Structural statistics:
str target upper limits van der Waals torsion angles
function # rms max # sum max # rms max
1 69.78 584 0.0707 0.98 43 34.6 0.46 3 2.2278 16.62
2 70.22 566 0.0709 0.97 40 35.1 0.45 3 2.2296 17.06
3 70.25 578 0.0708 0.99 41 34.8 0.45 6 2.1461 14.59
4 70.80 569 0.0711 0.99 43 36.1 0.46 3 2.1643 15.74
5 70.81 567 0.0708 1.01 47 35.5 0.45 7 2.2474 17.37
6 70.84 579 0.0711 1.29 43 35.6 0.45 6 2.0714 14.82
7 70.90 579 0.0705 1.03 47 37.1 0.47 6 2.3790 17.95
8 71.28 588 0.0712 0.99 43 36.3 0.46 5 2.3049 16.96
9 71.42 582 0.0712 0.97 44 36.4 0.46 5 2.2559 16.37
10 71.55 577 0.0714 0.96 45 34.8 0.46 6 2.2959 16.82
11 71.73 575 0.0711 1.05 48 37.7 0.47 6 2.3318 16.81
12 71.74 592 0.0718 1.03 44 34.6 0.46 5 2.1264 16.66
13 71.83 578 0.0711 0.98 46 36.6 0.45 6 2.3175 17.81
14 71.89 575 0.0714 0.96 42 37.3 0.46 6 2.0625 16.91
15 71.95 591 0.0712 1.01 46 37.2 0.47 5 2.3497 17.61
16 72.01 580 0.0719 1.00 42 35.4 0.45 5 2.1642 15.03
17 72.11 573 0.0721 1.20 42 35.4 0.44 6 2.1479 14.50
18 72.21 586 0.0719 0.98 48 36.2 0.44 6 2.2317 14.14
19 72.36 571 0.0722 0.98 41 35.3 0.46 3 2.1432 16.77
20 72.37 567 0.0719 1.00 46 35.7 0.45 6 2.2914 16.35
Ave 71.40 578 0.0713 1.02 44 35.9 0.46 5 2.2244 16.35
+/- 0.74 8 0.0005 0.08 2 0.9 0.01 1 0.0902 1.12
Min 69.78 566 0.0705 0.96 40 34.6 0.44 3 2.0625 14.14
Max 72.37 592 0.0722 1.29 48 37.7 0.47 7 2.3790 17.95
Cut 0.02 0.20 5.00
Constraints violated in 6 or more structures:
# mean max. 1 5 10 15 20
Upper HA THR 5 - HB THR 5 2.50 18 0.33 0.45 ++++++++++++*+++ ++ peak 33
Upper HA THR 5 - HA VAL 6 4.45 13 0.05 0.13 +++ +++ ++ ++ ++* peak 8669
Upper HA THR 5 - HB VAL 6 4.39 20 0.14 0.34 ++++++++++++*+++++++ peak 8661
Upper HA THR 5 - QG1 VAL 6 3.21 18 0.16 0.35 +++ ++++++++*+++++ + peak 8660
Upper HB THR 5 - QG1 VAL 6 4.14 18 0.12 0.42 ++++++++++ +++++++* peak 8659
Upper QG2 THR 5 - HA VAL 6 4.57 20 0.13 0.45 ++++++++++++++++*+++ peak 8666
Upper H VAL 6 - HB VAL 6 3.21 12 0.07 0.18 + + + +++ ++ +*++ peak 6031
Upper HA VAL 6 - HB VAL 6 2.89 6 0.04 0.13 + + + * ++ peak 48
Upper HA VAL 6 - HA HIS 7 4.96 7 0.13 0.40 + + ++* + + peak 8670
Upper QG1 VAL 6 - HA HIS 7 3.57 12 0.07 0.23 ++++ + ++* + +++ peak 8678
QG2 VAL 6 - HA HIS 7
Upper QG2 VAL 6 - QG2 THR 8 3.11 20 0.20 0.35 +++++*++++++++++++++ peak 8673
Upper H HIS 7 - HB THR 8 3.73 20 0.24 0.32 ++++++++++++++++++*+ peak 100
HB THR 8 - H SER 9
Upper H THR 8 - QG2 THR 8 3.64 20 0.18 0.31 ++++++*+++++++++++++ peak 6056
Upper HA THR 8 - HB THR 8 2.92 20 0.10 0.10 +++++*++++++++++++++ peak 97
Upper HA THR 8 - HB2 SER 9 4.44 18 0.29 0.34 +++++ ++++++++++ +*+ peak 8684
HA THR 8 - HB3 SER 9
Upper HA THR 8 - QG2 VAL 29 3.79 20 0.08 0.16 +++++++++++++*++++++ peak 8687
Upper HB THR 8 - QD PHE 10 4.59 20 0.67 0.77 ++++++++++++++++++*+ peak 8694
Upper HB THR 8 - QG2 VAL 29 4.04 20 0.63 0.66 ++++*+++++++++++++++ peak 8689
Upper QG2 THR 8 - HA SER 9 3.91 19 0.08 0.10 +++++ *+++++++++++++ peak 10280
Upper QG2 THR 8 - QD PHE 10 3.65 20 0.55 0.58 +++++++++++++++*++++ peak 8025
Upper QG2 THR 8 - QG1 VAL 29 3.65 20 0.07 0.17 +++++++++++++++++*++ peak 9061
Upper H SER 9 - HG3 GLN 27 4.09 15 0.11 0.21 +++++ ++++ ++ *++ + peak 742
HG3 GLN 27 - H ILE 28
Upper H SER 9 - QD1 ILE 28 3.50 20 0.29 0.31 +++++*++++++++++++++ peak 783
H ILE 28 - QD1 ILE 28
Upper H SER 9 - H VAL 29 3.95 20 0.16 0.19 +++++*++++++++++++++ peak 6366
H ILE 28 - H VAL 29
Upper HA SER 9 - HB2 PHE 10 3.96 20 0.67 0.69 +++++*++++++++++++++ peak 9425
Upper HA SER 9 - H ILE 28 4.35 20 0.19 0.24 ++++++++++++++++++*+ peak 9035
Upper HB3 SER 9 - QE PHE 10 4.38 20 1.00 1.20 ++++++++++++++++*+++ peak 8700
Upper H PHE 10 - HB3 PHE 10 3.18 20 0.75 0.76 ++++++++++++++++++*+ peak 6074
Upper H PHE 10 - QE PHE 10 4.33 20 0.39 0.44 ++++++++++*+++++++++ peak 8726
Upper H PHE 10 - H ILE 11 3.88 20 0.52 0.53 +++*++++++++++++++++ peak 6078
Upper H PHE 10 - HA ILE 11 4.14 20 0.65 0.66 +++++++++++*++++++++ peak 8725
Upper H PHE 10 - QG2 ILE 11 4.64 20 0.51 0.60 +++++++++++++++++++* peak 8737
Upper H PHE 10 - QG2 ILE 11 4.09 20 0.08 0.14 ++++++++++++++++++*+ peak 8708
H PHE 10 - QG1 VAL 69
Upper H PHE 10 - HG12 ILE 11 3.52 20 0.65 0.74 +++++++++++++*++++++ peak 8042
Upper H PHE 10 - QD1 ILE 11 4.48 19 0.10 0.14 +++++++++++++*+++ ++ peak 8908
QD1 ILE 11 - H VAL 29
Upper H PHE 10 - H ILE 28 3.31 20 0.27 0.33 +++++*++++++++++++++ peak 6068
Upper H PHE 10 - QG2 ILE 28 4.16 20 0.41 0.43 ++++++++++*+++++++++ peak 8709
Upper H PHE 10 - HG13 ILE 28 4.02 20 0.48 0.52 +++++*++++++++++++++ peak 8707
Upper H PHE 10 - QD1 ILE 28 4.08 20 0.09 0.11 ++++++++*+++++++++++ peak 8043
Upper H PHE 10 - QG1 VAL 69 3.29 20 0.34 0.38 ++++++++++++++++++*+ peak 2193
QG1 VAL 69 - H LEU 70
Upper HA PHE 10 - HG2 GLN 27 4.81 16 0.13 0.53 + +++ ++ ++++*+++++ peak 9005
Upper HA PHE 10 - HG3 GLN 27 4.69 19 0.58 0.76 +++++++++++++++++* + peak 9006
Upper HA PHE 10 - QD1 ILE 28 4.60 19 0.07 0.11 +++++++++++++++ +*++ peak 9047
Upper HA PHE 10 - QG1 VAL 69 3.65 20 0.54 0.66 +++++++++++++*++++++ peak 9803
Upper HB2 PHE 10 - QG1 VAL 25 3.27 20 0.65 0.71 +++++++++++*++++++++ peak 8154
Upper QD PHE 10 - H ILE 11 3.94 20 0.10 0.18 +++++++++++++++++*++ peak 6084
Upper QD PHE 10 - QG2 VAL 25 4.23 20 0.55 0.71 +++++++++++++++++*++ peak 8723
Upper QD PHE 10 - HG2 GLN 27 5.03 19 0.27 0.65 +++++ +++++++*++++++ peak 11088
Upper QD PHE 10 - QD1 LEU 36 3.46 20 0.55 0.62 +++++*++++++++++++++ peak 8241
Upper QD PHE 10 - QG2 VAL 69 3.78 20 0.21 0.31 +++++++++++++*++++++ peak 9793
HD21 ASN 68 - QG2 VAL 69
Upper QE PHE 10 - QG1 VAL 25 4.18 20 0.31 0.36 +++++++++++++++++*++ peak 8967
Upper QE PHE 10 - QG2 ILE 61 3.59 16 0.11 0.33 ++++++ +++ + * +++++ peak 8383
HZ3 TRP 60 - QG2 ILE 61
Upper HZ PHE 10 - H ILE 61 4.25 20 0.18 0.26 +++++++++++++*++++++ peak 6795
HE3 TRP 60 - H ILE 61
Upper HZ PHE 10 - QG2 ILE 61 3.84 15 0.06 0.23 +++++ +++ + * +++++ peak 11038
HE3 TRP 60 - QG2 ILE 61
Upper H ILE 11 - QG2 ILE 11 3.35 20 0.64 0.66 ++++++++++++++++*+++ peak 161
Upper H ILE 11 - QG2 ILE 11 3.30 20 0.27 0.34 +++++++++++++++++*++ peak 6089
H ILE 11 - QG2 VAL 25
Upper H ILE 11 - HG13 ILE 11 3.63 16 0.10 0.37 ++ ++ +++++++++ *++ peak 177
HG13 ILE 11 - H ASP 26
Upper H ILE 11 - H LEU 12 3.98 14 0.03 0.07 +++++* +++ ++ ++ + peak 6093
H ILE 11 - H GLN 27
Upper HA ILE 11 - QD1 ILE 11 3.62 19 0.42 0.47 +++++++++++++*+++ ++ peak 186
Upper HA ILE 11 - QD1 ILE 28 4.67 20 0.16 0.19 +++++++++++++*++++++ peak 9046
Upper QG2 ILE 11 - HG12 ILE 11 2.72 15 0.27 0.37 ++ ++ ++++++*++ ++ peak 165
Upper QG2 ILE 11 - QD1 ILE 11 2.50 16 0.12 0.69 ++ ++ +++++++++ *++ peak 167
Upper QG2 ILE 11 - QD1 ILE 11 2.40 15 0.04 0.20 ++ ++ +++++++++ * + peak 188
QD1 LEU 12 - QD1 ILE 23
Upper QG2 ILE 11 - HB3 LEU 12 3.40 20 0.20 0.41 ++++++++++++++++++*+ peak 8055
QG2 ILE 11 - HB VAL 103
Upper QG2 ILE 11 - HB2 ASP 26 3.29 20 0.71 0.91 +++++++++++++++++*++ peak 11205
Upper QG2 ILE 11 - HG12 ILE 28 3.40 20 0.49 0.56 ++++++++++++++++*+++ peak 8053
Upper QG2 ILE 11 - QD1 ILE 28 2.98 20 0.11 0.14 +++++++++++++*++++++ peak 8762
Upper QG2 ILE 11 - HA VAL 102 3.83 20 0.28 0.39 +*++++++++++++++++++ peak 8061
Upper QG2 ILE 11 - H VAL 103 4.32 20 0.13 0.30 +++++++++++++++++++* peak 8736
