Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 110.92 895 0.0446 2.16 42 47.0 0.47 13 3.1166 20.61 2 111.65 878 0.0445 2.25 42 47.4 0.50 17 3.7265 21.25 3 111.79 852 0.0448 2.22 43 48.2 0.43 10 2.9625 18.88 4 112.16 861 0.0446 2.31 52 48.5 0.50 16 3.3161 21.00 5 112.50 861 0.0443 2.20 53 50.1 0.56 14 3.6060 26.33 6 113.46 914 0.0448 2.35 51 48.0 0.53 13 3.5461 24.28 7 113.86 900 0.0450 2.22 44 48.5 0.56 14 3.6058 25.30 8 113.91 882 0.0450 2.23 45 50.8 0.57 10 3.1450 23.97 9 114.11 933 0.0450 2.23 50 49.3 0.53 14 3.3499 20.65 10 114.15 904 0.0450 2.19 50 48.9 0.58 10 3.1464 22.98 11 114.99 885 0.0449 2.21 49 49.7 0.52 17 3.6056 20.39 12 115.04 893 0.0450 2.23 54 48.9 0.51 16 3.6231 22.88 13 115.06 894 0.0451 2.21 50 48.1 0.55 19 3.8393 24.48 14 115.07 865 0.0452 2.26 40 48.8 0.56 18 4.0374 24.94 15 115.44 855 0.0454 2.16 49 46.5 0.53 15 3.5890 23.37 16 115.88 908 0.0452 2.25 48 52.4 0.50 13 3.4769 24.05 17 115.91 889 0.0452 2.27 49 51.5 0.49 13 3.3745 23.20 18 115.99 905 0.0451 2.19 51 50.3 0.57 13 3.5907 20.72 19 116.06 890 0.0453 2.17 59 50.3 0.56 14 3.4499 24.36 20 116.27 903 0.0453 2.26 46 51.4 0.55 16 3.4314 20.72 Ave 114.21 888 0.0450 2.23 48 49.2 0.53 14 3.4769 22.72 +/- 1.61 21 0.0003 0.05 5 1.5 0.04 2 0.2528 1.99 Min 110.92 852 0.0443 2.16 40 46.5 0.43 10 2.9625 18.88 Max 116.27 933 0.0454 2.35 59 52.4 0.58 19 4.0374 26.33 Cut 0.02 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper HA MET 1 - QE MET 1 3.43 20 0.58 0.95 ++++++++*+++++++++++ peak 7 HA MET 1 - HB2 LYS 24 HA MET 1 - HB3 LYS 24 HA MET 1 - HB2 ARG 46 HA MET 1 - HB2 LYS 47 HA MET 1 - HB2 LYS 73 HA MET 1 - HB3 MET 74 Upper HA MET 1 - HB3 LEU 2 5.56 18 0.07 0.13 ++++ ++*+++++ ++++++ peak 8009 HA MET 1 - QB ALA 25 HA MET 1 - HG2 LYS 94 Upper HA MET 1 - HG LEU 2 5.34 12 0.19 0.51 + + +++++* ++++ peak 8008 HA MET 1 - HB ILE 7 HA MET 1 - HG3 LYS 13 HA MET 1 - HB2 LEU 14 HA MET 1 - HG3 LYS 24 HA MET 1 - HG2 LYS 47 HA MET 1 - HG LEU 57 HA MET 1 - HG2 LYS 73 Upper HA MET 1 - H GLU 16 3.61 20 0.17 0.26 ++++++++++++++++++*+ peak 6226 HA LYS 13 - H GLU 16 H GLU 16 - HA GLU 23 H GLU 16 - HA LYS 47 H ARG 46 - HA LYS 47 H GLU 16 - HB2 SER 59 H GLU 16 - HA GLN 72 Upper HA MET 1 - HB3 ASN 51 3.98 16 0.23 0.75 ++++++++++++ +++* peak 9348 HB3 ASN 51 - HA LYS 73 H LEU 57 - QG2 THR 80 H LEU 57 - QG1 VAL 83 Upper HA MET 1 - HB3 ASN 51 3.57 18 0.25 0.49 +*+++++++++++ +++++ peak 9816 HB3 ASN 51 - HA LYS 73 HB2 LYS 39 - QG2 VAL 83 HB2 LEU 42 - QG2 VAL 83 QG2 VAL 83 - HB2 GLU 88 QG2 VAL 83 - HB2 LYS 90 QG2 VAL 83 - HB ILE 93 QG2 VAL 83 - HB2 GLU 104 Upper HB2 MET 1 - QE MET 1 2.40 11 0.10 0.34 *+++ + + +++ + + peak 38 QE MET 1 - HB2 GLU 17 Upper HB2 MET 1 - QE MET 1 2.40 11 0.10 0.34 *+++ + + +++ + + peak 14 HB2 MET 1 - HB2 LYS 47 Upper HB2 MET 1 - QD2 LEU 3 3.73 10 0.21 0.65 +* + +++ + + ++ peak 10168 QD1 LEU 2 - HA GLU 35 QD1 LEU 2 - HA GLU 43 HA GLU 35 - QD1 LEU 38 QD1 LEU 38 - HA GLU 43 QD1 LEU 38 - HA ARG 91 QG2 ILE 76 - HA ARG 91 Upper HB2 MET 1 - H GLU 17 3.06 6 0.14 0.51 + + *++ + peak 6255 H GLU 17 - HB2 GLU 17 H GLU 17 - HB3 ARG 19 H GLU 17 - HB3 LYS 20 Upper HB2 MET 1 - H MET 21 3.42 7 0.05 0.37 + ++ + *++ peak 6325 HB2 GLU 17 - H MET 21 HB3 ARG 19 - H MET 21 HB3 LYS 20 - H MET 21 H MET 21 - HB VAL 32 H MET 21 - HG3 GLU 88 H MET 21 - HB2 LYS 94 Upper HB2 MET 1 - H GLN 72 4.14 20 0.54 0.73 +++++++*++++++++++++ peak 9555 HB2 GLU 17 - H GLN 72 HB3 LYS 47 - H GLN 72 H GLN 72 - HB2 LYS 73 H GLN 72 - HB3 LYS 73 Upper HB3 MET 1 - QE MET 1 2.40 8 0.05 0.19 + +* + ++ ++ peak 21 HB3 MET 1 - HB2 LYS 47 HB3 MET 1 - HB3 MET 74 Upper HB3 MET 1 - QE MET 1 2.40 8 0.05 0.19 + +* + ++ ++ peak 39 QE MET 1 - HB3 GLU 17 Upper HB3 MET 1 - HB2 LEU 2 5.71 13 0.15 0.73 ++ + +++++* + +++ peak 12277 HB2 LEU 2 - HB3 GLU 17 HB2 LEU 2 - HB2 GLU 35 HB2 LEU 2 - HB2 GLN 50 HB2 LEU 2 - HB3 LYS 94 Upper HB3 MET 1 - QD1 LEU 2 3.85 12 0.12 0.61 + * + +++ ++++++ peak 8053 QD1 LEU 2 - HB3 GLU 17 QD1 LEU 2 - HB2 GLU 35 QD1 LEU 2 - HB2 GLN 50 QD1 LEU 2 - QE MET 74 QD1 LEU 2 - HB3 LYS 94 Upper HB3 MET 1 - HG LEU 3 2.96 19 0.46 0.99 ++*++++++++++++++++ peak 1999 QE MET 1 - HG LEU 3 HA GLU 44 - HB2 ARG 46 HA GLU 44 - HB3 ARG 46 HA GLU 44 - HB2 LYS 47 HA GLU 44 - HB3 MET 74 Upper HB3 MET 1 - QD2 LEU 3 3.95 11 0.08 0.25 *+++ +++ ++ ++ peak 10353 QE MET 1 - QD2 LEU 3 HG3 MET 1 - HA GLU 35 HG3 MET 1 - HA GLU 63 HG3 MET 1 - HA3 GLY 101 Upper HB3 MET 1 - QD2 LEU 3 3.75 11 0.07 0.21 ++++ +++ *+ ++ peak 10963 QE MET 1 - QD2 LEU 3 H ASP 87 - H LYS 90 Upper HB3 MET 1 - H GLU 17 3.11 14 0.33 0.49 +++ + ++++*+ ++++ peak 6256 H GLU 17 - HB3 GLU 17 H GLU 17 - HB2 GLU 35 H GLU 17 - QE MET 74 Upper HB3 MET 1 - H ALA 18 3.60 14 0.14 0.28 +++ * ++++++ ++++ peak 6269 HB3 GLU 17 - H ALA 18 Upper HB3 MET 1 - HA ASP 36 4.87 15 0.11 0.35 +++++* + ++ ++++++ peak 10536 HB2 GLU 35 - HA ASP 36 HA ASP 36 - QE MET 74 Upper HB3 MET 1 - H MET 74 3.55 13 0.17 0.44 + ++ +++++ *+ +++ peak 7230 HB3 GLU 17 - H MET 74 HB2 GLU 35 - H MET 74 HB2 GLU 44 - H MET 74 HB3 GLU 44 - H MET 74 H MET 74 - QE MET 74 Upper HB3 MET 1 - HB3 MET 74 2.98 8 0.09 0.35 + +* ++ + + + peak 3348 HB3 GLU 17 - HB3 MET 74 HB2 GLU 35 - HB3 MET 74 HB2 GLU 44 - HB3 MET 74 HB3 GLU 44 - HB3 MET 74 HB3 MET 74 - QE MET 74 Upper HB3 MET 1 - H GLU 75 4.69 18 0.40 0.72 ++ ++++++*++ +++++++ peak 7239 HB3 GLU 17 - H GLU 75 HB2 GLU 35 - H GLU 75 HB2 GLU 44 - H GLU 75 HB3 GLU 44 - H GLU 75 QE MET 74 - H GLU 75 Upper HB3 MET 1 - HA2 GLY 100 4.37 16 0.10 0.21 ++++++++++*++ ++ + peak 6344 HB3 MET 1 - HA2 GLY 101 HB3 GLU 17 - HA2 GLY 100 HB2 GLU 44 - HA2 GLY 100 HB3 GLU 44 - HA2 GLY 100 HB2 GLU 62 - HA2 GLY 100 QE MET 74 - HA2 GLY 100 QE MET 74 - HA2 GLY 101 HB3 LYS 94 - HA2 GLY 100 HB3 LYS 94 - HA2 GLY 101 HA GLU 16 - H ALA 22 HA GLU 17 - H ALA 22 HA LYS 20 - H ALA 22 H ALA 22 - HB2 SER 49 Upper HG2 MET 1 - QE MET 1 3.14 15 0.18 0.25 ++ ++*+++++++ + ++ peak 28 HG2 MET 1 - HB2 LYS 47 Upper HG2 MET 1 - QD1 LEU 2 4.18 19 0.49 1.01 ++++++++++ ++++++++* peak 8054 QD1 LEU 2 - HG2 GLU 35 QD1 LEU 2 - HG3 GLU 35 QD1 LEU 2 - HG2 GLU 43 QD1 LEU 2 - HB2 GLU 63 QD1 LEU 2 - HG3 PRO 86 Upper HG2 MET 1 - QD2 LEU 2 4.21 10 0.15 0.63 ++ ++ + +++ * + peak 8058 QD2 LEU 2 - HG2 GLU 35 QD2 LEU 2 - HG3 GLU 35 QD2 LEU 2 - HG2 GLU 43 QD2 LEU 2 - HB3 GLN 50 QD2 LEU 2 - HB2 GLU 63 QD2 LEU 2 - HG3 PRO 86 Upper HG2 MET 1 - QD2 LEU 3 3.11 10 0.08 0.27 ++ + ++ + +++ * peak 1585 QD2 LEU 3 - HG2 GLU 35 QD2 LEU 3 - HG3 GLU 35 QD2 LEU 3 - HG3 PRO 86 QD2 LEU 3 - HB2 GLU 95 QD2 LEU 3 - HG2 GLU 99 HA GLU 37 - HB2 LYS 40 HA GLU 37 - HB ILE 76 Upper HG2 MET 1 - QD2 LEU 3 4.05 10 0.08 0.44 + + + +* ++ + ++ peak 11067 QD2 LEU 3 - HG2 GLU 35 QD2 LEU 3 - HG3 GLU 35 QD2 LEU 3 - HG3 PRO 86 QD2 LEU 3 - HB2 GLU 95 QD2 LEU 3 - HG2 GLU 99 HG12 ILE 8 - HG2 GLU 37 HG2 GLU 37 - HB2 LEU 70 HG2 GLU 37 - HG3 LYS 94 HG2 GLU 62 - HG3 LYS 94 HG3 GLU 62 - HG3 LYS 94 Upper HG2 MET 1 - H LEU 42 4.78 11 0.07 0.35 +++ ++ ++++ * + peak 10591 HG2 GLU 35 - H LEU 42 HG3 GLU 35 - H LEU 42 H LEU 42 - HG2 GLU 43 H LEU 42 - HB2 GLU 63 Upper HG2 MET 1 - H MET 74 4.23 7 0.01 0.05 + +*+ + + + peak 10864 HG2 GLU 35 - H MET 74 HG3 GLU 35 - H MET 74 HG2 GLU 43 - H MET 74 HB3 GLN 50 - H MET 74 HB2 GLU 63 - H MET 74 H MET 74 - HB3 GLU 75 H MET 74 - HG2 GLU 75 H MET 74 - HG3 GLU 75 H MET 74 - HB2 GLU 95 Upper HG3 MET 1 - QD1 LEU 3 3.27 12 0.16 0.44 + +++ +++ +++ *+ peak 9379 HB2 LEU 27 - QG2 VAL 58 HD2 LYS 40 - QG2 VAL 58 HD3 LYS 40 - QG2 VAL 58 HG13 ILE 52 - QG2 VAL 58 QG2 VAL 58 - HG LEU 64 QG2 VAL 58 - HD2 LYS 82 Upper HG3 MET 1 - QD1 LEU 3 3.93 12 0.10 0.27 ++ + +* ++++ ++ + peak 9558 QD1 LEU 3 - HG3 GLU 17 QD1 LEU 3 - HG3 GLU 48 QD1 LEU 3 - HG3 GLN 50 QD1 LEU 3 - HG2 GLN 72 QD1 LEU 3 - HG3 GLU 99 QG1 VAL 5 - H GLN 72 QD2 LEU 14 - H GLN 72 QD2 LEU 27 - H GLN 72 QG1 VAL 58 - H GLN 72 H GLN 72 - QG2 VAL 78 Upper HG3 MET 1 - H ALA 18 4.28 9 0.06 0.40 *+ + + + + +++ peak 6271 HB2 ASP 11 - H ALA 18 HG3 GLU 17 - H ALA 18 H ALA 18 - HG3 GLU 48 H ALA 18 - HG3 GLN 50 H ALA 18 - HG2 GLN 72 H ALA 18 - HG3 GLU 99 Upper HG3 MET 1 - H ASN 51 4.48 6 0.06 0.29 + + + + + * peak 6832 HB2 ASP 11 - H ASN 51 HG3 GLU 17 - H ASN 51 HG3 GLU 48 - H ASN 51 HG3 GLN 50 - H ASN 51 H ASN 51 - HG2 GLN 72 H ASN 51 - HG3 GLU 99 Upper HG3 MET 1 - HD22 ASN 51 4.15 13 0.12 0.52 +++++ + ++ + *+ ++ peak 10916 HB3 MET 21 - HD22 ASN 51 HG3 MET 21 - HD22 ASN 51 HA ALA 18 - HB THR 80 Upper HG3 MET 1 - HA ILE 52 3.81 11 0.18 0.48 + + ++++ * ++ ++ peak 9479 HG3 MET 1 - HA THR 80 HE2 LYS 39 - QD2 LEU 64 HE3 LYS 39 - QD2 LEU 64 QD2 LEU 64 - HE2 LYS 66 Upper HG3 MET 1 - HA GLN 72 3.40 12 0.17 0.41 ++ *+ + ++ +++++ peak 3186 HG3 GLU 17 - HA GLN 72 HA GLN 72 - HG2 GLN 72 Upper QE MET 1 - H MET 21 3.15 8 0.05 0.22 + + ++ ++ * + peak 10838 QE MET 1 - HD22 ASN 51 QE MET 1 - H SER 85 HG13 ILE 15 - HA ALA 71 QD1 ILE 15 - HA ALA 71 QD2 LEU 27 - HA ALA 71 QG1 VAL 54 - HA ALA 71 HA ALA 71 - QG1 VAL 78 HA ALA 71 - QG2 ILE 93 HA ALA 71 - HG13 ILE 93 Upper QE MET 1 - HD2 LYS 53 4.61 12 0.11 0.31 ++ + +++ + +*+++ peak 10509 HB2 GLU 37 - HD2 LYS 53 HB2 ARG 46 - HD2 LYS 53 H LEU 3 - HB2 ARG 30 H SER 9 - HB2 ARG 30 H ASN 26 - HB2 ARG 30 HB2 ARG 30 - H TYR 41 HB2 ARG 30 - H LYS 73 Upper H LEU 2 - HA ILE 52 3.63 6 0.03 0.15 + +* + + + peak 11126 H LEU 2 - HA THR 80 H THR 31 - HA ILE 52 HA ILE 52 - H VAL 54 HA ILE 52 - H ARG 79 H ARG 79 - HA THR 80 Upper H LEU 2 - QG2 THR 80 4.55 18 0.24 0.58 ++++ ++++++++*++ +++ peak 9707 H THR 31 - QG2 THR 80 H VAL 54 - QG2 THR 80 H ARG 79 - QG2 THR 80 Upper HA LEU 2 - QD2 LEU 2 3.14 20 0.35 0.53 +++++++*++++++++++++ peak 77 Upper HA LEU 2 - QD2 LEU 2 3.28 20 0.21 0.39 +++++++*++++++++++++ peak 49 HA LEU 2 - QG2 ILE 7 HA LEU 2 - QG2 ILE 15 HA LEU 2 - QD2 LEU 57 HA LEU 2 - QD1 LEU 70 HA LEU 2 - QD2 LEU 70 HA LEU 2 - QD1 ILE 76 Upper HA LEU 2 - HB2 LEU 3 5.49 6 0.03 0.13 + + + + *+ peak 8081 HB2 LEU 3 - HB THR 84 Upper HB2 LEU 2 - HG LEU 2 2.99 8 0.01 0.03 + + ++ ++ +* peak 70 Upper HB2 LEU 2 - HA LEU 3 5.36 13 0.20 0.36 ++ + *++++ +++++ peak 8106 HA LEU 3 - HB ILE 15 HA LEU 3 - HD2 LYS 33 HA LEU 3 - HD3 LYS 33 HA LEU 3 - HB3 LEU 70 Upper HB2 LEU 2 - H TYR 4 3.75 9 0.03 0.13 *+ + + ++ + ++ peak 7568 H TYR 4 - HG12 ILE 15 H TYR 4 - HB3 LYS 40 H TYR 4 - HB3 LYS 53 H TYR 4 - HD3 LYS 90 H TYR 4 - HB3 ARG 91 HA LEU 70 - H SER 97 HA GLU 95 - H SER 97 Upper HB2 LEU 2 - HD1 TYR 4 3.67 14 0.30 0.55 ++ + ++++++ ++*++ peak 9342 HB2 LEU 2 - HE1 TYR 4 HB2 LEU 2 - HE2 TYR 4 HB2 LEU 2 - HD2 TYR 4 HE1 TYR 41 - QD1 LEU 57 HE2 TYR 41 - QD1 LEU 57 QD1 LEU 57 - HD1 TRP 92 Upper HB2 LEU 2 - HE1 TYR 4 4.24 8 0.07 0.27 * + ++ +++ + peak 10153 HB2 LEU 2 - HE2 TYR 4 HE1 TYR 4 - HB3 LYS 53 HE2 TYR 4 - HB3 LYS 53 H SER 9 - HB VAL 32 H LYS 20 - HB VAL 32 HB VAL 32 - H LYS 66 Upper HB2 LEU 2 - QD1 LEU 6 3.42 11 0.08 0.29 * + ++ ++ +++++ peak 8461 HB2 LEU 2 - QG2 ILE 8 HB2 LEU 2 - HG13 ILE 15 HB2 LEU 2 - QD1 ILE 15 HB2 LEU 2 - QD1 LEU 27 HB2 LEU 2 - QG2 ILE 52 HB2 LEU 2 - QG1 VAL 54 HB2 SER 9 - H ILE 15 HB3 ASP 11 - H ILE 15 H ILE 15 - HB2 PHE 45 Upper HB2 LEU 2 - QD1 LEU 6 3.44 20 0.52 1.06 ++++++++*+++++++++++ peak 9898 HB2 LEU 2 - QG2 ILE 8 HB2 LEU 2 - HG13 ILE 15 HB2 LEU 2 - QD1 ILE 15 HB2 LEU 2 - QD1 LEU 27 HB2 LEU 2 - QG2 ILE 52 HB2 LEU 2 - QG1 VAL 54 HA LEU 3 - H ASP 87 HA ILE 7 - H ASP 87 HA SER 85 - H ASP 87 Upper HB2 LEU 2 - QD1 LEU 14 3.46 20 0.47 1.20 +++++++*++++++++++++ peak 10404 HD2 LYS 13 - QD1 LEU 14 HD3 LYS 13 - QD1 LEU 14 QD1 LEU 14 - HB3 LEU 70 QD1 LEU 14 - HG LEU 70 QD1 LEU 14 - HG2 PRO 86 Upper HB2 LEU 2 - H GLU 16 3.60 17 0.40 0.57 ++++ +++++ ++*+++++ peak 6233 HD2 LYS 12 - H GLU 16 HD3 LYS 12 - H GLU 16 HD2 LYS 13 - H GLU 16 HD3 LYS 13 - H GLU 16 HG12 ILE 15 - H GLU 16 HG12 ILE 15 - H ARG 46 H GLU 16 - HG3 LYS 20 H GLU 16 - HD2 LYS 20 H GLU 16 - HD3 LYS 20 H GLU 16 - HG LEU 70 H GLU 16 - HD3 LYS 90 Upper HB2 LEU 2 - H ALA 18 3.40 14 0.50 0.92 ++ + ++++++ ++*++ peak 12271 HD2 LYS 12 - H ALA 18 HD3 LYS 12 - H ALA 18 HD2 LYS 13 - H ALA 18 HD3 LYS 13 - H ALA 18 HB ILE 15 - H ALA 18 HG12 ILE 15 - H ALA 18 H ALA 18 - HB3 LEU 70 H ALA 18 - HD3 LYS 90 HB2 LEU 2 - HA ILE 52 HB2 LEU 2 - HA THR 80 Upper HB2 LEU 2 - HB THR 31 3.16 15 0.14 0.45 +++*++ ++++ ++++ + peak 733 HB ILE 15 - HB THR 31 HB THR 31 - HD2 LYS 33 HB THR 31 - HD3 LYS 33 HB3 LEU 14 - HA GLU 17 HA GLU 17 - HB2 ARG 19 HA GLU 16 - HB2 LYS 20 HA GLU 17 - HB2 LYS 20 HA GLU 17 - HG LEU 42 Upper HB2 LEU 2 - H LEU 42 4.16 20 0.54 0.75 ++++*+++++++++++++++ peak 10075 HG12 ILE 15 - H LEU 42 HB3 LYS 40 - H LEU 42 H LEU 42 - HG LEU 70 H LEU 42 - HD3 LYS 90 QD1 LEU 55 - HB3 SER 97 HG2 ARG 81 - HB3 SER 97 Upper HB2 LEU 2 - H GLU 43 3.85 11 0.07 0.21 ++ + + +++ +*+ + peak 9779 HG12 ILE 15 - H GLU 43 HB3 LYS 40 - H GLU 43 H GLU 43 - HD2 LYS 47 H GLU 43 - HD3 LYS 47 H GLU 43 - HD3 LYS 66 H GLU 43 - HG LEU 70 H GLU 43 - HD3 LYS 90 H GLU 43 - HB3 ARG 91 H MET 21 - QG2 VAL 83 HD22 ASN 51 - QG2 VAL 83 QG2 VAL 83 - H SER 85 Upper HB3 LEU 2 - QD2 LEU 2 3.17 7 0.01 0.02 + ++ +* ++ peak 79 Upper HB3 LEU 2 - H ALA 18 3.20 9 0.05 0.18 +++ +++*+ + peak 9143 HG LEU 14 - H ALA 18 H ALA 18 - QB ALA 25 H ALA 18 - HB3 LEU 27 H ALA 18 - HG2 LYS 39 H ALA 18 - QB ALA 89 H ALA 18 - HG2 LYS 94 HD1 TYR 4 - QG2 ILE 52 HE1 TYR 4 - QG2 ILE 52 HE2 TYR 4 - QG2 ILE 52 HD2 TYR 4 - QG2 ILE 52 Upper HB3 LEU 2 - HG2 GLU 35 4.02 8 0.06 0.26 +++ ++ * + + peak 9114 HB3 LEU 2 - HG3 GLU 35 HB3 LEU 2 - HG2 GLU 43 HG2 GLU 35 - HG2 LYS 39 HG3 GLU 35 - HG2 LYS 39 HG2 LYS 39 - HG2 GLU 43 HG2 GLU 43 - QB ALA 67 HG2 GLU 35 - HG2 LYS 94 HG3 GLU 35 - HG2 LYS 94 HG2 GLU 43 - HG2 LYS 94 HG3 GLU 16 - HB3 ASN 51 HB2 GLU 48 - HB3 ASN 51 Upper HB3 LEU 2 - H LYS 66 3.97 20 0.50 0.58 +++*++++++++++++++++ peak 9505 HG LEU 14 - H LYS 66 QB ALA 25 - H LYS 66 HB3 LEU 27 - H LYS 66 H LYS 66 - QB ALA 67 H LYS 66 - HG3 LYS 68 Upper HB3 LEU 2 - QG1 VAL 83 3.30 11 0.08 0.26 +++ + +++ * +++ peak 9810 HG LEU 14 - QG1 VAL 83 QB ALA 67 - QG1 VAL 83 HB2 LYS 82 - QG1 VAL 83 QG1 VAL 83 - QB ALA 89 QG1 VAL 83 - HG2 LYS 94 Upper HB3 LEU 2 - H ARG 91 4.01 20 0.14 0.19 ++++++++++++++++++*+ peak 12307 HG LEU 14 - H ARG 91 QB ALA 25 - H ARG 91 HB3 LEU 27 - H ARG 91 HG3 LYS 68 - H ARG 91 HB2 LYS 82 - H ARG 91 QB ALA 89 - H ARG 91 H ARG 91 - HG2 LYS 94 QD1 LEU 3 - H LYS 90 QD1 LEU 3 - H SER 102 Upper HB3 LEU 2 - H ARG 91 3.49 11 0.07 0.22 ++ + + +*++ + ++ peak 10655 HG LEU 14 - H ARG 91 QB ALA 25 - H ARG 91 HB3 LEU 27 - H ARG 91 HG3 LYS 68 - H ARG 91 HB2 LYS 82 - H ARG 91 QB ALA 89 - H ARG 91 H ARG 91 - HG2 LYS 94 HB3 LEU 6 - QG1 VAL 54 HB ILE 52 - QG1 VAL 54 QG1 VAL 54 - HD2 LYS 68 QG1 VAL 54 - HD3 LYS 68 QG1 VAL 54 - HB ILE 76 QG1 VAL 54 - HB3 ARG 79 Upper HG LEU 2 - H LEU 3 3.81 18 0.37 0.96 ++++*+++++++++++ ++ peak 6021 H LEU 3 - HG LEU 6 H LEU 3 - HB ILE 7 H LEU 3 - HB2 LEU 14 H LEU 3 - HG3 LYS 24 H LEU 3 - HG3 ARG 30 H LEU 3 - HG LEU 57 H LEU 3 - HB3 LEU 103 Upper HG LEU 2 - HB THR 31 3.73 7 0.14 0.57 + + +* + + + peak 8032 HG LEU 6 - HB THR 31 HB ILE 7 - HB THR 31 HB2 LEU 14 - HB THR 31 HB THR 31 - HG3 LYS 33 QE MET 1 - HA ASN 51 Upper HG LEU 2 - QG2 VAL 54 4.22 8 0.05 0.27 + ++ * + + + + peak 8707 HG LEU 6 - QG2 VAL 54 HB ILE 7 - QG2 VAL 54 HB2 LEU 14 - QG2 VAL 54 HG3 ARG 30 - QG2 VAL 54 HG2 LYS 33 - QG2 VAL 54 QG2 VAL 54 - HG12 ILE 56 QG2 VAL 54 - HG2 ARG 79 QG2 VAL 54 - HG3 ARG 79 HD2 ARG 30 - HZ PHE 45 Upper HG LEU 2 - QD1 LEU 55 3.41 6 0.04 0.21 + ++ *+ + peak 9251 HG LEU 6 - QD1 LEU 55 QD1 LEU 55 - HG12 ILE 56 QD1 LEU 55 - HG2 ARG 79 QD1 LEU 55 - HG3 ARG 79 Upper HG LEU 2 - H LEU 57 3.49 20 0.75 0.94 ++++++++++++++++++*+ peak 6939 H LEU 57 - HG LEU 57 H LEU 57 - HG2 LYS 66 H LEU 57 - HG3 LYS 66 Upper HG LEU 2 - HG LEU 70 3.20 17 0.23 0.52 +++ +++*+++ +++ ++++ peak 10669 HG3 LYS 13 - HG LEU 70 HG LEU 57 - HG LEU 70 HB3 LEU 64 - HG2 PRO 86 HG2 LYS 66 - HG LEU 70 HG2 LYS 66 - HG2 PRO 86 HG3 LYS 66 - HG LEU 70 HG3 LYS 66 - HG2 PRO 86 HG LEU 70 - HG2 LYS 73 HD21 ASN 10 - HA LEU 55 HA LEU 55 - HE1 PHE 96 HA LEU 55 - HE2 PHE 96 Upper HG LEU 2 - HG LEU 70 3.29 16 0.11 0.47 +++ +++++++ + + ++*+ peak 12223 HG3 LYS 13 - HG LEU 70 HG LEU 57 - HG LEU 70 HB3 LEU 64 - HG2 PRO 86 HG2 LYS 66 - HG LEU 70 HG2 LYS 66 - HG2 PRO 86 HG3 LYS 66 - HG LEU 70 HG3 LYS 66 - HG2 PRO 86 HG LEU 70 - HG2 LYS 73 HA ASN 60 - HB3 GLU 88 HA VAL 83 - HB3 GLU 88 HB3 GLU 88 - HA TRP 92 Upper HG LEU 2 - HA ARG 81 4.65 12 0.09 0.33 +++*+ ++ +++++ peak 11000 HB ILE 7 - HA ARG 81 HB2 LEU 14 - HA ARG 81 HG3 LYS 33 - HA ARG 81 HG12 ILE 56 - HA ARG 81 HG LEU 57 - HA ARG 81 HG2 ARG 79 - HA ARG 81 HG3 ARG 79 - HA ARG 81 HA ARG 81 - HB3 LEU 103 HB2 LEU 3 - QG2 ILE 93 HD3 LYS 82 - QG2 ILE 93 HG3 LYS 90 - QG2 ILE 93 Upper HG LEU 2 - H LEU 103 3.62 6 0.03 0.16 * + +++ + peak 7650 H LEU 103 - HB3 LEU 103 Upper QD1 LEU 2 - HD1 TYR 4 3.32 9 0.21 0.77 + +*+ + + + + + peak 6247 QD1 LEU 2 - HE1 TYR 4 QD1 LEU 2 - HE2 TYR 4 QD1 LEU 2 - HD2 TYR 4 HA ILE 15 - H GLU 17 Upper QD1 LEU 2 - HG3 GLU 16 5.52 20 0.43 0.69 +++++++++++*++++++++ peak 10426 QD1 LEU 2 - HG2 GLU 63 HG13 ILE 8 - HG3 GLU 16 HG13 ILE 8 - HG2 GLU 63 HG3 GLU 16 - QD1 LEU 38 HG3 GLU 16 - QD2 LEU 64 HG2 GLU 63 - QD2 LEU 64 HG3 GLU 16 - QG2 ILE 76 HG2 GLU 63 - QG2 ILE 76 Upper QD1 LEU 2 - H TYR 41 3.86 13 0.13 0.37 + ++ ++*++ +++ ++ peak 9192 HG13 ILE 7 - H TYR 41 HG13 ILE 8 - H TYR 41 QD1 LEU 38 - H TYR 41 H TYR 41 - QD2 LEU 64 H TYR 41 - QG2 ILE 76 QD2 LEU 3 - HD2 LYS 53 Upper QD1 LEU 2 - HA LEU 42 3.79 9 0.03 0.15 ++ ++* + ++ + peak 6208 HG13 ILE 7 - HA LEU 42 HG13 