG
HB3
.507
2
10295
68
ARG
HB3
.507
2
16094
11
ARG
HB3
.508
2
5107
46
ARG
HB3
.508
2
15369
84
ARG
HB3
.509
2
11500
92
ARG
HB3
.515
2
10144
139
ARG
HB3
.516
2
15401
122
ARG
HB3
.516
2
7381
122
ARG
HB3
.516
2
26582
142
ARG
HB3
.518
2
11175
91
ARG
HB3
.518
1
19851
49
ARG
HB3
.524
2
10145
149
ARG
HB3
.529
2
17382
146
ARG
HB3
.533
.
16997
99
ARG
HB3
.546
2
5107
50
ARG
HB3
.551
2
30259
19
ARG
HB3
.552
.
15059
65
ARG
HB3
.556
2
25159
99
ARG
HB3
.556
2
11329
68
ARG
HB3
.558
2
15652
89
ARG
HB3
.56
2
15715
17
ARG
HB3
.56
2
18944
58
ARG
HB3
.562
1
11333
108
ARG
HB3
.564
2
15988
24
ARG
HB3
.566
2
6292
52
ARG
HB3
.57
2
6902
95
ARG
HB3
.57
1
5068
115
ARG
HB3
.57
2
5803
115
ARG
HB3
.57
2
7160
114
ARG
HB3
.57
.
5804
115
ARG
HB3
.57
2
5083
81
ARG
HB3
.57
2
18971
15
ARG
HB3
.575
2
15700
109
ARG
HB3
.577
2
19290
132
ARG
HB3
.577
2
18717
115
ARG
HB3
.577
2
6732
33
ARG
HB3
.578
.
19511
58
ARG
HB3
.578
2
19299
19
ARG
HB3
.58
2
5320
78
ARG
HB3
.58
1
4782
116
ARG
HB3
.58
1
26061
43
ARG
HB3
.58
.
16675
144
ARG
HB3
.58
2
17711
111
ARG
HB3
.5812
2
11119
65
ARG
HB3
.582
2
18500
10
ARG
HB3
.583
2
11227
82
ARG
HB3
.583
2
17543
11
ARG
HB3
.583
2
6175
30
ARG
HB3
.584
1
7231
36
ARG
HB3
.585
2
16189
27
ARG
HB3
.587
2
18805
60
ARG
HB3
.587
1
18380
36
ARG
HB3
.589
2
18887
74
ARG
HB3
.59
.
18228
122
ARG
HB3
.592
1
4943
114
ARG
HB3
.6
2
17405
92
ARG
HB3
.601
2
5876
29
ARG
HB3
.603
1
10114
44
ARG
HB3
.603
2
17323
45
ARG
HB3
.605
1
18320
70
ARG
HB3
.609
2
18404
39
ARG
HB3
.61
1
17818
64
ARG
HB3
.61
2
4301
111
ARG
HB3
.61
1
6367
48
ARG
HB3
.61
2
18200
101
ARG
HB3
.611
2
36013
91
ARG
HB3
.614
1
15012
98
ARG
HB3
.615
2
4259
65
ARG
HB3
.62
1
4165
24
ARG
HB3
.62
2
30260
19
ARG
HB3
.62
.
4943
114
ARG
HB3
.62
2
36084
46
ARG
HB3
.622
2
25446
51
ARG
HB3
.622
.