Upper HG12 ILE 11 - H LEU 12 3.97 20 0.66 0.71 +++++*++++++++++++++ peak 6099
Upper HG12 ILE 11 - H LEU 12 4.16 20 0.13 0.36 +++++*++++++++++++++ peak 176
HG12 ILE 11 - H GLN 27
Upper HG13 ILE 11 - H LEU 12 3.99 20 0.46 0.57 ++++++++++*+++++++++ peak 184
HG13 ILE 11 - H GLN 27
Upper HG13 ILE 11 - H LEU 12 4.61 20 0.05 0.09 +++++++++++++++++*++ peak 6100
Upper QD1 ILE 11 - H LEU 12 3.81 20 0.42 0.47 ++++++++++++++++*+++ peak 6101
Upper QD1 ILE 11 - HG2 LYS 13 4.12 13 0.10 0.33 ++++ ++++++ *++ peak 8803
Upper H LEU 12 - HB2 LEU 12 3.31 19 0.04 0.06 +++++++ ++*+++++++++ peak 6103
Upper H LEU 12 - QD1 LEU 12 3.69 20 0.23 0.28 ++++++++++++*+++++++ peak 225
H LEU 12 - QG2 VAL 25
Upper H LEU 12 - QD2 LEU 12 4.00 20 0.08 0.13 ++++++++++++++++++*+ peak 6107
Upper H LEU 12 - QG2 VAL 102 4.97 20 0.28 0.40 +++++++*++++++++++++ peak 8845
Upper HB2 LEU 12 - QG2 VAL 69 4.23 7 0.03 0.12 + ++ +*+ + peak 10842
Upper HB3 LEU 12 - QG1 VAL 69 3.41 20 0.42 0.48 ++++++++++++++++++*+ peak 10840
HB3 LEU 12 - QG2 VAL 103
Upper HB3 LEU 12 - QG1 VAL 69 3.72 20 0.43 0.56 +++++++++++*++++++++ peak 9814
Upper HG LEU 12 - HA VAL 102 3.44 19 0.20 0.27 ++++++++++++++*+++ + peak 3020
HA LEU 109 - HG LEU 109
Upper QD1 LEU 12 - H LYS 13 3.04 19 0.13 0.28 ++++++++++++++++* ++ peak 232
H LYS 13 - QG2 VAL 25
Upper QD1 LEU 12 - HA ILE 23 3.82 20 0.32 0.39 ++++++++++++++++++*+ peak 8155
Upper QD1 LEU 12 - QB ALA 24 3.45 20 0.10 0.14 +++++++*++++++++++++ peak 8772
QD1 LEU 12 - QG1 VAL 102
Upper QD1 LEU 12 - H GLN 72 4.18 20 0.32 0.51 +++++++++++++++++*++ peak 9858
Upper QD2 LEU 12 - H LYS 13 4.37 10 0.07 0.27 ++ + + + + +* ++ peak 6116
Upper QD2 LEU 12 - HB2 LYS 13 5.98 20 0.23 0.33 +*++++++++++++++++++ peak 10662
Upper QD2 LEU 12 - QG1 VAL 14 3.44 20 0.15 0.23 +++*++++++++++++++++ peak 8074
QD2 LEU 12 - QG1 VAL 76
Upper QD2 LEU 12 - HB3 GLN 72 3.75 9 0.02 0.08 ++ + +++ + + * peak 8476
Upper QD2 LEU 12 - QG1 VAL 76 3.47 20 0.31 0.40 +++*++++++++++++++++ peak 9956
Upper H LYS 13 - HD2 LYS 13 3.75 20 0.42 0.72 +++++++++++++++++++* peak 6123
H LYS 13 - HD3 LYS 13
Upper H LYS 13 - QG1 VAL 25 4.67 20 0.32 0.38 +++++++++++++*++++++ peak 8805
Upper HB2 LYS 13 - QG1 VAL 103 4.03 9 0.14 0.39 ++ + + + ++* + peak 10716
Upper HB3 LYS 13 - QG1 VAL 103 4.03 8 0.14 0.41 ++ + ++ + +* peak 8796
HB3 LYS 13 - QG2 VAL 103
Upper HG2 LYS 13 - HA ASP 26 3.91 20 0.20 0.70 +++++++++++++++++*++ peak 10801
HG3 LYS 13 - HA ASP 26
Upper HG2 LYS 13 - QE TYR 39 4.80 6 0.02 0.20 + + + *++ peak 8537
HG3 LYS 13 - QE TYR 39
Upper HG2 LYS 13 - QG1 VAL 103 3.04 13 0.12 0.23 ++ ++++ + *++++ + peak 10719
HG2 LYS 13 - QG2 VAL 103
Upper HG2 LYS 13 - QG1 VAL 103 3.13 6 0.02 0.07 + + + *++ peak 8538
HG3 LYS 13 - QG1 VAL 103
HG2 LYS 13 - QG2 VAL 103
Upper HD2 LYS 13 - HB VAL 103 3.82 7 0.07 0.27 ++ * + ++ + peak 8798
HD3 LYS 13 - HB VAL 103
Upper HE2 LYS 13 - QB ALA 24 4.14 18 0.09 0.16 ++++++++*+++++ +++ + peak 8802
Upper HE2 LYS 13 - QG1 VAL 103 3.60 6 0.06 0.24 * + + + + + peak 8801
Upper HE3 LYS 13 - QB ALA 24 4.62 17 0.15 0.37 ++++++++++++++*+ + peak 8807
Upper HE3 LYS 13 - QG1 VAL 103 3.72 15 0.15 0.37 + ++++ +++ + ++++*+ peak 8806
Upper H VAL 14 - QG1 VAL 103 3.70 17 0.20 0.33 ++++++++++++*+++ + peak 10221
Upper HB VAL 14 - QG1 VAL 76 3.10 19 0.09 0.16 ++ ++++++++*++++++++ peak 10930
Upper HB VAL 14 - HA VAL 102 5.13 18 0.10 0.19 ++++++++++++++++ *+ peak 11266
Upper QG1 VAL 14 - HB2 TRP 16 5.10 18 0.10 0.16 + *++++++++++++++ ++ peak 8832
Upper QG2 VAL 14 - HG13 ILE 23 4.06 7 0.02 0.13 + + *+ + + + peak 8142
HG13 ILE 23 - QD2 LEU 51
HG13 ILE 23 - HG12 ILE 77
Upper QG2 VAL 14 - QG2 VAL 102 3.26 17 0.05 0.09 + ++++++++++++*+ ++ peak 10303
Upper QG2 VAL 14 - QD PHE 104 5.02 9 0.04 0.16 + ++ +*+ ++ + peak 8818
Upper H LEU 15 - HG LEU 15 3.63 19 0.11 0.22 ++++++++++++++++* ++ peak 6152
H LEU 15 - QG2 ILE 23
Upper H LEU 15 - QD2 LEU 15 4.14 19 0.06 0.15 ++++++*++++++++++++ peak 404
Upper H LEU 15 - QG2 ILE 23 3.30 14 0.03 0.08 ++ + + +++++ ++* ++ peak 626
QG2 ILE 23 - H ALA 24
QG2 ILE 28 - H GLY 30
Upper HB2 LEU 15 - QD2 LEU 15 3.10 20 0.07 0.07 +++++++++++++++++*++ peak 406
Upper HB2 LEU 15 - HB2 SER 105 4.91 15 0.05 0.12 + ++ +++++*+++++ + peak 10836
HB2 LEU 15 - HB3 SER 105
Upper QD1 LEU 15 - QD2 LEU 17 3.71 20 0.11 0.13 +*++++++++++++++++++ peak 10210
Upper QD1 LEU 15 - HB2 SER 105 4.24 16 0.05 0.09 +++++++++++*+ ++ + peak 8535
QD1 LEU 15 - HB3 SER 105
Upper QD2 LEU 15 - QB ALA 22 3.66 8 0.02 0.11 * + + +++++ peak 8125
Upper QD2 LEU 15 - QE TYR 39 4.37 20 0.16 0.23 ++++++++++++++++*+++ peak 8104
Upper QD2 LEU 15 - HZ PHE 41 4.59 20 0.09 0.13 *+++++++++++++++++++ peak 8824
Upper QD2 LEU 15 - H SER 105 5.16 9 0.02 0.05 * + ++ + + ++ + peak 10255
Upper HB2 TRP 16 - H SER 105 6.00 13 0.03 0.13 + ++++ +++++ + +* peak 11048
Upper HB3 TRP 16 - QG2 VAL 21 4.47 19 0.10 0.16 + +++++++++++*++++++ peak 8871
QG2 VAL 21 - HA TRP 80
Upper HZ2 TRP 16 - QD2 LEU 83 3.63 14 0.06 0.25 *++ + ++ +++++++ + peak 10588
Upper HH2 TRP 16 - HB2 PHE 79 6.00 11 0.03 0.07 + ++ ++++ ++ *+ peak 11049
Upper HH2 TRP 16 - H TRP 80 4.31 18 0.06 0.12 + ++++*+++++++++ +++ peak 11037
Upper HH2 TRP 16 - QD2 LEU 83 3.65 20 0.12 0.21 +++++++*++++++++++++ peak 11199
Upper HA LEU 17 - HB2 ASP 18 3.87 20 0.49 0.98 +++++++++++++++*++++ peak 8853
Upper HB3 LEU 17 - H ASN 20 3.37 19 0.11 0.23 + ++++*+++++++++++++ peak 6237
Upper HG LEU 17 - H ASN 20 5.18 20 0.12 0.30 ++++++*+++++++++++++ peak 10299
Upper HB3 ASP 18 - HB3 GLN 19 4.77 20 0.13 0.46 +++++++++++*++++++++ peak 8847
Upper HA GLN 19 - HG2 GLN 19 3.07 6 0.01 0.03 ++ + + * + peak 533
HA GLN 19 - HG3 GLN 19
Upper HA GLN 19 - HE21 GLN 19 3.71 8 0.04 0.19 + ++ + + + + * peak 8856
HA GLN 19 - HD21 ASN 20
Upper HB2 GLN 19 - H ASN 20 3.74 19 0.05 0.10 ++++++ +++++++++*+++ peak 6234
Upper HG2 GLN 19 - H ASN 20 4.24 19 0.07 0.14 +++*++ +++++++++++++ peak 540
HG3 GLN 19 - H ASN 20
Upper H ASN 20 - HB2 ASN 20 3.79 19 0.12 0.18 ++++++ +*+++++++++++ peak 6241
Upper HA ASN 20 - HD2 PRO 43 4.26 7 0.03 0.13 +++ * ++ + peak 9244
Upper HA ASN 20 - HD3 PRO 43 4.21 11 0.03 0.08 +++*+ + + ++ + + peak 9245
Upper HB2 ASN 20 - HB2 ARG 44 6.00 18 0.16 0.40 ++++++ ++*+++++++ ++ peak 10897
Upper HB2 ASN 20 - HG2 ARG 44 5.31 11 0.10 0.54 + + ++++ ++++ * peak 10895
HB2 ASN 20 - HG3 ARG 44
Upper QG1 VAL 21 - HB2 TRP 42 3.65 16 0.08 0.21 +++++++ +++++++*+ peak 8117
QG1 VAL 21 - HB3 TRP 42
Upper QG1 VAL 21 - QB ALA 47 4.26 18 0.11 0.21 ++++++ ++++ +++*++++ peak 9293
Upper QG1 VAL 21 - QD1 ILE 77 3.69 20 0.16 0.22 ++++++++++++++++*+++ peak 9976
Upper QG1 VAL 21 - HA TRP 80 5.04 20 0.08 0.14 +*++++++++++++++++++ peak 11103
Upper QG2 VAL 21 - QG2 ILE 23 2.71 16 0.03 0.06 ++++ ++++++*++++ + peak 11149
Upper HA ALA 22 - H PHE 40 4.66 13 0.03 0.08 ++++ * +++ + ++ ++ peak 9225
Upper QB ALA 22 - H TYR 39 4.84 20 0.25 0.34 +++++*++++++++++++++ peak 8889
Upper QB ALA 22 - HB3 TYR 39 3.72 7 0.02 0.06 ++ + + ++ * peak 8130
Upper H ILE 23 - H ALA 24 4.05 20 0.45 0.46 ++++++++++++++++++*+ peak 6291
Upper HA ILE 23 - QD1 ILE 23 4.11 20 0.06 0.07 ++++++++++++++*+++++ peak 609
Upper QG2 ILE 23 - H ALA 24 3.34 20 0.40 0.46 +++++++++++++++++*++ peak 6294
Upper QG2 ILE 23 - H TRP 48 4.11 20 0.18 0.32 +++++++++++++++++*++ peak 11154