ILE 8 - HA LEU 42 QD1 LEU 38 - HA LEU 42 HA LEU 42 - QG2 ILE 76 HA MET 1 - H ILE 15 HA LYS 13 - H ILE 15 H ILE 15 - HA GLN 72 Upper QD1 LEU 2 - HB2 LEU 42 4.14 17 0.14 0.42 + ++++ +*+ +++++++++ peak 10851 HG13 ILE 8 - HB2 LEU 42 QD1 LEU 38 - HB2 LEU 42 HB2 LEU 42 - QD2 LEU 64 HB2 LEU 42 - QG2 ILE 76 QG2 ILE 8 - HB2 LYS 73 QG2 ILE 8 - HB3 LYS 73 QD1 LEU 27 - HB2 LYS 73 QD1 LEU 27 - HB3 LYS 73 QG2 ILE 52 - HB2 LYS 73 QG2 ILE 52 - HB3 LYS 73 Upper QD1 LEU 2 - HB VAL 78 4.51 13 0.08 0.25 ++ +++ * +++++++ peak 14641 HG13 ILE 7 - HB VAL 78 HG13 ILE 8 - HB VAL 78 QD2 LEU 64 - HB VAL 78 QG2 ILE 76 - HB VAL 78 HB3 GLU 23 - HE3 TRP 92 HB2 GLN 72 - HE3 TRP 92 HE3 TRP 92 - HB3 GLU 95 Upper QD2 LEU 2 - H LEU 3 4.07 15 0.22 0.60 + *+++++++ ++++ ++ peak 6022 H LEU 3 - QG2 ILE 7 H LEU 3 - QD1 ILE 76 Upper QD2 LEU 2 - H LEU 3 3.90 15 0.35 0.78 + *+++++++ ++++ ++ peak 83 QD2 LEU 2 - H ASN 26 QD2 LEU 2 - H LYS 73 Upper QD2 LEU 2 - HG2 LYS 13 3.98 20 2.23 2.35 +++++*++++++++++++++ peak 9762 QG2 ILE 7 - HG2 LYS 13 HG2 LYS 13 - QG2 ILE 15 HG2 LYS 13 - QD2 LEU 57 HG2 LYS 13 - QD1 LEU 70 HG2 LYS 13 - QD2 LEU 70 HG2 LYS 13 - QD1 ILE 76 QD1 ILE 15 - HG3 LYS 82 QD1 LEU 27 - HG3 LYS 82 QD2 LEU 42 - HG3 LYS 82 QG2 ILE 52 - HG3 LYS 82 QG1 VAL 54 - HG3 LYS 82 Upper QD2 LEU 2 - HG3 LYS 13 3.87 10 0.19 0.69 + +* ++ ++ +++ peak 10998 QD2 LEU 2 - HG2 LYS 73 QG2 ILE 7 - HG3 LYS 13 HG3 LYS 13 - QG2 ILE 15 QG2 ILE 15 - HG3 LYS 33 HG3 LYS 13 - QD2 LEU 57 QD2 LEU 57 - HG2 LYS 73 HG3 LYS 13 - QD1 LEU 70 QD1 LEU 70 - HG2 LYS 73 HG3 LYS 13 - QD2 LEU 70 QD2 LEU 70 - HG2 LYS 73 HG3 LYS 13 - QD1 ILE 76 HG2 LYS 47 - QD1 ILE 76 HG2 LYS 73 - QD1 ILE 76 HA ALA 22 - HA ILE 93 HA ALA 67 - HA ILE 93 HA ALA 71 - HA ILE 93 Upper QD2 LEU 2 - QD1 ILE 15 2.40 20 0.23 0.27 ++++++++++++++++*+++ peak 680 QG2 ILE 7 - QD1 ILE 15 QG2 ILE 15 - QD1 ILE 15 QD1 ILE 15 - QD1 LEU 70 QD1 ILE 15 - QD2 LEU 70 Upper QD2 LEU 2 - HB3 ARG 19 4.16 14 0.09 0.25 ++++ ++*+++ + ++ + peak 10490 QG2 ILE 7 - HB3 ARG 19 QG2 ILE 8 - HB3 ARG 19 QG2 ILE 15 - HB3 ARG 19 HB3 ARG 19 - QD2 LEU 57 HB3 ARG 19 - QD2 LEU 70 HB3 ARG 19 - QD1 ILE 76 H VAL 5 - HB3 GLU 28 HB3 GLU 28 - H LEU 57 Upper QD2 LEU 2 - HB3 ARG 19 3.83 16 0.14 0.35 ++++ ++ +++++ +*+++ peak 9545 QG2 ILE 7 - HB3 ARG 19 QG2 ILE 8 - HB3 ARG 19 QG2 ILE 15 - HB3 ARG 19 HB3 ARG 19 - QD2 LEU 57 HB3 ARG 19 - QD2 LEU 70 HB3 ARG 19 - QD1 ILE 76 QD1 LEU 14 - HG LEU 70 QD1 LEU 14 - HG2 PRO 86 QD1 LEU 42 - HG LEU 70 QG2 VAL 58 - HG LEU 70 QG2 VAL 58 - HG2 PRO 86 Upper QD2 LEU 2 - HB3 ARG 30 3.22 6 0.02 0.10 + + +* + + peak 12205 QG2 ILE 7 - HB3 ARG 30 QG2 ILE 8 - HB3 ARG 30 HB3 ARG 30 - QD2 LEU 57 HB3 ARG 30 - QD1 LEU 70 HB3 ARG 30 - QD2 LEU 70 HB3 ARG 30 - QD1 ILE 76 QG2 ILE 8 - HB2 GLU 17 QG2 ILE 8 - HB3 ARG 19 QG2 ILE 8 - HB3 LYS 20 QG2 ILE 8 - HB VAL 32 Upper QD2 LEU 2 - HA GLU 35 3.97 9 0.13 0.50 + +* ++++ + + peak 9027 QD2 LEU 2 - HA LEU 38 QD2 LEU 2 - HA LYS 40 QD2 LEU 2 - HA GLU 43 QD2 LEU 2 - HA ALA 89 QD2 LEU 2 - HA ARG 91 QD2 LEU 2 - HA LYS 94 QD1 LEU 14 - HA LYS 66 QD1 LEU 42 - HA ARG 46 HA ARG 46 - QD1 ILE 52 QG2 VAL 58 - HA LYS 66 Upper QD2 LEU 2 - HG3 GLU 37 4.86 6 0.05 0.31 + +++* + peak 8850 QG2 ILE 7 - HG3 GLU 37 QG2 VAL 32 - HG3 GLU 37 HG3 GLU 37 - QD2 LEU 38 HG3 GLU 37 - QD1 LEU 70 HG3 GLU 37 - QD2 LEU 70 HG3 GLU 37 - QD1 ILE 76 Upper QD2 LEU 2 - HG2 LYS 39 3.55 8 0.06 0.27 ++ + + + ++ * peak 9179 QG2 ILE 7 - HG2 LYS 39 QG2 ILE 15 - HG2 LYS 39 HG2 LYS 39 - QD1 LEU 70 HG2 LYS 39 - QD2 LEU 70 HG2 LYS 39 - QD1 ILE 76 HG3 LYS 68 - QD1 ILE 76 HG3 MET 1 - H LYS 53 HG3 GLU 17 - H LYS 53 HG3 GLU 48 - H LYS 53 HG3 GLN 50 - H LYS 53 H LYS 53 - HG3 GLU 99 Upper QD2 LEU 2 - HG2 LYS 39 3.32 11 0.15 0.48 ++ + + * + ++++ + peak 10295 QG2 ILE 7 - HG2 LYS 39 QG2 ILE 15 - HG2 LYS 39 HG2 LYS 39 - QD1 LEU 70 HG2 LYS 39 - QD2 LEU 70 HG2 LYS 39 - QD1 ILE 76 HG3 LYS 68 - QD1 ILE 76 QG1 VAL 83 - HE1 TRP 92 Upper QD2 LEU 2 - HB3 ASN 51 5.00 9 0.14 0.66 + * + + +++ + + peak 9116 QG2 ILE 7 - HB3 ASN 51 QG2 ILE 8 - HB3 ASN 51 HB3 ASN 51 - QG2 ILE 52 HB3 ASN 51 - QD2 LEU 57 HB3 ASN 51 - QD1 ILE 76 Upper QD2 LEU 2 - HD22 ASN 51 3.93 12 0.09 0.23 ++ + ++ *+ ++ + ++ peak 8209 QG2 ILE 7 - HD22 ASN 51 HD22 ASN 51 - QD1 LEU 57 HD22 ASN 51 - QD2 LEU 57 HD22 ASN 51 - QD1 ILE 76 HD1 TYR 4 - QD2 LEU 6 HE1 TYR 4 - QD2 LEU 6 HE2 TYR 4 - QD2 LEU 6 HD2 TYR 4 - QD2 LEU 6 Upper QD2 LEU 2 - QD1 LEU 55 3.14 6 0.05 0.29 + + + * + + peak 9584 QD1 LEU 55 - QD1 LEU 57 H LEU 14 - HB2 MET 74 H LEU 38 - HB2 MET 74 HB2 MET 74 - H ILE 76 Upper QD2 LEU 2 - QD1 LEU 55 3.04 12 0.13 0.36 ++ + ++ ++*+ + + + peak 9560 QD1 LEU 55 - QD1 LEU 57 HA GLU 69 - HB2 GLN 72 HB2 GLN 72 - HA GLU 75 Upper QD2 LEU 2 - H ILE 56 4.51 7 0.08 0.37 ++ + +++ * peak 10667 QG2 VAL 32 - H ILE 56 QD2 LEU 38 - H ILE 56 H ILE 56 - QD1 LEU 57 H ILE 56 - QD2 LEU 103 Upper QD2 LEU 2 - H VAL 58 3.58 18 0.15 0.38 ++*+++ +++++++ +++++ peak 6950 QG2 VAL 32 - H VAL 58 QD1 LEU 57 - H VAL 58 H VAL 58 - QD1 LEU 70 Upper QD2 LEU 2 - HA VAL 58 3.91 20 0.55 0.62 +++*++++++++++++++++ peak 10703 QG2 ILE 7 - HA VAL 58 QD1 LEU 57 - HA VAL 58 QD2 LEU 57 - HA VAL 58 HA VAL 58 - QD1 LEU 70 HA VAL 58 - QD2 LEU 70 HA VAL 58 - QD1 ILE 76 Upper QD2 LEU 2 - H SER 59 4.14 14 0.18 0.47 + ++++*++ + + + ++ + peak 9173 QG2 ILE 7 - H SER 59 QG2 ILE 15 - H SER 59 QD2 LEU 57 - H SER 59 H SER 59 - QD1 LEU 70 H SER 59 - QD2 LEU 70 H SER 59 - QD1 ILE 76 HA LEU 2 - QD1 ILE 52 HA SER 9 - QD1 ILE 52 HA GLU 48 - QD1 ILE 52 QD1 ILE 52 - HA ILE 76 QD1 ILE 52 - HB THR 84 Upper QD2 LEU 2 - H SER 59 4.20 20 0.33 0.45 ++++++*+++++++++++++ peak 9706 QG2 ILE 7 - H SER 59 QG2 ILE 15 - H SER 59 QD2 LEU 57 - H SER 59 H SER 59 - QD1 LEU 70 H SER 59 - QD2 LEU 70 H SER 59 - QD1 ILE 76 H ASP 65 - QG2 THR 80 Upper QD2 LEU 2 - HD3 LYS 66 2.83 20 0.54 0.97 ++++++++++*+++++++++ peak 7548 QD1 LEU 57 - HD3 LYS 66 HD3 LYS 66 - QD1 LEU 70 HD3 LYS 66 - QD2 LEU 70 HD3 LYS 66 - QD1 ILE 76 H LYS 94 - H PHE 96 H LYS 94 - H GLU 104 Upper QD2 LEU 2 - H LYS 73 4.08 15 0.13 0.35 +++++* +++ + +++++ peak 8851 QG2 ILE 7 - H LYS 73 QG2 ILE 15 - H LYS 73 QD2 LEU 57 - H LYS 73 QD1 LEU 70 - H LYS 73 QD2 LEU 70 - H LYS 73 H LYS 73 - QD1 ILE 76 QG1 VAL 5 - H LEU 38 QD1 ILE 8 - H LEU 38 QD2 LEU 14 - H LEU 38 H LEU 38 - HG13 ILE 56 H LEU 38 - QD1 ILE 56 H LEU 38 - QG1 VAL 58 H LEU 38 - QG2 VAL 78 Upper QD2 LEU 2 - HB VAL 83 3.99 9 0.03 0.14 +++++ + +*+ peak 10804 QG2 ILE 7 - HB VAL 83 QD2 LEU 57 - HB VAL 83 QD2 LEU 70 - HB VAL 83 HA GLU 69 - HE21 GLN 72 Upper QD2 LEU 2 - HB3 TRP 92 3.95 10 0.07 0.24 ++ ++ +* ++ + + peak 9309 QG2 ILE 7 - HB3 TRP 92 QG2 ILE 15 - HB3 TRP 92 QD2 LEU 57 - HB3 TRP 92 QD1 LEU 70 - HB3 TRP 92 QD2 LEU 70 - HB3 TRP 92 QD1 ILE 76 - HB3 TRP 92 H LEU 2 - QG2 ILE 56 H THR 31 - QG2 ILE 56 QG2 ILE 56 - H ARG 79 Upper QD2 LEU 2 - HD1 TRP 92 3.77 20 0.70 0.86 ++++++++++++*+++++++ peak 8460 QG2 ILE 7 - HD1 TRP 92 QG2 ILE 15 - HD1 TRP 92 QD2 LEU 57 - HD1 TRP 92 QD1 LEU 70 - HD1 TRP 92 QD2 LEU 70 - HD1 TRP 92 QD1 ILE 76 - HD1 TRP 92 H ILE 15 - QB ALA 18 H ILE 15 - QG2 THR 84 Upper QD2 LEU 2 - HD1 TRP 92 3.92 7 0.06 0.45 ++ + +* + + peak 10869 QG2 ILE 7 - HD1 TRP 92 QG2 ILE 15 - HD1 TRP 92 QD1 LEU 57 - HD1 TRP 92 QD2 LEU 57 - HD1 TRP 92 QD1 LEU 70 - HD1 TRP 92 QD2 LEU 70 - HD1 TRP 92 QD1 ILE 76 - HD1 TRP 92 HE2 LYS 39 - QE MET 74 HE3 LYS 39 - QE MET 74 HB2 ASN 60 - QE MET 74 Upper QD2 LEU 2 - HZ3 TRP 92 3.60 11 0.07 0.23 + + ++ + ++ *+ + + peak 8609 QG2 ILE 7 - HZ3 TRP 92 QG2 ILE 15 - HZ3 TRP 92 QD2 LEU 57 - HZ3 TRP 92 QD1 LEU 70 - HZ3 TRP 92 QD2 LEU 70 - HZ3 TRP 92 QD1 ILE 76 - HZ3 TRP 92 HA GLU 23 - H ASN 26 H ASN 26 - HA LYS 47 H ASN 26 - HA GLU 62 H ASN 26 - HA GLN 72 Upper H LEU 3 - HB2 LEU 3 3.57 6 0.08 0.30 + + + + +* peak 6025 H LEU 3 - HD3 LYS 53 Upper H LEU 3 - QD2 LEU 3 4.43 14 0.08 0.26 + +++++++ ++++ +* peak 6028 Upper H LEU 3 - H TYR 4 4.31 8 0.03 0.11 + + +++ + +* peak 6032 Upper H LEU 3 - QE MET 74 5.48 6 0.01 0.05 * ++ + + + peak 9588 H LYS 73 - QE MET 74 Upper HA LEU 3 - H SER 9 4.40 20 0.48 0.66 ++*+++++++++++++++++ peak 9519 HA TYR 4 - H SER 9 HA ILE 7 - H SER 9 H SER 9 - HA SER 85 QG2 VAL 32 - H ALA 67 QD1 LEU 57 - H ALA 67 H ALA 67 - QD2 LEU 103 Upper HA LEU 3 - HG13 ILE 15 3.78 20 0.53 0.69 ++*+++++++++++++++++ peak 14635 HA LEU 3 - QD1 LEU 27 HA LEU 3 - QG1 VAL 54 HA LEU 3 - QG2 ILE 93 HA LEU 3 - HG13 ILE 93 QG2 THR 80 - HD1 TRP 92 QG1 VAL 83 - HD1 TRP 92 Upper HA LEU 3 - HG LEU 57 3.71 14 0.26 0.46 +++ + +++*++ ++++ peak 593 HA VAL 5 - HG LEU 57 HA ILE 7 - HG LEU 57 HG LEU 57 - HA SER 85 HB3 MET 1 - HA LEU 14 HA LEU 14 - HB3 GLU 17 HA LEU 14 - QE MET 74 Upper HA LEU 3 - HB3 PRO 86 5.41 20 0.29 0.35 +++++++++*++++++++++ peak 9858 HA ILE 7 - HB3 PRO 86 HA SER 85 - HB3 PRO 86 Upper HB2 LEU 3 - HA TYR 4 4.11 10 0.07 0.24 +* + + + ++ +++ peak 8135 HA TYR 4 - HB3 GLU 28 HA TYR 4 - HD3 LYS 53 Upper HB2 LEU 3 - H GLU 28 3.55 16 0.06 0.14 ++++ *+++ + +++++++ peak 6456 H GLU 28 - HB3 GLU 28 H GLU 28 - HD3 LYS 53 H GLU 28 - HD3 LYS 82 Upper HB2 LEU 3 - H LEU 29 3.41 19 0.59 0.70 *++++++++++++++++ ++ peak 6464 HB3 GLU 28 - H LEU 29 H LEU 29 - HD3 LYS 82 Upper HB2 LEU 3 - QD1 LEU 29 3.91 20 0.45 1.63 ++++++++++++++*+++++ peak 10141 HB3 GLU 28 - QD1 LEU 29 QD1 LEU 29 - HG3 ARG 30 QD1 LEU 29 - HD3 LYS 53 Upper HB3 LEU 3 - H VAL 5 4.33 9 0.08 0.27 + *+++ + + ++ peak 10572 H VAL 5 - HB2 LEU 29 H VAL 5 - QG2 THR 31 H VAL 5 - QG2 THR 34 H VAL 5 - HG2 LYS 40 HG2 LYS 39 - HB2 TYR 41 HG2 LYS 39 - HG3 GLU 43 HG2 LYS 39 - HB2 GLU 48 HG2 LYS 39 - HG2 GLU 63 Upper HB3 LEU 3 - HB2 LEU 27 4.01 10 0.10 0.38 + + ++ + + +* ++ peak 8005 HB2 LEU 27 - HG2 LYS 40 HB2 LEU 27 - HG3 LYS 82 HA MET 1 - HG2 MET 21 HA MET 1 - HB2 ASN 51 Upper HB3 LEU 3 - HB2 LEU 27 4.65 8 0.04 0.22 +* + + ++ + + peak 10554 HB2 LEU 27 - HG2 LYS 40 HB2 LEU 27 - HG3 LYS 82 H GLU 35 - H LEU 38 H LEU 38 - H ILE 56 Upper HB3 LEU 3 - H VAL 32 3.77 7 0.02 0.10 ++ + * + + + peak 6507 QG2 THR 31 - H VAL 32 Upper HB3 LEU 3 - H LYS 40 4.20 20 0.26 0.44 +++++++++++++++++*++ peak 6631 H LYS 40 - HG2 LYS 40 Upper HB3 LEU 3 - HD1 PHE 96 3.21 7 0.03 0.19 + + + +++ * peak 10156 HB3 LEU 3 - HD2 PHE 96 QE MET 21 - QG1 VAL 32 QG1 VAL 32 - HG3 GLU 37 QG1 VAL 32 - HB3 GLU 62 Upper HG LEU 3 - H TYR 4 4.63 9 0.04 0.12 *+ +++ ++ ++ peak 6036 H TYR 4 - HG2 ARG 30 Upper HG LEU 3 - H LEU 29 5.86 8 0.05 0.23 ++++ + + * + peak 8665 H LEU 29 - HG2 ARG 30 H LEU 29 - HB3 LEU 42 H LEU 29 - HG2 LYS 90 Upper HG LEU 3 - HG LEU 29 4.24 17 0.16 0.45 *+++++++++++ +++++ peak 10285 HG LEU 29 - HG2 ARG 30 HG2 ARG 30 - HG13 ILE 76 HB3 LEU 42 - HG13 ILE 76 HG LEU 29 - HG2 LYS 90 HG13 ILE 76 - HG2 LYS 90 Upper HG LEU 3 - H THR 31 4.66 17 0.14 0.26 ++++ ++++++++ +++ +* peak 6495 HG2 ARG 30 - H THR 31 H THR 31 - HB3 LEU 42 H THR 31 - HG2 LYS 90 Upper HG LEU 3 - H GLU 43 3.99 6 0.02 0.14 * + + + + + peak 6688 HG2 ARG 30 - H GLU 43 HB3 LEU 42 - H GLU 43 H GLU 43 - HG2 LYS 90 Upper HG LEU 3 - HA ILE 52 3.85 15 0.13 0.50 *+ ++ ++++ ++++ ++ + peak 8022 HG LEU 3 - HA THR 80 HG3 MET 1 - QD2 LEU 3 Upper HG LEU 3 - HB3 LYS 53 4.45 10 0.07 0.28 + + ++ ++ ++ * + peak 10841 HB3 LYS 53 - HG2 LYS 90 HG3 LYS 47 - HB3 GLN 72 HG2 LYS 68 - HB3 GLN 72 HB3 GLN 72 - HD2 LYS 94 Upper HG LEU 3 - HD1 PHE 96 3.84 20 0.32 0.52 ++*+++++++++++++++++ peak 10295 HG LEU 3 - HD2 PHE 96 QG1 VAL 83 - HE1 TRP 92 Upper HG LEU 3 - HE1 PHE 96 4.50 7 0.02 0.10 + ++ + * ++ peak 10508 HG LEU 3 - HE2 PHE 96 H SER 9 - HG2 ARG 30 H GLU 28 - HG2 ARG 30 HG2 ARG 30 - H TYR 41 HG2 ARG 30 - H LYS 66 Upper QD1 LEU 3 - H TYR 4 4.95 14 0.10 0.24 ++ +++ + + *+ +++ ++ peak 6038 Upper QD1 LEU 3 - H ILE 7 4.24 8 0.07 0.30 + + *++ ++ + peak 10955 QD1 LEU 3 - H LYS 53 QD1 LEU 3 - H VAL 54 QD2 LEU 6 - HB2 SER 85 QD1 LEU 14 - HB2 SER 85 QD2 LEU 14 - HB2 SER 85 QD1 LEU 42 - HB2 SER 85 QD1 ILE 52 - HB2 SER 85 QG2 VAL 58 - HB2 SER 85 Upper QD1 LEU 3 - QD1 LEU 27 3.64 11 0.07 0.33 ++ ++ *++ + + + + peak 10608 QD2 LEU 2 - HB3 GLU 43 QG2 ILE 8 - HB3 GLU 43 HB3 GLU 43 - QD1 LEU 70 HB3 GLU 43 - QD2 LEU 70 HB3 GLU 43 - QD1 ILE 76 Upper QD1 LEU 3 - H LEU 57 4.68 14 0.22 0.74 + ++ *++++ + ++++ + peak 9108 QD1 LEU 55 - H LEU 57 H LEU 57 - HG2 ARG 81 HA LYS 40 - H ASN 51 HB3 SER 49 - H ASN 51 H ASN 51 - HA ALA 67 H ASN 51 - HA LYS 94 Upper QD2 LEU 3 - QD1 LEU 27 3.42 20 0.24 0.57 +++++++++++*++++++++ peak 10653 HG LEU 3 - QG1 VAL 54 HG2 ARG 30 - QG1 VAL 54 HB3 LEU 42 - QG1 VAL 54 Upper QD2 LEU 3 - HE2 LYS 53 4.04 7 0.05 0.25 *+ + + + + + peak 9787 QD2 LEU 3 - HE3 LYS 53 QD2 LEU 3 - HE2 LYS 90 H ARG 81 - QG2 VAL 83 Upper QD2 LEU 3 - HB2 SER 97 3.33 20 0.26 0.46 ++++++++++++*+++++++ peak 9929 QD2 LEU 2 - HA ALA 89 QD2 LEU 57 - HA ALA 89 QD1 ILE 76 - HA ALA 89 Upper QD2 LEU 3 - HB3 SER 97 3.12 20 0.17 0.24 ++++++++++++*+++++++ peak 10403 QD2 LEU 14 - QG2 THR 80 QD2 LEU 14 - QG2 VAL 83 Upper H TYR 4 - HB VAL 5 4.73 20 0.27 0.44 ++++++*+++++++++++++ peak 8137 H TYR 4 - HB ILE 8 H TYR 4 - HB2 ARG 19 H TYR 4 - HG LEU 42 H TYR 4 - HB VAL 54 Upper H TYR 4 - QD1 LEU 27 3.58 11 0.06 0.31 ++ ++ + ++ +* ++ peak 12330 H TYR 4 - QG1 VAL 54 H TYR 4 - QD1 ILE 93 HA LEU 27 - HD2 ARG 79 HA LEU 27 - HD3 ARG 79 HA LEU 55 - HD2 ARG 79 HA LEU 55 - HD3 ARG 79 Upper HA TYR 4 - HG LEU 6 4.88 8 0.09 0.46 *+ ++ ++ + + peak 8224 HA VAL 5 - HG LEU 6 HG LEU 6 - HA ILE 7 HG LEU 6 - HA SER 85 Upper HA TYR 4 - QD1 LEU 6 5.26 12 0.12 0.27 +* + + ++++ ++ ++ peak 8226 QD1 LEU 6 - HA ILE 7 QD1 LEU 6 - HA SER 85 Upper HA TYR 4 - HG2 GLU 28 4.87 6 0.02 0.09 + * + ++ + peak 10947 HA TYR 4 - HG3 GLU 28 HG2 GLU 28 - HA VAL 54 HG3 GLU 28 - HA VAL 54 HG3 ARG 19 - QG2 THR 84 HB ILE 56 - QG2 THR 84 HB3 LYS 82 - QG2 THR 84 Upper HA TYR 4 - QD1 LEU 29 4.28 16 0.11 0.28 +++++ ++ +*+++ +++ + peak 8537 HA TYR 4 - QD2 LEU 29 HA TYR 4 - QG2 VAL 54 QE MET 21 - H LYS 90 QE MET 21 - H SER 102 Upper HA TYR 4 - QD1 LEU 55 5.56 18 0.18 0.39 ++++++++++ ++ ++*+++ peak 9259 HA VAL 54 - QD1 LEU 55 Upper HB2 TYR 4 - HB ILE 52 3.97 15 0.15 0.37 ++ +* ++++++ + ++++ peak 10525 HB2 TYR 41 - HB ILE 52 HG3 GLU 43 - HB ILE 52 HB2 GLU 48 - HB ILE 52 HB ILE 52 - HG2 GLU 63 HB ILE 52 - HD3 ARG 81 HB THR 34 - H GLU 37 HB THR 34 - H MET 74 Upper HB2 TYR 4 - HG13 ILE 52 3.79 17 0.30 0.68 ++ +++++++++ +++*++ peak 9366 HB2 GLU 48 - HG13 ILE 52 HG13 ILE 52 - HD3 ARG 81 H VAL 58 - QG2 THR 80 Upper HB2 TYR 4 - QD1 ILE 52 3.51 12 0.13 0.49 ++ + + +++ + ++*+ peak 10822 HG3 GLU 16 - QD1 ILE 52 HB2 TYR 41 - QD1 ILE 52 HG3 GLU 43 - QD1 ILE 52 HB2 GLU 48 - QD1 ILE 52 QD1 ILE 52 - HG2 GLU 63 QD1 ILE 52 - HD3 ARG 81 HA LYS 39 - QD2 LEU 70 Upper HB2 TYR 4 - H LEU 55 3.16 13 0.19 0.53 +++ + ++ ++++ + +* peak 703 HG3 GLU 16 - H LEU 55 HB2 GLU 48 - H LEU 55 H LEU 55 - HG2 GLU 63 HA LYS 13 - HB3 GLU 16 HB3 GLU 16 - HA GLU 23 HA GLU 23 - HB3 GLU 95 HB3 GLU 16 - HB2 SER 59 HB3 GLU 16 - HA GLN 72 HB3 GLN 50 - HA GLN 72 HA GLN 72 - HB3 GLU 95 Upper HB3 TYR 4 - HG LEU 6 3.25 20 0.30 0.51 +++++*++++++++++++++ peak 9807 HB3 TYR 4 - HB ILE 7 HB3 TYR 4 - HB2 LEU 14 QD2 LEU 6 - QG1 VAL 83 QD1 LEU 14 - QG1 VAL 83 QD2 LEU 14 - QG1 VAL 83 QD1 LEU 42 - QG1 VAL 83 QD1 ILE 52 - QG1 VAL 83 QD1 ILE 56 - QG1 VAL 83 QG2 VAL 58 - QG1 VAL 83 Upper HD1 TYR 4 - H ILE 52 4.82 20 0.39 0.65 +++++++++++++++++*++ peak 10648 HE1 TYR 4 - H ILE 52 HE2 TYR 4 - H ILE 52 HD2 TYR 4 - H ILE 52 HE1 TYR 4 - HA VAL 54 HE2 TYR 4 - HA VAL 54 Upper HD1 TYR 4 - H ILE 52 4.45 11 0.21 0.66 + + + *+++ + ++ + peak 8037 HE1 TYR 4 - H ILE 52 HE2 TYR 4 - H ILE 52 HD2 TYR 4 - H ILE 52 QE MET 1 - H LYS 47 QE MET 1 - H ILE 52 Upper HE1 TYR 4 - QD1 LEU 6 3.40 9 0.04 0.15 + +*+++++ + peak 10697 HE2 TYR 4 - QD1 LEU 6 HE1 TYR 4 - QG2 ILE 52 HE2 TYR 4 - QG2 ILE 52 HA GLU 35 - QD2 LEU 57 QD2 LEU 57 - HA GLU 63 QD2 LEU 57 - HB2 SER 85 QD2 LEU 57 - HA ALA 89 QD2 LEU 57 - HA ARG 91 Upper HE1 TYR 4 - H GLU 28 4.63 20 0.28 0.51 ++++++++++++++++*+++ peak 10042 HE2 TYR 4 - H GLU 28 QD1 ILE 8 - HG3 GLU 95 QD1 ILE 52 - HG3 GLU 95 QG1 VAL 58 - HG3 GLU 95 Upper H VAL 5 - QG1 VAL 5 3.56 20 0.28 0.34 ++++++++*+++++++++++ peak 6054 H VAL 5 - QD2 LEU 27 H VAL 5 - HG13 ILE 56 Upper H VAL 5 - HB ILE 7 4.45 12 0.07 0.26 ++++* +++ + + + + peak 8880 HB ILE 7 - H LEU 57 HB2 LEU 14 - H LEU 57 HG3 GLU 37 - H TYR 41 H TYR 41 - HB VAL 83 Upper H VAL 5 - HG12 ILE 7 3.25 9 0.05 0.22 + + ++ *+ + + + peak 9610 HG12 ILE 7 - H ARG 19 HG12 ILE 7 - H LEU 57 HA GLU 35 - QE MET 74 HA LEU 38 - QE MET 74 HA LYS 40 - QE MET 74 HA GLU 43 - QE MET 74 QE MET 74 - HA LYS 94 QE MET 74 - HA2 GLY 100 Upper H VAL 5 - QD1 LEU 29 3.70 8 0.05 0.19 + + + ++ * ++ peak 8657 H VAL 5 - QD2 LEU 29 H VAL 5 - QG2 VAL 54 HA TYR 4 - HB3 GLU 28 HA ILE 7 - HB3 GLU 28 HB3 GLU 28 - HA VAL 54 Upper H VAL 5 - HG12 ILE 56 4.86 16 0.25 0.49 + ++++ ++++++*+++ + peak 2584 HG12 ILE 56 - H LEU 57 Upper H VAL 5 - HG13 ILE 56 5.11 14 0.19 0.44 +++++++++* + ++ + peak 2592 HG13 ILE 56 - H LEU 57 Upper H VAL 5 - QD1 LEU 57 4.26 7 0.02 0.14 + + +* + + + peak 2641 H LEU 57 - QD1 LEU 57 Upper HB VAL 5 - QD1 LEU 29 3.69 9 0.14 0.50 + * + + + ++ + + peak 7504 HB2 LYS 12 - QD1 LEU 29 QD1 LEU 29 - HB3 LYS 39 QD1 LEU 29 - HB2 LYS 53 QD1 LEU 29 - HB2 LYS 68 QD1 LEU 29 - HB3 LYS 90 HA ASN 60 - H LYS 94 HA TRP 92 - H LYS 94 Upper HB VAL 5 - H ARG 30 2.91 8 0.05 0.18 +++++ + * + peak 9604 HB VAL 5 - H VAL 83 QD2 LEU 2 - QE MET 74 QG2 ILE 7 - QE MET 74 QD1 LEU 70 - QE MET 74 QD2 LEU 70 - QE MET 74 QE MET 74 - QD1 ILE 76 Upper HB VAL 5 - H ARG 30 3.47 10 0.07 0.22 ++ * ++ + ++++ peak 9252 HB2 LYS 12 - H ARG 30 HB3 LYS 12 - H ARG 30 H ARG 30 - HB3 