27313
100
ARG
HB3
.629
2
2219
28
ARG
HB3
.63
2
19187
56
ARG
HB3
.633
2
25945
26
ARG
HB3
.641
2
17452
54
ARG
HB3
.642
2
17490
93
ARG
HB3
.643
2
11117
80
ARG
HB3
.645
2
10288
78
ARG
HB3
.645
2
17830
45
ARG
HB3
.645
2
10002
27
ARG
HB3
.645
2
15718
104
ARG
HB3
.646
1
10296
58
ARG
HB3
.646
2
1037
53
ARG
HB3
.65
1
27518
39
ARG
HB3
.65
1
5467
80
ARG
HB3
.653
2
6604
62
ARG
HB3
.657
2
17831
45
ARG
HB3
.657
2
5850
52
ARG
HB3
.657
2
17258
124
ARG
HB3
.659
2
6415
115
ARG
HB3
.66
2
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65
ARG
HB3
.66
2
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109
ARG
HB3
.66
2
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79
ARG
HB3
.66
2
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54
ARG
HB3
.661
1
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91
ARG
HB3
.662
1
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54
ARG
HB3
.669
2
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19
ARG
HB3
.67
2
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91
ARG
HB3
.671
1
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141
ARG
HB3
.674
2
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36
ARG
HB3
.675
1
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25
ARG
HB3
.675
1
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20
ARG
HB3
.675
2
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73
ARG
HB3
.677
2
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16
ARG
HB3
.68
2
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53
ARG
HB3
.681
1
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113
ARG
HB3
.682
1
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102
ARG
HB3
.685
2
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54
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HB3
.686
2
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15
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HB3
.688
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7
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HB3
.689
.
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37
ARG
HB3
.69
1
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25
ARG
HB3
.692
2
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81
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HB3
.693
2
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10
ARG
HB3
.694
2
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36
ARG
HB3
.697
2
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37
ARG
HB3
.7
2
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112
ARG
HB3
.702
2
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116
ARG
HB3
.708
2
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26
ARG
HB3
.708
2
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64
ARG
HB3
.708
2
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11
ARG
HB3
.708
2
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15
ARG
HB3
.71
1
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40
ARG
HB3
.71
2
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125
ARG
HB3
.71
2
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93
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.711
2
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38
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HB3
.713
.
27453
112
ARG
HB3
.713
2
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17
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HB3
.713
2
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70
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.715
2
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121
ARG
HB3
.72
1
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106
ARG
HB3
.721
2
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24
ARG
HB3
.724
2
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91
ARG
HB3
.728
1
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43
ARG
HB3
.729
2
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38
ARG
HB3
.73
2
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34
ARG
HB3
.732
2
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125
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HB3
.734
2
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109
ARG
HB3
.734
2
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5
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HB3
.735
2
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47
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HB3
.737
1
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22
ARG
HB3
.737
2
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110
ARG
HB3
.74
1
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35
ARG
HB3
.74
2
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43
ARG
HB3
.74
2
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34
ARG
HB3
.741
2
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10
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HB3
.745
2
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37
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.746
2
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.746
2
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49
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.75
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25
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.75
2
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.75
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.75
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20
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HB3
.75
.
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10
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.754
2
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19
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HB3
.754
2
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18
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.758
2
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48
ARG
HB3
.76
1
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78
ARG
HB3
.76
2
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65
ARG
HB3
.761
2
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53
ARG
HB3
.762
2
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85
ARG
HB3
.762
2
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2
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HB3
.762
2
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45
ARG
HB3
.762
2
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43
ARG
HB3
.762
2
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36
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HB3
.763
2
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140
ARG
HB3
.765
2
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26
ARG
HB3
.766
2
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28
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HB3
.767
2
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83
ARG
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.769
2
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40
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.77
2
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34
ARG
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.77
1
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25
ARG
HB3
.771
1
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13
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HB3
.772
2
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57
ARG
HB3
.775
2
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40
ARG
HB3
.775
2
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73
ARG
HB3
.776
2
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84
ARG
HB3
.778
1
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93
ARG
HB3
.778
2
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51
ARG
HB3
.779
2
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158
ARG
HB3
.78
.
4091
80
ARG
HB3
.78
2
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99
ARG
HB3
.78
2
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113
ARG
HB3
.78
2
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134
ARG
HB3
.781
2
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29
ARG
HB3
.782
2
11120
93
ARG
HB3
.783
2
11131
30
ARG
HB3
.784
2