Upper QG2 ILE 23 - QB ALA 73 2.93 19 0.06 0.10 ++++++++++++++ +*+++ peak 8931
Upper QG2 ILE 23 - QG1 VAL 76 2.88 20 0.17 0.22 ++++++++++++*+++++++ peak 10929
QG1 VAL 76 - QG2 VAL 102
Upper HG12 ILE 23 - QD2 LEU 51 3.47 11 0.06 0.20 + +++ *+++++ + peak 8932
Upper QD1 ILE 23 - HA ALA 47 2.70 20 0.36 0.41 ++*+++++++++++++++++ peak 3000
HA LEU 109 - QD2 LEU 109
Upper QD1 ILE 23 - HA ALA 73 4.07 20 0.10 0.18 +++++++++++++++++++* peak 8919
Upper QD1 ILE 23 - QG2 ILE 77 4.36 14 0.03 0.11 ++ + + ++++ ++++ * + peak 8936
Upper H ALA 24 - HA VAL 25 4.55 19 0.13 0.14 ++++++++++*++++++ ++ peak 10318
Upper H ALA 24 - QE TYR 39 5.41 6 0.01 0.05 ++ + * + + peak 8963
Upper HA ALA 24 - HB THR 37 4.23 20 0.18 0.24 ++*+++++++++++++++++ peak 9182
HB THR 37 - HA SER 38
Upper QG1 VAL 25 - QD2 LEU 51 3.46 20 0.52 0.60 +++++*++++++++++++++ peak 10911
Upper QG2 VAL 25 - H ASP 26 3.34 20 0.24 0.27 +++++++++++++++++++* peak 6314
Upper QG2 VAL 25 - HA ASP 26 4.77 20 0.64 0.65 +++++++++++++++++++* peak 8993
Upper HA ASP 26 - HB THR 33 5.33 20 0.13 0.36 +++++++++++++++++*++ peak 11279
Upper HA ASP 26 - HB2 PRO 35 4.83 20 0.33 0.36 +++++++++++++++*++++ peak 11276
Upper HA ASP 26 - HG LEU 36 5.32 20 0.56 0.65 +++++++++*++++++++++ peak 11275
Upper HA ASP 26 - QD1 LEU 36 4.71 20 0.24 0.29 +++++*++++++++++++++ peak 9159
QD1 LEU 36 - HG1 THR 37
Upper HB3 ASP 26 - HA THR 33 4.77 20 0.33 0.39 +++++++++*++++++++++ peak 8225
Upper HB3 ASP 26 - HB THR 33 3.14 17 0.06 0.14 ++*+++++++ ++ +++++ peak 8217
Upper HB3 ASP 26 - QG2 THR 33 3.18 20 0.13 0.21 +++++++++++++++++*++ peak 8218
Upper HB3 ASP 26 - H SER 34 3.86 7 0.03 0.26 + + ++ ++* peak 8216
Upper H GLN 27 - HG2 GLN 27 3.76 16 0.41 0.73 +++++*++++ ++ +++ + peak 6328
Upper H GLN 27 - QG2 VAL 29 5.04 20 0.12 0.16 +++++++++++++++++++* peak 10344
Upper H GLN 27 - HB THR 33 4.07 20 0.71 0.80 ++++++++++*+++++++++ peak 9113
Upper H GLN 27 - QG2 THR 33 4.11 20 0.63 0.66 +++*++++++++++++++++ peak 8227
Upper H GLN 27 - H SER 34 3.34 19 0.09 0.15 +++++ ++++*+++++++++ peak 6321
Upper H GLN 27 - HB2 PRO 35 5.43 20 0.13 0.19 ++++++++++++++*+++++ peak 11002
Upper H GLN 27 - HB3 PRO 35 4.85 20 0.84 0.89 +++++*++++++++++++++ peak 11001
Upper H GLN 27 - HG LEU 36 5.36 20 0.22 0.48 +++++++++++++++++*++ peak 11261
Upper HA GLN 27 - HB ILE 28 4.10 20 0.46 0.48 ++*+++++++++++++++++ peak 9032
Upper HA GLN 27 - HG12 ILE 28 4.22 20 0.36 0.41 +++++*++++++++++++++ peak 9040
Upper HB2 GLN 27 - H ILE 28 3.40 20 0.46 0.66 +++++*++++++++++++++ peak 6353
Upper HB3 GLN 27 - H SER 34 4.10 19 0.33 0.44 +++++ ++++*+++++++++ peak 9120
Upper HG2 GLN 27 - H ILE 28 3.64 20 0.23 0.73 ++++++++++++++*+++++ peak 6354
Upper HG2 GLN 27 - HB2 SER 34 3.92 15 0.60 0.84 +++++ +++* ++ +++ + peak 9122
Upper HG2 GLN 27 - QD1 LEU 36 3.68 20 0.39 0.48 ++++++++++++++++++*+ peak 8254
Upper HG3 GLN 27 - HE22 GLN 27 3.41 20 0.38 0.48 ++++++++++++*+++++++ peak 6347
Upper HG3 GLN 27 - H ILE 28 3.67 20 0.53 0.70 +++++++++++++++*++++ peak 6355
Upper HE21 GLN 27 - QD1 LEU 36 3.80 20 0.50 0.55 +++++*++++++++++++++ peak 9150
Upper HE22 GLN 27 - QG1 VAL 29 4.91 20 0.70 0.76 ++++++++++*+++++++++ peak 9077
Upper HE22 GLN 27 - QG2 VAL 29 3.62 17 0.04 0.07 +++++ ++++++++*++ + peak 10326
Upper HE22 GLN 27 - QD2 LEU 36 4.98 20 0.29 0.34 +++++++++++*++++++++ peak 9147
Upper HE22 GLN 27 - HZ3 TRP 60 2.99 12 0.03 0.12 +++++* +++ + ++ peak 10812
HE22 GLN 27 - HH2 TRP 60
Upper H ILE 28 - QG2 ILE 28 3.27 20 0.49 0.49 ++*+++++++++++++++++ peak 6360
Upper H ILE 28 - QD1 ILE 28 3.53 20 0.49 0.51 +++++++++*++++++++++ peak 6363
Upper HB ILE 28 - QD1 ILE 28 2.88 12 0.02 0.03 ++++ + +++ + * ++ peak 785
Upper HB ILE 28 - H VAL 29 3.74 20 0.26 0.35 +++++*++++++++++++++ peak 6368
Upper HB ILE 28 - QG2 THR 33 3.61 20 0.26 0.30 +++++*++++++++++++++ peak 9107
Upper QG2 ILE 28 - HG12 ILE 28 2.87 20 0.13 0.14 +++++++++++++++++*++ peak 763
Upper HG12 ILE 28 - HA THR 33 4.46 20 0.92 0.95 ++++++++++++++*+++++ peak 9041
Upper HG12 ILE 28 - QG2 THR 33 3.20 20 0.22 0.24 +++++++++*++++++++++ peak 9105
Upper HG13 ILE 28 - H VAL 29 3.88 20 0.40 0.44 ++*+++++++++++++++++ peak 6371
Upper QD1 ILE 28 - H VAL 29 3.38 20 0.64 0.70 +++++*++++++++++++++ peak 6372
Upper QD1 ILE 28 - HB THR 33 4.58 20 0.15 0.24 +++++++++++++++++*++ peak 9103
Upper H VAL 29 - QG1 VAL 29 3.40 20 0.41 0.43 ++++++++*+++++++++++ peak 809
Upper H VAL 29 - QG2 VAL 29 2.77 20 0.43 0.52 +++++++++++++++++*++ peak 6375
Upper H VAL 29 - HA3 GLY 30 4.17 20 0.13 0.24 +++++++++++++++++*++ peak 9067
H VAL 29 - HB THR 33
Upper H VAL 29 - H SER 34 3.94 7 0.02 0.09 ++ + +* ++ peak 9080
Upper HA VAL 29 - HA2 GLY 30 4.47 20 0.07 0.07 +++++++++++++++++*++ peak 8205
Upper QG1 VAL 29 - HA LYS 31 3.73 20 0.57 0.59 +++++++++*++++++++++ peak 9095
Upper QG1 VAL 29 - HA2 GLY 32 4.61 20 0.48 0.54 +++++++++++++++++*++ peak 9098
Upper QG1 VAL 29 - HA3 GLY 32 4.89 19 0.04 0.07 +++++*+++++++++++ ++ peak 9099
QG2 VAL 29 - HA3 GLY 32
Upper QG1 VAL 29 - H THR 33 4.18 20 0.12 0.29 +++++++++++++++++*++ peak 8212
QG2 VAL 29 - H THR 33
Upper QG1 VAL 29 - HB2 SER 34 3.80 20 0.36 1.29 +++++*++++++++++++++ peak 8190
Upper QG1 VAL 29 - HB3 SER 34 3.56 20 0.84 0.98 ++++++++++++++++++*+ peak 8191
Upper QG2 VAL 29 - H GLY 32 4.58 15 0.03 0.05 ++++++ +++++*++ + peak 9084
Upper HA LYS 31 - HB2 LYS 31 2.67 20 0.30 0.34 ++++*+++++++++++++++ peak 825
Upper HA LYS 31 - HG2 LYS 31 3.09 20 0.45 0.52 ++++*+++++++++++++++ peak 857
Upper HA LYS 31 - HD2 LYS 31 2.88 20 0.22 0.40 ++++++++++++*+++++++ peak 830
HA LYS 31 - HD3 LYS 31
Upper HA LYS 31 - HE2 LYS 31 4.09 11 0.24 0.45 ++++ + + + + * ++ peak 832
HA LYS 31 - HE3 LYS 31
Upper HA LYS 31 - H GLY 32 3.20 20 0.23 0.26 +++++++++++++++++*++ peak 6403
Upper HB2 LYS 31 - HD2 LYS 31 2.59 20 0.55 0.60 +++++++++*++++++++++ peak 841
HB2 LYS 31 - HD3 LYS 31
Upper HB3 LYS 31 - HE2 LYS 31 3.12 20 0.16 0.23 +++++++++++*++++++++ peak 914
HB3 LYS 31 - HE3 LYS 31
Upper HG2 LYS 31 - HD2 LYS 31 2.49 11 0.02 0.04 +++* + + + + + ++ peak 893
HG2 LYS 31 - HD3 LYS 31
Upper HG3 LYS 31 - H GLY 32 4.53 20 0.31 0.45 ++++++++++++++++*+++ peak 6407
Upper H GLY 32 - H THR 33 3.48 20 0.09 0.12 ++*+++++++++++++++++ peak 6414
Upper HA2 GLY 32 - QG2 THR 33 3.99 20 0.26 0.28 ++++++++++++++++*+++ peak 8222
Upper HA3 GLY 32 - H THR 33 2.78 19 0.65 0.69 +++++++++++++++++ +* peak 6418
Upper H THR 33 - HB THR 33 3.44 20 0.29 0.30 ++++++++++++*+++++++ peak 6420
Upper H THR 33 - QG2 THR 33 3.16 20 0.40 0.43 +++++++++++++++++*++ peak 6421
Upper H THR 33 - H SER 34 4.05 20 0.35 0.36 *+++++++++++++++++++ peak 6422
Upper HA THR 33 - HB2 SER 34 4.20 20 0.45 0.55 +++++*++++++++++++++ peak 9116
Upper HA THR 33 - HB3 SER 34 4.00 20 0.21 0.30 +++++++++++++++++*++ peak 9117
Upper QG2 THR 33 - H SER 34 3.14 6 0.02 0.15 + ++ ++* peak 944
Upper H SER 34 - HB2 SER 34 3.26 19 0.24 0.32 +++++ +++*++++++++++ peak 6429
Upper HA SER 34 - HB3 SER 34 2.84 19 0.16 0.17 +++++ ++++++++++++*+ peak 954
Upper HA SER 34 - HG2 PRO 35 3.79 20 0.61 0.63 +++++++++++++++++*++ peak 10944
Upper HA SER 34 - HG3 PRO 35 3.70 20 0.72 0.74 +++++++++++++++++*++ peak 10945
Upper HA PRO 35 - H THR 37 3.88 20 0.31 0.36 +++++++++++++++++*++ peak 8268