LYS 39 H ARG 30 - HB VAL 54 H ARG 30 - HB3 LYS 66 H ARG 30 - HB3 LYS 68 HB3 LEU 6 - QD1 LEU 55 HB ILE 52 - QD1 LEU 55 QD1 LEU 55 - HG2 LYS 68 QD1 LEU 55 - HD2 LYS 68 QD1 LEU 55 - HD3 LYS 68 QD1 LEU 55 - HB3 ARG 79 Upper QG1 VAL 5 - HB2 LEU 6 4.04 7 0.05 0.24 * ++ + ++ + peak 8194 QG1 VAL 5 - HB2 LEU 29 QG1 VAL 5 - QG2 THR 34 Upper QG1 VAL 5 - HB3 LYS 12 3.62 17 0.17 0.39 ++++ ++++ ++ ++++++* peak 8638 QG1 VAL 5 - HB3 LYS 68 QD2 LEU 14 - HB3 LYS 39 QD2 LEU 14 - HB3 LYS 68 HB2 LYS 12 - QD2 LEU 27 HB3 LYS 12 - QD2 LEU 27 QD2 LEU 27 - HB3 LYS 68 HB3 LYS 68 - QG2 VAL 78 HA ALA 22 - H LEU 27 H LEU 27 - HA ALA 71 H LEU 27 - HA SER 97 Upper QG1 VAL 5 - H LYS 13 4.98 20 0.30 0.58 +++++*++++++++++++++ peak 8384 QD1 ILE 8 - H LYS 13 H LYS 13 - QD2 LEU 14 H LYS 13 - QD2 LEU 27 H LYS 13 - HG13 ILE 56 H LYS 13 - QD1 ILE 56 H LYS 13 - QG1 VAL 58 H LYS 13 - QG2 VAL 78 Upper QG1 VAL 5 - H LEU 27 3.66 8 0.04 0.15 ++ * + + +++ peak 6443 H LEU 27 - QD2 LEU 27 Upper QG1 VAL 5 - H LEU 27 3.52 10 0.06 0.21 * ++++++ ++ + peak 10242 H LEU 27 - QG2 VAL 78 QG1 VAL 5 - H PHE 45 QG1 VAL 5 - H ALA 71 H ALA 71 - QG2 VAL 78 QG1 VAL 5 - H LYS 94 HD2 LYS 39 - QD2 LEU 64 HD3 LYS 39 - QD2 LEU 64 QD2 LEU 64 - HG2 LYS 68 QD2 LEU 64 - HD2 LYS 68 QD2 LEU 64 - HD3 LYS 68 QD2 LEU 64 - HD2 LYS 94 Upper QG1 VAL 5 - HB2 LEU 29 4.06 10 0.07 0.33 + + +++ ++*++ peak 8051 HG13 ILE 15 - HB2 LEU 29 QD1 ILE 15 - HB2 LEU 29 QD2 LEU 27 - HB2 LEU 29 HB2 LEU 29 - QG1 VAL 54 HB2 LEU 2 - HG12 ILE 52 HB2 LEU 2 - HB3 LEU 55 Upper QG1 VAL 5 - H VAL 32 3.37 14 0.35 0.63 ++ + ++*+++ +++++ peak 12271 QD1 ILE 8 - H VAL 32 QD2 LEU 14 - H VAL 32 H VAL 32 - QD1 ILE 52 H VAL 32 - HG13 ILE 56 H VAL 32 - QD1 ILE 56 H VAL 32 - QG1 VAL 58 H VAL 32 - QG2 VAL 78 HB2 LEU 2 - HA ILE 52 HB2 LEU 2 - HA THR 80 Upper QG1 VAL 5 - HA LEU 55 3.64 12 0.08 0.23 +++ + +++ + ++*+ peak 593 HA LEU 55 - QG2 VAL 78 HB3 MET 1 - HA LEU 14 HA LEU 14 - HB3 GLU 17 HA LEU 14 - QE MET 74 Upper QG1 VAL 5 - H LYS 68 3.76 20 0.30 0.46 ++++++++++++++++++*+ peak 10345 QD2 LEU 27 - H LYS 68 HG13 ILE 56 - H LYS 68 QG1 VAL 58 - H LYS 68 QD1 LEU 64 - H LYS 68 H LYS 68 - QG1 VAL 78 H LYS 68 - QG2 VAL 78 HG2 GLU 17 - HA LEU 42 HG2 GLU 37 - HA LEU 42 HA LEU 42 - HG2 GLU 62 HA LEU 42 - HG3 GLU 62 Upper QG1 VAL 5 - HB3 SER 97 3.50 9 0.04 0.16 + ++ + + + + * + peak 10827 QD2 LEU 27 - HB3 SER 97 QG1 VAL 78 - HB3 SER 97 QG2 VAL 78 - HB3 SER 97 HG3 ARG 81 - HB3 SER 97 QG2 ILE 93 - HB3 SER 97 HG13 ILE 93 - HB3 SER 97 H LYS 13 - H GLN 72 H ILE 15 - H GLN 72 H GLU 17 - H GLN 72 H LYS 39 - H GLN 72 H GLN 72 - H GLU 75 Upper QG1 VAL 5 - HB3 SER 97 3.23 8 0.02 0.07 + ++ + + *+ + peak 2981 QD2 LEU 27 - HB3 SER 97 QG1 VAL 78 - HB3 SER 97 QG2 VAL 78 - HB3 SER 97 HG3 ARG 81 - HB3 SER 97 QG2 ILE 93 - HB3 SER 97 HG13 ILE 93 - HB3 SER 97 HA LEU 64 - QB ALA 67 Upper QG2 VAL 5 - HA LEU 27 4.09 12 0.09 0.38 + ++++ + + +* +++ peak 8570 QG2 VAL 5 - HA LEU 55 H ALA 22 - HB3 LEU 27 H ALA 22 - HG3 LYS 68 H ALA 22 - HG3 LYS 94 Upper QG2 VAL 5 - HA LEU 29 3.97 12 0.06 0.20 + +*++++ ++ + + + peak 10460 HA LEU 29 - HB2 ARG 81 HG2 LYS 20 - HG2 GLU 23 HG2 GLU 23 - HB2 LEU 38 HG2 GLU 23 - HG LEU 38 HG13 ILE 52 - HG2 GLU 95 HG2 GLU 23 - HG3 ARG 91 Upper QG2 VAL 5 - H ARG 30 3.21 10 0.10 0.28 ++ + + +++ * + + peak 10212 H ARG 30 - HB2 ARG 81 QD2 LEU 55 - QD1 LEU 57 Upper QG2 VAL 5 - HB ILE 56 3.60 20 1.16 1.37 +++++++++*++++++++++ peak 9328 HG LEU 55 - HB ILE 56 HB ILE 56 - QG2 VAL 83 Upper QG2 VAL 5 - H ARG 81 3.51 15 0.15 0.38 ++*+ + ++ ++ ++++++ peak 7315 H ARG 81 - HB2 ARG 81 Upper QG2 VAL 5 - H LYS 82 3.66 8 0.04 0.24 + ++ +* +++ peak 7325 HB2 ARG 81 - H LYS 82 Upper H LEU 6 - HG LEU 6 4.16 6 0.08 0.61 ++ ++ + * peak 209 HG LEU 6 - H LYS 33 Upper H LEU 6 - HG LEU 6 3.63 7 0.10 0.43 *+ + ++ + + peak 6066 H LEU 6 - HB ILE 7 H LEU 6 - HG12 ILE 56 Upper H LEU 6 - QD1 LEU 6 3.43 16 0.22 0.35 +++ ++*+ +++++++ ++ peak 6068 H LEU 6 - QD2 LEU 42 H LEU 6 - QG2 ILE 52 H LEU 6 - QG1 VAL 54 Upper H LEU 6 - QD2 LEU 6 3.22 14 0.20 1.11 +++ + + ++++ ++*++ peak 6067 H LEU 6 - QD1 LEU 14 H LEU 6 - QD1 LEU 42 H LEU 6 - QD1 ILE 52 Upper H LEU 6 - H ILE 7 4.42 6 0.01 0.07 + ++ ++ * peak 6071 Upper H LEU 6 - HB VAL 32 3.49 6 0.01 0.06 ++ + + + * peak 1400 HB VAL 32 - H LYS 33 Upper H LEU 6 - H LEU 38 4.71 11 0.07 0.25 ++++ +++ ++ *+ peak 10602 H LYS 33 - H LEU 38 H ILE 15 - HA LEU 42 H GLU 17 - HA LEU 42 HA LEU 42 - H LYS 90 HA LEU 42 - H SER 102 Upper H LEU 6 - H ILE 56 3.83 9 0.03 0.17 + + + + + ++ * + peak 7568 H LEU 6 - H THR 84 HA LEU 70 - H SER 97 HA GLU 95 - H SER 97 Upper H LEU 6 - QG2 ILE 56 3.85 11 0.07 0.31 + + +++*+ + +++ peak 9667 H LYS 33 - QG2 ILE 56 QD2 LEU 6 - HG12 ILE 76 QD1 LEU 14 - HG12 ILE 76 QD1 LEU 42 - HG12 ILE 76 QD1 ILE 52 - HG12 ILE 76 Upper HB2 LEU 6 - HA GLU 37 4.28 8 0.03 0.14 + + ++++* + peak 8357 HB2 LEU 29 - HA GLU 37 QG2 THR 34 - HA GLU 37 HA GLU 37 - HG2 LYS 40 QG2 ILE 8 - HB2 ASN 10 HB2 ASN 10 - QD1 ILE 15 HB2 ASN 10 - QG1 VAL 54 HB2 ASN 10 - QD1 ILE 93 Upper HB2 LEU 6 - HG13 ILE 56 4.72 10 0.14 0.51 + + *+ +++ + + + peak 10676 QG2 THR 34 - HG13 ILE 56 HG13 ILE 56 - HB2 LEU 57 Upper HB3 LEU 6 - H TYR 41 3.21 20 0.44 0.63 ++++++*+++++++++++++ peak 6646 HD2 LYS 39 - H TYR 41 HD3 LYS 39 - H TYR 41 HB2 LYS 40 - H TYR 41 H TYR 41 - HG2 LYS 68 H TYR 41 - HD2 LYS 68 H TYR 41 - HD3 LYS 68 H TYR 41 - HB ILE 76 Upper HB3 LEU 6 - HA SER 49 3.53 10 0.14 0.44 + + *+ + ++ + ++ peak 8518 HG3 LYS 20 - HA SER 49 HA SER 49 - HB ILE 52 HA SER 49 - HB ILE 76 HG2 ARG 19 - QD1 LEU 29 HG2 ARG 19 - QG2 VAL 54 Upper HB3 LEU 6 - HB2 ASP 77 5.40 12 0.13 0.33 +++++* + +++ + + peak 10893 HD2 LYS 39 - HB2 ASP 77 HB ILE 52 - HB2 ASP 77 HD2 LYS 68 - HB2 ASP 77 HD3 LYS 68 - HB2 ASP 77 HB ILE 76 - HB2 ASP 77 Upper HB3 LEU 6 - H THR 80 3.70 9 0.18 0.60 ++ ++* + +++ peak 7300 HB ILE 52 - H THR 80 HG2 LYS 68 - H THR 80 HD2 LYS 68 - H THR 80 HD3 LYS 68 - H THR 80 HB3 ARG 79 - H THR 80 Upper HG LEU 6 - H ILE 7 4.59 18 0.25 0.72 ++*+++ ++++++++++ ++ peak 216 HG LEU 6 - H LEU 29 HG LEU 6 - H LYS 53 Upper HG LEU 6 - QG2 VAL 32 3.71 11 0.08 0.27 ++ ++ * +++ + ++ peak 10159 HB ILE 7 - QG2 VAL 32 HB2 LEU 14 - QG2 VAL 32 HG3 ARG 30 - QG2 VAL 32 QG2 VAL 32 - HG3 LYS 33 QG2 VAL 32 - HG12 ILE 56 QG2 VAL 32 - HG LEU 57 QG2 VAL 32 - HB3 LEU 103 Upper HG LEU 6 - QG2 THR 34 3.77 13 0.08 0.35 +++ ++ ++ +++ + +* peak 8755 HG3 LYS 33 - QG2 THR 34 QG2 THR 34 - HG12 ILE 56 Upper HG LEU 6 - H LEU 57 3.72 20 0.45 0.67 ++*+++++++++++++++++ peak 6933 HB ILE 7 - H LEU 57 HG12 ILE 56 - H LEU 57 Upper QD1 LEU 6 - H ILE 7 3.11 15 0.47 0.94 +++ + + ++*++ +++++ peak 6077 H ILE 7 - QG2 ILE 8 H ILE 7 - QD1 ILE 15 H ILE 7 - QD1 LEU 27 H ILE 7 - QD2 LEU 42 H ILE 7 - QG2 ILE 52 H ILE 7 - QG1 VAL 54 Upper QD1 LEU 6 - H LEU 29 3.95 20 0.99 1.14 +++*++++++++++++++++ peak 8837 QD1 ILE 15 - H LEU 29 QD1 LEU 27 - H LEU 29 H LEU 29 - QG1 VAL 54 QG2 ILE 7 - HB2 GLU 37 HB2 GLU 37 - QD2 LEU 70 HB2 GLU 37 - QD1 ILE 76 Upper QD1 LEU 6 - H LEU 29 4.52 8 0.06 0.26 ++ ++ *+ ++ peak 10768 QD1 ILE 15 - H LEU 29 QD1 LEU 27 - H LEU 29 H LEU 29 - QG1 VAL 54 HB2 ASP 36 - H ASP 65 HB3 ASP 36 - H ASP 65 HB2 ASP 61 - H ASP 65 HG3 GLU 63 - H ASP 65 Upper QD1 LEU 6 - HG2 ARG 30 4.39 7 0.07 0.35 + + + + ++ * peak 10042 QD1 LEU 27 - HG2 ARG 30 HG2 ARG 30 - QD2 LEU 42 QD1 ILE 8 - HG3 GLU 95 QD1 ILE 52 - HG3 GLU 95 QG1 VAL 58 - HG3 GLU 95 Upper QD1 LEU 6 - H LEU 42 3.38 6 0.06 0.28 * + + ++ + peak 6677 H LEU 42 - QD2 LEU 42 H LEU 42 - QG1 VAL 54 Upper QD1 LEU 6 - H GLU 43 4.22 16 0.27 0.47 ++* ++ + +++++++ +++ peak 6691 QD2 LEU 42 - H GLU 43 H GLU 43 - QG1 VAL 54 H GLU 43 - QD1 ILE 93 Upper QD1 LEU 6 - H GLU 44 4.11 18 0.44 0.73 +++++*++++++++ +++ + peak 8734 QG2 ILE 8 - H GLU 44 QD1 ILE 15 - H GLU 44 QD1 LEU 27 - H GLU 44 QD2 LEU 42 - H GLU 44 H GLU 44 - QG2 ILE 52 H GLU 44 - QG1 VAL 54 H GLU 44 - QD1 ILE 93 HB ILE 8 - QG2 THR 31 HB3 LEU 14 - QG2 THR 31 HB2 ARG 19 - QG2 THR 31 QG2 THR 31 - HB VAL 54 Upper QD1 LEU 6 - HA PHE 45 3.90 19 0.31 0.60 ++++ ++++++++++++++* peak 12026 QD1 LEU 27 - HA PHE 45 QD2 LEU 42 - HA PHE 45 HA PHE 45 - QG2 ILE 52 HA PHE 45 - QG1 VAL 54 HA PHE 45 - QD1 ILE 93 HB3 LEU 2 - HB2 GLU 17 HG LEU 3 - HB2 GLU 17 HB2 GLU 17 - HB3 LEU 42 Upper QD1 LEU 6 - HB2 PHE 45 3.41 14 0.10 0.33 ++ ++ ++*++ +++++ peak 10195 QD2 LEU 42 - HB2 PHE 45 HB2 PHE 45 - QG2 ILE 52 HB2 PHE 45 - QG1 VAL 54 HB2 LEU 27 - QG2 THR 80 HG3 LYS 39 - QG2 THR 80 HG13 ILE 52 - QG2 THR 80 QG2 THR 80 - HD2 LYS 82 Upper QD1 LEU 6 - HD1 PHE 45 4.40 11 0.08 0.31 + * +++ +++ ++ + peak 9092 QD1 LEU 6 - HD2 PHE 45 QD2 LEU 2 - HE22 GLN 50 QG2 ILE 7 - HE22 GLN 50 HE22 GLN 50 - QD2 LEU 57 HE22 GLN 50 - QD2 LEU 70 HE22 GLN 50 - QD1 ILE 76 Upper QD1 LEU 6 - HZ PHE 45 3.11 15 0.18 0.38 + + * +++++++ +++ ++ peak 1019 QD2 LEU 42 - HZ PHE 45 HZ PHE 45 - QG2 ILE 52 HZ PHE 45 - QG1 VAL 54 HA GLU 16 - HB2 GLU 23 HA GLU 17 - HB2 GLU 23 HA LYS 20 - HB2 GLU 23 HB2 GLU 23 - HB3 SER 59 Upper QD1 LEU 6 - HB3 SER 49 3.89 6 0.08 0.35 + + + * + + peak 9260 QG2 ILE 8 - HB3 SER 49 HG13 ILE 15 - HB3 SER 49 QD1 ILE 15 - HB3 SER 49 QD2 LEU 42 - HB3 SER 49 HB3 SER 49 - QG2 ILE 52 HB3 SER 49 - QD1 ILE 93 QD2 LEU 55 - HA PHE 96 Upper QD1 LEU 6 - H LYS 53 3.63 15 0.18 0.38 ++++ +++++ + +*+++ peak 6870 QG2 ILE 52 - H LYS 53 H LYS 53 - QG1 VAL 54 Upper QD1 LEU 6 - HA LYS 53 4.22 11 0.37 0.77 + ++*++ +++++ peak 9199 QG2 ILE 7 - HA LYS 53 QG2 ILE 8 - HA LYS 53 QD1 LEU 27 - HA LYS 53 QD2 LEU 42 - HA LYS 53 QG2 ILE 52 - HA LYS 53 HA LYS 53 - QD1 ILE 76 Upper QD1 LEU 6 - H VAL 54 3.40 18 0.12 0.22 *+++ +++++++++ +++++ peak 6898 QD1 LEU 27 - H VAL 54 QD2 LEU 42 - H VAL 54 QG2 ILE 52 - H VAL 54 H VAL 54 - QG1 VAL 54 H VAL 54 - QG1 VAL 78 H VAL 54 - QD1 ILE 93 Upper QD2 LEU 6 - H ILE 7 3.41 20 0.16 0.56 +++++++++++++++++*++ peak 6076 H ILE 7 - QD1 LEU 14 H ILE 7 - QD1 LEU 42 H ILE 7 - QD1 ILE 52 H ILE 7 - QG2 VAL 58 Upper QD2 LEU 6 - HA ILE 15 3.92 20 0.77 0.88 ++++++++++++*+++++++ peak 12021 QD1 LEU 14 - HA ILE 15 HA ILE 15 - QD1 LEU 42 HA ILE 15 - QG2 VAL 58 Upper QD2 LEU 6 - HG3 GLU 16 3.62 14 0.09 0.24 +++++++ + +++ + * + peak 8737 QD2 LEU 6 - HG2 GLU 63 QD1 ILE 8 - HG2 GLU 63 QD1 LEU 14 - HG2 GLU 63 QD2 LEU 14 - HG2 GLU 63 QD1 LEU 42 - HG2 GLU 63 HG3 GLU 16 - QD1 ILE 52 QD1 ILE 52 - HG2 GLU 63 QD1 ILE 56 - HG2 GLU 63 QG2 VAL 58 - HG2 GLU 63 QD2 LEU 6 - H THR 31 QD1 LEU 14 - H THR 31 H THR 31 - QD1 LEU 42 H THR 31 - QG2 VAL 58 Upper QD2 LEU 6 - H TYR 41 4.56 7 0.04 0.21 ++ * + ++ + peak 8870 QD1 ILE 8 - H TYR 41 QD2 LEU 14 - H TYR 41 H TYR 41 - QD1 LEU 42 H TYR 41 - QD1 ILE 52 Upper QD2 LEU 6 - HB3 GLU 48 3.12 17 0.17 0.34 ++++ ++++ ++++ ++++* peak 8794 QD1 ILE 8 - HB3 GLU 48 QD1 LEU 14 - HB3 GLU 48 QD2 LEU 14 - HB3 GLU 48 QD1 LEU 42 - HB3 GLU 48 HB3 GLU 48 - QD1 ILE 52 QD1 ILE 52 - HB2 GLU 99 HB3 GLU 48 - QG2 VAL 58 HA ILE 8 - H ASP 36 HB THR 34 - H ASP 36 Upper QD2 LEU 6 - HA SER 49 3.56 6 0.11 0.55 ++ + + * + peak 10343 QD1 LEU 14 - HA SER 49 QD1 LEU 42 - HA SER 49 HA SER 49 - QD1 ILE 52 HA SER 49 - QG2 VAL 58 QE MET 1 - HA LEU 42 HB2 GLU 37 - HA LEU 42 HA LEU 42 - HB2 GLU 44 HA LEU 42 - HB3 GLU 44 HA LEU 42 - HB2 ARG 46 HA LEU 42 - QE MET 74 Upper QD2 LEU 6 - QD2 LEU 57 2.65 20 1.16 1.36 ++++++*+++++++++++++ peak 10696 QD1 ILE 8 - QD2 LEU 57 HG13 ILE 56 - QD2 LEU 57 QD1 ILE 56 - QD2 LEU 57 QD2 LEU 57 - QG2 VAL 58 Upper QD2 LEU 6 - HB2 GLU 63 3.67 6 0.04 0.25 + + * ++ + peak 9401 QD1 LEU 14 - HB2 GLU 63 QD1 LEU 42 - HB2 GLU 63 QD1 ILE 52 - HB2 GLU 63 QG2 VAL 58 - HB2 GLU 63 HG2 GLU 35 - H SER 59 HG3 GLU 35 - H SER 59 H SER 59 - HB2 GLU 63 H SER 59 - HG3 PRO 86 H SER 59 - HB2 GLU 95 Upper QD2 LEU 6 - HB3 LYS 82 3.35 8 0.07 0.24 + * + + ++ + + peak 8685 QD1 LEU 14 - HB3 LYS 82 QD1 LEU 42 - HB3 LYS 82 QD1 ILE 52 - HB3 LYS 82 QD1 ILE 56 - HB3 LYS 82 QG2 VAL 58 - HB3 LYS 82 HA ARG 19 - QD2 LEU 29 QD2 LEU 29 - HA LYS 68 Upper QD2 LEU 6 - H THR 84 3.86 13 0.10 0.31 * ++++ + + + +++ + + peak 10427 QD1 LEU 14 - H THR 84 QD1 LEU 42 - H THR 84 QD1 ILE 52 - H THR 84 QD1 ILE 56 - H THR 84 QG2 VAL 58 - H THR 84 HA MET 1 - H GLU 17 HA LYS 13 - H GLU 17 H GLU 17 - HA GLU 23 H GLU 17 - HB2 SER 59 H GLU 17 - HA GLN 72 Upper QD2 LEU 6 - H LYS 90 2.86 20 0.48 0.58 ++*+++++++++++++++++ peak 7409 QD1 LEU 14 - H LYS 90 QD2 LEU 14 - H LYS 90 QD1 LEU 42 - H LYS 90 QD1 ILE 52 - H LYS 90 QD1 ILE 56 - H LYS 90 H ALA 89 - H ARG 91 Upper H ILE 7 - HG12 ILE 7 3.90 20 0.32 0.56 +++++++++++++*++++++ peak 6081 H ILE 7 - HG LEU 29 Upper H ILE 7 - HG12 ILE 7 4.34 20 0.22 0.65 ++++++++*+++++++++++ peak 257 HG12 ILE 7 - H LEU 29 Upper H ILE 7 - HG13 ILE 7 4.74 18 0.33 0.45 ++ +++++ +++*+++++++ peak 265 HG13 ILE 7 - H LEU 29 Upper H ILE 7 - HG13 ILE 7 3.95 14 0.23 0.68 +++++++*+ ++++ + peak 6082 H ILE 7 - HG13 ILE 8 Upper H ILE 7 - QD1 ILE 7 3.79 20 0.43 0.65 ++++++++++++*+++++++ peak 6083 Upper H ILE 7 - HG LEU 29 4.47 6 0.02 0.16 + + ++ + * peak 1287 H LEU 29 - HG LEU 29 Upper H ILE 7 - QD2 LEU 29 3.89 6 0.02 0.10 + + *+ + + peak 1295 H LEU 29 - QD2 LEU 29 Upper H ILE 7 - HG2 ARG 46 3.90 14 0.05 0.27 +++ +*++++ + + +++ peak 10409 H ILE 7 - HB2 LYS 53 H ILE 7 - HB3 LEU 57 H ILE 7 - HB2 LYS 68 H ILE 7 - HB3 LYS 90 HB3 SER 9 - QD1 LEU 14 QD1 LEU 14 - HA TYR 41 QD1 LEU 14 - HA GLU 63 Upper H ILE 7 - QG2 ILE 52 3.73 14 0.16 0.38 ++++ +++++ + +* ++ peak 2357 QG2 ILE 52 - H LYS 53 Upper HA ILE 7 - HB ILE 8 4.44 18 0.21 0.40 ++ +++++ ++++++++++* peak 8273 HA ILE 7 - HB3 LEU 14 Upper HA ILE 7 - QD2 LEU 14 3.55 9 0.07 0.22 + * ++ + ++ + + peak 8688 QD2 LEU 14 - HA SER 85 HA ARG 19 - QD1 LEU 29 QD1 LEU 29 - HA LYS 68 Upper HB ILE 7 - H ILE 8 4.12 20 0.19 0.26 ++++++++++++++++++*+ peak 6088 H ILE 8 - HB2 LEU 14 Upper HB ILE 7 - H SER 9 4.34 14 0.07 0.21 +++ +++* +++ +++ + peak 9847 H SER 9 - HB2 LEU 14 H SER 9 - HG3 ARG 30 H LEU 14 - HB3 SER 85 H LYS 24 - HB3 SER 85 H ILE 76 - HB3 SER 85 HB3 SER 85 - H GLU 88 Upper HB ILE 7 - H ASP 11 4.09 20 0.41 0.54 +++++++++++++++*++++ peak 9815 H ASP 11 - HB2 LEU 14 HB2 LYS 13 - QG2 VAL 83 HB3 LYS 13 - QG2 VAL 83 HB3 ARG 19 - QG2 VAL 83 HB3 LYS 20 - QG2 VAL 83 HB3 LYS 47 - QG2 VAL 83 QG2 VAL 83 - HG3 GLU 88 QG2 VAL 83 - HB2 LYS 94 Upper HB ILE 7 - HB2 ASP 11 4.35 20 0.23 0.33 +++++++++++++++*++++ peak 9687 HB2 ASP 11 - HB2 LEU 14 HA ARG 19 - HB VAL 78 HA ALA 22 - HB VAL 78 HA LYS 68 - HB VAL 78 HB VAL 78 - HA SER 97 Upper HB ILE 7 - H ILE 15 3.72 20 0.25 0.30 ++*+++++++++++++++++ peak 6211 HB2 LEU 14 - H ILE 15 Upper HB ILE 7 - H THR 31 4.16 13 0.12 0.31 + + ++ +++++ * + ++ peak 6496 HG3 ARG 30 - H THR 31 H THR 31 - HG2 ARG 79 H THR 31 - HG3 ARG 79 Upper HB ILE 7 - HB2 GLU 63 4.57 18 0.16 0.57 +++++*+ ++++++ +++++ peak 10041 HB2 LEU 14 - HB2 GLU 63 HB2 LEU 14 - HG3 PRO 86 QG2 ILE 8 - HG3 GLU 95 QG2 ILE 52 - HG3 GLU 95 QD1 ILE 93 - HG3 GLU 95 Upper QG2 ILE 7 - QD1 ILE 7 2.85 20 0.14 0.22 +++++*++++++++++++++ peak 255 Upper QG2 ILE 7 - HA SER 9 3.61 20 0.18 0.23 +++*++++++++++++++++ peak 3415 QG2 ILE 7 - HA ILE 76 HA ILE 76 - QD1 ILE 76 Upper QG2 ILE 7 - HB2 SER 9 3.48 16 0.13 0.44 +++ +++++++*+ + + ++ peak 8323 QG2 ILE 8 - HB2 SER 9 HB2 SER 9 - QG2 ILE 52 HB2 SER 9 - QD1 ILE 76 Upper QG2 ILE 7 - HB3 SER 9 3.40 19 0.21 0.31 ++++ ++++*++++++++++ peak 492 QG2 ILE 7 - HA TYR 41 QG2 ILE 7 - HA GLU 63 HA LYS 13 - H GLU 16 H GLU 16 - HA GLN 72 HA LYS 13 - H ARG 46 HA LYS 13 - H GLY 101 Upper QG2 ILE 7 - H LEU 14 4.88 20 0.50 0.55 +++++++++++*++++++++ peak 10397 QG2 ILE 8 - H LEU 14 H LEU 14 - QG2 ILE 15 H LEU 14 - QD1 ILE 76 Upper QG2 ILE 7 - H ILE 15 3.22 20 0.30 0.32 ++++++*+++++++++++++ peak 6218 H ILE 15 - QG2 ILE 15 H ILE 15 - QD1 LEU 70 H ILE 15 - QD2 LEU 70 Upper QG2 ILE 7 - H ARG 19 3.44 8 0.04 0.20 + + + * + +++ peak 8170 QG2 ILE 8 - H ARG 19 QG2 ILE 15 - H ARG 19 H ARG 19 - QD1 ILE 76 QG2 VAL 5 - HE1 PHE 96 QG2 VAL 5 - HE2 PHE 96 Upper QG2 ILE 7 - HB3 GLU 37 4.84 8 0.13 0.81 + ++* + + + + peak 8840 HB3 GLU 37 - QD2 LEU 38 HB3 GLU 37 - QD1 LEU 70 HB3 GLU 37 - QD2 LEU 70 HB3 GLU 37 - QD1 ILE 76 Upper QG2 ILE 7 - HG3 ARG 46 3.87 11 0.09 0.32 +++ ++ *+++ + + peak 8003 QG2 ILE 15 - HG3 ARG 46 QD2 LEU 38 - HG3 ARG 46 HG3 ARG 46 - QD1 LEU 57 HG3 ARG 46 - QD2 LEU 57 HG3 ARG 46 - QD1 ILE 76 HA MET 1 - HA ASN 51 Upper QG2 ILE 7 - HB2 ASN 51 5.29 9 0.17 0.77 + +++++++ * peak 10636 QG2 ILE 8 - HB2 ASN 51 HB2 ASN 51 - QG2 ILE 52 HB2 ASN 51 - QD2 LEU 57 HB2 ASN 51 - QD1 ILE 76 HB2 ASN 51 - QD1 ILE 93 Upper QG2 ILE 7 - H VAL 58 3.60 20 0.60 0.99 +++*++++++++++++++++ peak 6949 QG2 ILE 8 - H VAL 58 QD2 LEU 57 - H VAL 58 Upper QG2 ILE 7 - H ASP 77 4.88 9 0.04 0.15 * +++ ++ ++ + peak 7267 QG2 ILE 15 - H ASP 77 QD1 ILE 76 - H ASP 77 Upper HG12 ILE 7 - HB2 SER 9 4.21 16 0.15 0.32 + ++++ ++++++*++++ peak 10851 HG12 ILE 7 - HB3 ASP 11 QG2 ILE 8 - HB2 LYS 73 QG2 ILE 8 - HB3 LYS 73 QD1 LEU 27 - HB2 LYS 73 QD1 LEU 27 - HB3 LYS 73 QG2 ILE 52 - HB2 LYS 73 QG2 ILE 52 - HB3 LYS 73 Upper HG12 ILE 7 - HB3 SER 9 4.52 15 0.10 0.39 * ++ ++++++++ +++ + peak 10385 HG12 ILE 7 - HA TYR 41 HA ILE 8 - H ASN 10 Upper HG12 ILE 7 - QD1 LEU 14 3.39 20 0.34 0.49 ++++++++++++*+++++++ peak 12014 HG12 ILE 7 - QD1 LEU 42 HG2 LYS 13 - QD1 LEU 14 QD1 LEU 14 - HG13 ILE 76 QD1 LEU 42 - HG13 ILE 76 Upper HG12 ILE 7 - H ARG 30 3.38 9 0.25 0.60 + * + + + ++ + + peak 6479 HG2 LYS 12 - H ARG 30 QB ALA 22 - H ARG 30 HG LEU 29 - H ARG 30 H ARG 30 - HG3 LYS 39 H ARG 30 - HG13 ILE 76 Upper HG12 ILE 7 - HB3 LEU 42 3.13 20 0.43 0.50 +++++++++++*++++++++ peak 7522 HG3 LYS 39 - HB3 LEU 42 HB3 LEU 42 - HG13 ILE 76 H GLU 43 - H