Upper HB2 PRO 35 - H THR 37 5.53 20 0.09 0.13 +++++*++++++++++++++ peak 8256
Upper HB3 PRO 35 - H THR 37 4.67 20 0.20 0.24 +++++*++++++++++++++ peak 9139
Upper HG2 PRO 35 - H LEU 36 5.26 20 0.47 0.56 +++++*++++++++++++++ peak 11000
Upper HG3 PRO 35 - H LEU 36 4.97 16 0.04 0.07 +++++++ ++ +++ ++*+ peak 11003
Upper HA LEU 36 - QD2 LEU 36 3.65 20 0.10 0.12 ++++++++++++++*+++++ peak 1050
Upper HB2 LEU 36 - HG LEU 36 2.40 19 0.05 0.23 +++++ ++++++++++++*+ peak 3021
HB2 LEU 109 - HG LEU 109
Upper HB2 LEU 36 - QG2 THR 37 3.61 20 0.25 0.29 ++++++++++++++*+++++ peak 8261
Upper HB3 LEU 36 - QD1 LEU 36 3.05 20 0.13 0.14 ++++++++++++++*+++++ peak 1060
Upper QD1 LEU 36 - H THR 37 4.07 20 0.30 0.36 ++++++++++++++*+++++ peak 1064
Upper QD1 LEU 36 - QG2 THR 37 2.92 20 0.77 0.86 ++++++++++++++*+++++ peak 9170
Upper QD1 LEU 36 - QD2 LEU 55 3.29 19 0.07 0.15 ++++++++++++++*++++ peak 8250
Upper QD1 LEU 36 - HD3 LYS 58 3.05 19 0.35 0.44 +++++++++ ++*+++++++ peak 10873
Upper QD2 LEU 36 - H THR 37 4.24 19 0.04 0.08 +++++ +*++++++++++++ peak 1056
Upper QD2 LEU 36 - HD3 LYS 58 3.62 11 0.02 0.06 ++ ++ ++ +++ + * peak 10874
Upper QD2 LEU 36 - HE1 TRP 60 4.66 20 0.29 0.34 +++++++*++++++++++++ peak 9599
Upper H THR 37 - QD1 LEU 51 4.33 20 0.67 0.77 ++*+++++++++++++++++ peak 9195
Upper HA THR 37 - HB2 SER 38 3.92 20 0.69 0.84 +++++++++++++++++*++ peak 8273
Upper HA THR 37 - HB3 SER 38 4.07 20 0.57 0.60 ++*+++++++++++++++++ peak 8274
Upper QG2 THR 37 - H SER 38 3.90 13 0.03 0.15 ++ + + ++++++++ * peak 6462
Upper QG2 THR 37 - HG3 GLU 54 3.44 20 0.13 0.26 ++++++++++++++++++*+ peak 8343
Upper QG2 THR 37 - HE2 LYS 58 3.87 20 0.20 0.25 ++*+++++++++++++++++ peak 9557
Upper HB2 SER 38 - H TYR 39 3.48 16 0.04 0.09 +++*+++++ ++++ + ++ peak 1089
Upper HB2 SER 38 - QE PHE 40 3.98 8 0.03 0.17 +++* ++ ++ peak 8271
HB2 SER 38 - HZ PHE 40
Upper HB3 SER 38 - H TYR 39 3.31 20 0.17 0.20 ++++++*+++++++++++++ peak 1094
Upper QD TYR 39 - H PHE 40 4.33 16 0.08 0.13 +++ +++ ++ ++++*++ + peak 6483
Upper HA PHE 40 - HB3 PHE 41 5.41 9 0.04 0.12 ++* + ++ + ++ peak 9229
Upper HA PHE 40 - QB ALA 47 4.35 14 0.04 0.12 ++++ +++++++ *+ + peak 10401
Upper HB2 PHE 40 - QD1 LEU 51 5.67 17 0.07 0.23 +++++++ ++ + +++++*+ peak 10888
Upper HB3 PHE 40 - QD2 LEU 51 5.06 14 0.04 0.14 ++ +++ ++++ ++*+ + peak 10910
HB3 TRP 48 - QD2 LEU 51
Upper QD PHE 40 - H GLN 50 4.92 20 0.16 0.24 +*++++++++++++++++++ peak 9383
Upper QD PHE 40 - QD1 LEU 51 3.72 20 0.18 0.25 ++++++++++++++++*+++ peak 9220
Upper HZ PHE 40 - H GLU 54 4.08 20 0.39 0.47 ++++++++++*+++++++++ peak 9452
Upper HZ PHE 40 - HA GLU 54 4.55 20 0.29 0.44 +++*++++++++++++++++ peak 9454
Upper HB3 PHE 41 - H ARG 44 5.21 11 0.11 0.29 *+ + +++++ ++ + peak 10901
Upper HB3 PHE 41 - HG2 ARG 44 3.71 8 0.02 0.09 + + +* ++++ peak 10903
HB3 PHE 41 - HG3 ARG 44
Upper HB2 TRP 42 - QB ALA 45 4.32 9 0.05 0.23 + ++ *++ ++ + peak 8300
HB3 TRP 42 - QB ALA 45
QB ALA 45 - HB3 ASP 46
Upper HZ3 TRP 42 - H ALA 47 4.86 15 0.09 0.20 ++ + +++++++ +++ +* peak 9264
Upper HZ3 TRP 42 - QD1 ILE 77 4.45 20 0.05 0.11 +++++++++++++++++*++ peak 9969
HH2 TRP 42 - QD1 ILE 77
Upper HG2 PRO 43 - HH2 TRP 80 6.00 10 0.03 0.09 +*++ ++ +++ + peak 10908
Upper H ARG 44 - HB2 ARG 44 3.36 6 0.02 0.14 ++*+ ++ peak 6532
Upper H ARG 44 - HB3 ARG 44 3.36 9 0.11 0.25 ++ + *+ + + ++ peak 6533
Upper H ARG 44 - HG2 ARG 44 3.49 11 0.14 0.55 + + ++++ ++++ * peak 6535
H ARG 44 - HG3 ARG 44
Upper HB2 ARG 44 - HD2 ARG 44 3.13 11 0.09 0.19 ++ + +++++ +* + peak 1307
HB2 ARG 44 - HD3 ARG 44
Upper HB2 ARG 44 - HA ALA 45 4.38 9 0.07 0.18 ++ + *+ + + ++ peak 9272
HG2 ARG 44 - HA ALA 45
Upper HG2 ARG 44 - H ALA 45 3.64 19 0.24 0.54 +++++++++*+++++++ ++ peak 6545
HG3 ARG 44 - H ALA 45
Upper QB ALA 45 - H ASP 46 3.04 16 0.18 0.32 + ++++++++++*++++ peak 6554
Upper QB ALA 45 - HA ASP 46 4.62 16 0.09 0.20 + ++++++++++*++++ peak 8298
Upper QB ALA 45 - H ALA 47 4.87 6 0.01 0.07 + ++++* peak 8301
Upper QB ALA 45 - HE21 GLN 50 3.42 19 0.16 0.28 +++++++++ +++++*++++ peak 9393
Upper HA ASP 46 - QB ALA 47 3.76 20 0.24 0.27 ++++++++++++++*+++++ peak 9274
Upper HA ALA 47 - HG3 GLN 50 4.94 17 0.13 0.28 +++++++++++ ++ + +*+ peak 10415
Upper QB ALA 47 - HB3 GLN 50 4.04 20 0.22 0.27 +++++++++++*++++++++ peak 8306
Upper HA TRP 48 - HE1 TRP 48 4.01 20 0.17 0.20 +++++++*++++++++++++ peak 9342
HE1 TRP 48 - HA THR 74
Upper HA TRP 48 - H LYS 52 4.38 11 0.12 0.28 + +++ +++*++ + peak 9424
Upper HB3 TRP 48 - QD1 ILE 77 3.34 15 0.10 0.19 ++ +++ ++++ ++++ + * peak 2463
HA ILE 77 - QD1 ILE 77
Upper HD1 TRP 48 - H ALA 73 4.42 7 0.01 0.07 + ++ + + + * peak 9894
Upper HE1 TRP 48 - H LEU 70 4.50 20 0.23 0.27 ++++++++++++++++*+++ peak 9309
Upper HE1 TRP 48 - HG LEU 70 4.08 20 0.39 0.47 +++*++++++++++++++++ peak 9346
Upper HE1 TRP 48 - H ALA 73 4.29 16 0.03 0.12 ++++++*+ +++++++ + peak 9308
Upper HE1 TRP 48 - QB ALA 73 3.23 19 0.09 0.16 ++++++++++++++++ *++ peak 9345
Upper HE1 TRP 48 - QG2 THR 74 4.53 20 0.17 0.29 +++++*++++++++++++++ peak 9347
Upper HZ3 TRP 48 - HE3 LYS 52 3.90 17 0.14 0.24 ++ +++ ++++++++ +*++ peak 9444
Upper HZ2 TRP 48 - HA LEU 70 4.68 20 0.09 0.21 ++++++*+++++++++++++ peak 9833
Upper HH2 TRP 48 - HB3 LYS 52 6.00 11 0.23 0.62 + +++ ++++*+ + peak 10824
Upper H GLN 49 - HG2 GLN 49 4.31 20 0.27 0.31 +++++++++++*++++++++ peak 9360
Upper H GLN 49 - HG3 GLN 49 4.19 9 0.04 0.20 + + + ++ *++ + peak 9361
Upper HA GLN 49 - H ASP 53 3.97 10 0.04 0.12 + +++ ++++ * + peak 6659
HA LEU 51 - H ASP 53
Upper HB2 GLN 49 - HE21 GLN 49 4.69 20 0.13 0.14 +++++++++++*++++++++ peak 6568
Upper HB3 GLN 49 - HE21 GLN 49 3.38 20 0.25 0.36 +++++++++++*++++++++ peak 6569
Upper HB3 GLN 49 - H GLN 50 3.65 20 0.22 0.27 +++++++++++++*++++++ peak 6584
Upper HG2 GLN 49 - HE21 GLN 49 3.20 20 0.57 0.60 +++++++++++++*++++++ peak 6570
Upper HG2 GLN 49 - H GLN 50 4.08 13 0.07 0.24 + ++ + ++++*++ ++ peak 6585
Upper HG3 GLN 49 - HE21 GLN 49 3.40 20 0.67 0.67 +++++++++++*++++++++ peak 6571
Upper HG3 GLN 49 - HE22 GLN 49 3.25 20 0.24 0.26 +++++++++++*++++++++ peak 6578
Upper HE21 GLN 49 - HD3 LYS 52 3.96 12 0.07 0.25 ++ ++ +*++ + ++ + peak 9376
Upper HE22 GLN 49 - H ASP 53 4.73 20 0.23 0.43 ++++++++++++++*+++++ peak 9448
Upper H GLN 50 - HB2 GLN 50 3.53 16 0.03 0.06 ++++ ++++*++ ++++ + peak 6590
Upper H GLN 50 - HE22 GLN 50 4.73 20 0.23 0.45 ++++++++++++++*+++++ peak 6595
Upper HA GLN 50 - HE21 GLN 50 5.02 20 0.22 0.35 ++++++++++++++++++*+ peak 6600
Upper HA GLN 50 - HE22 GLN 50 4.53 19 0.15 0.23 ++*++++++ ++++++++++ peak 6608
Upper HG3 GLN 50 - HE21 GLN 50 3.66 16 0.35 0.44 +++++++++ + ++ + ++* peak 6604
Upper HG3 GLN 50 - HE22 GLN 50 3.48 16 0.06 0.07 +++++++++ + ++ + ++* peak 6612
Upper HG3 GLN 50 - HB3 ASP 53 4.89 13 0.10 0.36 + +++++ +++ ++* + peak 10437
Upper H LEU 51 - QD1 LEU 51 3.86 20 0.34 0.42 ++++++++++++++*+++++ peak 1482
Upper H LEU 51 - QD2 LEU 51 3.84 20 0.30 0.32 ++++++++++*+++++++++ peak 6629
H LEU 51 - HB2 LYS 52
Upper H LEU 51 - QD2 LEU 51 4.04 20 0.17 0.20 +++++++++++*++++++++ peak 1474
Upper H LEU 51 - H ASP 53 4.22 10 0.06 0.27 + +++ ++ ++* + peak 6658
Upper HA LEU 51 - QD2 LEU 51 3.63 17 0.11 0.17 +++++++++++ ++ + *++ peak 1444
HA GLN 49 - HB2 LYS 52
Upper HA LEU 51 - QD2 LEU 51 3.77 20 0.14 0.21 ++++++++++++++*+++++ peak 1475