LYS 94 H LYS 94 - H PHE 96 H LYS 94 - H SER 97 H LYS 94 - H GLU 104 Upper HG12 ILE 7 - HB VAL 54 4.04 9 0.05 0.32 +++ + * + + + + peak 10436 HG2 LYS 13 - HB VAL 54 QB ALA 22 - HB VAL 54 HG LEU 29 - HB VAL 54 HB VAL 54 - QB ALA 71 HB VAL 54 - HG13 ILE 76 HB2 LEU 2 - HG2 GLU 17 HD2 LYS 12 - HG2 GLU 17 HD3 LYS 12 - HG2 GLU 17 HD2 LYS 13 - HG2 GLU 17 HD3 LYS 13 - HG2 GLU 17 HG12 ILE 15 - HG2 GLU 17 HG2 GLU 17 - HD3 LYS 90 Upper HG12 ILE 7 - H MET 74 2.89 20 0.34 0.40 +++++++++++++*++++++ peak 9806 HG2 LYS 13 - H MET 74 QB ALA 22 - H MET 74 HG3 LYS 39 - H MET 74 QB ALA 71 - H MET 74 H MET 74 - HG13 ILE 76 QD2 LEU 6 - QG2 VAL 83 QD2 LEU 14 - QG2 VAL 83 QD1 LEU 42 - QG2 VAL 83 HG13 ILE 56 - QG2 VAL 83 QD1 ILE 56 - QG2 VAL 83 Upper HG12 ILE 7 - H ASP 77 4.49 11 0.04 0.15 ++++*+ +++++ peak 7266 HG LEU 29 - H ASP 77 HG13 ILE 76 - H ASP 77 Upper HG13 ILE 7 - H SER 9 4.36 15 0.08 0.32 ++++++++* ++ ++++ peak 8913 HG13 ILE 7 - H TYR 41 HG12 ILE 7 - H LEU 42 H LEU 42 - QB ALA 71 H LEU 42 - HG13 ILE 76 Upper HG13 ILE 7 - H SER 9 3.77 20 0.47 0.60 ++++++++*+++++++++++ peak 6106 HG13 ILE 8 - H SER 9 H SER 9 - QG2 ILE 76 Upper HG13 ILE 7 - HA LYS 33 4.23 7 0.04 0.22 *+ +++ + + peak 10519 QG1 VAL 32 - HA LYS 33 Upper HG13 ILE 7 - H ILE 76 3.58 20 0.26 0.33 ++++++++++++++*+++++ peak 7255 HG13 ILE 8 - H ILE 76 H ILE 76 - QG2 ILE 76 Upper QD1 ILE 7 - H ILE 8 3.93 20 0.24 0.36 ++++*+++++++++++++++ peak 6092 Upper QD1 ILE 7 - HB3 SER 9 4.60 11 0.03 0.17 ++ +++++++ *+ peak 9407 QD1 ILE 7 - HA TYR 41 HG LEU 55 - HB2 SER 59 HB2 SER 59 - QG2 VAL 83 Upper QD1 ILE 7 - HB3 SER 9 3.67 19 0.24 0.37 ++++ ++++++*++++++++ peak 9550 QD1 ILE 7 - HA TYR 41 QG1 VAL 5 - H ALA 71 QD2 LEU 14 - H ALA 71 QD2 LEU 27 - H ALA 71 H ALA 71 - QG2 VAL 78 Upper H ILE 8 - QD1 LEU 29 4.15 18 0.37 0.57 ++++++++++++++ ++* + peak 9723 H ALA 22 - QD1 LEU 29 QG2 VAL 32 - HB THR 80 QD1 LEU 57 - HB THR 80 HB THR 80 - QD2 LEU 103 Upper H ILE 8 - HB VAL 58 3.93 17 0.12 0.29 +++++ +++++++* +++ + peak 6297 HA ALA 18 - H LYS 20 Upper HA ILE 8 - QD2 LEU 14 3.74 11 0.29 0.72 + + + * + +++ + + + peak 10500 HA ASP 11 - QD2 LEU 14 QG2 VAL 5 - QD1 LEU 29 QD1 LEU 29 - HB2 ARG 81 Upper HB ILE 8 - H SER 9 4.17 20 0.26 0.35 ++*+++++++++++++++++ peak 6103 Upper HB ILE 8 - H ASP 11 3.87 7 0.04 0.21 + ++ + * ++ peak 9581 H ASP 11 - HB2 LYS 13 H ASP 11 - HB3 LYS 13 H ASP 11 - HB3 LEU 14 H ASP 11 - HG LEU 42 H ASP 11 - HB VAL 54 HB3 SER 59 - HG3 LYS 73 HG3 LYS 12 - HA LEU 70 HA LEU 70 - HG3 LYS 73 HG3 LYS 73 - HA GLU 75 HG3 LYS 73 - HA GLU 95 Upper HB ILE 8 - H ASP 11 3.26 20 0.16 0.22 +++++++++++++*++++++ peak 732 H ASP 11 - HB2 LYS 13 H ASP 11 - HB3 LYS 13 H ASP 11 - HB3 LEU 14 H ASP 11 - HG LEU 42 H ASP 11 - HB VAL 54 HA GLU 16 - H LYS 20 HA GLU 17 - H LYS 20 Upper HB ILE 8 - HA ASP 11 4.17 17 0.11 0.21 *+++ +++++ ++++++++ peak 8368 HA ASP 11 - HB3 LYS 12 HA ASP 11 - HB3 LEU 14 HA ASP 11 - HG LEU 42 HA ASP 11 - HB VAL 54 Upper HB ILE 8 - H MET 21 3.60 19 0.36 0.50 +++++++ ++++++++++*+ peak 6324 HB2 ARG 19 - H MET 21 HB2 LYS 20 - H MET 21 H MET 21 - HG LEU 42 H MET 21 - HB VAL 54 Upper HB ILE 8 - QD1 LEU 38 3.70 12 0.12 0.36 ++ + ++ ++++ ++ * peak 10997 HB2 LYS 13 - QD1 LEU 38 HB3 LYS 13 - QD1 LEU 38 HB2 LYS 20 - QD1 LEU 38 QD1 LEU 38 - HG LEU 42 QD1 LEU 38 - HB2 GLU 43 HB3 ASN 26 - QD1 ILE 93 HD3 ARG 30 - QD1 ILE 93 HD2 ARG 79 - QD1 ILE 93 HD3 ARG 79 - QD1 ILE 93 QD1 ILE 93 - HB2 PHE 96 Upper HB ILE 8 - QD1 LEU 38 3.12 10 0.07 0.38 + ++ ++ + +* + + peak 3102 HB2 LYS 13 - QD1 LEU 38 HB3 LYS 13 - QD1 LEU 38 HB2 LYS 20 - QD1 LEU 38 QD1 LEU 38 - HG LEU 42 QD1 LEU 38 - HB2 GLU 43 HA ARG 46 - HB2 GLU 69 HA ARG 46 - HB3 GLU 69 HA LYS 66 - HB2 GLU 69 HA LYS 66 - HB3 GLU 69 HB2 GLU 69 - HA PRO 86 HB3 GLU 69 - HA PRO 86 Upper HB ILE 8 - H GLU 43 3.20 14 0.14 0.24 ++* ++ + +++ + + +++ peak 6689 HB3 LEU 14 - H GLU 43 HG LEU 42 - H GLU 43 H GLU 43 - HB2 GLU 43 H GLU 43 - HB VAL 54 Upper HB ILE 8 - H GLU 43 3.20 14 0.14 0.24 ++* ++ + +++ + + +++ peak 6693 HB3 LEU 14 - H GLU 43 HG LEU 42 - H GLU 43 H GLU 43 - HB2 GLU 43 H GLU 43 - HB2 LYS 94 Upper HB ILE 8 - HG13 ILE 56 4.45 20 0.51 0.66 +++*++++++++++++++++ peak 9576 HB3 LEU 14 - HG13 ILE 56 HG12 ILE 8 - H LYS 73 HB3 LEU 27 - H LYS 73 HG2 LYS 39 - H LYS 73 HG3 LYS 40 - H LYS 73 HG3 LYS 68 - H LYS 73 HB2 LEU 70 - H LYS 73 Upper HB ILE 8 - HG13 ILE 56 4.41 20 0.19 0.31 ++++++++*+++++++++++ peak 11072 HB3 LEU 14 - HG13 ILE 56 HB3 GLU 16 - HD3 ARG 46 HG2 GLU 43 - HD3 ARG 46 HD3 ARG 46 - HB3 GLN 50 Upper QG2 ILE 8 - HB3 SER 9 3.60 16 0.14 0.32 + ++ *+ +++ ++++++++ peak 8329 HB3 SER 9 - QD1 ILE 15 HB3 SER 9 - QG2 ILE 52 HB3 SER 9 - QG1 VAL 54 Upper QG2 ILE 8 - H LYS 20 3.14 15 0.13 0.30 ++++ ++ ++ + +*++++ peak 10838 QD1 ILE 15 - H LYS 20 H LYS 20 - QD1 LEU 27 H LYS 20 - QD2 LEU 42 H LYS 20 - QG2 ILE 52 H LYS 20 - QG1 VAL 54 H LYS 20 - QD1 ILE 93 HG13 ILE 15 - HA ALA 71 QD1 ILE 15 - HA ALA 71 QD2 LEU 27 - HA ALA 71 QG1 VAL 54 - HA ALA 71 HA ALA 71 - QG1 VAL 78 HA ALA 71 - QG2 ILE 93 HA ALA 71 - HG13 ILE 93 Upper QG2 ILE 8 - H LYS 20 4.62 12 0.10 0.31 + ++ +++++ +++* peak 12232 QD1 ILE 15 - H LYS 20 H LYS 20 - QD1 LEU 27 H LYS 20 - QD2 LEU 42 H LYS 20 - QG2 ILE 52 H LYS 20 - QG1 VAL 54 H LYS 20 - QD1 ILE 93 HG3 MET 1 - HD2 LYS 90 HG3 GLU 17 - HD2 LYS 90 HG3 GLU 48 - HD2 LYS 90 Upper HG12 ILE 8 - H SER 9 4.45 20 0.46 0.69 +++++++++++++++++++* peak 6105 H SER 9 - HG LEU 14 H SER 9 - HB3 ARG 30 H SER 9 - HG3 LYS 40 Upper HG12 ILE 8 - H LEU 14 4.15 20 0.24 0.34 ++++++++++++*+++++++ peak 6200 H LEU 14 - HG LEU 14 Upper HG12 ILE 8 - H THR 31 3.07 16 0.23 0.51 *+ +++ + +++ +++++++ peak 12126 HG12 ILE 8 - H VAL 32 HG12 ILE 8 - H VAL 54 HG12 ILE 8 - H ALA 67 HG12 ILE 8 - H ARG 79 QG1 VAL 5 - HB VAL 54 QD1 ILE 8 - HB VAL 54 QD1 ILE 52 - HB VAL 54 HB VAL 54 - QG2 VAL 78 Upper HG12 ILE 8 - HG13 ILE 56 3.46 9 0.11 0.56 +++ + ++++ * peak 9166 HG LEU 14 - HG13 ILE 56 HG13 ILE 56 - HB2 LYS 82 HE3 LYS 12 - QG2 ILE 52 HB2 PHE 45 - QG2 ILE 52 HB3 PHE 45 - QG2 ILE 52 HE2 LYS 47 - QG2 ILE 52 HE3 LYS 47 - QG2 ILE 52 QG2 ILE 52 - HE2 LYS 73 Upper HG12 ILE 8 - HG13 ILE 56 3.25 9 0.06 0.29 ++*+ +++ + + peak 10682 HG LEU 14 - HG13 ILE 56 HG13 ILE 56 - HB2 LYS 82 QD1 ILE 8 - QG2 THR 80 QD1 ILE 56 - QG2 THR 80 QD1 ILE 56 - QG1 VAL 83 Upper HG12 ILE 8 - H VAL 58 4.27 20 0.20 0.45 ++++++++++++++*+++++ peak 11024 HG LEU 14 - H VAL 58 HB3 ARG 30 - H VAL 58 H VAL 58 - HB2 LEU 70 HE3 LYS 12 - HG2 GLU 17 HE2 LYS 13 - HG2 GLU 17 HE3 LYS 13 - HG2 GLU 17 HG2 GLU 17 - HE2 LYS 73 HG2 GLU 17 - HE3 LYS 73 Upper HG12 ILE 8 - H ASP 65 4.22 17 0.30 0.79 + ++++++*+ ++++++++ peak 8004 HG LEU 14 - H ASP 65 HB3 LEU 27 - H ASP 65 HG2 LYS 39 - H ASP 65 H ASP 65 - HG3 LYS 68 H ASP 65 - HB2 LYS 82 HA MET 1 - HA ILE 52 HA MET 1 - HA THR 80 Upper QD1 ILE 8 - H SER 9 3.96 12 0.04 0.14 + + ++ ++ + +*++ + peak 6107 H SER 9 - QD2 LEU 14 H SER 9 - QD1 ILE 56 H SER 9 - QG1 VAL 58 Upper QD1 ILE 8 - HA SER 9 4.19 19 0.34 0.53 ++++* ++++++++++++++ peak 8317 QD1 ILE 8 - HA ILE 76 HA SER 9 - QD2 LEU 14 QD2 LEU 14 - HA ILE 76 QD1 LEU 42 - HA ILE 76 Upper QD1 ILE 8 - HA LYS 13 4.50 20 0.40 0.60 ++++++++++*+++++++++ peak 8386 HA LYS 13 - QD2 LEU 14 QD2 LEU 14 - HA GLN 72 HA LYS 13 - HG13 ILE 56 HA LYS 13 - QD1 ILE 56 HA LYS 13 - QG1 VAL 58 HA GLN 72 - QG2 VAL 78 Upper QD1 ILE 8 - HG3 GLU 43 4.23 20 0.37 0.54 +++++++++*++++++++++ peak 10607 QD2 LEU 14 - HG3 GLU 43 QD1 LEU 42 - HG3 GLU 43 HG3 GLU 43 - QD1 ILE 52 Upper QD1 ILE 8 - H LEU 57 3.35 10 0.08 0.32 +* +++ ++ + + + peak 6934 HG13 ILE 56 - H LEU 57 QD1 ILE 56 - H LEU 57 H LEU 57 - QG1 VAL 58 Upper QD1 ILE 8 - H SER 59 3.51 15 0.07 0.16 +++ + ++* + +++++++ peak 6961 QG1 VAL 58 - H SER 59 Upper QD1 ILE 8 - HA SER 59 3.86 20 0.90 1.12 +++++++++++++++++++* peak 10726 QD2 LEU 14 - HA SER 59 HG13 ILE 56 - HA SER 59 QD1 ILE 56 - HA SER 59 QG1 VAL 58 - HA SER 59 HA SER 59 - QG2 VAL 78 Upper QD1 ILE 8 - HG2 GLU 63 3.68 12 0.04 0.14 ++++ + +++ + +*+ peak 9422 HG13 ILE 56 - HG2 GLU 63 QG1 VAL 58 - HG2 GLU 63 HA VAL 58 - H ASN 60 Upper QD1 ILE 8 - H LYS 66 3.96 14 0.22 0.59 ++++++ +++*+++ + peak 9638 QD2 LEU 14 - H LYS 66 QD2 LEU 27 - H LYS 66 HG13 ILE 56 - H LYS 66 QG1 VAL 58 - H LYS 66 QD1 LEU 64 - H LYS 66 HA GLU 16 - QG2 ILE 76 HA GLU 17 - QG2 ILE 76 HA LYS 20 - QG2 ILE 76 HB2 SER 49 - QG2 ILE 76 HB3 SER 59 - QG2 ILE 76 Upper H SER 9 - H THR 31 3.79 20 0.32 0.59 ++++++++++*+++++++++ peak 9638 H SER 9 - H VAL 32 H SER 9 - H VAL 54 H SER 9 - H ALA 67 H SER 9 - H ARG 79 HA GLU 16 - QG2 ILE 76 HA GLU 17 - QG2 ILE 76 HA LYS 20 - QG2 ILE 76 HB2 SER 49 - QG2 ILE 76 HB3 SER 59 - QG2 ILE 76 Upper H SER 9 - HE1 TYR 41 3.51 7 0.06 0.48 * + + ++++ peak 493 H SER 9 - HE2 TYR 41 HE ARG 30 - HE1 TYR 41 HE ARG 30 - HE2 TYR 41 HE1 TYR 41 - H LYS 66 HE2 TYR 41 - H LYS 66 HA LYS 13 - HB2 GLU 16 HB2 GLU 16 - HA GLN 72 HB2 GLU 23 - HA GLN 72 HA LYS 13 - HB3 LEU 38 HA LYS 13 - HB2 MET 74 HA GLN 72 - HB2 MET 74 Upper H SER 9 - HB2 LYS 66 3.42 17 0.10 0.17 *++ +++++++ +++ ++++ peak 2885 H LYS 20 - HB2 LYS 66 H GLU 28 - HB2 LYS 66 H LYS 66 - HB2 LYS 66 HB2 LYS 66 - H GLU 99 Upper HA SER 9 - HB2 ASN 10 4.99 7 0.09 0.39 + + ++*++ peak 8354 HB2 ASN 10 - HA GLU 48 HB2 ASN 10 - HA ILE 76 Upper HA SER 9 - HB3 ASN 10 5.27 13 0.27 0.46 + +++ ++++++* ++ peak 8352 HB3 ASN 10 - HA GLU 48 HB3 ASN 10 - HA ILE 76 Upper HA SER 9 - HA ASP 11 4.24 20 0.05 0.07 +++++++*++++++++++++ peak 10384 HA ILE 76 - HA ASP 77 Upper HA SER 9 - H LYS 47 5.02 17 0.27 0.41 +++* +++++ ++++++ ++ peak 12339 HA ALA 25 - H LYS 47 H LYS 47 - HA GLU 48 H LYS 47 - HA ILE 76 Upper HA SER 9 - QD1 ILE 76 3.88 15 0.04 0.12 + ++ ++* + + +++++++ peak 3450 HA ILE 76 - QD1 ILE 76 Upper HA SER 9 - HB2 ASP 77 4.97 9 0.26 0.77 + + +++ +* + + peak 9672 HA VAL 32 - HB2 ASP 77 HA MET 74 - HB2 ASP 77 HA ILE 76 - HB2 ASP 77 Upper HA SER 9 - HB3 ASP 77 4.42 17 0.25 1.15 +++++++++*+++ +++ + peak 10770 HA ALA 25 - HB3 ASP 65 HA VAL 32 - HB3 ASP 77 HB3 ASP 65 - HA ILE 76 HA ILE 76 - HB3 ASP 77 Upper HB2 SER 9 - HG LEU 14 4.75 8 0.03 0.15 + ++ +* +++ peak 10894 HB3 ASP 11 - HG LEU 14 QD1 LEU 38 - HB2 ASP 77 QD2 LEU 64 - HB2 ASP 77 Upper HB3 SER 9 - H GLU 43 3.95 20 0.34 0.60 ++++++++++++*+++++++ peak 6684 HA TYR 41 - H GLU 43 H GLU 43 - HA GLU 44 Upper HB3 SER 9 - HB3 LYS 47 3.83 13 0.12 0.32 ++ + ++++*++++ + peak 10279 HA TYR 41 - HB3 LYS 47 HA TYR 41 - HB2 LYS 94 HA GLU 44 - HB3 LYS 47 HA GLU 44 - HB2 LYS 94 HB2 LYS 94 - HB2 SER 97 HA ALA 67 - HB2 MET 74 HA ALA 71 - HB2 MET 74 Upper HB3 SER 9 - HB3 LYS 47 4.22 14 0.12 0.47 ++++ + +++* + ++++ peak 9213 HA TYR 41 - HB3 LYS 47 HA TYR 41 - HB2 LYS 94 HA GLU 44 - HB3 LYS 47 HA GLU 44 - HB2 LYS 94 HB2 LYS 94 - HB2 SER 97 HD2 LYS 53 - HD1 PHE 96 HD2 LYS 53 - HD2 PHE 96 Upper HB3 SER 9 - H ASP 65 4.23 19 0.27 0.51 +++++++++++++++++*+ peak 10080 HA TYR 41 - H ASP 65 HA GLU 63 - H ASP 65 H ASP 65 - HA ALA 89 QD1 LEU 55 - HB2 SER 97 HG2 ARG 81 - HB2 SER 97 Upper H ASN 10 - HG2 GLU 17 5.00 7 0.04 0.19 + + + + + * + peak 757 H ASP 11 - HG2 GLU 17 HG2 GLU 17 - H ALA 18 Upper HB2 ASN 10 - H ASP 11 3.54 16 0.10 0.23 ++ +++*+ +++ ++++++ peak 6138 Upper HB2 ASN 10 - HB2 ASP 11 4.93 17 0.18 0.34 + +++ ++++++*+++ +++ peak 8360 HB2 ASN 10 - HG3 GLU 17 HB2 ASN 10 - HG3 GLU 48 HB2 ASN 10 - HG3 GLN 50 Upper HB3 ASN 10 - HB2 ASP 11 5.41 20 0.16 0.41 +++++++++++++++*++++ peak 8358 HB3 ASN 10 - HG3 GLU 17 HB3 ASN 10 - HG3 GLU 48 HB3 ASN 10 - HG3 GLN 50 Upper HB3 ASN 10 - HG13 ILE 15 4.44 12 0.07 0.37 ++++++ ++ +++ * peak 10107 HB3 ASN 10 - QD1 ILE 15 HB3 ASN 10 - QG1 VAL 54 HB3 ASN 10 - QG2 ILE 93 HB3 ASN 10 - HG13 ILE 93 HB3 ASN 10 - QD1 ILE 93 QD1 LEU 3 - HA3 GLY 101 QD1 LEU 55 - HA3 GLY 101 Upper HD22 ASN 10 - HG2 GLU 43 4.31 20 0.25 0.36 +++++++++++++++++*++ peak 1983 HG2 GLU 35 - H GLU 44 HG3 GLU 35 - H GLU 44 HG2 GLU 43 - H GLU 44 HG2 GLU 43 - H GLU 48 Upper H ASP 11 - H LYS 12 3.83 20 0.16 0.22 +++++++*++++++++++++ peak 6145 H ASP 11 - H GLN 50 Upper H ASP 11 - HG13 ILE 15 4.76 11 0.11 0.30 + * ++ +++ ++ ++ peak 9093 HG13 ILE 15 - H ALA 18 QD1 LEU 2 - HE21 GLN 50 HG13 ILE 7 - HE21 GLN 50 HE21 GLN 50 - QG2 ILE 76 HE21 GLN 50 - QD1 LEU 103 Upper HA ASP 11 - QD1 LEU 14 4.08 8 0.05 0.17 + + ++* ++ + peak 10421 QD1 LEU 14 - HA THR 84 QG2 ILE 8 - HB3 GLU 16 HB3 GLU 16 - QG2 ILE 52 HB3 GLN 50 - QG2 ILE 52 QG2 ILE 52 - HB3 GLU 95 HB3 GLU 16 - QD1 ILE 76 Upper HB2 ASP 11 - QD1 LEU 14 4.19 12 0.07 0.37 + ++++ ++ *++++ peak 9589 QD1 LEU 14 - HG3 GLU 17 H GLU 44 - QE MET 74 H GLU 48 - QE MET 74 Upper HB2 ASP 11 - QD1 LEU 14 3.87 7 0.04 0.30 ++ * + +++ peak 10044 QD1 LEU 14 - HG3 GLU 17 QD2 LEU 55 - H PHE 96 QD2 LEU 55 - H GLU 104 Upper HB2 ASP 11 - H GLN 50 3.66 13 0.14 0.47 ++ + ++ +++ *+++ + peak 6816 HG3 GLU 17 - H GLN 50 HG3 GLU 48 - H GLN 50 H GLN 50 - HG3 GLN 50 H GLN 50 - HG2 GLN 72 H GLN 50 - HG3 GLU 99 Upper H LYS 12 - H LEU 14 3.42 12 0.04 0.10 + + ++ ++++ + +* + peak 732 H LEU 14 - H GLN 50 H LEU 14 - H VAL 58 HA GLU 16 - H LYS 20 HA GLU 17 - H LYS 20 Upper H LYS 12 - H LEU 14 4.24 20 0.46 0.53 ++++++++++*+++++++++ peak 10839 H LYS 12 - H ILE 76 HB3 MET 1 - HB3 GLN 72 QE MET 1 - HB3 GLN 72 HB2 LYS 47 - HB3 GLN 72 HB3 GLN 72 - QE MET 74 Upper H LYS 12 - QD1 ILE 15 2.99 11 0.05 0.24 + + *+ ++ + ++++ peak 695 QD1 ILE 15 - H GLN 50 HA MET 1 - HB3 GLU 35 HA LYS 13 - HB2 GLU 16 HB2 GLU 16 - HA GLU 23 HB2 GLU 16 - HB2 SER 59 HB2 GLU 16 - HA GLN 72 Upper H LYS 12 - HG3 GLU 17 4.37 8 0.19 1.36 + ++ *+ +++ peak 8880 H LYS 12 - HG3 GLU 48 HG3 GLU 17 - H GLN 50 HG3 GLU 48 - H GLN 50 H GLN 50 - HG3 GLU 99 HG3 GLU 17 - H ASN 51 HG3 GLU 48 - H ASN 51 HG3 GLU 48 - H VAL 58 HG3 GLU 37 - H TYR 41 H TYR 41 - HB VAL 83 Upper HA LYS 12 - HG3 LYS 12 3.48 19 0.35 0.68 +++++*+++++ ++++++++ peak 385 Upper HA LYS 12 - HD2 LYS 12 2.86 12 0.03 0.09 + + +++++ * ++++ peak 387 HA LYS 12 - HD3 LYS 12 HA LYS 12 - HG12 ILE 15 Upper HA LYS 12 - HA LYS 13 4.33 20 0.52 0.54 ++++++++++++++*+++++ peak 8392 HA LYS 13 - HA LEU 38 HA LYS 13 - HA LYS 40 HA ALA 67 - HA GLN 72 HA LYS 13 - HA LYS 94 HA GLN 72 - HA LYS 94 HA LYS 13 - HA2 GLY 100 HA LYS 13 - HA2 GLY 101 Upper HA LYS 12 - H ILE 15 3.03 20 0.30 0.43 +++++++++++*++++++++ peak 733 H ILE 15 - HA LEU 38 H ILE 15 - HA LYS 40 H ILE 15 - HB3 SER 49 H ILE 15 - HA ALA 67 H ILE 15 - HA ALA 71 H ILE 15 - HA2 GLY 100 H ILE 15 - HA2 GLY 101 HB3 LEU 14 - HA GLU 17 HA GLU 17 - HB2 ARG 19 HA GLU 16 - HB2 LYS 20 HA GLU 17 - HB2 LYS 20 HA GLU 17 - HG LEU 42 Upper HA LYS 12 - HA GLU 48 5.04 16 0.17 0.30 ++++ +++++ + ++*+ ++ peak 10619 HA LYS 40 - HA GLU 48 HA GLU 48 - HB3 SER 49 HA GLU 48 - HA LYS 94 Upper HA LYS 12 - HE2 LYS 66 6.13 13 0.18 0.50 + ++++ ++ + + *+++ peak 9510 HA LYS 12 - HE3 LYS 66 HA LYS 40 - HE3 LYS 68 HE3 LYS 66 - HA ALA 67 HE2 LYS 68 - HA LYS 94 HE3 LYS 68 - HA LYS 94 Upper HA LYS 12 - HB3 LEU 70 3.85 19 0.15 0.32 +++ +++++++++++*++++ peak 3141 HA LYS 40 - HB3 LEU 70 HA ALA 67 - HB3 LEU 70 HB3 LEU 70 - HA ALA 71 HB3 LEU 70 - HA LYS 94 Upper HA LYS 12 - QD2 LEU 70 3.82 10 0.06 0.21 ++ + ++ * ++ ++ peak 8620 HA GLU 35 - QD2 LEU 70 HA LEU 38 - QD2 LEU 70 HA LYS 40 - QD2 LEU 70 HA GLU 43 - QD2 LEU 70 HA ALA 67 - QD2 LEU 70 QD2 LEU 70 - HA LYS 94 QE MET 21 - H ASN 26 HB2 GLU 23 - H ASN 26 H ASN 26 - HB3 GLU 62 H ASN 26 - HB3 GLU 88 Upper HA LYS 12 - QG2 ILE 76 3.34 15 0.20 0.53 +++++++++++ ++ + * peak 10653 HA LYS 40 - QG2 ILE 76 HB3 SER 49 - QG2 ILE 76 HA ALA 67 - QG2 ILE 76 HA ALA 71 - QG2 ILE 76 QG2 ILE 76 - HA LYS 94 HG LEU 3 - QG1 VAL 54 HG2 ARG 30 - QG1 VAL 54 HB3 LEU 42 - QG1 VAL 54 Upper HB2 LYS 12 - HG13 ILE 15 3.25 16 0.33 0.75 ++*+++++++ + +++++ peak 9143 HB3 LYS 12 - HG13 ILE 15 HG13 ILE 15 - HB VAL 54 HD1 TYR 4 - QG2 ILE 52 HE1 TYR 4 - QG2 ILE 52 HE2 TYR 4 - QG2 ILE 52 HD2 TYR 4 - QG2 ILE 52 Upper HB2 LYS 12 - QD1 ILE 15 3.00 19 0.43 0.56 +++++++++*++ +++++++ peak 1780 HB3 LYS 12 - QD1 ILE 15 HB ILE 8 - HA LYS 40 HA LYS 40 - HG LEU 42 HA LYS 40 - HB2 GLU 43 HA LYS 40 - HB2 LYS 94 Upper HB2 LYS 12 - H LYS 39 3.31 19 0.19 0.28 ++*++++++++++++ ++++ peak 6605 HB3 LYS 12 - H LYS 39 H LYS 39 - HB3 LYS 39 H LYS 39 - HB3 LYS 68 Upper HB2 LYS 12 - H LYS 40 3.32 20 0.54 0.86 +++++++++++++++*++++ peak 6621 HB3 LYS 12 - H LYS 40 HB3 LYS 39 - H LYS 40 H LYS 40 - HB3 LYS 68 Upper HB2 LYS 12 - H LYS 40 3.80 12 0.14 0.38 ++ + ++ + ++*+ ++ peak 1701 HB3 LYS 12 - H LYS 40 HB3 LYS 39 - H LYS 40 Upper HB2 LYS 12 - HD2 LYS 66 3.73 20 0.45 0.50 ++++++++++++++*+++++ peak 2933 HB3 LYS 12 - HD2 LYS 66 HB3 LYS 66 - HD2 LYS 66 Upper HB2 LYS 12 - HA GLU 69 4.35 16 0.42 0.71 ++++++++* +++++++ peak 10793 HB3 LYS 12 - HA GLU 69 HB3 LYS 39 - HA GLU 69 HB3 LYS 66 - HA GLU 69 HB3 LYS 68 - HA GLU 69 Upper HG2 LYS 12 - H LYS 13 3.98 18 0.19 0.29 ++++ +++++*++++++++ peak 425 HG2 LYS 12 - H ILE 15 HG2 LYS 12 - H LYS 39 HG2 LYS 12 - H GLU 75 Upper HG2 LYS 12 - HA LYS 13 3.50 16 0.03 0.04 ++++ +++++ ++ +*+++ peak 485 HA LYS 13 - HG2 LYS 13 Upper HG3 LYS 12 - H LYS 13 4.15 17 0.28 0.43 ++++ ++++* ++++++++ peak 436 H LYS 13 - HG3 LYS 73 HG3 LYS 12 - H ILE 15 HG3 LYS 12 - H LYS 39 Upper HG3 LYS 12 - HB3 LYS 66 4.13 16 0.06 0.10 +++ +++++++ +* ++++ peak 2903 HB3 LYS 66 - HD2 LYS 66 Upper HG3 LYS 12 - H ALA 67 5.73 20 0.35 0.51 +++++++++*++++++++++ peak 7090 HD2 LYS 66 - H ALA 67 H ALA 67 - HD3 LYS 94 Upper HG3 LYS 12 - H MET 74 4.91 6 0.02 0.17 + * + + + + peak 7220 HG2 ARG 19 - H MET 74 HG2 LYS 24 - H MET 74 HD2 LYS 66 - H MET 74 HG3 LYS 73 - H MET 74 H MET 74 - HB2 ARG 79 Upper HG3 LYS 12 - HA ASP 87 3.88 9 0.07 0.27 + + +++ + + *+ peak 7501 HG2 ARG 19 - HA ASP 87 HG2 LYS 24 - HA ASP 87 HA ASP 87 - HG3 LYS 90 HA ASP 87 - HD3 LYS 94 HB THR 80 - H LYS 94 HA GLU 88 - H LYS 94 HA LYS 90 - H LYS 94 Upper HG3 LYS 12 - HA ASP 87 3.93 6 0.06 0.36 ++ ++ + * peak 9258 HG2 ARG 19 - HA ASP 87 HG2 LYS 24 - HA ASP 87 HA ASP 87 - HG3 LYS 90 HA ASP 87 - HD3 LYS 94 HA ILE 52 - QD1 LEU 55 QD1 LEU 55 - HA THR 80 Upper HG3 LYS 12 - H LYS 90 3.44 14 0.21 0.86 ++* ++ ++ +++++ ++ peak 7420 HG2 LYS 24 - H LYS 90 H LYS 90 - HG3 LYS 90 H LYS 90 - HD3 LYS 94 Upper HG3 LYS 12 - H ARG 91 4.22 6 0.14 0.66 + +*+ ++ peak 7436 HG2 ARG 19 - H ARG 91 HG2 LYS 24 - H ARG 91 HG LEU 27 - H ARG 91 HB2 ARG 30 - H ARG 91 HD2 LYS 66 - H ARG 91 HD3 LYS 82 - H ARG 91 HG3 LYS 90 - H ARG 91 H ARG 91 - HD3 LYS 94 Upper HD2 LYS 12 - H LYS 13 3.48 16 0.18 0.27 ++*+ + ++++++ +++++ peak 458 HD3 LYS 12 - H LYS 13 H LYS 13 - HD2 LYS 13 H LYS 13 - HD3 LYS 13 Upper HD2 LYS 12 - HA LYS 13 3.57 18 0.33 0.50 ++++ ++++++*+++++++ peak 488 HD3 LYS 12 - HA LYS 13 HA LYS 13 - HD2 LYS 13 HA LYS 13 - HD3 LYS 13 Upper HD2 LYS 12 - HG3 LYS 13 2.41 11 0.04 0.08 * ++ ++ +++++ + peak 535 HG3 LYS 13 - HD2 LYS 13 HG3 LYS 13 - HD3 LYS 13 Upper HD2 LYS 12 - HG13 ILE 15 3.51 19 0.14 0.45 *+++++++++ +++++++++ peak 8003 HD3 LYS 12 - HG13 ILE 15 HD2 LYS 12 - QD1 ILE 15 HD3 LYS 12 - QD1 ILE 15 HA MET 1 - HA ASN 51 Upper HD3 LYS 12 - H LYS 66 3.82 15 0.25 0.55 ++ ++++++ *++ ++++ peak 7074 H LYS 66 - HD3 LYS 66 H LYS 66 - HG LEU 70 H LYS 66 - HG2 PRO 86 Upper HE3 LYS 12 - HA LYS 13 4.67 6 0.02 0.20 + ++ +* + peak 490 HA LYS 13 - HE2 LYS 13 HA LYS 13 - HE3 LYS 13 HA LYS 13 - HE2 LYS 24 HA LYS 13 - HE3 LYS 24 Upper HE3 LYS 12 - HG3 GLU 17 3.73 7 0.05 0.27 + + + + * + + peak 10560 HE2 LYS 13 - HG3 GLU 17 HE3 LYS 13 - HG3 GLU 17 HB3 PHE 45 - HG3 GLU 48 HG3 GLU 17 - HB2 ASN 51 HG3 GLU 48 - HB2 ASN 51 HG3 GLU 17 - HE2 LYS 73 HG3 GLU 17 - HE3 LYS 73 HG3 GLU 17 - HE3 LYS 90 HA ASP 36 - HB2 LYS 39 HB2 LYS 39 - HA LEU 103 Upper HE3 LYS 12 - HG3 GLU 17 4.06 9 0.06 0.34 + ++* + + ++ + peak 10746 HE2 LYS 13 - HG3 GLU 17 HE3 LYS 13 - HG3 GLU 17 HB3 PHE 45 - HG3 GLU 48 HG3 GLU 17 - HB2 ASN 51 HG3 GLU 48 - HB2 ASN 51 HG3 GLU 17 - HE2 LYS 73 HG3 GLU 17 - HE3 LYS 73 HG3 GLU 17 - HE3 LYS 90 QD2 LEU 2 - HB3 GLU 63 QG2 ILE 7 - HB3 GLU 63 QD2 LEU 57 - HB3 GLU 63 HB3 GLU 63 - QD1 LEU 70 HB3 GLU 63 - QD2 LEU 70 HB3 GLU 63 - QD1 ILE 76 Upper HE3 LYS 12 - HB2 LEU 42 4.87 9 0.05 0.20 + + + +++ * + + peak 9217 HE2 LYS 13 - HB2 LEU 42 HE3 LYS 13 - HB2 LEU 42 HG2 MET 21 - HB2 LEU 42 HB2 LEU 42 - HB3 PHE 45 HB2 LEU 42 - HE3 LYS 90 HE2 LYS 53 - HZ PHE 96 HE3 LYS 53 - HZ PHE 96 Upper H LYS 13 - HA LEU 14 5.22 20 0.22 0.25 ++++++++++++++*+++++ peak 8389 H LYS 13 - HB THR 80 H LYS 13 - HA GLU 88 H LYS 13 - HA LYS 90 Upper H LYS 13 - QD1 LEU 14 4.02 20 0.32 0.37 ++++++++++*+++++++++ peak 625 QD1 LEU 14 - H ILE 15 Upper H LYS 13 - HG13 ILE 15 3.83 18 0.13 0.41 +++ + ++++++*+++++++ peak 10654 H LYS 13 - QD1 ILE 15 HG12 ILE 52 - QG1 VAL 54 QG1 VAL 54 - HG2 LYS 82 Upper H LYS 13 - HG13 ILE 15 3.81 19 0.10 0.26 +++++ ++++++*+++++++ peak 669 H ILE 15 - HG13 ILE 15 Upper H LYS 13 - HG13 ILE 15 3.70 14 0.15 0.28 ++*++ ++ ++ +++ + + peak 4196 H LYS 13 - QD1 ILE 15 HA GLU 35 - HB3 LYS 94 HA GLU 43 - HB3 LYS 94 HA ALA 89 - HB3 LYS 94 HA ARG 91 - HB3 LYS 94 HB3 LYS 94 - HA3 GLY 101 Upper H LYS 13 - H GLU 16 2.40 20 0.07 0.11 *+++++++++++++++++++ peak 6241 H ILE 15 - H GLU 16 H GLU 16 - H GLU 17 H GLU 16 - H SER 102 Upper H LYS 13 - HG2 GLU 16 3.93 19 0.09 0.14 +++*+++ ++++++++++++ peak 717 H ILE 15 - HG2 GLU 16 HG2 GLU 16 - H GLU 17 H GLU 17 - HG2 GLU 48 H GLU 17 - HG3 GLU 69 HG2 GLU 16 - H GLU 75 HG3 GLU 69 - H GLU 75 HG2 GLU 16 - H SER 102 Upper H LYS 13 - H ARG 19 3.83 20 0.16 0.28 ++++*+++++++++++++++ peak 8815 H ILE 15 - H ARG 19 H GLU 17 - H ARG 19 H ARG 19 - H SER 102 HG3 GLU 37 - HE1 TYR 41 HG3 GLU 37 - HE2 TYR 41 Upper H LYS 13 - H ARG 19 4.04 20 0.11 0.25 ++++++++++++*+++++++ peak 10071 H ILE 15 - H ARG 19 H GLU 17 - H ARG 19 H ARG 19 - H SER 102 HD2 ARG 19 - HA SER 97 HD3 ARG 19 - HA SER 97 Upper H LYS 13 - H GLU 37 4.47 10 0.06 0.23 ++++ +++ + *+ peak 9132 H GLU 37 - H LYS 39 H GLU 37 - H GLU 75 HA GLU 48 - HB2 ASN 51 HB2 ASN 51 - HA ILE 76 HB2 ASN 51 - HB THR 84 Upper H LYS 13 - HG3 LYS 39 4.00 7 0.07 0.29 ++ + + + * + peak 1713 H ILE 15 - HG3 LYS 39 H LYS 39 - HG3 LYS 39 Upper H LYS 13 - HD3 LYS 39 4.50 7 0.03 0.24 + + * ++ + + peak 1735 H LYS 39 - HD3 LYS 39 Upper HA LYS 13 - HG3 LYS 13 3.32 20 0.78 0.83 +++++++*++++++++++++ peak 486 HA LYS 13 - HG3 LYS 24 HA LYS 13 - HG2 LYS 47 Upper HB2 LYS 13 - QD1 LEU 14 5.28 20 0.70 0.77 +++++++++++++*++++++ peak 8387 HB3 LYS 13 - QD1 LEU 14 HB2 LYS 13 - QD1 LEU 42 Upper HB2 LYS 13 - H GLU 16 3.88 8 0.04 0.24 + + + ++ * + + peak 10031 HB3 LYS 13 - H GLU 16 HB3 LEU 14 - H GLU 16 HB3 LEU 14 - H ARG 46 H GLU 16 - HB2 ARG 19 H GLU 16 - HB2 LYS 20 H GLU 16 - HB2 GLU 43 QG2 ILE 93 - HD1 PHE 96 QG2 ILE 93 - HD2 PHE 96 Upper HB2 LYS 13 - H GLU 16 3.89 20 0.24 0.51 +++++++++++++*++++++ peak 9936 HB3 LYS 13 - H GLU 16 HB3 LEU 14 - H GLU 16 HB3 LEU 14 - H ARG 46 H GLU 16 - HB2 ARG 19 H GLU 16 - HB2 LYS 20 H GLU 16 - HB2 GLU 43 HD21 ASN 60 - QB ALA 89 QB ALA 89 - HD1 TRP 92 Upper HB2 LYS 13 - H LYS 47 2.89 8 0.25 0.69 *+ + +++ + + peak 6771 HB3 LYS 13 - H LYS 47 H LYS 47 - HB3 LYS 47 H LYS 47 - HB2 LYS 94 Upper HB2 LYS 13 - QG2 ILE 76 3.92 10 0.05 0.20 + ++ +* + ++ ++ peak 10085 HB3 LYS 13 - QG2 ILE 76 HB2 GLU 17 - QG2 ILE 76 HB3 ARG 19 - QG2 ILE 76 HB3 LYS 20 - QG2 ILE 76 HB VAL 32 - QG2 ILE 76 HB2 LYS 33 - QG2 ILE 76 HB3 LYS 33 - QG2 ILE 76 HB3 LYS 47 - QG2 ILE 76 QG2 ILE 76 - HB2 LYS 94 QD1 LEU 3 - H GLY 100 Upper HB2 LYS 13 - QG2 ILE 76 3.95 9 0.04 0.19 + ++ ++ + +* + peak 8168 HB3 LYS 13 - QG2 ILE 76 HB2 GLU 17 - QG2 ILE 76 HB3 ARG 19 - QG2 ILE 76 HB3 LYS 20 - QG2 ILE 76 HB VAL 32 - QG2 ILE 76 HB2 LYS 33 - QG2 ILE 76 HB3 LYS 33 - QG2 ILE 76 HB3 LYS 47 - QG2 ILE 76 QG2 ILE 76 - HB2 LYS 94 QG2 VAL 5 - H LYS 20 QG2 VAL 5 - H GLU 28 QG2 VAL 5 - HE ARG 30 QG2 VAL 5 - H LYS 66 Upper HG3 LYS 13 - H LYS 47 3.74 10 0.13 0.35 +* + +++++ + + peak 6772 H LYS 47 - HG2 LYS 47 H LYS 47 - HB2 ARG 91 Upper HG3 LYS 13 - H GLU 48 4.73 10 0.24 0.55 ++ + +++++ * + peak 6784 HG2 LYS 47 - H GLU 48 H GLU 48 - HG2 LYS 73 H GLU 48 - HB2 ARG 91 Upper HG3 LYS 13 - HA LYS 73 3.28 8 0.02 0.07 + + + *++++ peak 3231 HG3 LYS 24 - HA LYS 73 HG2 LYS 47 - HA LYS 73 HA LYS 73 - HG2 LYS 73 Upper HD2 LYS 13 - HA GLU 88 2.99 6 0.06 0.59 + + *++ + peak 10877 HD2 LYS 24 - HA GLU 88 HD3 LYS 24 - HA GLU 88 HD2 LYS 47 - HA GLU 88 HD3 LYS 47 - HA GLU 88 HG2 PRO 86 - HA GLU 88 HA GLU 88 - HD3 LYS 90 HA GLU 88 - HB3 ARG 91 QD2 LEU 6 - QG2 ILE 76 QD1 ILE 8 - QG2 ILE 76 QD1 LEU 14 - QG2 ILE 76 QD2 LEU 14 - QG2 ILE 76 QD1 LEU 42 - QG2 ILE 76 QD1 ILE 52 - QG2 ILE 76 QD1 ILE 56 - QG2 ILE 76 Upper H LEU 14 - QD1 LEU 14 3.97 20 0.37 0.42 +++++*++++++++++++++ peak 6201 H LEU 14 - QG2 VAL 58 Upper H LEU 14 - QD1 LEU 14 4.04 20 0.30 0.35 +++++*++++++++++++++ peak 618 QD1 LEU 14 - H ILE 76 Upper H LEU 14 - HG2 GLU 75 4.28 20 0.20 0.24 +++++*++++++++++++++ peak 3401 H LEU 14 - HG3 GLU 75 HG2 GLU 75 - H ILE 76 HG3 GLU 75 - H ILE 76 HG2 GLU 75 - H GLU 88 HG3 GLU 75 - H GLU 88 Upper HA LEU 14 - QD1 LEU 14 3.53 19 0.10 0.19 +++++ ++++++*+++++++ peak 588 HA LEU 14 - QG2 VAL 58 Upper HA LEU 14 - QD1 LEU 14 3.42 19 0.20 0.30 +++++ ++++++*+++++++ peak 619 QD1 LEU 14 - HB THR 80 Upper HA LEU 14 - QD2 LEU 14 3.49 20 0.26 0.53 +++++*++++++++++++++ peak 589 HA LEU 14 - HG13 ILE 56 HA LEU 14 - QD1 ILE 56 Upper HA LEU 14 - HG LEU 70 3.72 8 0.10 0.37 + + ++ + + + * peak 8022 HA LEU 14 - HG2 PRO 86 HB THR 80 - HG2 PRO 86 HG2 PRO 86 - HA GLU 88 HG2 PRO 86 - HA LYS 90 HG3 MET 1 - QD2 LEU 3 Upper HA LEU 14 - H THR 80 3.45 11 0.04 0.15 ++++++ ++*+ + peak 7306 H THR 80 - HB THR 80 Upper HA LEU 14 - HG3 PRO 86 3.28 12 0.06 0.28 ++ ++++++ + +* + peak 9601 HB THR 80 - HG3 PRO 86 HG3 PRO 86 - HA GLU 88 HG3 PRO 86 - HA LYS 90 HB2 LYS 39 - QE MET 74 HG3 ARG 46 - QE MET 74 HB3 GLU 63 - QE MET 74 Upper HA LEU 14 - HG3 PRO 86 4.01 10 0.06 0.24 * ++ ++ + + +++ peak 8646 HB THR 80 - HG3 PRO 86 HG3 PRO 86 - HA GLU 88 HG3 PRO 86 - HA LYS 90 QD2 LEU 27 - HE1 PHE 96 QD2 LEU 27 - HE2 PHE 96 Upper HA LEU 14 - H ASP 87 4.24 17 0.15 0.37 ++* +++++ ++++++ +++ peak 8470 HB THR 80 - H ASP 87 H ASP 87 - HA LYS 90 QD1 ILE 7 - HG13 ILE 15 Upper HB3 LEU 14 - HB ILE 15 4.72 20 0.25 0.41 +++++++++++++++++*++ peak 8430 HB3 LEU 14 - HD2 LYS 33 HB3 LEU 14 - HD3 LYS 33 HB3 LEU 14 - HB3 LEU 70 HB3 LEU 14 - HD2 LYS 90 Upper HB3 LEU 14 - H GLU 44 3.51 12 0.06 0.16 + ++ ++ + + ++*+ + peak 6706 HG LEU 42 - H GLU 44 HB2 GLU 43 - H GLU 44 H GLU 44 - HB3 LYS 47 H GLU 44 - HB2 LYS 94 Upper HB3 LEU 14 - QD1 LEU 70 3.88 12 0.12 0.30 +++ + *+++ +++ + peak 10663 QD2 LEU 38 - HG LEU 42 QD2 LEU 38 - HB2 GLU 43 H LEU 6 - QG1 VAL 54 H LYS 33 - QG1 VAL 54 Upper HB3 LEU 14 - HD2 PRO 86 4.43 6 0.02 0.13 + + + + + * peak 8751 HB3 LEU 14 - HD3 PRO 86 QG1 VAL 5 - H THR 34 H THR 34 - HG13 ILE 56 H THR 34 - QD1 ILE 56 H THR 34 - QG2 VAL 78 Upper HG LEU 14 - H ILE 56 5.09 9 0.08 0.35 + + ++ + *+ + + peak 10503 H ILE 56 - QB ALA 67 H ILE 56 - HB2 LYS 82 H GLU 23 - QD1 LEU 29 QD1 LEU 29 - H LEU 103 Upper HG LEU 14 - H SER 59 4.71 20 0.31 0.46 +++++++++++++++*++++ peak 9690 H SER 59 - HB2 LYS 82 HD3 LYS 39 - HA VAL 78 HG2 LYS 68 - HA VAL 78 HB ILE 76 - HA VAL 78 Upper HG LEU 14 - H ASN 60 3.23 14 0.22 0.63 ++ + + ++++++++* + peak 10156 HG2 LYS 39 - H ASN 60 H ASN 60 - HB2 LYS 82 QE MET 21 - QG1 VAL 32 QG1 VAL 32 - HG3 GLU 37 QG1 VAL 32 - HB3 GLU 62 Upper HG LEU 14 - HB3 GLU 63 3.89 15 0.18 0.59 +++ ++++ + + *+++ ++ peak 9066 QB ALA 25 - HB3 GLU 63 HG2 LYS 39 - HB3 GLU 63 HB3 GLU 63 - QB ALA 67 HB3 GLU 63 - HB2 LYS 82 HB3 GLU 63 - QB ALA 89 QD1 LEU 6 - HB2 SER 49 QG2 ILE 8 - HB2 SER 49 QD1 ILE 15 - HB2 SER 49 QD2 LEU 42 - HB2 SER 49 HB2 SER 49 - QG2 ILE 52 Upper HG LEU 14 - HA LYS 66 4.70 20 0.24 0.27 ++++++++++++*+++++++ peak 10611 HB3 LEU 27 - HA LYS 66 HA LYS 66 - QB ALA 67 HA LYS 66 - HG3 LYS 68 Upper HG LEU 14 - HB2 GLU 69 4.57 17 0.29 0.85 ++* ++ ++++++++++++ peak 10801 HG LEU 14 - HB3 GLU 69 HG2 LYS 39 - HB2 GLU 69 HG2 LYS 39 - HB3 GLU 69 HG3 LYS 40 - HB2 GLU 69 HG3 LYS 40 - HB3 GLU 69 QB ALA 67 - HB2 GLU 69 QB ALA 67 - HB3 GLU 69 HG3 LYS 68 - HB2 GLU 69 HG3 LYS 68 - HB3 GLU 69 Upper HG LEU 14 - HB THR 80 3.80 16 0.23 0.54 *+ +++++++ + ++++++ peak 10892 QB ALA 67 - HB THR 80 HG3 LYS 68 - HB THR 80 HB THR 80 - HB2 LYS 82 HG2 ARG 46 - HB2 ASP 77 HB2 LYS 53 - HB2 ASP 77 HB2 LYS 68 - HB2 ASP 77 Upper HG LEU 14 - H ARG 81 5.22 20 0.27 0.58 ++*+++++++++++++++++ peak 9738 HB3 LEU 27 - H ARG 81 H ARG 81 - HB2 LYS 82 Upper HG LEU 14 - H SER 85 3.35 18 0.30 0.85 ++++++++ +++++*+++ + peak 8752 QB ALA 25 - H SER 85 H SER 85 - QB ALA 89 H THR 34 - HB2 GLU 37 Upper HG LEU 14 - HD2 PRO 86 4.65 7 0.01 0.06 + + + + * + + peak 9975 HG LEU 14 - HD3 PRO 86 QB ALA 25 - HD2 PRO 86 QB ALA 25 - HD3 PRO 86 HD2 PRO 86 - QB ALA 89 HD3 PRO 86 - QB ALA 89 HB ILE 15 - HE1 TRP 92 HD2 LYS 33 - HE1 TRP 92 HD3 LYS 33 - HE1 TRP 92 HB3 LEU 70 - HE1 TRP 92 HD2 ARG 81 - HE1 TRP 92 Upper HG LEU 14 - HD2 PRO 86 4.79 20 0.62 0.76 ++*+++++++++++++++++ peak 8428 HG LEU 14 - HD3 PRO 86 HB3 TYR 4 - HA LEU 14 Upper QD1 LEU 14 - H ILE 15 3.88 20 0.51 0.57 ++++++++++*+++++++++ peak 6214 H ILE 15 - QD1 LEU 42 H ILE 15 - QG2 VAL 58 Upper QD1 LEU 14 - H LYS 82 3.36 18 0.16 0.30 ++++ +++++++++ ++++* peak 7453 QG2 VAL 58 - H LYS 82 H LYS 90 - H TRP 92 H TRP 92 - H SER 102 Upper QD1 LEU 14 - HD2 PRO 86 3.63 11 0.07 0.29 ++ *+ ++ + +++ + peak 9802 QD1 LEU 14 - HD3 PRO 86 QD1 LEU 6 - H VAL 83 QD1 ILE 15 - H VAL 83 QD1 LEU 27 - H VAL 83 QD2 LEU 42 - H VAL 83 QG1 VAL 54 - H VAL 83 H VAL 83 - QD1 ILE 93 Upper QD2 LEU 14 - HE22 GLN 72 4.09 12 0.13 0.76 +++ + +* + ++ + ++ peak 10436 QD2 LEU 14 - H ALA 89 QD2 LEU 14 - HE3 TRP 92 HB2 LEU 2 - HG2 GLU 17 HD2 LYS 12 - HG2 GLU 17 HD3 LYS 12 - HG2 GLU 17 HD2 LYS 13 - HG2 GLU 17 HD3 LYS 13 - HG2 GLU 17 HG12 ILE 15 - HG2 GLU 17 HG2 GLU 17 - HD3 LYS 90 Upper QD2 LEU 14 - HE22 GLN 72 4.88 6 0.03 0.19 ++ + +* + peak 10620 QD2 LEU 14 - H ALA 89 QD2 LEU 14 - HE3 TRP 92 HA LYS 33 - HB2 GLU 48 HA PHE 45 - HB2 GLU 48 Upper H ILE 15 - H GLU 16 2.54 20 0.28 0.36 *+++++++++++++++++++ peak 6222 H ILE 15 - H ARG 46 H ILE 15 - H GLY 101 Upper H ILE 15 - H GLY 101 2.50 10 0.04 0.18 *++ + + + +++ + peak 7634 H GLU 17 - H GLY 101 H GLY 101 - H SER 102 Upper HA ILE 15 - QD1 ILE 15 3.61 7 0.02 0.11 +* + ++ + + peak 678 Upper HA ILE 15 - H ARG 19 3.49 16 0.20 0.58 + ++*++++++ ++++++ peak 10242 HA ILE 15 - H ASP 77 HD2 LYS 39 - QD2 LEU 64 HD3 LYS 39 - QD2 LEU 64 QD2 LEU 64 - HG2 LYS 68 QD2 LEU 64 - HD2 LYS 68 QD2 LEU 64 - HD3 LYS 68 QD2 LEU 64 - HD2 LYS 94 Upper HB ILE 15 - H ARG 81 4.14 20 0.40 0.50 +++++++++++*++++++++ peak 7319 H ARG 81 - HD2 ARG 81 Upper HB ILE 15 - HA LYS 90 3.98 20 0.65 0.97 ++++++++++++*+++++++ peak 3917 HA LYS 90 - HD2 LYS 90 Upper HB ILE 15 - HB2 LYS 90 3.22 8 0.06 0.24 + + *+ + + ++ peak 3930 HB2 LYS 90 - HD2 LYS 90 Upper HB ILE 15 - HB3 LYS 90 2.99 15 0.79 1.18 +++ + *+++++++ +++ peak 3941 HB2 GLU 28 - HB3 LYS 90 HB2 LYS 68 - HD2 LYS 90 HB3 LYS 90 - HD2 LYS 90 Upper HB ILE 15 - H ARG 91 3.77 14 0.42 1.02 + + ++++++ *++ + ++ peak 7437 HB2 GLU 28 - H ARG 91 HD2 LYS 90 - H ARG 91 Upper QG2 ILE 15 - H ALA 71 3.77 12 0.04 0.10 ++ * + ++ + +++++ peak 7163 QD1 LEU 70 - H ALA 71 QD2 LEU 70 - H ALA 71 H ALA 71 - QD1 ILE 76 Upper QG2 ILE 15 - QB ALA 71 3.49 17 0.18 0.48 ++++ ++++ *++++++ ++ peak 12176 QD1 LEU 70 - QB ALA 71 QD2 LEU 70 - QB ALA 71 QB ALA 71 - QD1 ILE 76 Upper QG2 ILE 15 - HG2 ARG 81 3.31 13 0.13 0.35 +++ + + ++ *+++ ++ peak 6341 QG2 VAL 32 - HG2 ARG 81 QD2 LEU 38 - HG2 ARG 81 QD1 LEU 57 - HG2 ARG 81 QD1 LEU 70 - HG2 ARG 81 QD2 LEU 70 - HG2 ARG 81 HG2 ARG 81 - QD2 LEU 103 HA ALA 18 - H ALA 22 Upper HG12 ILE 15 - H GLU 16 4.19 20 0.43 0.54 *+++++++++++++++++++ peak 668 H GLU 16 - HD3 LYS 90 HG12 ILE 15 - H ARG 46 HG12 ILE 15 - H GLY 101 Upper HG12 ILE 15 - HB3 SER 49 4.75 16 0.70 1.08 ++++ +++++ * ++++ ++ peak 9812 HG3 LYS 20 - HB3 SER 49 HB3 LYS 40 - HB3 SER 49 HB3 SER 49 - HB ILE 52 HG3 LYS 20 - QG1 VAL 83 HD2 LYS 47 - QG1 VAL 83 HD3 LYS 47 - QG1 VAL 83 HB ILE 52 - QG1 VAL 83 QG1 VAL 83 - HG2 PRO 86 QG1 VAL 83 - HD3 LYS 90 QG1 VAL 83 - HB3 ARG 91 Upper HG12 ILE 15 - H LYS 90 3.65 7 0.12 0.73 + + + + + +* peak 3979 H LYS 90 - HD3 LYS 90 HD3 LYS 90 - H SER 102 Upper HG12 ILE 15 - HA LYS 90 4.22 14 0.18 0.50 *+++++ + +++ ++++ peak 3918 HG2 PRO 86 - HA LYS 90 HA LYS 90 - HD3 LYS 90 HA LYS 90 - HB3 ARG 91 Upper HG12 ILE 15 - HB3 LYS 90 2.99 15 0.25 0.86 ++++*++++++ + + ++ peak 3942 HB3 LYS 53 - HB3 LYS 90 HB3 LYS 90 - HD3 LYS 90 Upper HG13 ILE 15 - H GLU 16 3.80 16 0.10 0.23 +++++ ++++ +* ++ +++ peak 6235 QD1 ILE 15 - H GLU 16 Upper HG13 ILE 15 - H GLU 16 5.00 20 0.21 0.30 +++++*++++++++++++++ peak 676 HG13 ILE 15 - H ARG 46 HG13 ILE 15 - H GLY 101 Upper HG13 ILE 15 - H ALA 18 3.56 12 0.12 0.44 ++ *+ +++ +++ ++ peak 8860 QD1 ILE 15 - H ALA 18 H ALA 18 - QG2 ILE 93 H ALA 18 - QD1 ILE 93 HA LEU 38 - HD1 TYR 41 HA LEU 38 - HD2 TYR 41 Upper HG13 ILE 15 - H ALA 18 2.89 20 0.63 0.75 ++++++++++++*+++++++ peak 12032 QD1 ILE 15 - H ALA 18 H ALA 18 - QG2 ILE 93 H ALA 18 - QD1 ILE 93 QD1 LEU 14 - QB ALA 18 QB ALA 18 - QD1 LEU 42 Upper HG13 ILE 15 - HA ARG 19 3.42 11 0.06 0.14 + + +++ + + ++ *+ peak 10829 QD1 ILE 15 - HA ARG 19 HA ARG 19 - QD1 LEU 27 QD1 LEU 27 - HA LYS 68 QD2 LEU 42 - HA LYS 68 HA ARG 19 - QG1 VAL 54 QG1 VAL 54 - HA LYS 68 QD1 LEU 64 - HA LYS 68 HA ARG 19 - QG1 VAL 78 HA LYS 68 - QG1 VAL 78 HA ARG 19 - QG2 ILE 93 HA LYS 68 - QG2 ILE 93 HA ARG 19 - HG13 ILE 93 HA ARG 19 - QD1 ILE 93 H LEU 14 - HA ALA 71 H LYS 24 - HA ALA 71 HA ALA 71 - H ILE 76 Upper HG13 ILE 15 - HA ARG 19 3.48 13 0.07 0.25 + +++*++ + ++ +++ peak 10423 QD1 ILE 15 - HA ARG 19 HA ARG 19 - QD1 LEU 27 QD1 LEU 27 - HA LYS 68 QD2 LEU 42 - HA LYS 68 HA ARG 19 - QG1 VAL 54 QG1 VAL 54 - HA LYS 68 QD1 LEU 64 - HA LYS 68 HA ARG 19 - QG1 VAL 78 HA LYS 68 - QG1 VAL 78 HA ARG 19 - QG2 ILE 93 HA LYS 68 - QG2 ILE 93 HA ARG 19 - HG13 ILE 93 HA ARG 19 - QD1 ILE 93 HA GLU 16 - QD1 LEU 29 HA GLU 17 - QD1 LEU 29 HA LYS 20 - QD1 LEU 29 HA GLU 16 - QD2 LEU 29 HA GLU 17 - QD2 LEU 29 HA LYS 20 - QD2 LEU 29 HA GLU 16 - QG2 VAL 54 HA LYS 20 - QG2 VAL 54 Upper HG13 ILE 15 - HB2 ASN 26 5.45 19 0.20 0.28 ++++++++ +++++*+++++ peak 8629 QD1 ILE 15 - HB2 ASN 26 HB2 ASN 26 - QD1 LEU 27 HB2 ASN 26 - QD1 LEU 64 HB2 ASN 26 - HG3 ARG 81 HB2 ASN 26 - QG2 ILE 93 HB2 ASN 26 - HG13 ILE 93 Upper HG13 ILE 15 - HG2 LYS 82 3.87 19 0.31 0.51 ++++++++++++++ +*+++ peak 9761 QD1 ILE 15 - HG2 LYS 82 QD2 LEU 27 - HG2 LYS 82 QD1 LEU 64 - HG2 LYS 82 HG3 ARG 81 - HG2 LYS 82 Upper HG13 ILE 15 - H ARG 91 3.55 20 0.26 0.41 +++++++++++++++*++++ peak 6372 QD1 ILE 15 - H ARG 91 QD1 LEU 27 - H ARG 91 QD2 LEU 42 - H ARG 91 QG2 ILE 52 - H ARG 91 H ARG 91 - QD1 ILE 93 HA GLU 16 - H LYS 24 HA GLU 16 - H GLU 88 HA GLU 17 - H LYS 24 HA LYS 20 - H LYS 24 HA LYS 20 - H GLU 88 Upper HG13 ILE 15 - HE1 TRP 92 5.87 20 0.52 0.81 +++++++++*++++++++++ peak 10001 QD1 ILE 15 - HE1 TRP 92 QD2 LEU 42 - HE1 TRP 92 QD1 LEU 64 - HE1 TRP 92 HG3 ARG 81 - HE1 TRP 92 HE1 TRP 92 - QG2 ILE 93 HE1 TRP 92 - HG13 ILE 93 Upper H GLU 16 - HB2 GLU 16 3.12 10 0.24 0.49 + ++ ++ + +++* peak 6237 H GLU 16 - HB2 GLU 23 H GLU 16 - HB3 