Upper HA LEU 51 - HB2 GLU 54 4.22 9 0.06 0.17 *+ + ++++ + + peak 1448
Upper HB3 LEU 51 - QD1 LEU 51 2.84 18 0.31 0.35 ++++++++++ +++*++ ++ peak 1485
Upper QD1 LEU 51 - H LYS 52 3.83 11 0.06 0.24 + +++ *+++++ + peak 6643
Upper QD1 LEU 51 - HG2 GLU 54 4.20 14 0.15 0.33 ++ + ++++ ++++ ++* peak 8346
Upper QD1 LEU 51 - HA LEU 70 4.40 20 0.40 0.53 ++++++++++++++++++*+ peak 9822
Upper QD1 LEU 51 - HG LEU 70 3.13 20 0.69 0.80 ++++++++++++++++++*+ peak 11286
Upper QD2 LEU 51 - H LYS 52 3.10 20 0.20 0.28 ++*+++++++++++++++++ peak 6645
H LYS 52 - HB2 LYS 52
Upper QD2 LEU 51 - QG2 VAL 69 2.75 8 0.03 0.13 ++ + +++ * + peak 11169
Upper H LYS 52 - HG3 LYS 52 3.98 9 0.06 0.25 ++ + + + + + *+ peak 6648
Upper H LYS 52 - HD3 LYS 52 3.81 9 0.05 0.32 ++ + +++ * + + peak 6650
Upper H LYS 52 - H GLU 54 3.89 20 0.28 0.39 ++++++++++*+++++++++ peak 6654
Upper HA LYS 52 - HD2 LYS 52 4.72 11 0.29 0.75 ++++ +++++ + * peak 1551
Upper HA LYS 52 - HD3 LYS 52 4.39 19 0.24 0.57 ++++++++++++++++ +*+ peak 1562
Upper HB2 LYS 52 - H ASP 53 3.76 6 0.08 0.31 ++ + + * + peak 6662
Upper HB2 LYS 52 - H GLU 54 4.92 9 0.02 0.07 +++ ++ * + ++ peak 9471
H GLU 54 - QD1 LEU 55
Upper HB3 LYS 52 - QD1 LEU 70 4.07 10 0.05 0.17 + ++* ++++++ peak 10431
Upper HG2 LYS 52 - HE2 LYS 52 3.90 15 0.16 0.28 +++++ ++++++ *++ + peak 1576
Upper HG2 LYS 52 - HE3 LYS 52 3.23 16 0.10 0.31 ++++*+++ + +++ ++ ++ peak 1587
HB2 PHE 10 - QG2 VAL 69
Upper HG2 LYS 52 - QD1 LEU 70 3.55 9 0.23 0.60 ++ + ++*+ + + peak 10432
Upper HG3 LYS 52 - H ASP 53 4.74 11 0.08 0.18 + +++ ++*+++ + peak 6665
Upper HD2 LYS 52 - QD1 LEU 70 4.01 16 0.24 0.42 ++ +++ ++++ *+ +++++ peak 10434
Upper HD3 LYS 52 - H ASP 53 4.68 12 0.27 0.83 ++ +++ ++++* ++ peak 1571
Upper HE2 LYS 52 - QD1 LEU 70 4.07 8 0.03 0.11 ++ +* + + + + peak 9442
Upper H ASP 53 - HB2 ASP 53 3.20 7 0.03 0.17 + +++ + *+ peak 6671
Upper H ASP 53 - QD2 LEU 70 4.10 12 0.18 0.40 + +++ +++*++ ++ peak 9843
QD2 LEU 70 - H ALA 73
Upper HA ASP 53 - H GLU 54 3.41 20 0.11 0.13 +++++++++++*++++++++ peak 6681
Upper HA ASP 53 - H LEU 55 4.38 20 0.36 0.48 +++++++++++++*++++++ peak 6695
Upper HA ASP 53 - HB3 GLU 56 2.86 14 0.04 0.09 ++++ ++++ +* +++ + peak 3046
HA GLU 110 - HB3 GLU 110
Upper HA ASP 53 - HG3 GLU 56 4.53 9 0.05 0.15 + +++ + + + *+ peak 9529
Upper HA ASP 53 - H ALA 57 3.77 20 0.12 0.23 ++++++++++*+++++++++ peak 6729
Upper H GLU 54 - HB2 GLU 54 3.01 20 0.34 0.40 ++*+++++++++++++++++ peak 6685
Upper H GLU 54 - HG2 GLU 54 3.66 20 0.23 0.29 +++++++++++++*++++++ peak 6687
Upper H GLU 54 - H ALA 57 4.25 20 0.37 0.46 ++++++++++*+++++++++ peak 9453
Upper H GLU 54 - QB ALA 57 4.45 20 0.09 0.18 ++++++++++*+++++++++ peak 9532
Upper HA GLU 54 - HG2 GLU 54 3.39 20 0.11 0.18 ++*+++++++++++++++++ peak 1618
Upper HA GLU 54 - H GLU 56 4.50 20 0.23 0.32 +++++++++++++*++++++ peak 8564
Upper HA GLU 54 - H ALA 57 3.73 18 0.07 0.12 +++++++ +++++*+++++ peak 6730
Upper HB2 GLU 54 - HG3 GLU 54 2.91 17 0.04 0.08 ++* ++++++++++++++ peak 1648
Upper HB2 GLU 54 - QB ALA 57 4.55 20 0.27 0.31 +++++++*++++++++++++ peak 9472
Upper HG3 GLU 54 - H LEU 55 4.50 20 0.31 0.34 *+++++++++++++++++++ peak 1652
Upper H LEU 55 - QD1 LEU 55 3.45 20 0.23 0.32 ++++++++++++++++++*+ peak 6706
Upper H LEU 55 - QB ALA 57 4.32 20 0.26 0.31 +++++++*++++++++++++ peak 9533
Upper HA LEU 55 - HA GLU 56 4.08 20 0.73 0.75 ++++++++++*+++++++++ peak 9527
Upper HA LEU 55 - HG3 LYS 58 4.60 20 0.31 0.45 ++++++++++++++*+++++ peak 9564
Upper HB2 LEU 55 - H ALA 57 4.29 7 0.03 0.14 ++ + * + + + peak 9538
H ALA 57 - HB3 LYS 58
Upper HG LEU 55 - H GLU 56 3.85 8 0.05 0.27 + ++ + + ++ * peak 6719
Upper QD1 LEU 55 - H GLU 56 4.14 20 0.35 0.42 ++++++++++++++++*+++ peak 6720
Upper QD1 LEU 55 - QD1 ILE 61 4.48 18 0.13 0.26 ++++++++++ + +++++*+ peak 9511
Upper QD1 LEU 55 - HG3 ARG 66 3.40 7 0.01 0.06 ++ + ++ * + peak 9712
HG3 ARG 66 - QD1 LEU 70
Upper QD1 LEU 55 - HB VAL 69 3.68 14 0.04 0.12 ++ ++++++*++ + + + peak 10472
Upper QD1 LEU 55 - QG1 VAL 69 2.84 20 0.27 0.34 ++++++++++++++*+++++ peak 8451
Upper QD2 LEU 55 - QB ALA 57 4.37 20 0.29 0.35 +++++++++++++++++*++ peak 9544
QB ALA 57 - HB2 LYS 58
Upper QD2 LEU 55 - HE2 LYS 58 3.84 18 0.07 0.16 ++*+++++++ + +++++++ peak 1828
HB2 LYS 58 - HE2 LYS 58
Upper QD2 LEU 55 - QD1 ILE 61 3.28 18 0.25 0.36 ++++++ +++++++ ++++* peak 8351
Upper H GLU 56 - HB3 GLU 56 3.05 20 0.53 0.54 +++++++++++++*++++++ peak 6724
Upper H GLU 56 - QB ALA 57 3.71 20 0.52 0.55 +++++++++++++*++++++ peak 9534
Upper HA GLU 56 - HG2 GLU 56 3.46 9 0.06 0.19 + +++ + + + +* peak 1727
Upper HA GLU 56 - HG3 GLU 56 3.40 11 0.11 0.30 ++ + + + + ++*++ peak 1734
Upper HB2 GLU 56 - QB ALA 57 3.91 20 0.31 0.38 ++++++++++++++*+++++ peak 8357
Upper HB3 GLU 56 - HG3 GLU 56 2.80 11 0.03 0.10 ++ +++ + +* ++ + peak 1736
Upper HB3 GLU 56 - H ALA 57 3.72 19 0.12 0.19 +++++++++ +++*++++++ peak 6736
Upper HG2 GLU 56 - H ALA 57 4.57 18 0.10 0.24 +++++++++*++ ++ ++++ peak 6737
Upper HG3 GLU 56 - H ALA 57 4.72 8 0.03 0.11 ++ + + * + ++ peak 1739
Upper H ALA 57 - HG2 LYS 58 4.42 16 0.12 0.19 ++++++ +++ + + ++++* peak 9539
Upper HA ALA 57 - H LYS 58 3.39 20 0.12 0.14 ++++++++++*+++++++++ peak 6744
Upper H LYS 58 - HB2 LYS 58 3.34 20 0.28 0.31 ++++++++++++*+++++++ peak 6747
Upper H LYS 58 - HD2 LYS 58 3.64 19 0.35 0.49 +++++++++ ++++++++*+ peak 6751
Upper H LYS 58 - HE1 TRP 60 4.67 20 0.14 0.17 +++++++++++++++++*++ peak 9581
HE1 TRP 60 - H ILE 61
Upper H LYS 58 - QD1 ILE 61 3.89 20 0.23 0.35 ++++++++++++*+++++++ peak 9545
Upper HA LYS 58 - HD2 LYS 58 3.89 20 0.78 0.87 ++++++++++*+++++++++ peak 1755
Upper HA LYS 58 - HD3 LYS 58 4.01 20 0.38 0.67 +++++++++*++++++++++ peak 1756
Upper HG2 LYS 58 - HE3 LYS 58 3.64 15 0.10 0.16 ++ ++ *+++ +++++ + + peak 1841
Upper HD3 LYS 58 - HE1 TRP 60 4.20 12 0.04 0.15 +++* ++ + + ++++ peak 9596
Upper HD3 LYS 58 - HZ2 TRP 60 4.66 19 0.17 0.35 +++++++++ ++++++*+++ peak 9574
Upper HE2 LYS 58 - HZ2 TRP 60 4.77 17 0.21 0.37 +++++ ++++ +++*+ +++ peak 9575
Upper HA TRP 60 - HD1 TRP 60 4.08 20 0.34 0.40 ++++++++++*+++++++++ peak 1873
Upper HA TRP 60 - HE3 TRP 60 3.85 20 0.42 0.46 +++++++++++++*++++++ peak 1874
Upper HB2 TRP 60 - HE3 TRP 60 3.96 20 0.12 0.15 ++++++++++*+++++++++ peak 1884
Upper HD1 TRP 60 - H ILE 61 4.16 20 0.12 0.30 ++++++*+++++++++++++ peak 6794
Upper H ILE 61 - HG12 ILE 61 3.05 16 0.43 0.56 ++++++ +++ + + ++*++ peak 6803
H ILE 61 - HG13 ILE 61
Upper H ILE 61 - H ALA 62 4.10 20 0.46 0.50 ++++++++++++*+++++++ peak 6805
Upper HA ILE 61 - HA ALA 62 4.33 20 0.06 0.17 ++++++++++++++*+++++ peak 9633
Upper HA ILE 61 - QB ALA 62 3.38 20 0.47 0.50 +++++++++++++++*++++ peak 8389
Upper HB ILE 61 - H ALA 62 4.16 16 0.06 0.12 ++++++ +++ + + *++++ peak 6809
Upper QG2 ILE 61 - QD1 ILE 61 2.76 16 0.34 0.43 ++++++ +++ + + *++++ peak 1921
Upper QG2 ILE 61 - QB ALA 62 3.62 16 0.05 0.08 ++++++ +++ + + ++++* peak 8393
Upper QG2 ILE 61 - H ASP 65 4.01 20 0.41 0.52 ++++++++++++*+++++++ peak 8382
Upper QG2 ILE 61 - HA ASP 65 4.86 17 0.23 0.32 +++++* +++ +++ +++++ peak 9627
Upper QG2 ILE 61 - HG2 ARG 66 3.97 17 0.34 0.64 ++++++ +++ ++* +++++ peak 9711
Upper QG2 ILE 61 - HG3 ARG 66 3.74 17 0.13 0.22 ++++++ ++* +++ +++++ peak 9713