GLU 35 H GLU 16 - HB3 LEU 38 H GLU 16 - HB3 GLU 43 Upper H GLU 16 - HB2 GLU 16 3.36 10 0.12 0.25 + ++ ++ + +++* peak 696 H GLU 16 - HB3 GLU 35 HB2 GLU 16 - H ARG 46 HB2 GLU 16 - H GLY 101 Upper H GLU 16 - HB3 GLU 16 2.99 10 0.29 0.61 +++ + + *++ + + peak 6238 H GLU 16 - HB3 GLU 23 Upper H GLU 16 - HB3 GLU 16 3.36 10 0.11 0.24 +++ + + *++ + + peak 704 HB3 GLU 16 - H ARG 46 HB3 GLU 16 - H GLY 101 Upper H GLU 16 - H GLU 17 2.51 20 0.25 0.35 +++++++++++++*++++++ peak 6248 H GLU 17 - H ARG 46 H GLU 17 - H GLY 101 Upper H GLU 16 - HB2 ARG 46 3.28 10 0.10 0.31 +++ + *++ ++ + peak 2067 H ARG 46 - HB2 ARG 46 HB2 ARG 46 - H GLY 101 Upper H GLU 16 - HB3 ARG 46 3.22 10 0.16 0.38 ++ * + + +++++ peak 2077 H ARG 46 - HB3 ARG 46 HB3 ARG 46 - H GLY 101 Upper HA GLU 16 - HG3 GLU 16 3.66 11 0.02 0.07 +++ ++++ +++* peak 719 HG3 GLU 16 - HA GLU 17 Upper HA GLU 16 - HG3 GLU 16 3.59 19 0.12 0.26 +++++++*++++ +++++++ peak 690 HA GLU 16 - HB2 GLU 48 Upper HA GLU 16 - HA ARG 19 4.14 20 0.21 0.33 +++++++++++++*++++++ peak 11086 HA ARG 19 - HA LYS 20 HA GLU 16 - HA ALA 22 HA LYS 20 - HA ALA 22 HA LYS 20 - HA LYS 68 HA LYS 20 - HA SER 97 Upper HA GLU 16 - HG2 ARG 19 4.53 14 0.13 0.31 +++++++++++ * + + peak 8503 HA GLU 17 - HG2 ARG 19 HG2 ARG 19 - HA LYS 20 HG2 ARG 19 - HB3 SER 59 Upper HA GLU 16 - HG2 GLU 23 3.41 7 0.04 0.20 *++ + ++ + peak 10470 HA GLU 17 - HG2 GLU 23 HA LYS 20 - HG2 GLU 23 HG2 GLU 23 - HB3 SER 59 HG2 GLU 23 - HA GLU 95 HA GLU 95 - HG2 GLU 95 Upper HA GLU 16 - HB ILE 76 4.33 12 0.15 0.43 +++++ + ++*+++ peak 8709 HA GLU 17 - HB ILE 76 HA LYS 20 - HB ILE 76 HB2 SER 49 - HB ILE 76 HB3 SER 59 - HB ILE 76 HD2 ARG 30 - HD1 TYR 41 HD2 ARG 30 - HD2 TYR 41 Upper HB2 GLU 16 - HG2 GLU 16 2.82 13 0.05 0.18 + + ++*+++ + ++++ peak 713 HB2 GLU 16 - HG2 GLU 48 Upper HB2 GLU 16 - HG3 GLU 16 2.71 10 0.03 0.11 * ++ ++ + ++++ peak 701 HB2 GLU 16 - HB2 GLU 48 HB2 GLU 16 - HG2 GLU 63 Upper HB2 GLU 16 - H GLU 17 3.21 9 0.04 0.12 ++++* + ++ + peak 6250 H GLU 17 - HB2 GLU 23 H GLU 17 - HB3 GLU 35 Upper HB2 GLU 16 - H GLU 23 3.31 19 0.18 0.25 + ++++++*+++++++++++ peak 6365 QE MET 21 - H GLU 23 H GLU 23 - HB2 GLU 23 H GLU 23 - HB3 GLU 88 Upper HB2 GLU 16 - H GLU 63 3.64 18 0.32 0.50 ++++*+++++ ++++++++ peak 7016 HB2 GLU 23 - H GLU 63 HB3 GLU 35 - H GLU 63 HB3 GLU 62 - H GLU 63 H GLU 63 - HG3 GLU 104 Upper HB3 GLU 16 - HG2 GLU 16 2.40 20 0.38 0.51 +++++++++++*++++++++ peak 714 HB3 GLU 16 - HG2 GLU 48 HG2 GLU 16 - HB3 GLU 23 Upper HB3 GLU 16 - HG3 GLU 16 2.58 10 0.14 0.42 +++ + * +++ + + peak 721 HB3 GLU 16 - HG2 GLU 63 HG3 GLU 16 - HB3 GLU 23 HG2 GLU 63 - HB3 GLU 95 Upper HB3 GLU 16 - HB2 LEU 38 4.40 6 0.06 0.32 ++ + + * + peak 9415 HG2 GLU 35 - HB2 LEU 38 HG3 GLU 35 - HB2 LEU 38 HB2 LEU 38 - HG2 GLU 43 HB2 LEU 38 - HB3 GLN 50 HG LEU 57 - H ASN 60 H ASN 60 - HB3 LEU 64 H ASN 60 - HG2 LYS 66 H ASN 60 - HG3 LYS 66 H ASN 60 - HG2 LYS 73 Upper HB3 GLU 16 - HB2 LEU 38 4.35 6 0.06 0.28 ++ + + + * peak 10605 HG2 GLU 35 - HB2 LEU 38 HG3 GLU 35 - HB2 LEU 38 HB2 LEU 38 - HG2 GLU 43 HB2 LEU 38 - HB3 GLN 50 HB3 LEU 2 - HG3 GLU 43 HG LEU 14 - HG3 GLU 43 HG2 LYS 39 - HG3 GLU 43 HG3 GLU 43 - QB ALA 67 HG3 GLU 43 - HG3 LYS 68 HG3 GLU 43 - HG2 LYS 94 Upper HB3 GLU 16 - HA SER 49 5.11 19 0.53 1.02 +++++++++*++++++++ + peak 9051 HG2 GLU 43 - HA SER 49 HA SER 49 - HB3 GLN 50 HA SER 49 - HB2 GLU 63 Upper HB3 GLU 16 - H ASN 51 4.07 16 0.23 0.52 ++ ++++++ ++ *+++++ peak 6830 HB3 GLN 50 - H ASN 51 H ASN 51 - HB2 GLN 72 Upper HB3 GLU 16 - H GLN 72 3.03 20 0.54 0.55 +++++++++++*++++++++ peak 7172 HB3 GLU 23 - H GLN 72 HB3 GLN 50 - H GLN 72 H GLN 72 - HB2 GLN 72 H GLN 72 - HG2 GLU 75 H GLN 72 - HG3 GLU 75 H GLN 72 - HB3 GLU 95 Upper HB3 GLU 16 - H ILE 76 3.77 20 0.16 0.19 ++++++++++*+++++++++ peak 7252 HB2 GLN 72 - H ILE 76 HB3 GLU 75 - H ILE 76 HG2 GLU 75 - H ILE 76 HG3 GLU 75 - H ILE 76 Upper HG2 GLU 16 - H GLU 44 4.07 20 0.24 0.38 ++++++++++++++++++*+ peak 6709 HB2 TYR 41 - H GLU 44 HG3 GLU 43 - H GLU 44 H GLU 44 - HG2 GLU 48 H GLU 44 - HG3 GLU 69 Upper HG2 GLU 16 - HA GLU 48 3.32 11 0.16 0.66 + ++* ++ + ++++ peak 2227 HG3 GLU 43 - HA GLU 48 HA GLU 48 - HG2 GLU 48 Upper HG2 GLU 16 - HB2 GLU 48 2.70 15 0.21 0.31 +*+++ +++ +++ + +++ peak 2234 HB2 GLU 48 - HG2 GLU 48 Upper HG3 GLU 16 - H GLU 17 3.99 19 0.30 0.41 +++++*+ ++++++++++++ peak 6253 H GLU 17 - HB2 GLU 48 H GLU 17 - HG2 GLU 63 Upper HG3 GLU 16 - HA GLU 23 4.19 20 0.88 1.00 +++++++++++++++++*++ peak 8479 HG3 GLU 16 - HA LYS 47 HG3 GLU 16 - HA GLU 62 HA GLU 62 - HG2 GLU 63 Upper HG3 GLU 16 - QD1 LEU 38 3.93 9 0.21 0.63 ++ + + + + +* + peak 9342 QD1 LEU 38 - HB2 TYR 41 QD1 LEU 38 - HG3 GLU 43 QD1 LEU 38 - HD3 ARG 81 HE1 TYR 41 - QD1 LEU 57 HE2 TYR 41 - QD1 LEU 57 QD1 LEU 57 - HD1 TRP 92 Upper HG3 GLU 16 - H GLU 48 3.13 15 0.20 0.48 ++++++ ++ + ++++*+ peak 6791 H GLU 48 - HB2 GLU 48 Upper HG3 GLU 16 - HG3 GLU 48 2.42 10 0.19 0.59 + ++ +++++ + * peak 2253 HB2 GLU 48 - HG3 GLU 48 Upper HG3 GLU 16 - HB2 GLU 63 2.59 18 0.35 0.42 +++ +++*+ ++++++++++ peak 2788 HB2 GLU 63 - HG2 GLU 63 HG2 GLU 63 - HB2 GLU 95 Upper H GLU 17 - HG2 GLU 17 3.55 7 0.04 0.15 +++ + + * + peak 6257 H GLU 17 - HB3 GLN 72 Upper HA GLU 17 - HB2 GLU 17 2.91 14 0.06 0.09 +++ + ++++++ +*++ peak 727 HA GLU 17 - HB3 LYS 20 Upper HA GLU 17 - HG2 GLU 17 3.73 8 0.03 0.11 ++++*+ + + peak 752 Upper HA GLU 17 - QD1 ILE 52 3.73 6 0.02 0.21 * ++++ + peak 8782 HA LYS 20 - QD1 ILE 52 HA ARG 46 - QD1 ILE 52 HB2 SER 49 - QD1 ILE 52 QD1 ILE 52 - HA LYS 66 HB2 LEU 6 - H ASP 36 QG2 THR 34 - H ASP 36 Upper HB2 GLU 17 - H ALA 18 3.61 6 0.04 0.23 + + +*+ + peak 6268 H ALA 18 - HB3 ARG 19 H ALA 18 - HB3 LYS 20 Upper HB2 GLU 17 - H ARG 19 2.99 18 0.31 0.45 +++*+ +++++++ ++++++ peak 6286 H ARG 19 - HB3 ARG 19 H ARG 19 - HB3 LYS 20 Upper HB2 GLU 17 - H ALA 89 4.39 16 0.07 0.36 * +++ + ++++++ +++++ peak 7405 HB3 LYS 20 - H ALA 89 HB2 LYS 24 - H ALA 89 HB3 LYS 24 - H ALA 89 HB VAL 32 - H ALA 89 HB3 ARG 46 - H ALA 89 HG3 GLU 88 - H ALA 89 Upper HB3 GLU 17 - HA SER 49 4.90 17 0.29 0.57 +++++++++++ *+++ ++ peak 9052 HA SER 49 - HB2 GLN 50 HA SER 49 - QE MET 74 HA SER 49 - HB3 LYS 94 Upper HB3 GLU 17 - H ASN 51 4.13 16 0.28 0.52 *+++ ++++ ++++++ ++ peak 6829 HB2 GLN 50 - H ASN 51 H ASN 51 - HB3 LYS 94 Upper H ALA 18 - H LYS 20 3.92 8 0.04 0.24 + ++++ +* + peak 10964 H ALA 18 - H GLU 28 H ALA 18 - H LYS 66 H ALA 18 - H GLU 99 HA ILE 8 - HB2 ASP 36 HB THR 34 - HB2 ASP 36 HB THR 34 - HB3 ASP 36 Upper H ALA 18 - H LYS 20 3.77 18 0.18 0.46 ++*+++++++++++ +++ + peak 9667 H ALA 18 - H GLU 28 H ALA 18 - H LYS 66 H ALA 18 - H GLU 99 QD2 LEU 6 - HG12 ILE 76 QD1 LEU 14 - HG12 ILE 76 QD1 LEU 42 - HG12 ILE 76 QD1 ILE 52 - HG12 ILE 76 Upper H ALA 18 - QD1 ILE 93 3.56 20 0.29 0.49 +++++++++*++++++++++ peak 9413 H ASN 60 - HB2 GLU 63 H ASN 60 - HB2 GLU 95 Upper HA ALA 18 - H ARG 19 3.27 20 0.26 0.27 ++++++++++++*+++++++ peak 6282 Upper HA ALA 18 - HA MET 21 5.06 14 0.11 0.28 ++ ++++ *+ ++++ ++ peak 10894 QD1 LEU 38 - HB2 ASP 77 QD2 LEU 64 - HB2 ASP 77 Upper HA ALA 18 - QD1 LEU 29 4.00 7 0.04 0.19 + + + + + + * peak 10778 HA ALA 18 - QD2 LEU 29 HA ALA 18 - QG2 VAL 54 HG2 LYS 66 - H LEU 70 HG3 LYS 66 - H LEU 70 Upper QB ALA 18 - HB3 ARG 19 5.05 17 0.25 0.40 +++++ +++++++ +*+++ peak 10440 HB3 ARG 19 - QG2 THR 84 Upper QB ALA 18 - HG2 ARG 19 4.46 19 0.40 0.78 +++++++++++++ ++++*+ peak 8488 Upper QB ALA 18 - H LYS 20 3.84 12 0.37 0.78 ++++++ + +*+ + + peak 8057 H LYS 20 - QG2 THR 84 QD2 LEU 2 - HB3 GLU 17 QD2 LEU 2 - HB2 GLU 35 QD2 LEU 2 - HB2 GLN 50 QD2 LEU 2 - HB3 LYS 94 Upper QB ALA 18 - H LYS 20 4.35 20 0.33 0.50 ++++++++++++++++*+++ peak 10080 QD1 LEU 55 - HB2 SER 97 HG2 ARG 81 - HB2 SER 97 Upper H ARG 19 - HD2 ARG 19 4.30 10 0.05 0.24 + + ++ *++ +++ peak 6290 H ARG 19 - HD3 ARG 19 Upper H ARG 19 - H MET 21 3.63 9 0.09 0.31 + + + * + ++ + + peak 10500 H ARG 19 - HD22 ASN 51 H ARG 19 - H SER 85 QG2 VAL 5 - QD1 LEU 29 QD1 LEU 29 - HB2 ARG 81 Upper HA ARG 19 - H MET 21 4.01 17 0.16 0.38 +++++++++ + + *+++++ peak 6321 H MET 21 - HA ALA 22 H MET 21 - HA LYS 68 H MET 21 - HA SER 97 H MET 21 - HB3 SER 102 Upper HA ARG 19 - HG3 GLN 72 4.63 13 0.06 0.19 ++*+ + + +++++ ++ peak 9037 HA LYS 68 - HG3 GLN 72 HG3 GLN 72 - HA SER 97 QD2 LEU 6 - HA GLU 48 QD1 LEU 14 - HA GLU 48 QD1 LEU 42 - HA GLU 48 HA GLU 48 - QG2 VAL 58 Upper HB3 ARG 19 - HB THR 31 5.16 17 0.16 0.36 ++*+++ +++++++ ++++ peak 8728 HB THR 31 - HB VAL 32 HB THR 31 - HB2 LYS 33 Upper HG2 ARG 19 - H LYS 20 4.75 15 0.10 0.22 +++++++++ +*+ ++ + peak 816 Upper HG2 ARG 19 - H LYS 20 4.63 13 0.08 0.19 ++ +++++ +*+ ++ + peak 6302 H LYS 20 - HB3 LEU 29 Upper HG2 ARG 19 - HG3 GLU 23 4.37 20 0.26 0.90 +++++++++++++*++++++ peak 10464 HG3 GLU 23 - HG2 LYS 24 HG3 GLU 23 - HG3 LYS 90 HG3 GLU 23 - HD3 LYS 94 HG3 GLU 23 - HB2 LEU 103 Upper HG2 ARG 19 - H GLU 28 3.96 20 0.43 0.57 +++++++++++++*++++++ peak 6451 HG LEU 27 - H GLU 28 H GLU 28 - HB3 LEU 29 H GLU 28 - HD2 LYS 66 H GLU 28 - HB2 ARG 79 Upper HG2 ARG 19 - HB2 SER 97 3.06 17 0.17 0.38 ++++ + + +++++*+++++ peak 12126 HG LEU 27 - HB2 SER 97 HD3 LYS 94 - HB2 SER 97 QG1 VAL 5 - HB VAL 54 QD1 ILE 8 - HB VAL 54 QD1 ILE 52 - HB VAL 54 HB VAL 54 - QG2 VAL 78 Upper HG3 ARG 19 - H LYS 20 4.22 18 0.51 0.78 +++++++*++++++ +++ + peak 6303 H LYS 20 - HB2 LYS 66 Upper HG3 ARG 19 - H LEU 29 4.02 18 0.39 0.49 +++++++++++ ++++*++ peak 6463 HB2 GLU 28 - H LEU 29 Upper HG3 ARG 19 - QD2 LEU 29 3.67 11 0.28 0.65 + + + + + +++* ++ peak 8673 HB2 GLU 28 - QD2 LEU 29 QD2 LEU 29 - HB2 LYS 66 QD2 LEU 29 - HB3 LYS 82 Upper HG3 ARG 19 - H LYS 66 3.09 17 0.34 0.44 +++ +++++++ +++ ++*+ peak 7069 HB ILE 56 - H LYS 66 HB3 GLU 63 - H LYS 66 H LYS 66 - HB2 LYS 66 H LYS 66 - HB3 LYS 82 Upper HG3 ARG 19 - HD2 LYS 66 3.00 20 0.53 0.76 ++++++++++*+++++++++ peak 2932 HB3 GLU 63 - HD2 LYS 66 HB2 LYS 66 - HD2 LYS 66 Upper HG3 ARG 19 - HB THR 80 3.60 17 0.16 0.39 ++++++ + +++++++ +*+ peak 10608 HB ILE 56 - HB THR 80 HB2 LYS 66 - HB THR 80 HB THR 80 - HB3 LYS 82 HB THR 80 - HD2 LYS 90 QD2 LEU 2 - HB3 GLU 43 QG2 ILE 8 - HB3 GLU 43 HB3 GLU 43 - QD1 LEU 70 HB3 GLU 43 - QD2 LEU 70 HB3 GLU 43 - QD1 ILE 76 Upper HD2 ARG 19 - QG2 THR 31 3.85 9 0.05 0.32 + + + ++ * + ++ peak 10852 HD3 ARG 19 - QG2 THR 31 HD2 ARG 19 - HG3 LYS 82 HD3 ARG 19 - HG3 LYS 82 HG3 LYS 13 - HG13 ILE 15 HG3 LYS 13 - QD1 ILE 15 Upper H LYS 20 - HB3 LYS 20 3.35 18 0.15 0.23 +++++++*++++++ +++ + peak 871 HB3 LYS 20 - H GLU 28 HB3 LYS 20 - HE ARG 30 HB3 LYS 20 - H LYS 66 HB3 LYS 20 - H GLU 99 Upper H LYS 20 - H ALA 22 4.25 18 0.18 0.37 +++++++++++++* +++ + peak 8973 H ALA 22 - H GLU 28 H ALA 22 - H LYS 66 H ALA 22 - H GLU 99 HB3 LEU 2 - H GLU 44 HG LEU 14 - H GLU 44 QB ALA 25 - H GLU 44 HB3 LEU 27 - H GLU 44 HG2 LYS 39 - H GLU 44 H GLU 44 - QB ALA 67 H GLU 44 - HG3 LYS 68 H GLU 44 - HG2 LYS 94 Upper H LYS 20 - H LEU 27 3.52 20 0.87 0.90 ++++*+++++++++++++++ peak 6445 H LEU 27 - H GLU 28 H LEU 27 - HE ARG 30 H LEU 27 - H LYS 66 H LEU 27 - H GLU 99 Upper H LYS 20 - H LYS 68 3.45 20 0.19 0.28 ++++++++++++*+++++++ peak 9413 H GLU 28 - H LYS 68 H LYS 66 - H LYS 68 H ASN 60 - HB2 GLU 63 H ASN 60 - HB2 GLU 95 Upper HA LYS 20 - HG2 LYS 20 3.32 17 0.16 0.29 +++++*+ ++++++ +++ + peak 848 Upper HA LYS 20 - HG3 LYS 20 3.31 19 0.36 0.48 +++++++ +*++++++++++ peak 851 HA LYS 20 - HD2 LYS 20 HA LYS 20 - HD3 LYS 20 Upper HA LYS 20 - HD2 LYS 20 3.69 20 0.53 0.81 +++++*++++++++++++++ peak 916 HA LYS 20 - HD3 LYS 20 Upper HA LYS 20 - HE2 LYS 20 3.61 10 0.24 0.76 + ++*+ + +++ + peak 938 HA LYS 20 - HE3 LYS 20 Upper HB3 LYS 20 - HA GLU 88 3.44 19 0.37 0.41 ++++*+++++++++++ +++ peak 3867 HB2 LYS 24 - HA GLU 88 HB3 LYS 24 - HA GLU 88 HB VAL 32 - HA GLU 88 HA GLU 88 - HG3 GLU 88 Upper HG2 LYS 20 - HB2 GLU 23 3.73 8 0.07 0.35 *+ ++ + ++ + peak 7503 HB2 GLU 23 - HB2 LEU 27 HB2 GLU 23 - HB2 LEU 38 HB3 GLU 35 - HB2 LEU 38 HB2 GLU 23 - HG LEU 38 HB3 GLU 35 - HG LEU 38 HB3 GLU 35 - HG3 LYS 39 HB2 GLU 23 - HG3 ARG 91 HB3 GLU 35 - HG3 ARG 91 H ASP 87 - H LYS 94 H TRP 92 - H LYS 94 H LYS 94 - H GLY 100 Upper HG2 LYS 20 - HB2 GLU 23 3.76 14 0.15 0.52 *+ + ++++++++ ++ + peak 9941 HB2 GLU 23 - HB2 LEU 27 HB2 GLU 23 - HB2 LEU 38 HB3 GLU 35 - HB2 LEU 38 HB2 GLU 23 - HG LEU 38 HB3 GLU 35 - HG LEU 38 HB3 GLU 35 - HG3 LYS 39 HB2 GLU 23 - HG3 ARG 91 HB3 GLU 35 - HG3 ARG 91 QG2 THR 80 - H LYS 90 QG2 VAL 83 - H LYS 90 Upper HG2 LYS 20 - H ASP 36 4.06 20 0.31 0.65 ++++++*+++++++++++++ peak 8912 H ASP 36 - HB2 LEU 38 H ASP 36 - HG LEU 38 H ASP 36 - HD2 LYS 40 H ASP 36 - HD3 LYS 40 H ASP 36 - HG3 ARG 91 QD1 LEU 2 - H LEU 42 HG13 ILE 7 - H LEU 42 HG13 ILE 8 - H LEU 42 H LEU 42 - QG2 ILE 76 Upper HG2 LYS 20 - HG2 GLU 37 4.73 14 0.35 0.89 ++ + +*+ ++ ++++++ peak 8842 HG2 GLU 37 - HB2 LEU 38 HG2 GLU 37 - HG LEU 38 HG2 GLU 37 - HD2 LYS 40 HG2 GLU 37 - HD3 LYS 40 HG2 GLU 37 - HG13 ILE 52 HG2 GLU 37 - HG2 LYS 53 HG2 GLU 37 - HG3 LYS 53 HG2 GLU 37 - HD2 LYS 53 HG2 GLU 37 - HG3 ARG 91 Upper HG2 LYS 20 - HB2 SER 49 3.89 14 0.06 0.17 +++++++++ +*++ + peak 10875 HD2 LYS 40 - HB2 SER 49 HD3 LYS 40 - HB2 SER 49 HB2 SER 49 - HG13 ILE 52 HG LEU 29 - HA LYS 40 HA LYS 40 - HG13 ILE 76 HA GLU 43 - HG13 ILE 76 HB3 SER 49 - HG13 ILE 76 HG13 ILE 76 - HA ARG 91 HG13 ILE 76 - HA LYS 94 Upper HG2 LYS 20 - HB3 SER 49 3.94 18 0.18 0.33 +++++*+++++ ++++++ + peak 10599 HB3 SER 49 - HG13 ILE 52 HB3 SER 49 - HG13 ILE 76 QD2 LEU 42 - HG12 ILE 52 QD2 LEU 42 - HG2 LYS 82 Upper HG2 LYS 20 - H ASN 51 5.60 12 0.13 0.34 ++++ + + + *++ ++ peak 9106 HG LEU 38 - H ASN 51 HD2 LYS 40 - H ASN 51 HD3 LYS 40 - H ASN 51 H ASN 51 - HG13 ILE 52 H ASN 51 - HG2 LYS 53 H ASN 51 - HG3 LYS 53 H ASN 51 - HD2 LYS 53 H ASN 51 - HD2 LYS 82 H ASN 51 - HB2 ARG 91 H ASN 51 - HG3 ARG 91 Upper HG3 LYS 20 - HA MET 21 4.60 8 0.11 0.69 + + * ++ + ++ peak 8564 HD2 LYS 20 - HA MET 21 HD3 LYS 20 - HA MET 21 HA MET 21 - HB ILE 52 Upper HG3 LYS 20 - HG2 MET 21 5.31 10 0.15 0.90 +++++++ + *+ peak 12042 HD2 LYS 20 - HG2 MET 21 HD3 LYS 20 - HG2 MET 21 HG2 MET 21 - HB ILE 52 HG2 MET 21 - HD2 LYS 68 HG2 MET 21 - HD3 LYS 68 HG2 MET 21 - HD2 LYS 73 HG2 MET 21 - HD3 LYS 73 HG2 MET 21 - HB3 ARG 91 Upper HG3 LYS 20 - QD1 LEU 38 3.91 7 0.05 0.50 + + +* ++ + peak 9012 HD2 LYS 20 - QD1 LEU 38 HD3 LYS 20 - QD1 LEU 38 QD1 LEU 38 - HB3 LYS 40 QD1 LEU 38 - HB ILE 52 QD1 LEU 38 - HB3 ARG 91 HD2 ARG 46 - HA GLN 50 HD2 ARG 46 - HA MET 74 HD2 ARG 46 - HA HIS 106 Upper HG3 LYS 20 - HB2 GLU 48 5.21 7 0.11 0.53 + ++ +*++ peak 12315 HD2 LYS 20 - HB2 GLU 48 HD3 LYS 20 - HB2 GLU 48 HB3 LYS 40 - HB2 GLU 48 HD2 LYS 47 - HB2 GLU 48 HD3 LYS 47 - HB2 GLU 48 HB2 GLU 48 - HB ILE 52 HB2 GLU 48 - HB3 ARG 91 Upper HG3 LYS 20 - H ASN 51 5.73 9 0.16 0.56 * ++++ ++ ++ peak 9105 HD2 LYS 20 - H ASN 51 HD3 LYS 20 - H ASN 51 HB3 LYS 40 - H ASN 51 H ASN 51 - HB ILE 52 H ASN 51 - HB3 LYS 53 H ASN 51 - HD2 LYS 73 H ASN 51 - HD3 LYS 73 H ASN 51 - HB3 ARG 91 Upper HG3 LYS 20 - H ILE 52 3.48 10 0.07 0.18 + +++++ + *++ peak 6860 HD3 LYS 20 - H ILE 52 H ILE 52 - HB ILE 52 H ILE 52 - HB3 LYS 53 H ILE 52 - HD2 LYS 73 H ILE 52 - HD3 LYS 73 Upper HG3 LYS 20 - H LYS 53 3.36 7 0.03 0.18 + +*++++ peak 6869 HD2 LYS 20 - H LYS 53 HD3 LYS 20 - H LYS 53 HB3 LYS 40 - H LYS 53 HB ILE 52 - H LYS 53 H LYS 53 - HB3 LYS 53 Upper HG3 LYS 20 - HD2 LYS 53 2.90 6 0.04 0.23 + * + ++ + peak 2440 HD2 LYS 20 - HD2 LYS 53 HB3 LYS 53 - HD2 LYS 53 Upper HE2 LYS 20 - H MET 21 4.12 17 0.26 0.73 ++ + +++++++*++++ ++ peak 6331 HE3 LYS 20 - H MET 21 H MET 21 - HE2 LYS 68 H MET 21 - HE3 LYS 68 H MET 21 - HE2 LYS 94 H MET 21 - HE3 LYS 94 Upper HE2 LYS 20 - HB3 LYS 94 3.72 9 0.06 0.25 + + *++ + + + + peak 4206 HE3 LYS 20 - HB3 LYS 94 HE2 LYS 68 - HB3 LYS 94 HE3 LYS 68 - HB3 LYS 94 HB3 LYS 94 - HE2 LYS 94 HB3 LYS 94 - HE3 LYS 94 Upper HE2 LYS 20 - HB3 LYS 94 3.72 9 0.06 0.25 + + *++ + + + + peak 4205 HE3 LYS 20 - HB3 LYS 94 HB3 LYS 94 - HE2 LYS 94 HB3 LYS 94 - HE3 LYS 94 Upper H MET 21 - HB2 MET 21 3.06 17 0.26 0.40 +++++ ++ ++++*++++ + peak 6333 H MET 21 - HB2 MET 74 H MET 21 - HG12 ILE 93 Upper H MET 21 - HG2 MET 21 4.03 16 0.13 0.36 ++ ++ *+ +++++ +++++ peak 977 HG2 MET 21 - HD22 ASN 51 HG2 MET 21 - H SER 85 Upper H MET 21 - HG2 MET 21 3.92 19 0.21 0.43 ++++++*+ +++++++++++ peak 6335 H MET 21 - HB2 ASN 51 H MET 21 - HE2 LYS 73 H MET 21 - HE3 LYS 73 H MET 21 - HE3 LYS 90 Upper H MET 21 - QE MET 21 4.00 19 0.26 0.39 +++++ +++++++++*++++ peak 993 QE MET 21 - HD22 ASN 51 QE MET 21 - H SER 85 Upper H MET 21 - QE MET 21 3.37 20 0.82 0.96 +++++++++++++++*++++ peak 6337 H MET 21 - HB2 GLU 23 H MET 21 - HB VAL 83 H MET 21 - HB3 PRO 86 Upper H MET 21 - H GLU 23 3.34 6 0.08 0.47 + + *++ + peak 592 H MET 21 - H ALA 71 H MET 21 - H LYS 94 H MET 21 - H LEU 103 HB2 MET 1 - HA LEU 14 HA LEU 14 - HB2 GLU 17 HA LEU 14 - HB VAL 32 Upper H MET 21 - HB THR 80 4.09 11 0.05 0.14 ++ + + ++ ++ +*+ peak 7546 H MET 21 - HA GLU 88 H MET 21 - HA LYS 90 HA ASN 60 - H PHE 96 HA TRP 92 - H PHE 96 HA TRP 92 - H GLU 104 Upper H MET 21 - HB THR 84 4.15 15 0.13 0.38 ++++++ * +++++ +++ peak 3769 HD22 ASN 51 - HB THR 84 HB THR 84 - H SER 85 Upper HA MET 21 - HD2 LYS 24 4.04 11 0.03 0.07 + ++++ ++ * + + + peak 11063 HA MET 21 - HD3 LYS 24 HD2 LYS 24 - HA ALA 25 HD3 LYS 24 - HA ALA 25 HD2 LYS 13 - HA MET 74 HD3 LYS 13 - HA MET 74 HD2 LYS 24 - HA MET 74 HD3 LYS 24 - HA MET 74 HD3 LYS 13 - HA ILE 76 Upper HA MET 21 - H ASN 26 3.28 7 0.03 0.28 + *+ +++ + peak 6412 HA ALA 25 - H ASN 26 Upper HA MET 21 - HG3 GLU 37 4.62 18 0.30 0.55 + ++++ +++++++++*+++ peak 8973 HA ALA 25 - HG3 GLU 37 HA VAL 32 - HG3 GLU 