Upper H ALA 62 - H GLU 63 4.52 13 0.02 0.04 +++++ + + + *++++ peak 6816
Upper HA ALA 62 - HB2 GLU 63 4.24 20 0.34 0.39 ++++++++++++++*+++++ peak 8573
Upper HA ALA 62 - H ALA 64 4.01 20 0.61 0.64 ++++++++++++*+++++++ peak 9692
Upper QB ALA 62 - HB3 GLU 63 4.25 17 0.04 0.07 ++++++ +++ +++ +++*+ peak 9657
Upper QB ALA 62 - H ALA 64 2.98 20 0.22 0.30 ++++++++++++*+++++++ peak 10459
Upper QB ALA 62 - QB ALA 64 3.01 20 0.21 0.31 ++++++++++++*+++++++ peak 8392
Upper QB ALA 62 - H ARG 66 3.94 20 0.17 0.35 ++++++++++++++*+++++ peak 9646
Upper QB ALA 62 - H ARG 66 3.08 20 0.14 0.18 +++++++++++++*++++++ peak 6859
H ARG 66 - HB2 ARG 66
H ARG 66 - HG13 ILE 67
Upper H GLU 63 - HG2 GLU 63 3.62 20 0.37 0.45 ++++++++++++++++*+++ peak 1986
H GLU 63 - HG3 GLU 63
Upper H GLU 63 - H ALA 64 2.83 20 0.32 0.37 ++++++++++++*+++++++ peak 6829
Upper H GLU 63 - QB ALA 64 4.37 20 0.27 0.32 ++++++++++++*+++++++ peak 9659
Upper H GLU 63 - H ASP 65 4.22 20 0.08 0.16 ++++++*+++++++++++++ peak 6840
Upper HA GLU 63 - HA ALA 64 4.51 20 0.29 0.31 ++++++++++*+++++++++ peak 9669
Upper HA GLU 63 - HB3 ARG 66 3.67 20 0.21 0.45 ++++++*+++++++++++++ peak 1964
Upper HB2 GLU 63 - H ALA 64 3.27 20 0.35 0.40 ++++++++++*+++++++++ peak 6831
Upper HB3 GLU 63 - HG12 ILE 67 4.56 20 0.31 0.38 ++++++++++++*+++++++ peak 9756
Upper HG2 GLU 63 - H ALA 64 3.19 20 0.09 0.11 +++++++*++++++++++++ peak 6834
Upper HG2 GLU 63 - QB ALA 64 3.91 20 0.30 0.35 ++++++++++++*+++++++ peak 8400
Upper HG2 GLU 63 - HB ILE 67 3.46 20 0.17 0.27 ++++++++++++++*+++++ peak 8399
Upper HG2 GLU 63 - QD1 ILE 67 2.72 14 0.10 0.35 ++ ++ +++ +* +++++ peak 8433
HG3 GLU 63 - QD1 ILE 67
Upper H ALA 64 - H ARG 66 4.05 20 0.22 0.37 +++++++++++++*++++++ peak 6852
Upper H ALA 64 - HB ILE 67 4.18 20 0.23 0.35 ++++++*+++++++++++++ peak 8411
Upper H ALA 64 - QD1 ILE 67 4.74 20 0.48 0.58 +++++++++++++++++++* peak 9682
Upper QB ALA 64 - H ARG 66 3.96 20 0.51 0.63 +++++++++++++*++++++ peak 9725
Upper QB ALA 64 - QG2 ILE 67 3.98 20 0.39 0.54 ++++++*+++++++++++++ peak 8427
Upper QB ALA 64 - HD22 ASN 68 4.97 20 0.22 0.27 ++++++++++++++++*+++ peak 9775
Upper H ASP 65 - HB2 ASP 65 3.20 19 0.33 0.39 +++++++++++++ *+++++ peak 6846
Upper H ASP 65 - HB3 ASN 68 4.55 20 0.39 0.41 ++++++++++++++++*+++ peak 9779
Upper HA ASP 65 - HD21 ASN 68 4.17 20 0.14 0.16 ++++++++*+++++++++++ peak 6909
HA ASN 68 - HD21 ASN 68
Upper HA ASP 65 - QG2 VAL 69 4.51 13 0.03 0.06 ++ +* +++ ++ ++ ++ peak 9800
Upper H ARG 66 - HG2 ARG 66 3.93 15 0.06 0.11 ++++++ +++ + ++*++ peak 6861
Upper H ARG 66 - H ASN 68 4.02 20 0.17 0.26 +++++++++++++*++++++ peak 6891
Upper H ARG 66 - QG1 VAL 69 4.54 20 0.29 0.32 ++++++++++++++++++*+ peak 9704
Upper HA ARG 66 - HB VAL 69 4.00 20 0.70 0.74 +++++++++++++++++++* peak 2175
Upper HA ARG 66 - QG1 VAL 69 3.36 20 0.11 0.20 ++++++++++*+++++++++ peak 8454
Upper HB3 ARG 66 - H ILE 67 3.53 17 0.06 0.10 ++++++ *++ +++ +++++ peak 6875
Upper H ILE 67 - QG2 ILE 67 3.34 20 0.41 0.42 ++++++++++++++*+++++ peak 6882
Upper H ILE 67 - HG12 ILE 67 3.34 20 0.55 0.59 +++++++++++++++++*++ peak 2116
Upper H ILE 67 - HB3 ASN 68 4.27 20 0.21 0.32 ++++++*+++++++++++++ peak 8442
Upper HA ILE 67 - HG12 ILE 67 3.32 20 0.18 0.21 ++++++++++++++++++*+ peak 2117
Upper HA ILE 67 - HG13 ILE 67 3.25 20 0.10 0.29 ++++++++++++++*+++++ peak 2097
Upper HB ILE 67 - QD1 ILE 67 2.89 20 0.27 0.29 ++++++++++++++++++*+ peak 2134
Upper QG2 ILE 67 - HG13 ILE 67 3.04 17 0.07 0.09 ++++++ +++ +++ +++*+ peak 2113
Upper QG2 ILE 67 - QD1 ILE 67 2.40 20 0.09 0.27 ++++++++++*+++++++++ peak 2135
Upper QG2 ILE 67 - H ASN 68 3.18 6 0.02 0.13 ++ ++ * + peak 6896
Upper QG2 ILE 67 - HB2 ASN 71 4.52 18 0.12 0.19 ++++ ++ +++++*++++++ peak 9855
Upper HG12 ILE 67 - H ASN 68 4.53 20 0.41 0.46 ++++++*+++++++++++++ peak 2123
Upper HG12 ILE 67 - QD1 LEU 70 4.43 20 0.62 0.73 +++++++++*++++++++++ peak 9754
Upper HG13 ILE 67 - H ASN 68 3.83 20 0.43 0.46 +++++*++++++++++++++ peak 6898
Upper QD1 ILE 67 - H ASN 68 4.20 17 0.14 0.17 ++++++ +++ *++ +++++ peak 2139
Upper QD1 ILE 67 - HB3 LEU 70 3.52 20 0.13 0.18 ++++++++++++++++*+++ peak 8432
Upper QD1 ILE 67 - HD21 ASN 71 4.81 20 0.08 0.14 ++++++++++++++*+++++ peak 9735
Upper H ASN 68 - HD21 ASN 68 4.49 20 0.68 0.71 +++++++++++++++++*++ peak 6908
Upper HA ASN 68 - HB2 ASN 71 2.95 18 0.80 0.94 ++++ ++ ++*+++++++++ peak 2148
Upper HB2 ASN 68 - HD22 ASN 71 3.97 20 0.37 0.41 +++++++++++++*++++++ peak 9783
Upper HB3 ASN 68 - HD21 ASN 68 3.05 20 0.42 0.42 +++++++*++++++++++++ peak 6911
Upper HB3 ASN 68 - QG1 VAL 69 3.57 20 0.07 0.13 ++++++++++++++++++*+ peak 8443
Upper HB3 ASN 68 - QG2 VAL 69 4.13 20 0.23 0.29 +++++++*++++++++++++ peak 8444
Upper HB3 ASN 68 - H LEU 70 4.60 18 0.16 0.20 ++++ ++ +++++++++*++ peak 9824
H LEU 70 - HB2 ASN 71
Upper HB3 ASN 68 - H LEU 70 4.58 20 0.48 0.50 ++++++++++++++++++*+ peak 9786
Upper HD22 ASN 68 - HE21 GLN 72 4.00 20 0.17 0.21 ++++++++++*+++++++++ peak 9785
Upper H VAL 69 - HB VAL 69 3.10 20 0.51 0.52 +++++*++++++++++++++ peak 2176
Upper HA VAL 69 - QG2 VAL 69 3.01 20 0.19 0.19 +++++*++++++++++++++ peak 2183
Upper HA VAL 69 - H GLN 72 3.51 20 0.13 0.16 +++++++*++++++++++++ peak 6987
Upper HA VAL 69 - HB3 GLN 72 3.98 20 0.44 0.49 ++++++++++++++*+++++ peak 2293
Upper HA VAL 69 - H ALA 73 3.75 20 0.60 0.63 +++++++++++++++++++* peak 7022
Upper HB VAL 69 - H LEU 70 3.51 20 0.22 0.26 ++++*+++++++++++++++ peak 2181
Upper QG1 VAL 69 - H LEU 70 3.27 20 0.59 0.61 ++++++++++++++++++*+ peak 6945
Upper QG1 VAL 69 - QD2 LEU 70 5.15 20 0.31 0.39 +++++++++++++*++++++ peak 9820
Upper QG1 VAL 69 - HE21 GLN 72 3.79 20 0.31 0.35 ++++++++*+++++++++++ peak 9798
Upper QG2 VAL 69 - H GLN 72 4.39 20 0.61 0.66 +++++++*++++++++++++ peak 9859
Upper QG2 VAL 69 - QB ALA 73 3.54 20 0.71 0.76 ++++++++++++++++*+++ peak 8449
Upper H LEU 70 - HB2 LEU 70 3.36 20 0.21 0.22 ++++++*+++++++++++++ peak 6947
Upper H LEU 70 - QD1 LEU 70 3.18 20 0.25 0.36 +++++++++*++++++++++ peak 6951
Upper H LEU 70 - QD2 LEU 70 3.50 20 0.31 0.35 ++++++++++++++++*+++ peak 6950
Upper H LEU 70 - H ALA 73 4.19 20 0.52 0.54 ++++++++++++++++*+++ peak 10479
Upper HA LEU 70 - QD1 LEU 70 3.71 20 0.18 0.19 ++++++*+++++++++++++ peak 2200
Upper HG LEU 70 - H ASN 71 4.29 20 0.28 0.32 +++++++*++++++++++++ peak 2229
Upper QD1 LEU 70 - H ASN 71 4.27 20 0.26 0.31 +++++++++*++++++++++ peak 6965
Upper QD2 LEU 70 - H ASN 71 4.72 20 0.12 0.17 ++++++++++++++++*+++ peak 6964
Upper H ASN 71 - HB2 ASN 71 3.25 18 0.20 0.24 ++++ ++ ++*+++++++++ peak 6967
Upper HA ASN 71 - HG3 GLN 72 4.60 20 0.48 0.51 +++++++*++++++++++++ peak 9853
Upper HA ASN 71 - QB ALA 73 4.43 20 0.65 0.68 +++++++++++++*++++++ peak 10486
Upper HA ASN 71 - QG2 THR 74 3.66 20 0.12 0.19 +++*++++++++++++++++ peak 9854
Upper HA ASN 71 - H GLU 75 4.57 20 0.17 0.34 +++++++++++++++++++* peak 10487
Upper HB2 ASN 71 - HD21 ASN 71 3.62 18 0.20 0.23 ++++ ++ ++++*+++++++ peak 6976
Upper H GLN 72 - HB2 GLN 72 3.27 20 0.30 0.31 +++++++*++++++++++++ peak 6997
Upper H GLN 72 - QB ALA 73 3.77 20 0.26 0.27 +++++++++++*++++++++ peak 9857
Upper HA GLN 72 - HG2 GLN 72 3.34 20 0.63 0.69 +++++++*++++++++++++ peak 2304
Upper HA GLN 72 - HG3 GLN 72 3.35 20 0.21 0.21 +++++*++++++++++++++ peak 2276
Upper HA GLN 72 - HE21 GLN 72 4.76 20 0.77 0.81 +++++*++++++++++++++ peak 2277
Upper HA GLN 72 - HA ALA 73 4.58 20 0.20 0.22 +++++++*++++++++++++ peak 9871
Upper HA GLN 72 - H THR 74 4.31 20 0.17 0.22 ++++++++++++++++++*+ peak 7042
Upper HA GLN 72 - HG2 GLU 75 3.62 16 0.07 0.12 +++ + ++*+++++++ ++ peak 10922
Upper HA GLN 72 - HB3 GLU 101 3.81 20 0.26 0.33 ++++++++*+++++++++++ peak 9673
Upper HB2 GLN 72 - H ALA 73 3.58 20 0.11 0.14 ++++++++++++++*+++++ peak 7028
Upper HB3 GLN 72 - H ALA 73 3.86 20 0.27 0.28 ++*+++++++++++++++++ peak 2302
Upper HB3 GLN 72 - H GLU 101 4.46 20 0.33 0.43 +*++++++++++++++++++ peak 10491
Upper HG3 GLN 72 - HE21 GLN 72 3.60 20 0.08 0.10 +++++++*++++++++++++ peak 7011
Upper HE22 GLN 72 - QG2 VAL 102 4.51 14 0.06 0.14 + +* + ++++ ++ ++++ peak 9886
Upper QB ALA 73 - QG2 THR 74 4.28 16 0.04 0.09 + ++++++++++*+++ + peak 9906
QB ALA 73 - QG1 VAL 76
Upper H THR 74 - HG3 GLU 75 5.11 7 0.01 0.04 + + * ++ + + peak 10500
Upper HA THR 74 - QG2 ILE 77 4.06 20 0.09 0.11 +++++++++++++++*++++ peak 9907
Upper HB THR 74 - HB2 GLU 75 5.21 20 0.17 0.30 +++++++++++++++++++* peak 9911
HB THR 74 - HB3 GLU 75
Upper QG2 THR 74 - QD1 ILE 77 4.06 20 0.18 0.24 +++++*++++++++++++++ peak 9977
QG1 VAL 76 - QD1 ILE 77
Upper H GLU 75 - QG2 VAL 76 4.13 20 0.38 0.41 ++++*+++++++++++++++ peak 11257
Upper H GLU 75 - HD22 ASN 78 5.03 20 0.07 0.10 +++*++++++++++++++++ peak 9944
H LEU 83 - HE21 GLN 86
Upper HA GLU 75 - HG3 GLU 75 3.50 16 0.26 0.33 +++ + *+++++++++ ++ peak 2355
Upper HA GLU 75 - HB2 ASN 78 3.88 20 0.10 0.15 +++++++*++++++++++++ peak 2358
Upper HB2 GLU 75 - HB VAL 76 3.91 20 0.67 0.70 +++++*++++++++++++++ peak 9963
Upper HA VAL 76 - H TRP 80 3.62 20 0.20 0.26 +++*++++++++++++++++ peak 7152
Upper QG1 VAL 76 - HZ PHE 99 4.69 19 0.21 0.28 + ++++++*+++++++++++ peak 10985
Upper QG1 VAL 76 - HZ PHE 104 4.07 11 0.03 0.07 + +++*+ +++ + + peak 9918
Upper QG2 VAL 76 - H ILE 77 3.75 20 0.10 0.13 ++++++++++++++++++*+ peak 2411
Upper QG2 VAL 76 - H PHE 79 4.55 20 0.39 0.42 +++*++++++++++++++++ peak 10505
Upper H ILE 77 - QD1 ILE 77 3.53 20 0.07 0.09 +++++++++++++++++*++ peak 2462
Upper HA ILE 77 - QD1 ILE 77 3.76 20 0.03 0.04 +++++++*++++++++++++ peak 2424
Upper HB2 ASN 78 - HD22 ASN 78 3.76 20 0.08 0.09 ++++++*+++++++++++++ peak 7130
Upper HD21 ASN 78 - H PHE 79 5.13 18 0.03 0.05 +++++++ +++++++ *+++ peak 9994
Upper H PHE 79 - QD PHE 79 3.94 20 0.20 0.25 ++*+++++++++++++++++ peak 7147
Upper HA PHE 79 - HB2 ASP 82 3.78 6 0.02 0.11 * ++ + + + peak 10371
Upper QD PHE 79 - QD PHE 99 3.97 14 0.04 0.11 + + ++ +++ + +*++++ peak 10846
Upper QE PHE 79 - HA TRP 80 4.22 9 0.04 0.24 *++ +++ ++ + peak 2524
HA TRP 80 - HE3 TRP 80
Upper QE PHE 79 - HD3 LYS 98 3.85 12 0.03 0.13 * +++++ + + ++ ++ peak 10148
HD3 LYS 98 - QD PHE 99
Upper HA TRP 80 - HB2 LEU 83 5.15 6 0.01 0.08 + * + + ++ peak 9999
Upper HA TRP 80 - QD2 LEU 83 3.74 8 0.04 0.15 +* +++ + + + peak 10580
Upper HZ2 TRP 80 - HE3 LYS 84 3.86 12 0.06 0.26 ++* +++ ++ +++ + peak 11007
Upper HA GLN 81 - HB2 LYS 84 4.71 8 0.03 0.12 + + +*+++ + peak 11174
Upper HA GLN 81 - HB3 LYS 84 4.21 8 0.02 0.09 + +++ *+ ++ peak 11173
Upper H ASP 82 - HB2 ASP 82 3.08 18 0.09 0.14 + *+++++++++++ +++++ peak 10375
Upper HB3 ASP 82 - QD2 LEU 83 4.13 19 0.08 0.15 + +*++++++++++++++++ peak 10247
Upper HA LEU 83 - HE21 GLN 86 4.64 15 0.03 0.06 +++ +* ++ ++++++++ peak 10138
Upper QD1 LEU 83 - QG2 ILE 90 3.50 15 0.04 0.19 +++ +*+++++ ++++ + peak 10569
Upper QD2 LEU 83 - HB2 GLN 86 4.39 14 0.05 0.15 +++ ++ ++ +++*++ + peak 10567
QD2 LEU 83 - HG2 GLN 86
Upper QD2 LEU 83 - HA LYS 88 4.21 20 0.18 0.24 +*++++++++++++++++++ peak 10071
Upper QD2 LEU 83 - HD2 LYS 88 3.14 10 0.05 0.15 +++ ++ +++* + peak 10085
QD2 LEU 83 - HD3 LYS 88
Upper QD2 LEU 83 - HE2 LYS 88 3.25 10 0.11 0.32 + ++++++ ++* peak 10084
QD2 LEU 83 - HE3 LYS 88
Upper QD2 LEU 83 - QG2 ILE 90 3.03 9 0.02 0.13 +* + + + + +++ peak 10570
Upper HA LYS 84 - H LYS 88 4.68 20 0.14 0.24 ++++++*+++++++++++++ peak 10053
Upper H GLN 86 - HG3 LYS 88 4.83 10 0.07 0.17 + ++++*+ +++ peak 10679
Upper HA GLN 86 - HG3 GLN 86 3.24 20 0.10 0.14 +++++++++++++++*++++ peak 3330
Upper HA GLN 86 - HE22 GLN 86 4.91 20 0.12 0.16 ++++++++++++++++*+++ peak 7515
Upper HB2 GLN 86 - HE2 LYS 88 3.33 16 0.04 0.08 ++++++++ * +++++ ++ peak 10083
Upper HB3 GLN 86 - HB2 LYS 88 4.61 6 0.02 0.07 + *+ + + + peak 10077
Upper HB3 GLN 86 - HB3 LYS 88 3.79 6 0.02 0.10 * ++ + + + peak 10087
Upper HB3 GLN 86 - HD2 LYS 88 3.77 10 0.03 0.11 +++ ++ ++*+ + peak 10088
HB3 GLN 86 - HD3 LYS 88
Upper HG2 GLN 86 - H ASN 87 4.51 20 0.48 0.53 +++++++++*++++++++++ peak 3360
Upper HG3 GLN 86 - HE21 GLN 86 3.25 20 0.29 0.33 +++++++++++++++*++++ peak 7511
Upper HG3 GLN 86 - H ASN 87 4.54 17 0.07 0.13 +++++++*+++++ ++++ peak 3369
Upper H ASN 87 - HB3 ASN 87 3.43 20 0.65 0.66 ++++++*+++++++++++++ peak 3384
Upper H ASN 87 - HD21 ASN 87 4.94 20 0.18 0.19 ++*+++++++++++++++++ peak 7537
Upper H ASN 87 - H LYS 88 2.60 17 0.05 0.09 +++++++++ + ++*+++ + peak 7549
Upper HA ASN 87 - HB2 ASN 87 2.79 20 0.15 0.16 +++++++*++++++++++++ peak 3378
Upper HA ASN 87 - H LYS 88 2.88 20 0.19 0.23 *+++++++++++++++++++ peak 3376
Upper HA ASN 87 - HA LYS 88 4.06 20 0.75 0.78 +++*++++++++++++++++ peak 10672
Upper HB2 ASN 87 - H LYS 88 3.44 20 0.58 0.62 ++++++++++++++++++*+ peak 3383
Upper HB3 ASN 87 - HD21 ASN 87 3.44 20 0.40 0.43 +++++++++++*++++++++ peak 7540
Upper HB3 ASN 87 - H LYS 88 3.63 20 0.54 0.58 +++++++*++++++++++++ peak 3390
Upper H LYS 88 - HB2 LYS 88 3.51 16 0.06 0.08 ++++++++ + +++++ +* peak 7556
Upper HA LYS 88 - HG2 LYS 88 3.49 6 0.02 0.08 + ++ + * + peak 3395
Upper HA LYS 88 - HG3 LYS 88 3.55 10 0.11 0.23 *++ ++ ++++ + peak 3396
Upper HA LYS 88 - HE2 LYS 88 4.22 14 0.21 0.32 +*+ ++ + + ++++++ + peak 3480
HA LYS 88 - HE3 LYS 88
Upper HA LYS 88 - H GLN 89 3.37 13 0.13 0.20 ++++*++ + +++ ++ peak 3401
Upper HB2 LYS 88 - HG2 LYS 88 2.91 16 0.03 0.05 *+++++++ + +++++ ++ peak 3426
Upper HB2 LYS 88 - HG3 LYS 88 2.58 20 0.16 0.42 ++++++++++*+++++++++ peak 3437
Upper HB3 LYS 88 - HE2 LYS 88 3.65 19 0.14 0.21 ++++++++++++++*+ +++ peak 3482
HB3 LYS 88 - HE3 LYS 88
Upper HG2 LYS 88 - HE2 LYS 88 2.82 16 0.14 0.39 +++++++* + +++++ ++ peak 3483
HG2 LYS 88 - HE3 LYS 88
Upper HG3 LYS 88 - H GLN 89 4.65 7 0.03 0.33 + + + *+++ peak 7571
Upper HG3 LYS 88 - QG2 ILE 90 4.20 8 0.06 0.22 + + ++ * +++ peak 10076
Upper H GLN 89 - HB2 GLN 89 3.98 9 0.02 0.07 + +++ + + + * + peak 3499
Upper HB3 GLN 89 - H ILE 90 4.45 7 0.04 0.18 +* + + + ++ peak 3516
Upper HB ILE 90 - H GLU 94 3.28 20 0.09 0.13 ++++++++++++++*+++++ peak 7181
H GLU 94 - HB2 GLU 94
Upper QG2 ILE 90 - HG3 GLU 94 4.23 14 0.04 0.16 + +++++ +++++* ++ peak 10117
Upper QD1 ILE 90 - HG2 GLU 94 3.65 9 0.02 0.11 *++ ++++ ++ peak 10115
Upper QD1 ILE 90 - HG3 GLU 94 3.93 16 0.07 0.21 ++ ++++*++++ +++++ peak 10118
Upper QE MET 92 - QB ALA 93 4.29 19 0.08 0.16 ++++ +++++++++*+++++ peak 11034
Upper QE MET 92 - HE22 GLN 96 4.49 7 0.01 0.05 + + + + +* + peak 11019
Upper QE MET 92 - HA SER 105 3.96 7 0.03 0.18 * +++ ++ + peak 11022
Upper QE MET 92 - HB2 SER 105 4.50 12 0.04 0.15 +++++ + + +*++ + peak 11024
QE MET 92 - HB3 SER 105
Upper QB ALA 93 - HB3 GLU 94 4.32 19 0.07 0.16 ++ +++++++++++++*+++ peak 9474