37 HG3 GLU 37 - HA MET 74 HB3 LEU 2 - H GLU 44 HG LEU 14 - H GLU 44 QB ALA 25 - H GLU 44 HB3 LEU 27 - H GLU 44 HG2 LYS 39 - H GLU 44 H GLU 44 - QB ALA 67 H GLU 44 - HG3 LYS 68 H GLU 44 - HG2 LYS 94 Upper HA MET 21 - HA SER 49 4.20 20 0.28 0.38 +*++++++++++++++++++ peak 9075 HA ALA 25 - HA SER 49 HA VAL 32 - HA SER 49 HA SER 49 - HA GLN 50 HA SER 49 - HA MET 74 Upper HA MET 21 - HD21 ASN 51 5.46 12 0.15 0.73 + + + +++ ++*+ ++ peak 9129 HA VAL 32 - HD21 ASN 51 HA GLU 48 - HD21 ASN 51 HA GLN 50 - HD21 ASN 51 HD21 ASN 51 - HA ILE 76 Upper HA MET 21 - HA GLU 75 5.02 20 0.17 0.21 +*++++++++++++++++++ peak 9624 HA GLN 50 - HA GLU 75 HA MET 74 - HA GLU 75 Upper HB2 MET 21 - HB ILE 52 4.39 9 0.12 0.53 + + * + +++++ peak 12320 HB3 LEU 38 - HB ILE 52 HB3 GLU 48 - HB ILE 52 QD1 LEU 38 - HG2 LYS 68 QD2 LEU 64 - HG2 LYS 68 HG2 LYS 68 - QD1 LEU 103 Upper HB2 MET 21 - HB ILE 52 4.16 7 0.06 0.33 ++ + + *++ peak 12199 HB3 LEU 38 - HB ILE 52 HB3 GLU 48 - HB ILE 52 HA LEU 27 - HG2 ARG 79 HA LEU 27 - HG3 ARG 79 HG LEU 6 - HA LEU 55 HA LEU 55 - HG2 ARG 79 HA LEU 55 - HG3 ARG 79 Upper HB2 MET 21 - QD1 ILE 52 3.80 16 0.30 0.82 ++++ + ++ ++++ ++++* peak 11000 HB3 GLU 48 - QD1 ILE 52 HB2 GLN 50 - QD1 ILE 52 QD1 ILE 52 - HG12 ILE 93 QD1 ILE 52 - HB2 GLU 98 QD1 ILE 52 - HB3 GLU 98 QD1 ILE 52 - HB2 GLU 99 QD1 ILE 52 - HB3 GLU 99 HB2 LEU 3 - QG2 ILE 93 HD3 LYS 82 - QG2 ILE 93 HG3 LYS 90 - QG2 ILE 93 Upper HB2 MET 21 - H ILE 93 3.56 13 0.15 0.32 *+++ + + + + ++ +++ peak 7495 H ILE 93 - HG12 ILE 93 H ILE 93 - HB3 LYS 94 Upper HB2 MET 21 - H LYS 94 3.07 15 0.19 0.35 +++++ ++* ++ +++ + + peak 7509 HG12 ILE 93 - H LYS 94 H LYS 94 - HB3 LYS 94 Upper HB3 MET 21 - H GLU 23 4.19 11 0.07 0.21 ++ + + +++ *++ + peak 8813 HG3 MET 21 - H GLU 23 HB3 MET 21 - H LYS 94 HG3 MET 21 - H LYS 94 HG2 GLU 37 - HD1 TYR 41 HG2 GLU 37 - HE2 TYR 41 HG2 GLU 37 - HD2 TYR 41 Upper HB3 MET 21 - QB ALA 25 3.94 7 0.03 0.13 + + +* + + + peak 12128 HG3 MET 21 - QB ALA 25 HB3 MET 21 - QB ALA 67 HG3 MET 21 - QB ALA 67 HB3 MET 21 - QB ALA 89 HG3 MET 21 - QB ALA 89 HB3 MET 21 - HG2 LYS 94 HG3 MET 21 - HG2 LYS 94 HA LEU 3 - QG2 VAL 54 HA VAL 5 - QG2 VAL 54 Upper HB3 MET 21 - H GLN 50 3.79 15 0.35 0.70 ++++ *+++ + ++++ ++ peak 6815 HG3 MET 21 - H GLN 50 H GLN 50 - HG2 GLN 50 Upper HG2 MET 21 - H ALA 22 4.69 17 0.15 0.26 +++++ ++ +*+++++++ + peak 6349 H ALA 22 - HB2 ASN 51 H ALA 22 - HE3 LYS 73 H ALA 22 - HE3 LYS 90 Upper HG2 MET 21 - H GLU 23 4.51 6 0.04 0.33 + + * +++ peak 9958 HG2 MET 21 - H PHE 45 HG2 MET 21 - H ALA 71 HG2 MET 21 - H LYS 94 HG12 ILE 76 - HA GLU 88 HG12 ILE 76 - HA LYS 90 Upper HG2 MET 21 - H ASN 51 3.70 16 0.23 0.37 ++++ +++*+ + ++++ ++ peak 6835 H ASN 51 - HB2 ASN 51 Upper HG2 MET 21 - HG13 ILE 52 5.29 6 0.08 0.37 * ++ ++ + peak 9169 HB3 PHE 45 - HG13 ILE 52 HG LEU 38 - HB2 ASN 51 HB2 ASN 51 - HG13 ILE 52 HB2 ASN 51 - HG3 ARG 91 HG13 ILE 52 - HE2 LYS 73 HG13 ILE 52 - HE3 LYS 73 Upper HG2 MET 21 - QG2 ILE 93 3.62 7 0.03 0.26 + * + +++ + peak 10661 HG2 MET 21 - HG13 ILE 93 HB3 TYR 4 - H LEU 55 HB2 ASP 11 - H LEU 55 HG3 GLU 48 - H LEU 55 Upper QE MET 21 - H ALA 22 3.60 13 0.17 0.69 +++* ++ ++++ +++ peak 6351 H ALA 22 - HB2 GLU 23 H ALA 22 - HB3 PRO 86 H ALA 22 - HG3 GLU 104 Upper QE MET 21 - HA LEU 57 4.31 10 0.15 0.53 ++ ++ ++ +* + + peak 9645 HB3 GLU 35 - HA LEU 57 HA LEU 57 - HB2 LEU 64 HA LEU 57 - HB VAL 83 HA LEU 57 - HB3 PRO 86 HA LEU 57 - HB3 GLU 88 HA LEU 57 - HG3 GLU 104 HB2 GLU 16 - H ILE 76 HB2 MET 21 - H ILE 76 HB3 GLU 35 - H ILE 76 HB3 LEU 38 - H ILE 76 HB3 GLU 43 - H ILE 76 HB3 GLU 48 - H ILE 76 HB2 MET 74 - H ILE 76 H ILE 76 - HB3 GLU 88 Upper QE MET 21 - HB3 LEU 57 3.76 19 0.17 0.30 ++++ ++++++*++++++++ peak 9550 HB3 GLU 35 - HB3 LEU 57 HG3 GLU 37 - HB3 LEU 57 HB3 LEU 57 - HB2 LEU 64 HB3 LEU 57 - HB VAL 83 HB3 LEU 57 - HB3 PRO 86 HB3 LEU 57 - HB3 GLU 88 HB3 LEU 57 - HG3 GLU 104 QG1 VAL 5 - H ALA 71 QD2 LEU 14 - H ALA 71 QD2 LEU 27 - H ALA 71 H ALA 71 - QG2 VAL 78 Upper QE MET 21 - HD2 LYS 66 3.81 18 0.24 0.36 +*+++++++ +++++++++ peak 6204 HB3 GLU 62 - HD2 LYS 66 HB2 LEU 64 - HD2 LYS 66 HD2 LYS 66 - HB2 PRO 86 HD2 LYS 66 - HB3 PRO 86 H LEU 14 - H GLU 16 H LEU 14 - H ARG 46 H LEU 14 - H GLY 101 Upper QE MET 21 - HD2 LYS 66 3.32 20 0.46 0.68 +++*++++++++++++++++ peak 7060 HB3 GLU 62 - HD2 LYS 66 HB2 LEU 64 - HD2 LYS 66 HD2 LYS 66 - HB2 PRO 86 HD2 LYS 66 - HB3 PRO 86 HA GLU 62 - H LYS 66 H LYS 66 - HA GLU 99 H LYS 66 - HA GLU 104 Upper QE MET 21 - HB2 LYS 68 3.62 15 0.24 0.51 ++ *+ ++ ++ ++++++ + peak 9919 QE MET 21 - HB3 LYS 90 HB2 GLU 23 - HB3 LYS 90 HB3 GLU 35 - HB3 LYS 90 HB3 PRO 86 - HB3 LYS 90 HB3 GLU 88 - HB3 LYS 90 HB3 LYS 90 - HG3 GLU 104 H ILE 56 - H GLU 88 H LYS 24 - H THR 84 H THR 84 - H GLU 88 Upper QE MET 21 - HB2 LYS 68 3.34 10 0.04 0.19 ++ +* ++ + ++ + peak 8267 QE MET 21 - HB3 LYS 90 HB2 GLU 23 - HB3 LYS 90 HB3 GLU 35 - HB3 LYS 90 HB3 PRO 86 - HB3 LYS 90 HB3 GLU 88 - HB3 LYS 90 HB3 LYS 90 - HG3 GLU 104 QG2 ILE 7 - HB2 SER 9 QG2 ILE 7 - HB3 ASP 11 QG2 ILE 7 - HB2 PHE 45 Upper QE MET 21 - HA ALA 89 3.30 6 0.03 0.19 + *+ ++ + peak 1779 HB VAL 83 - HA ALA 89 HB2 PRO 86 - HA ALA 89 HB3 PRO 86 - HA ALA 89 H ASP 36 - HA LYS 40 HA LYS 40 - H GLU 43 HA LYS 40 - H LYS 68 Upper QE MET 21 - QB ALA 89 3.58 20 0.29 0.41 +++++++++++++++*++++ peak 9933 HB2 GLU 23 - QB ALA 89 HB3 GLU 88 - QB ALA 89 Upper QE MET 21 - H LYS 90 3.87 20 0.29 0.39 ++++++++++++++++*+++ peak 9814 HB3 PRO 86 - H LYS 90 HB3 GLU 88 - H LYS 90 HB2 LYS 13 - QG1 VAL 83 HB3 LYS 13 - QG1 VAL 83 HB3 ARG 19 - QG1 VAL 83 HB3 LYS 20 - QG1 VAL 83 HB3 LYS 47 - QG1 VAL 83 QG1 VAL 83 - HB2 LYS 94 Upper QE MET 21 - HB2 LYS 90 3.57 6 0.04 0.23 + ++ * + + peak 1998 HB2 GLU 23 - HB2 LYS 90 HB3 GLU 35 - HB2 LYS 90 HB3 PRO 86 - HB2 LYS 90 HB3 GLU 88 - HB2 LYS 90 HB2 LYS 90 - HG3 GLU 104 HA GLU 44 - HE ARG 46 HA GLU 44 - H LYS 47 HA GLU 44 - H ARG 91 Upper QE MET 21 - HG2 LYS 90 4.00 11 0.07 0.33 + + ++ ++ ++*+ + peak 10568 HB3 PRO 86 - HG2 LYS 90 HB3 GLU 88 - HG2 LYS 90 QD1 LEU 29 - HG3 LYS 39 QD2 LEU 29 - HG3 LYS 39 Upper QE MET 21 - H ARG 91 4.40 20 0.42 0.56 +++++++*++++++++++++ peak 8393 HB2 GLU 23 - H ARG 91 HB3 GLU 35 - H ARG 91 HB VAL 83 - H ARG 91 HB3 PRO 86 - H ARG 91 H ARG 91 - HG3 GLU 104 HB2 LYS 13 - HB THR 80 HB3 LYS 13 - HB THR 80 HB2 LYS 13 - HA GLU 88 HB3 LYS 13 - HA GLU 88 HB2 LYS 13 - HA LYS 90 HB3 LYS 13 - HA LYS 90 Upper QE MET 21 - H ARG 91 4.42 13 0.06 0.16 +++++ + ++ *+++ + peak 10033 HB2 GLU 23 - H ARG 91 HB3 GLU 35 - H ARG 91 HB VAL 83 - H ARG 91 HB3 PRO 86 - H ARG 91 H ARG 91 - HG3 GLU 104 HE ARG 19 - H LYS 94 HE ARG 46 - H LYS 94 H LYS 47 - H LYS 94 HE22 GLN 72 - H LYS 94 H ARG 91 - H LYS 94 Upper H ALA 22 - HA GLU 23 5.19 15 0.09 0.24 +++ ++++*++++ + ++ peak 10446 H ALA 22 - HA LYS 47 H ALA 22 - HA GLN 72 H ALA 22 - HA GLU 99 H ALA 22 - HA GLU 104 Upper H ALA 22 - H LYS 24 3.72 17 0.13 0.43 ++ +++++++++++ +++ * peak 12050 H ALA 22 - H GLU 88 QD2 LEU 29 - H THR 31 QD2 LEU 29 - H VAL 32 QD2 LEU 29 - H VAL 54 QD2 LEU 29 - H ARG 79 Upper H ALA 22 - HG LEU 27 3.37 12 0.14 0.38 + + + +* + ++++ ++ peak 8958 H ALA 22 - HB3 LEU 29 H ALA 22 - HD2 LYS 94 H ALA 22 - HD3 LYS 94 HE2 LYS 39 - QD1 LEU 70 HE3 LYS 39 - QD1 LEU 70 HE2 LYS 39 - QD2 LEU 70 HE3 LYS 39 - QD2 LEU 70 HE2 LYS 39 - QD1 ILE 76 HE3 LYS 39 - QD1 ILE 76 Upper H ALA 22 - QD2 LEU 29 4.97 6 0.02 0.09 + + + + +* peak 10886 HD21 ASN 51 - HG12 ILE 76 HG12 ILE 76 - HE ARG 91 Upper HA ALA 22 - H GLU 23 3.51 13 0.03 0.06 +++ + +++++++ +* peak 1004 Upper HA ALA 22 - HA GLU 23 4.76 12 0.02 0.06 ++* + + ++++ + ++ peak 10447 HA ALA 22 - HA LYS 47 HA ALA 22 - HA GLU 62 HA ALA 22 - HA GLU 99 HA ALA 22 - HA GLU 104 Upper HA ALA 22 - H LYS 24 3.74 13 0.13 0.32 +++ +* + +++++ ++ peak 9700 HA ALA 22 - H ILE 76 HA ALA 22 - H GLU 88 HD2 ARG 79 - HD1 PHE 96 HD3 ARG 79 - HD1 PHE 96 HD2 ARG 79 - HD2 PHE 96 HD3 ARG 79 - HD2 PHE 96 Upper QB ALA 22 - HA ASN 26 4.66 20 0.51 0.76 ++++++++++++++++*+++ peak 8626 HA ASN 26 - HB2 LEU 27 HA ASN 26 - HB2 LEU 38 HA ASN 26 - HD2 LYS 40 HA ASN 26 - HD3 LYS 40 HA ASN 26 - HD2 LYS 82 Upper H GLU 23 - HB2 GLU 23 3.38 19 0.18 0.22 + ++++++*+++++++++++ peak 1020 HB2 GLU 23 - H LYS 94 HB2 GLU 23 - H LEU 103 Upper H GLU 23 - HA LYS 24 4.64 20 0.55 0.67 ++*+++++++++++++++++ peak 12295 HA LYS 24 - H ALA 71 HA LYS 24 - H LYS 94 Upper H GLU 23 - HG2 LYS 24 4.63 6 0.01 0.09 + + + * + + peak 10458 H GLU 23 - HG LEU 27 H GLU 23 - HB3 LEU 29 H GLU 23 - HD3 LYS 94 H GLU 23 - HB2 LEU 103 H GLU 23 - HG LEU 103 Upper H GLU 23 - H ARG 91 4.35 20 0.74 1.00 ++++++++++++++*+++++ peak 8853 H PHE 45 - H ARG 91 H ALA 71 - H ARG 91 H ARG 91 - H LYS 94 H LEU 38 - HB2 LEU 42 H LEU 38 - HG2 ARG 46 H LEU 38 - HB3 LEU 57 H LEU 38 - HB2 GLU 88 Upper H GLU 23 - HG LEU 103 4.57 10 0.10 0.49 * + + +++ + ++ + peak 4490 H LEU 103 - HG LEU 103 Upper H GLU 23 - H GLU 104 3.79 14 0.27 0.57 +++++ +++ +*+++ + peak 7656 H PHE 96 - H LEU 103 H LEU 103 - H GLU 104 Upper HA GLU 23 - HG3 GLU 23 3.50 18 0.07 0.37 ++++++++++ +++++++* peak 1043 HG3 GLU 23 - HB2 SER 59 HG3 GLU 23 - HA GLN 72 HG3 GLU 23 - HA GLU 104 Upper HA GLU 23 - H LYS 24 3.43 20 0.05 0.10 +++++++++++++++++++* peak 6377 HA GLU 23 - H GLU 88 Upper HB2 GLU 23 - HG2 GLU 23 2.72 16 0.08 0.16 +*++++++ ++++++++ peak 1024 HB2 GLU 23 - HG2 GLU 62 HB2 GLU 23 - HG2 GLU 95 Upper HB2 GLU 23 - H LYS 24 3.74 11 0.07 0.32 + ++++++ + + +* peak 1026 HB2 GLU 23 - H ILE 76 HB2 GLU 23 - H GLU 88 HB3 GLU 35 - H GLU 88 Upper HB2 GLU 23 - HD1 TYR 41 4.78 6 0.05 0.29 + + + ++ * peak 12065 HB2 GLU 23 - HD2 TYR 41 HB3 GLU 35 - HD1 TYR 41 HB3 GLU 35 - HD2 TYR 41 HB3 LEU 38 - HD1 TYR 41 HB3 LEU 38 - HD2 TYR 41 HD1 TYR 41 - HB3 GLU 62 HD2 TYR 41 - HB3 GLU 62 HD1 TYR 41 - HB3 GLU 88 HD2 TYR 41 - HB3 GLU 88 QD1 LEU 38 - HD1 TYR 41 QD1 LEU 38 - HD2 TYR 41 Upper HB2 GLU 23 - HB3 ASP 61 4.87 8 0.04 0.15 + + ++ * + + + peak 9450 HB3 ASP 61 - HB3 GLU 62 HB3 ASP 61 - HB2 LEU 64 Upper HB2 GLU 23 - H GLU 62 2.93 19 0.21 0.67 *++++++++++ ++++++++ peak 7007 H GLU 62 - HB3 GLU 62 H GLU 62 - HG3 GLU 104 Upper HB2 GLU 23 - HG2 GLU 88 2.65 19 0.15 0.19 ++++*++++++++++++++ peak 3889 HB3 GLU 88 - HG2 GLU 88 Upper HB3 GLU 23 - HG2 LYS 47 4.84 17 0.24 0.47 *+++++++ + + +++++++ peak 12181 HG3 LYS 13 - HB2 GLN 72 HG2 LYS 47 - HB2 GLN 72 HB2 GLN 72 - HG2 LYS 73 HG2 LYS 73 - HB3 GLU 95 Upper HB3 GLU 23 - HB3 GLU 88 2.78 11 0.02 0.06 + + * + + +++ + ++ peak 3883 HB3 GLU 88 - HG2 GLU 88 HB3 GLU 88 - HG2 GLU 104 Upper HB3 GLU 23 - H ALA 89 3.92 20 0.39 0.98 ++++++++++++++++*+++ peak 7404 HG2 GLU 88 - H ALA 89 H ALA 89 - HG2 GLU 104 Upper HB3 GLU 23 - H GLU 95 3.14 20 0.40 0.45 +++++*++++++++++++++ peak 7540 HB2 GLN 72 - H GLU 95 H GLU 95 - HB3 GLU 95 Upper HB3 GLU 23 - H PHE 96 3.41 6 0.01 0.05 +++ + *+ peak 7666 HB3 GLU 23 - H GLU 104 HG2 GLU 88 - H GLU 104 HB3 GLU 95 - H PHE 96 HB3 GLU 95 - H GLU 104 H PHE 96 - HG2 GLU 104 H GLU 104 - HG2 GLU 104 Upper HG2 GLU 23 - H LYS 24 4.52 19 0.22 0.60 ++++++++++++++++++ * peak 6380 HG2 GLU 23 - H GLU 88 H LYS 24 - HG2 GLU 62 H LYS 24 - HG3 GLU 62 H LYS 24 - HG2 GLU 95 Upper HG2 GLU 23 - H GLU 62 3.39 18 0.23 0.33 +++++++++ ++++*++++ peak 7009 H GLU 62 - HG2 GLU 62 H GLU 62 - HG3 GLU 62 Upper HG2 GLU 23 - HA GLU 95 3.41 10 0.10 0.38 ++*++ +++ + + peak 4301 HA GLU 95 - HG2 GLU 95 Upper HG2 GLU 23 - H PHE 96 4.76 10 0.02 0.08 + +++ + ++ + *+ peak 4306 HG2 GLU 95 - H PHE 96 HG2 GLU 95 - H SER 97 HG2 GLU 23 - H GLU 104 HG2 GLU 95 - H GLU 104 Upper HG2 GLU 23 - H PHE 96 4.82 12 0.05 0.14 + +++ + *+ +++++ peak 7554 HG2 GLU 23 - H GLU 104 HG2 GLU 62 - H GLU 104 HG3 GLU 62 - H GLU 104 HG2 GLU 95 - H PHE 96 HG2 GLU 95 - H GLU 104 Upper H LYS 24 - HG2 LYS 24 3.79 20 0.34 0.61 +*++++++++++++++++++ peak 6385 HG2 LYS 24 - H GLU 88 H GLU 88 - HG3 LYS 90 Upper H LYS 24 - HG3 LYS 24 4.11 18 0.39 0.58 *+++ +++++++++++++ + peak 6386 HG3 LYS 24 - H GLU 88 Upper H LYS 24 - HD2 LYS 24 4.40 7 0.05 0.16 + ++* + + + peak 1117 H LYS 24 - HD3 LYS 24 Upper H LYS 24 - HD2 LYS 24 4.08 10 0.05 0.17 + + + ++*+ ++ + peak 6388 H LYS 24 - HD3 LYS 24 H GLU 88 - HD3 LYS 90 H GLU 88 - HB3 ARG 91 Upper H LYS 24 - HE2 LYS 24 5.56 9 0.06 0.24 ++ ++* + + + + peak 6390 H LYS 24 - HE3 LYS 24 Upper H LYS 24 - HB2 GLU 88 3.36 18 0.17 0.20 +++++++++++++++ *++ peak 7393 H GLU 88 - HB2 GLU 88 H GLU 88 - HB2 LYS 90 Upper H LYS 24 - H LYS 90 4.43 16 0.10 0.19 ++++ ++ ++++ + ++++* peak 10953 H GLU 88 - H LYS 90 H LYS 13 - HB3 PRO 86 H ILE 15 - HB3 PRO 86 H GLU 75 - HB3 PRO 86 Upper H LYS 24 - QG2 ILE 93 4.56 12 0.11 0.51 + + ++ ++ +++ + *+ peak 9162 H GLU 88 - QG2 ILE 93 H GLU 88 - HG13 ILE 93 H LYS 24 - QD1 ILE 93 H GLU 88 - QD1 ILE 93 HA TYR 4 - QG2 ILE 52 QG2 ILE 8 - HA VAL 54 QG2 ILE 52 - HA VAL 54 Upper HA LYS 24 - HG2 LYS 24 3.61 7 0.08 0.52 + +++ + + * peak 1053 Upper HA LYS 24 - HG3 LYS 24 3.34 14 0.29 0.57 ++++ +* + +++ ++++ peak 1054 Upper HA LYS 24 - HD2 LYS 24 3.34 9 0.13 0.47 ++ ++* + +++ peak 1056 HA LYS 24 - HD3 LYS 24 Upper HA LYS 24 - QB ALA 25 4.85 20 0.12 0.16 ++++++++++++++*+++++ peak 10473 QB ALA 25 - HA GLU 62 Upper HB2 LYS 24 - HA ALA 25 3.26 20 0.46 0.57 ++++*+++++++++++++++ peak 1072 HB3 LYS 24 - HA ALA 25 HB2 LYS 73 - HA MET 74 HB3 LYS 73 - HA MET 74 Upper HB2 LYS 24 - H ASN 26 4.56 13 0.09 0.62 +++++ *++ ++ +++ peak 10003 HB3 LYS 24 - H ASN 26 H ASN 26 - HB2 LYS 47 H ASN 26 - HB2 LYS 73 H ASN 26 - HB3 LYS 73 HB2 LEU 2 - HZ2 TRP 92 HG12 ILE 15 - HZ2 TRP 92 HB3 LEU 70 - HZ2 TRP 92 HG LEU 70 - HZ2 TRP 92 Upper HB2 LYS 24 - H ILE 76 3.81 8 0.10 0.46 + + +* + + ++ peak 10916 HB3 LYS 24 - H ILE 76 HB2 GLU 37 - H ILE 76 HB2 ARG 46 - H ILE 76 HB3 ARG 46 - H ILE 76 HB2 LYS 47 - H ILE 76 HB2 LYS 73 - H ILE 76 HB3 LYS 73 - H ILE 76 HB3 MET 74 - H ILE 76 HA ALA 18 - HB THR 80 Upper HG2 LYS 24 - HA ALA 25 4.54 6 0.06 0.46 ++ * + + + peak 10472 HA ALA 25 - HD3 LYS 82 Upper HG3 LYS 24 - HD2 LYS 24 2.44 16 0.05 0.09 + ++ +++ ++++++++* + peak 1102 HG3 LYS 24 - HD3 LYS 24 Upper HG3 LYS 24 - H ALA 25 4.87 11 0.07 0.29 *++ ++ + ++ ++ + peak 6402 H ALA 25 - HB3 LEU 64 Upper H ALA 25 - HA ASN 26 4.54 20 0.19 0.36 ++++++++++++++++*+++ peak 10477 HA ASN 26 - H LEU 64 Upper H ALA 25 - HB3 ASP 61 5.46 6 0.03 0.18 * + + ++ + peak 10737 H GLU 37 - HB3 ASP 61 H SER 49 - HB3 ASP 61 H ASN 60 - HB3 ASP 61 HB3 ASP 61 - H LEU 64 Upper H ALA 25 - HG LEU 64 3.91 19 0.23 0.42 +++++ +++++++++*++++ peak 2826 H LEU 64 - HG LEU 64 Upper H ALA 25 - QD1 LEU 64 4.33 12 0.05 0.12 ++ ++++ + + +++* peak 2842 H LEU 64 - QD1 LEU 64 Upper H ALA 25 - H LYS 66 3.91 17 0.06 0.17 ++++++++++*++++ ++ peak 9563 H ASN 60 - H LYS 66 H LEU 64 - H LYS 66 HB ILE 8 - HG3 GLN 72 HB3 LEU 14 - HG3 GLN 72 HB2 ARG 19 - HG3 GLN 72 HB3 LYS 68 - HG3 GLN 72 Upper QB ALA 25 - H LEU 27 3.29 9 0.03 0.16 + + ++ + ++ + * peak 6441 H LEU 27 - HB3 LEU 27 Upper QB ALA 25 - H LYS 94 4.06 6 0.05 0.28 *+ + + + + peak 7515 H LYS 94 - HG2 LYS 94 Upper QB ALA 25 - HA SER 97 3.97 18 0.26 0.51 ++++++ +*+++++++ +++ peak 10106 HB3 LEU 27 - HA SER 97 QB ALA 67 - HA SER 97 HG3 LYS 68 - HA SER 97 HG2 LYS 94 - HA SER 97 HB3 MET 1 - HA3 GLY 100 HB3 GLU 17 - HA3 GLY 100 HB2 GLU 35 - HA3 GLY 100 HB2 GLU 44 - HA3 GLY 100 HB3 GLU 44 - HA3 GLY 100 HB2 GLU 62 - HA3 GLY 100 QE MET 74 - HA3 GLY 100 HB3 LYS 94 - HA3 GLY 100 Upper H ASN 26 - HB3 ASN 26 3.64 20 0.27 0.31 +++++++++++++++++*++ peak 6416 Upper H ASN 26 - HB2 LEU 27 4.50 19 0.40 0.67 ++++++++ *++++++++++ peak 8617 H ASN 26 - HB2 LEU 38 H ASN 26 - HD2 LYS 40 H ASN 26 - HD3 LYS 40 H ASN 26 - HD2 LYS 82 Upper HA ASN 26 - HA GLU 62 4.48 20 0.28 0.31 +++++*++++++++++++++ peak 10743 HA ASP 61 - HA GLU 62 HA GLU 62 - HA ARG 81 Upper HA ASN 26 - HB3 LEU 64 3.31 7 0.04 0.19 + + + +* + + peak 4182 HA ASP 61 - HB3 LEU 64 HB3 LEU 64 - HA ARG 81 HA GLU 44 - HA LYS 94 HA LYS 94 - HB2 SER 97 Upper HA ASN 26 - HB3 LEU 64 3.71 7 0.04 0.25 ++ + + +* + peak 9872 HA ASP 61 - HB3 LEU 64 HB3 LEU 64 - HA ARG 81 HG3 GLU 23 - HB3 SER 85 HB3 SER 85 - HB2 ASP 87 HB3 SER 85 - HB3 ASP 87 HB3 SER 85 - HD2 ARG 91 HB3 SER 85 - HG3 GLU 98 Upper HB2 ASN 26 - H LEU 27 4.30 20 0.19 0.28 ++++++++++++++++++*+ peak 6435 Upper HB2 ASN 26 - H GLU 62 3.87 12 0.06 0.27 ++ ++ ++ +++ *+ + peak 7004 HB3 ASP 61 - H GLU 62 H GLU 62 - HB2 ASP 65 H GLU 62 - HE2 LYS 82 Upper HB3 ASN 26 - HD21 ASN 26 4.02 20 0.08 0.08 +++++++++++++++*++++ peak 6424 Upper HB3 ASN 26 - QD1 LEU 27 5.02 20 0.13 0.30 ++++++++++++++*+++++ peak 8631 HB3 ASN 26 - QD1 LEU 64 HB3 ASN 26 - HG3 ARG 81 HB3 ASN 26 - QG2 ILE 93 HB3 ASN 26 - HG13 ILE 93 HB3 ASN 26 - QD1 ILE 93 Upper HB3 ASN 26 - HG2 ARG 81 3.79 14 0.17 0.39 ++ ++++ *++++ + ++ peak 6396 HD2 ARG 79 - HG2 ARG 81 HD3 ARG 79 - HG2 ARG 81 HA GLU 23 - H ALA 25 H ALA 25 - HA LYS 47 H ALA 25 - HA GLN 72 Upper H LEU 27 - QD1 LEU 27 3.72 17 0.09 0.31 ++++ +++++++++ + *++ peak 6444 H LEU 27 - QD1 ILE 93 Upper HA LEU 27 - QD1 LEU 27 3.76 20 0.24 0.32 ++++++++*+++++++++++ peak 1186 Upper HB2 LEU 27 - HB3 ASP 65 3.63 12 0.13 0.62 ++ ++ +++ + +* ++ peak 12308 HB2 LEU 38 - HB3 ASP 65 HB2 LEU 38 - HB3 ASP 77 HG LEU 38 - HB3 ASP 65 HG LEU 38 - HB3 ASP 77 HG2 LYS 53 - HB3 ASP 65 HG2 LYS 53 - HB3 ASP 77 HG3 LYS 53 - HB3 ASP 65 HG3 LYS 53 - HB3 ASP 77 HD2 LYS 53 - HB3 ASP 65 HD2 LYS 53 - HB3 ASP 77 HG2 GLU 35 - HD2 LYS 66 HG3 GLU 35 - HD2 LYS 66 HG2 GLU 35 - HD2 LYS 94 HG3 GLU 35 - HD2 LYS 94 HG2 GLU 35 - HD3 LYS 94 HG3 GLU 35 - HD3 LYS 94 HG2 GLU 43 - HD3 LYS 94 Upper HB3 LEU 27 - HD3 LYS 82 3.60 10 0.08 0.33 + + +++ *+ + + + peak 3705 HB2 LYS 82 - HD3 LYS 82 Upper