Upper QB ALA 93 - HG3 GLU 94 3.85 19 0.05 0.08 +++++++++++++++* +++ peak 10093
QB ALA 93 - HG2 GLN 96
Upper HA GLU 94 - HG2 GLU 94 3.10 20 0.12 0.20 ++++++++++++++++*+++ peak 2610
Upper HG2 GLU 94 - H ALA 95 4.36 11 0.04 0.15 ++ ++ +++++* + peak 2615
Upper HG3 GLU 94 - H ALA 95 4.78 17 0.06 0.11 +++++*+ +++++++ + ++ peak 2622
Upper HG3 GLN 96 - QE PHE 104 4.87 20 0.27 0.37 +++++++++++++++*++++ peak 10965
Upper HE21 GLN 96 - QE PHE 104 4.62 12 0.03 0.08 ++++++++*++ + peak 11260
Upper H GLY 97 - H PHE 99 4.68 12 0.03 0.09 + +*+++ ++ + + + + peak 10141
Upper HG3 LYS 98 - QD PHE 99 5.37 9 0.03 0.10 +* ++ +++ + + peak 10915
Upper HD2 LYS 98 - HA PHE 99 4.50 7 0.03 0.21 ++ + *+ + + peak 10160
Upper HA PHE 99 - HB2 PRO 100 4.83 20 0.18 0.31 ++++++++++++++++*+++ peak 8583
Upper HA PHE 99 - HG2 PRO 100 3.53 20 0.25 0.31 ++++++++++++++++*+++ peak 10186
HA PHE 99 - HG3 PRO 100
Upper HB3 PHE 99 - HD2 PRO 100 4.26 17 0.39 0.49 + +++++++++++*++ ++ peak 10191
Upper QD PHE 99 - HG2 PRO 100 5.08 19 0.11 0.18 + +++++++++++++++*++ peak 10180
QD PHE 99 - HG3 PRO 100
Upper QD PHE 99 - H GLU 101 4.34 17 0.16 0.26 + ++++++++*+++++ ++ peak 10182
Upper HB2 PRO 100 - H GLU 101 4.22 20 0.11 0.14 +++++++++++++++++*++ peak 2811
Upper HD2 PRO 100 - H GLU 101 3.81 17 0.08 0.10 + ++++++++++++++ *+ peak 7261
Upper H GLU 101 - HB2 GLU 101 2.98 20 0.66 0.67 +++++++*++++++++++++ peak 7264
Upper H GLU 101 - QG1 VAL 102 5.17 20 0.33 0.41 +++++++++++++++++++* peak 10203
Upper HA GLU 101 - HG2 GLU 101 2.66 20 0.26 0.29 +*++++++++++++++++++ peak 2841
Upper HA GLU 101 - QG2 VAL 102 3.94 20 0.29 0.37 +++++++++++*++++++++ peak 10204
Upper HB2 GLU 101 - HG2 GLU 101 2.40 17 0.03 0.04 +++ ++++ + +++++*+++ peak 2866
HB2 GLU 101 - HG3 GLU 101
Upper HB2 GLU 101 - H VAL 102 4.56 14 0.02 0.04 * +++ +++++++++ + peak 2849
Upper HB2 GLU 101 - HA VAL 102 5.21 20 0.09 0.13 +*++++++++++++++++++ peak 8172
Upper HB3 GLU 101 - H VAL 102 3.53 20 0.30 0.39 *+++++++++++++++++++ peak 2856
Upper HG2 GLU 101 - H VAL 102 3.68 20 0.26 0.34 ++++++++*+++++++++++ peak 2870
HG3 GLU 101 - H VAL 102
Upper HG3 GLU 101 - QG2 VAL 102 3.69 20 0.10 0.18 +*++++++++++++++++++ peak 10206
Upper HB VAL 103 - HA PHE 104 4.34 20 0.39 0.60 ++++++++++++++++*+++ peak 10229
Upper H LEU 109 - HB3 LEU 109 3.48 9 0.02 0.06 +++ * + +++ + peak 7351
H LEU 109 - HG LEU 109
Upper H LEU 109 - HG LEU 109 4.02 10 0.04 0.16 +++ + + * +++ + peak 3019
Upper HA LEU 109 - QD1 LEU 109 3.28 19 0.11 0.39 +++++++++++ ++++++*+ peak 3001
Upper HA LEU 109 - QD2 LEU 109 2.91 20 0.44 0.49 +++++++*++++++++++++ peak 3028
Upper HB2 LEU 109 - QD2 LEU 109 2.90 18 0.24 0.28 +++++*+++++ ++++++ + peak 3029
Upper HB2 LEU 109 - H GLU 110 3.37 13 0.04 0.10 + + + ++++*++ +++ peak 7358
Upper HB3 LEU 109 - QD1 LEU 109 2.94 19 0.18 0.21 +++++*+++++ ++++++++ peak 3017
Upper H GLU 110 - HG2 GLU 110 3.96 7 0.02 0.14 + + + * + + + peak 7366
Upper HA GLU 110 - HG3 GLU 110 3.12 6 0.01 0.07 ++ + * + + peak 3048
Upper HB2 GLU 110 - HG2 GLU 110 2.58 9 0.05 0.13 ++ + *+ + +++ peak 3066
Upper HB2 GLU 110 - HG3 GLU 110 2.77 20 0.12 0.23 ++++++++++*+++++++++ peak 3073
Upper HB3 GLU 110 - HG2 GLU 110 2.88 11 0.04 0.12 ++ ++*++ + +++ peak 3067
Upper HB3 GLU 110 - HG3 GLU 110 2.82 6 0.01 0.04 + *+ + ++ peak 3062
VdW CG2 THR 8 - O ILE 28 2.90 16 0.21 0.22 ++++ ++++++ + + ++*+
VdW CB SER 9 - HB ILE 28 2.60 20 0.37 0.40 +++++*++++++++++++++
VdW C SER 9 - CD1 PHE 10 3.10 9 0.20 0.45 + ++ ++ ++ + *
VdW C SER 9 - HD1 PHE 10 2.50 7 0.11 0.30 + ++ + + + *
VdW C SER 9 - CD2 PHE 10 3.10 11 0.24 0.44 + +++ ++ + + *++
VdW C SER 9 - HD2 PHE 10 2.50 9 0.14 0.30 + +++ ++ + *+
VdW N PHE 10 - CD1 PHE 10 3.05 9 0.11 0.27 + *+ ++ ++ + +
VdW N PHE 10 - CD2 PHE 10 3.05 11 0.13 0.25 + +++ +* + + +++
VdW N PHE 10 - HD2 PHE 10 2.45 8 0.11 0.22 + *++ + + ++
VdW HD1 PHE 10 - CD2 LEU 36 2.60 11 0.14 0.28 + +++ ++ + + ++*
VdW HD2 PHE 10 - CD2 LEU 36 2.60 9 0.11 0.25 + ++ *+ ++ + +
VdW C PHE 10 - HG13 ILE 11 2.50 16 0.19 0.25 ++ ++ +++++++++ *++
VdW N ILE 11 - CG1 ILE 11 2.85 20 0.22 0.23 +++++++++++++*++++++
VdW N ILE 11 - HG13 ILE 11 2.45 15 0.37 0.47 ++ ++ ++++*++++ ++
VdW N ILE 11 - O ASP 26 2.75 20 0.40 0.45 +++++++++++++*++++++
VdW CG1 VAL 14 - C VAL 14 2.90 19 0.23 0.25 + +*++++++++++++++++
VdW CG1 VAL 25 - C VAL 25 2.90 20 0.27 0.28 ++++++++++++++++++*+
VdW N GLN 27 - O SER 34 2.75 20 0.30 0.39 +++++*++++++++++++++
VdW CG GLN 27 - C GLN 27 2.90 20 0.23 0.24 +++++++++*++++++++++
VdW CG GLN 27 - O GLN 27 2.90 20 0.34 0.38 +++++++++++++++*++++
VdW HG2 GLN 27 - O GLN 27 2.30 20 0.41 0.46 ++++++++++++++++++*+
VdW HG2 GLN 27 - HB3 SER 34 2.00 15 0.27 0.33 +*+++ ++++ ++ +++ +
VdW O GLN 27 - N SER 34 2.75 20 0.36 0.40 +++++*++++++++++++++
VdW O GLN 27 - H SER 34 1.80 12 0.21 0.35 +++ + +++++++*
VdW CG2 ILE 28 - CD1 ILE 28 3.00 20 0.32 0.33 +++++*++++++++++++++
VdW CG1 VAL 29 - N GLY 30 3.05 20 0.27 0.29 +++++++++++++++++*++
VdW O VAL 29 - N GLY 32 2.75 20 0.25 0.26 +++++++++++++++*++++
VdW OG SER 38 - N TYR 39 2.75 12 0.20 0.24 + ++ ++++ + ++ *+
VdW HA TRP 42 - C PRO 43 2.50 20 0.24 0.26 +++++++++*++++++++++
VdW CG TRP 42 - C TRP 42 2.90 20 0.25 0.26 *+++++++++++++++++++
VdW CD1 TRP 42 - C TRP 42 3.10 20 0.32 0.35 +++++++++++++++++++*
VdW O PRO 43 - C ARG 44 2.80 20 0.32 0.36 ++*+++++++++++++++++
VdW O ALA 45 - C ASP 46 2.80 18 0.33 0.46 +++ ++++++++++*++++
VdW O ALA 45 - N ALA 47 2.75 12 0.23 0.33 ++ ++++++*+ + +
VdW HB3 LYS 58 - CD1 TRP 60 2.60 20 0.34 0.38 ++++++*+++++++++++++
VdW CE2 TRP 60 - CD1 ILE 61 3.20 11 0.18 0.22 ++ + + +++ ++ *+
VdW CA ILE 61 - CD1 ILE 61 3.00 17 0.18 0.25 ++++++ +++ +*+ +++++
VdW CG2 ILE 61 - C ILE 61 2.90 16 0.19 0.24 +++++* +++ + + +++++
VdW O GLU 63 - N ILE 67 2.75 18 0.23 0.25 +++++*+++++++ +++++
VdW O GLU 63 - H ILE 67 1.80 6 0.19 0.22 + + * ++ +
VdW O GLU 63 - HG12 ILE 67 2.30 20 0.36 0.44 ++++++++++++*+++++++
VdW CA ILE 67 - CD1 ILE 67 3.00 19 0.22 0.29 ++++++++++++++*+++ +
VdW HA ILE 67 - CD1 ILE 67 2.60 17 0.22 0.25 *+++++ +++ +++ +++++
VdW OD1 ASN 68 - NE2 GLN 72 2.75 12 0.20 0.24 + + *+ + ++ +++ ++
VdW O VAL 69 - HG2 GLN 72 2.30 10 0.21 0.30 + + +* ++++ + +
VdW H GLN 72 - HG2 GLN 72 1.95 20 0.30 0.34 +++++++++++++++++*++
VdW CG2 THR 74 - C THR 74 2.90 20 0.32 0.32 +++++*++++++++++++++
VdW HA PHE 99 - CD PRO 100 2.60 17 0.24 0.27 + ++++++*+++++++ ++
VdW H LEU 109 - CD1 LEU 109 2.55 6 0.09 0.25 + + + + * +
VdW CD2 LEU 109 - C LEU 109 3.10 13 0.19 0.28 +++ + +++ ++*+ + +
Angle PSI SER 9 88.20 179.60 20 10.35 11.09 +++++++*++++++++++++
Angle PHI ILE 11 -146.30 -105.30 8 4.59 7.73 + ++ +++ *+
Angle PSI ILE 11 106.60 165.30 20 16.35 17.95 ++++++*+++++++++++++
Angle PSI ASN 20 151.50 178.20 10 5.09 6.30 + +++++*+ ++
Angle PSI LEU 51 -53.80 -27.70 6 2.63 8.07 ++++ * +
Angle PHI ASP 53 -74.90 -54.90 7 2.79 7.28 + +++ ++ *
Angle PHI HIS 59 -83.50 -28.90 7 5.28 9.49 + * ++++ +
Angle PHI ARG 66 -77.10 -57.10 20 11.20 12.30 ++++++++++++++*+++++
641 violated distance restraints.
50 violated van der Waals restraints.
8 violated angle restraints.
RMSDs for residues 8..80:
Average backbone RMSD to mean : 0.14 +/- 0.04 A (0.08..0.25 A; 20 structures)
Average heavy atom RMSD to mean : 0.56 +/- 0.05 A (0.49..0.65 A; 20 structures)