HB3 LEU 27 - HE3 LYS 82 3.71 7 0.05 0.25 + + *++ + + peak 3727 HG3 LYS 40 - HE3 LYS 82 HB2 LYS 82 - HE3 LYS 82 Upper HG LEU 27 - H LYS 66 4.74 14 0.17 0.50 +++++++ +* ++++ + peak 7073 H LYS 66 - HD2 LYS 66 Upper HG LEU 27 - HB2 GLN 72 5.11 14 0.10 0.28 ++++ + ++* +++ ++ + peak 10845 HB2 ARG 30 - HB2 GLN 72 HG3 LYS 47 - HB2 GLN 72 HB2 GLN 72 - HG3 LYS 73 HB2 GLN 72 - HD2 LYS 94 HB2 GLN 72 - HD3 LYS 94 Upper HG LEU 27 - HG2 GLN 72 5.70 16 0.12 0.26 ++ ++ ++ + *++++++++ peak 9567 HB2 ARG 30 - HG2 GLN 72 HG3 LYS 47 - HG2 GLN 72 HG2 GLN 72 - HG3 LYS 73 HG3 GLN 50 - HD2 LYS 94 HG2 GLN 72 - HD2 LYS 94 HG3 GLN 50 - HD3 LYS 94 HG2 GLN 72 - HD3 LYS 94 Upper HG LEU 27 - H GLU 95 4.64 12 0.14 0.53 + +*+++++ + + ++ peak 7535 HB2 ARG 30 - H GLU 95 HD2 LYS 66 - H GLU 95 HD3 LYS 94 - H GLU 95 Upper QD1 LEU 27 - HD2 LYS 94 3.93 17 0.22 0.47 ++++ ++++++ *++++++ peak 11010 QD1 LEU 64 - HD2 LYS 94 QG2 ILE 93 - HD2 LYS 94 HG13 ILE 93 - HD2 LYS 94 QD1 ILE 93 - HD2 LYS 94 Upper QD2 LEU 27 - HA LEU 64 3.13 7 0.07 0.33 + + + + *++ peak 2806 HA LEU 64 - QD1 LEU 64 HA LEU 64 - QG1 VAL 78 HA LEU 64 - HG3 ARG 81 HA LEU 64 - QG2 ILE 93 HA LEU 64 - HG13 ILE 93 Upper QD2 LEU 27 - H ARG 79 3.25 20 0.34 0.53 +++++++++*++++++++++ peak 7287 QG1 VAL 54 - H ARG 79 QD1 LEU 64 - H ARG 79 QG1 VAL 78 - H ARG 79 H ARG 79 - HG3 ARG 81 Upper QD2 LEU 27 - HE2 LYS 82 5.47 9 0.06 0.30 + + +++ + +* + peak 12332 QG1 VAL 58 - HE2 LYS 82 QD1 LEU 64 - HE2 LYS 82 HG3 ARG 81 - HE2 LYS 82 Upper HG2 GLU 28 - H LEU 29 4.08 16 0.10 0.20 ++++++++ + *++++++ peak 6466 HG3 GLU 28 - H LEU 29 Upper HA LEU 29 - QD2 LEU 29 3.90 9 0.03 0.11 + + *+ + ++ + + peak 1296 Upper HB2 LEU 29 - QD2 LEU 29 3.12 6 0.02 0.06 * + + + + + peak 1297 Upper HB2 LEU 29 - H ARG 30 3.94 13 0.06 0.16 +++ + ++ ++ +* ++ + peak 6477 Upper HB2 LEU 29 - QG1 VAL 32 3.98 19 0.16 0.34 ++++++ +++++++++++*+ peak 8943 QG2 THR 31 - QG1 VAL 32 QG1 VAL 32 - QG2 THR 34 QG1 VAL 32 - HG2 LYS 40 Upper HG LEU 29 - H ARG 30 4.10 9 0.03 0.10 + * + + + ++ + + peak 1294 H ARG 30 - HG13 ILE 76 HG LEU 29 - H VAL 83 Upper QD2 LEU 29 - HA ARG 30 3.92 10 0.36 0.92 + + ++ + *+ + + + peak 8683 Upper H ARG 30 - H THR 31 3.96 20 0.44 0.45 +++++++++++++++*++++ peak 6489 H ARG 30 - H ARG 79 Upper H ARG 30 - HA LEU 57 3.52 10 0.19 0.66 + ++ ++ + *+++ peak 493 HA LEU 57 - H VAL 83 HA LYS 13 - HB2 GLU 16 HB2 GLU 16 - HA GLN 72 HB2 GLU 23 - HA GLN 72 HA LYS 13 - HB3 LEU 38 HA LYS 13 - HB2 MET 74 HA GLN 72 - HB2 MET 74 Upper HA ARG 30 - HD2 ARG 30 3.85 16 0.14 0.40 +++ + +++ +++++ +*++ peak 1317 HA ARG 30 - HB3 ASN 51 HA ARG 30 - HD3 ARG 91 Upper HB2 ARG 30 - H THR 80 3.86 18 0.30 0.51 +++++ *++++++++ ++++ peak 7299 HB2 ARG 79 - H THR 80 Upper HB2 ARG 30 - HA LYS 94 3.89 16 0.45 0.82 +++++ +++ ++ *++++ + peak 4177 HA LYS 94 - HD3 LYS 94 Upper HB2 ARG 30 - HB3 LYS 94 3.62 8 0.14 0.39 +++ + ++* + peak 4204 HB3 LYS 94 - HD3 LYS 94 Upper HG3 ARG 30 - H ARG 79 3.71 8 0.12 0.48 + *+++ +++ peak 7292 HG12 ILE 56 - H ARG 79 H ARG 79 - HG2 ARG 79 H ARG 79 - HG3 ARG 79 Upper HG3 ARG 30 - H THR 80 3.74 6 0.06 0.55 + +* +++ peak 7302 HG12 ILE 56 - H THR 80 HG2 ARG 79 - H THR 80 HG3 ARG 79 - H THR 80 Upper HD2 ARG 30 - H THR 31 5.06 8 0.06 0.25 ++ + + + + *+ peak 1364 HD2 ARG 30 - H ARG 79 Upper HD2 ARG 30 - H ASN 51 3.38 9 0.10 0.40 ++ + ++ + + * + peak 6836 H ASN 51 - HB3 ASN 51 H ASN 51 - HD3 ARG 91 Upper HD3 ARG 30 - H THR 31 4.45 6 0.04 0.24 ++ + +* + peak 6498 H THR 31 - HD2 ARG 79 H THR 31 - HD3 ARG 79 Upper HD3 ARG 30 - H ARG 79 3.97 12 0.07 0.20 +++ + + +++*+ ++ peak 7294 H ARG 79 - HD2 ARG 79 H ARG 79 - HD3 ARG 79 Upper H VAL 32 - QG1 VAL 32 3.86 12 0.05 0.12 + ++++++ + + *+ + peak 6510 Upper H VAL 32 - HA LEU 64 4.06 7 0.04 0.17 ++ ++ +*+ peak 10746 H VAL 54 - HA LEU 64 HA LEU 64 - H ALA 67 HA LEU 64 - H ARG 79 QD2 LEU 2 - HB3 GLU 63 QG2 ILE 7 - HB3 GLU 63 QD2 LEU 57 - HB3 GLU 63 HB3 GLU 63 - QD1 LEU 70 HB3 GLU 63 - QD2 LEU 70 HB3 GLU 63 - QD1 ILE 76 Upper H VAL 32 - HA LEU 64 3.73 6 0.03 0.19 ++ + *++ peak 10560 H VAL 54 - HA LEU 64 HA LEU 64 - H ALA 67 HA LEU 64 - H ARG 79 HA ASP 36 - HB2 LYS 39 HB2 LYS 39 - HA LEU 103 Upper H VAL 32 - H ASP 65 4.18 16 0.21 0.42 ++++++ ++*++++ +++ peak 14622 H LYS 53 - H ASP 65 H VAL 54 - H ASP 65 H ASP 65 - H ALA 67 H ASP 65 - H ARG 79 HB3 LEU 38 - HE1 TYR 41 HB3 LEU 38 - HE2 TYR 41 HE1 TYR 41 - HB3 GLU 62 HE2 TYR 41 - HB3 GLU 62 HE1 TYR 41 - HB3 GLU 88 Upper H VAL 32 - H ASP 65 3.43 16 0.18 0.38 +++++ ++++*++++ + + peak 7502 H LYS 53 - H ASP 65 H VAL 54 - H ASP 65 H ASP 65 - H ALA 67 H ASP 65 - H ARG 79 HA GLU 35 - H LYS 94 HA GLU 43 - H LYS 94 HA ALA 89 - H LYS 94 HA ARG 91 - H LYS 94 H LYS 94 - HA3 GLY 101 Upper H VAL 32 - HB3 ASP 77 3.83 11 0.12 0.64 +++ *+ + ++ ++ + peak 8057 H VAL 54 - HB3 ASP 65 H VAL 54 - HB3 ASP 77 HB3 ASP 65 - H ALA 67 HB3 ASP 77 - H ARG 79 QD2 LEU 2 - HB3 GLU 17 QD2 LEU 2 - HB2 GLU 35 QD2 LEU 2 - HB2 GLN 50 QD2 LEU 2 - HB3 LYS 94 Upper HA VAL 32 - H GLU 37 4.64 12 0.10 0.28 +++ ++*+++++ + peak 10288 H GLU 37 - HA MET 74 HG LEU 55 - HB VAL 78 HB VAL 78 - QG2 THR 80 Upper HA VAL 32 - HD1 TYR 41 3.17 11 0.08 0.36 ++*+ +++ ++ ++ peak 9807 HA VAL 32 - HE1 TYR 41 HA VAL 32 - HE2 TYR 41 HA VAL 32 - HD2 TYR 41 QD2 LEU 6 - QG1 VAL 83 QD1 LEU 14 - QG1 VAL 83 QD2 LEU 14 - QG1 VAL 83 QD1 LEU 42 - QG1 VAL 83 QD1 ILE 52 - QG1 VAL 83 QD1 ILE 56 - QG1 VAL 83 QG2 VAL 58 - QG1 VAL 83 Upper HA VAL 32 - HE1 TYR 41 3.52 9 0.07 0.28 ++ * + + +++ + peak 10537 HA VAL 32 - HE2 TYR 41 HE1 TYR 41 - HA MET 74 HE2 TYR 41 - HA MET 74 HA ASP 36 - HB2 LYS 39 HA ASP 36 - HB2 LEU 42 Upper HB VAL 32 - H LYS 33 3.02 19 0.31 0.54 +++++++++++++ +++++* peak 6516 Upper QG2 VAL 32 - H LYS 33 4.01 18 0.07 0.16 ++ +++++++*+ +++++++ peak 6518 Upper QG2 VAL 32 - H GLU 37 4.64 20 0.34 0.91 ++++++*+++++++++++++ peak 8832 H GLU 37 - QD1 LEU 38 H GLU 37 - QD2 LEU 64 Upper QG2 VAL 32 - HG2 GLU 37 4.87 6 0.07 0.54 +* +++ + peak 8845 HG2 GLU 37 - QD2 LEU 38 HG2 GLU 37 - QD1 LEU 70 Upper QG2 VAL 32 - QG2 ILE 56 3.30 9 0.08 0.35 ++ + ++ + ++ * peak 10674 QG2 ILE 56 - QD1 LEU 57 Upper QG2 VAL 32 - H LEU 57 3.58 16 0.31 0.58 ++ ++++ ++*+++++++ peak 6941 H LEU 57 - QD1 LEU 57 Upper QG2 VAL 32 - HA ALA 67 3.23 7 0.13 0.45 ++ + + ++ * peak 9524 QD1 LEU 57 - HA ALA 67 HA ALA 67 - QD1 LEU 70 QD1 LEU 70 - HA ALA 71 HA ALA 67 - QD2 LEU 70 QD2 LEU 70 - HA ALA 71 Upper QG2 VAL 32 - H ARG 81 3.35 9 0.05 0.33 + + ++++ * + + peak 10563 QD2 LEU 38 - H ARG 81 QD1 LEU 57 - H ARG 81 H ARG 81 - QD2 LEU 103 HA ASP 36 - HD3 LYS 39 HD3 LYS 39 - HA LEU 103 Upper H LYS 33 - HB2 LYS 33 3.02 6 0.02 0.14 ++ + +* + peak 6521 H LYS 33 - HB3 LYS 33 Upper H LYS 33 - HG2 LYS 33 3.65 20 0.16 0.35 +++++++++*++++++++++ peak 6522 H LYS 33 - HG12 ILE 56 Upper HA LYS 33 - HG2 LYS 33 3.55 20 0.48 0.61 +++++++++++*++++++++ peak 1417 Upper HA LYS 33 - HG3 LYS 33 3.37 16 0.07 0.19 + +++++++ +*++++ ++ peak 1418 Upper HA LYS 33 - HE2 LYS 33 4.22 14 0.06 0.24 +++ ++ ++ +++ +++* peak 1422 HA LYS 33 - HE3 LYS 33 Upper HG2 LYS 33 - H THR 34 4.39 20 0.18 0.32 ++++++++++++++++*+++ peak 6534 H THR 34 - HG12 ILE 56 Upper HD2 LYS 33 - QG2 THR 34 4.29 20 0.39 0.48 +++*++++++++++++++++ peak 8756 HD3 LYS 33 - QG2 THR 34 Upper HE2 LYS 33 - QG2 THR 34 5.33 8 0.04 0.17 + ++ +++ + * peak 8761 HE3 LYS 33 - QG2 THR 34 Upper H THR 34 - HB3 GLU 37 3.22 10 0.27 0.80 *+++ + + +++ + peak 8753 HB3 GLU 37 - HH2 TRP 92 H THR 34 - HB3 GLU 37 Upper HA THR 34 - HE3 TRP 92 4.31 20 0.44 0.54 ++*+++++++++++++++++ peak 14638 HA ASN 60 - HE3 TRP 92 HA VAL 83 - HE3 TRP 92 HA TRP 92 - HE3 TRP 92 Upper HB THR 34 - QG1 VAL 83 5.46 16 0.06 0.11 +++++ +++ ++++++ * + peak 9800 QG1 VAL 83 - HA THR 84 Upper QG2 THR 34 - H GLU 35 3.96 8 0.04 0.17 + +++ +* ++ peak 6548 Upper H GLU 35 - HB3 GLU 35 3.49 6 0.03 0.12 + + + +* + peak 6551 H GLU 35 - HB3 LEU 38 H GLU 35 - HB3 GLU 43 H GLU 35 - HB3 GLU 88 Upper H GLU 35 - HG2 GLU 35 3.68 6 0.07 0.29 + + + + +* peak 6553 H GLU 35 - HG3 GLU 35 Upper HA GLU 35 - HB2 LYS 39 4.34 10 0.12 0.46 + ++ + + + *+ + + peak 10561 HA LEU 38 - HB2 LYS 39 HB2 LYS 39 - HA LYS 40 HB2 LYS 39 - HA GLU 43 Upper HA GLU 35 - H GLU 44 3.36 20 0.18 0.20 ++++++++++++*+++++++ peak 6705 HA GLU 43 - H GLU 44 Upper HA GLU 35 - HA ARG 46 3.69 20 0.39 0.56 ++++++++++++++*+++++ peak 10455 HA LEU 38 - HA ARG 46 HA LYS 40 - HA ARG 46 HA GLU 43 - HA ARG 46 HA ARG 46 - HA ARG 91 HA ARG 46 - HA2 GLY 100 HA ARG 46 - HA2 GLY 101 HA ARG 46 - HA3 GLY 101 QB ALA 22 - HA LEU 27 Upper HA GLU 35 - HA ARG 46 3.63 11 0.11 0.45 + + ++ +++ + ++* peak 10942 HA LEU 38 - HA ARG 46 HA LYS 40 - HA ARG 46 HA GLU 43 - HA ARG 46 HA ARG 46 - HA ARG 91 HA ARG 46 - HA2 GLY 100 HA ARG 46 - HA2 GLY 101 HA ARG 46 - HA3 GLY 101 QD1 LEU 38 - HD3 LYS 82 QD2 LEU 64 - HD3 LYS 82 HD3 LYS 82 - QD1 LEU 103 Upper HA GLU 35 - HB3 LYS 47 3.48 18 0.26 0.61 + ++++ +++*+++++++++ peak 10184 HA GLU 35 - HB2 LYS 94 HA GLU 43 - HB3 LYS 47 HA GLU 43 - HB2 LYS 94 HA ALA 89 - HB2 LYS 94 HB3 LYS 47 - HA ARG 91 HA ARG 91 - HB2 LYS 94 HB2 LYS 94 - HA3 GLY 101 HB2 LEU 2 - HG3 GLU 17 HB2 LEU 2 - HG3 GLU 48 HD2 LYS 13 - HG3 GLU 17 HD3 LYS 13 - HG3 GLU 17 HG3 GLU 17 - HD3 LYS 90 Upper HA GLU 35 - HB VAL 83 4.01 15 0.08 0.29 * +++++++ ++ +++++ peak 10767 HB VAL 83 - HB2 SER 85 HB VAL 83 - HA ALA 89 HB VAL 83 - HA ARG 91 HB2 GLU 62 - H ASP 65 H ASP 65 - HB3 LYS 94 Upper HA GLU 35 - HA GLU 88 4.43 20 0.13 0.17 ++*+++++++++++++++++ peak 9956 HA GLU 88 - HA ARG 91 HA LYS 90 - HA ARG 91 Upper HB2 GLU 35 - H ASP 36 3.41 11 0.16 0.43 ++ ++ + ++ +*+ + peak 6558 H ASP 36 - QE MET 74 Upper HB2 GLU 35 - H GLU 43 3.45 9 0.09 0.37 + + ++ ++ + + * peak 12303 H GLU 43 - HB2 GLU 44 H GLU 43 - HB3 GLU 44 H GLU 43 - QE MET 74 H GLU 43 - HB3 LYS 94 Upper HB2 GLU 35 - H LYS 94 3.06 15 0.31 0.45 +++++ +++ *+ +++ + + peak 7514 HB2 GLN 50 - H LYS 94 HB2 GLU 62 - H LYS 94 HG12 ILE 93 - H LYS 94 H LYS 94 - HB3 LYS 94 Upper HB3 GLU 35 - H ASP 36 3.57 18 0.36 0.51 +*+++++++ +++++++++ peak 6559 H ASP 36 - HB3 LEU 38 H ASP 36 - HB3 GLU 43 H ASP 36 - HB3 GLU 88 Upper HB3 GLU 35 - H ASP 36 3.47 18 0.49 0.68 +*+++++++ +++++++++ peak 1547 HB3 GLU 35 - H GLU 43 Upper HB3 GLU 35 - H LEU 38 3.08 11 0.13 0.36 ++++ +++ +* ++ peak 6587 H LEU 38 - HB3 LEU 38 H LEU 38 - HB3 GLU 43 H LEU 38 - HB2 MET 74 Upper HB3 GLU 35 - H LYS 39 3.51 8 0.10 0.30 *+ ++ + ++ + peak 6599 HB3 LEU 38 - H LYS 39 H LYS 39 - HB3 GLU 43 H LYS 39 - HB2 MET 74 Upper HG2 GLU 35 - HB2 LYS 39 3.72 19 0.21 0.35 +++++++++++++ ++*+++ peak 14635 HG3 GLU 35 - HB2 LYS 39 HG2 GLU 35 - HB2 LEU 42 HG3 GLU 35 - HB2 LEU 42 QG2 THR 80 - HD1 TRP 92 QG1 VAL 83 - HD1 TRP 92 Upper HG2 GLU 35 - H GLU 63 3.48 17 0.07 0.10 +++ *++++ +++++ ++++ peak 7020 HG3 GLU 35 - H GLU 63 H GLU 63 - HB2 GLU 63 H GLU 63 - HG3 PRO 86 H GLU 63 - HB2 GLU 95 Upper H ASP 36 - H LEU 38 3.56 7 0.03 0.13 + + * + ++ + peak 12012 H LEU 38 - H GLU 43 H LEU 38 - H LYS 68 H LEU 38 - H GLU 104 QD1 LEU 14 - QB ALA 18 QB ALA 18 - QD1 LEU 42 QD1 LEU 14 - QG2 THR 84 Upper H ASP 36 - H LEU 38 3.12 19 0.11 0.37 +++++*++++++ +++++++ peak 12031 H LEU 38 - H GLU 43 H LEU 38 - H LYS 68 H LEU 38 - H GLU 104 QD2 LEU 14 - QB ALA 18 Upper H ASP 36 - H LYS 39 4.09 10 0.07 0.24 +* +++ ++ + ++ peak 6737 H LYS 39 - H GLU 43 H LYS 39 - H LYS 68 HA GLU 37 - H ARG 46 HA LEU 42 - H ARG 46 H ARG 46 - HA3 GLY 100 Upper H ASP 36 - HB3 LYS 39 3.78 9 0.06 0.24 + + * + + + + ++ peak 10821 H ASP 36 - HB3 LYS 66 H ASP 36 - HB3 LYS 68 H ASP 36 - HB3 GLU 104 HE2 LYS 39 - QD2 LEU 70 HE3 LYS 39 - QD2 LEU 70 HE2 LYS 66 - QD2 LEU 70 Upper H ASP 36 - HD2 LYS 39 4.07 8 0.06 0.30 + + + ++ *+ + peak 3054 H ASP 36 - HD2 LYS 68 H ASP 36 - HD3 LYS 68 H LYS 68 - HD2 LYS 68 H LYS 68 - HD3 LYS 68 Upper H ASP 36 - HA TYR 41 3.90 7 0.03 0.10 + ++ * ++ + peak 9192 HA TYR 41 - H GLU 43 HA TYR 41 - H LYS 68 QD2 LEU 3 - HD2 LYS 53 Upper H ASP 36 - HB2 GLU 43 3.57 13 0.02 0.03 ++++ ++++ * ++++ peak 1962 H GLU 43 - HB2 GLU 43 HB2 GLU 43 - H LYS 68 Upper H ASP 36 - HG2 LYS 68 3.94 7 0.18 0.63 ++ + + * + + peak 3021 H LYS 68 - HG2 LYS 68 Upper H ASP 36 - HG3 LYS 68 4.13 17 0.21 0.38 ++ +++++++++ +*++++ peak 3032 H LYS 68 - HG3 LYS 68 Upper HA ASP 36 - HB3 GLU 37 4.32 20 0.59 0.91 +*++++++++++++++++++ peak 10535 HA ASP 36 - HG3 GLU 37 Upper HA ASP 36 - H LEU 38 3.85 20 0.55 0.79 +++++++*++++++++++++ peak 10070 H LEU 38 - HA LEU 103 HG2 ARG 19 - HA SER 97 HA SER 97 - HB2 LEU 103 HA SER 97 - HG LEU 103 Upper HA ASP 36 - H LEU 38 3.92 9 0.08 0.27 + + + + ++ ++ * peak 8333 H LEU 38 - HA LEU 103 QD1 LEU 14 - H ALA 18 H ALA 18 - QD1 LEU 29 H ALA 18 - QG2 VAL 54 H ALA 18 - QG2 VAL 58 Upper HA ASP 36 - HB2 LEU 38 3.79 8 0.05 0.25 + ++ ++ *+ + peak 7473 HA ASP 36 - HG3 LYS 39 H GLU 23 - H TRP 92 H PHE 45 - H TRP 92 H ALA 71 - H TRP 92 H TRP 92 - H LYS 94 Upper HA ASP 36 - HE2 LYS 39 3.96 10 0.05 0.22 + +++ + +++* + peak 10429 HA ASP 36 - HE3 LYS 39 QD1 ILE 8 - HB3 GLU 17 QD2 LEU 14 - HB3 GLU 17 HB3 GLU 17 - QD1 LEU 42 HB2 GLU 35 - QD1 LEU 42 QD1 LEU 42 - HB2 GLU 44 QD1 LEU 42 - HB3 GLU 44 HB3 GLU 17 - QD1 ILE 52 Upper HA ASP 36 - HE2 LYS 68 4.40 11 0.05 0.26 + + + ++*+ ++ ++ peak 9866 HA ASP 36 - HE3 LYS 68 HA ASP 65 - HE2 LYS 68 HA ASP 65 - HE3 LYS 68 HE2 LYS 68 - HA LEU 103 HE3 LYS 68 - HA LEU 103 HB2 LYS 13 - HA SER 85 HB3 LYS 13 - HA SER 85 HB3 LYS 20 - HA SER 85 HA SER 85 - HB2 LYS 94 Upper HB2 ASP 36 - H LYS 39 3.92 13 0.06 0.17 ++++ + +* ++++ + + peak 10230 HB3 ASP 36 - H LYS 39 H LYS 39 - HG2 MET 74 HA LEU 6 - QG2 VAL 32 HA LEU 6 - QD2 LEU 38 HA LEU 6 - QD1 LEU 57 HA LEU 6 - QD2 LEU 103 Upper HB2 ASP 36 - HB2 LYS 39 4.38 19 0.36 1.03 ++++++++++++*++ ++++ peak 10886 HB3 ASP 36 - HB2 LYS 39 HB2 ASP 87 - HB2 LYS 90 HB3 ASP 87 - HB2 LYS 90 HD21 ASN 51 - HG12 ILE 76 HG12 ILE 76 - HE ARG 91 Upper HB2 ASP 36 - HG2 LYS 39 3.86 15 0.30 0.57 +*++++ + ++++++ ++ peak 10852 HB3 ASP 36 - HG2 LYS 39 HG2 LYS 39 - HG2 MET 74 HG3 LYS 13 - HG13 ILE 15 HG3 LYS 13 - QD1 ILE 15 Upper HB2 ASP 36 - HD3 LYS 39 3.55 19 0.18 0.34 + ++++++++++++++++*+ peak 492 HB3 ASP 36 - HD3 LYS 39 HD3 LYS 39 - HG2 MET 74 HA LYS 13 - H GLU 16 H GLU 16 - HA GLN 72 HA LYS 13 - H ARG 46 HA LYS 13 - H GLY 101 Upper HB2 ASP 36 - HD22 ASN 60 4.85 6 0.01 0.06 + + + ++* peak 9430 HB3 ASP 36 - HD22 ASN 60 HD22 ASN 60 - HB2 ASP 61 HD22 ASN 60 - HG3 GLU 63 HD22 ASN 60 - HG3 GLN 72 HD22 ASN 60 - HG2 MET 74 HD22 ASN 60 - HG3 GLU 95 Upper HB2 ASP 36 - H GLU 62 3.52 13 0.08 0.25 ++ ++ ++++++ * ++ peak 7003 HB3 ASP 36 - H GLU 62 HB2 ASP 61 - H GLU 62 H GLU 62 - HG3 GLU 63 Upper H GLU 37 - HB2 GLU 37 3.31 12 0.13 0.28 +++ ++ * + + +++ + peak 6572 H GLU 37 - HB2 ARG 46 H GLU 37 - HB3 MET 74 Upper H GLU 37 - HB3 LYS 40 4.99 20 0.24 0.65 ++++*+++++++++++++++ peak 10781 H GLU 37 - HD2 LYS 73 H GLU 37 - HD3 LYS 73 H GLU 37 - HB3 ARG 91 HD3 LYS 66 - HG12 ILE 76 HD3 LYS 66 - HG2 ARG 91 Upper H GLU 37 - H VAL 54 2.87 20 0.63 0.79 ++*+++++++++++++++++ peak 7409 H VAL 54 - H MET 74 H VAL 54 - H VAL 78 H ALA 89 - H ARG 91 Upper HA GLU 37 - HG2 GLU 37 3.68 16 0.17 0.54 + ++++*+ ++++++++ + peak 1581 Upper HA GLU 37 - HA LEU 38 3.88 20 0.59 0.67 ++++*+++++++++++++++ peak 10543 HA GLU 37 - HA LYS 40 Upper HA GLU 37 - HB2 LEU 38 3.77 9 0.05 0.23 ++ ++ ++ ++ * peak 12310 HA GLU 37 - HG LEU 38 HA GLU 37 - HD2 LYS 40 HA GLU 37 - HD3 LYS 40 Upper HA GLU 37 - H LYS 40 3.56 10 0.06 0.25 ++ + + + * +++ + peak 12255 H LYS 40 - HA LEU 42 H LYS 40 - HA3 GLY 100 HG3 GLU 23 - HG2 LYS 94 HB2 ASP 87 - HG2 LYS 94 HB3 ASP 87 - HG2 LYS 94 HD2 ARG 91 - HG2 LYS 94 Upper HA GLU 37 - H LYS 40 2.81 9 0.06 0.40 + + ++ +* +++ peak 1781 H LYS 40 - HA LEU 42 H LYS 40 - HA3 GLY 100 HB3 LEU 38 - HA LYS 40 HA LYS 40 - HB3 GLU 43 Upper HA GLU 37 - HA LYS 40 3.83 15 0.10 0.26 ++++++++ *+ ++++ + peak 8260 HA LYS 40 - HA LEU 42 HA LYS 40 - HA3 GLY 100 QD1 ILE 7 - HA ALA 18 Upper HA GLU 37 - HG3 LYS 40 3.08 15 0.15 0.45 ++ + * +++ ++ ++++++ peak 9526 HG3 LYS 40 - HA LEU 42 HG3 LYS 40 - HA3 GLY 100 QG2 VAL 32 - QB ALA 67 QD1 LEU 57 - QB ALA 67 QB ALA 67 - QD1 LEU 70 QB ALA 67 - QD2 LEU 70 Upper HA GLU 37 - HE2 LYS 40 4.21 16 0.05 0.11 +++ ++++++++ *+++ + peak 8913 HA GLU 37 - HE3 LYS 40 HG12 ILE 7 - H LEU 42 H LEU 42 - QB ALA 71 H LEU 42 - HG13 ILE 76 Upper HB2 GLU 37 - H LEU 38 3.55 13 0.20 0.72 ++ *+ ++ + + ++++ + peak 6581 H LEU 38 - HB2 ARG 46 H LEU 38 - HB3 ARG 46 H LEU 38 - HB3 MET 74 Upper HB2 GLU 37 - H TYR 41 3.63 18 0.29 0.80 ++++++*++++ + ++++++ peak 4093 H TYR 41 - HB2 GLU 44 H TYR 41 - HB3 GLU 44 H TYR 41 - HB2 LYS 47 H TYR 41 - QE MET 74 HB2 GLN 72 - HA TRP 92 HA TRP 92 - HB3 GLU 95 Upper HB3 GLU 37 - H LEU 38 3.15 7 0.10 0.43 + + + * ++ + peak 6582 HG3 GLU 37 - H LEU 38 Upper HB3 GLU 37 - H LEU 38 3.15 7 0.10 0.43 + + + * ++ + peak 6584 HG3 GLU 37 - H LEU 38 H LEU 38 - HB2 LEU 64 Upper HB3 GLU 37 - HB3 LEU 70 4.85 20 0.33 0.48 +++++++++++++++*++++ peak 10275 HG3 GLU 37 - HB3 LEU 70 HB2 GLU 69 - HB3 LEU 70 HB3 GLU 69 - HB3 LEU 70 HB3 LEU 70 - HB2 PRO 86 HB3 LEU 70 - HB3 PRO 86 Upper HB3 GLU 37 - H GLU 75 3.44 20 0.14 0.31 +++++++*++++++++++++ peak 7241 HB2 GLU 69 - H GLU 75 HB3 GLU 69 - H GLU 75 HG2 GLU 69 - H GLU 75 H GLU 75 - HB2 GLU 75 H GLU 75 - HB2 PRO 86 Upper HG3 GLU 37 - HE1 TYR 41 4.37 16 0.21 0.45 ++++ +++++++ +*+++ peak 9144 HG3 GLU 37 - HE2 TYR 41 HE1 TYR 41 - HB VAL 83 HE2 TYR 41 - HB VAL 83 HD1 PHE 45 - QG2 ILE 52 HD2 PHE 45 - QG2 ILE 52 Upper HG3 GLU 37 - HE1 TYR 41 4.37 15 0.17 0.38 ++++++ +*+ + +++ ++ peak 8605 HG3 GLU 37 - HE2 TYR 41 HE1 TYR 41 - HB VAL 83 HE2 TYR 41 - HB VAL 83 HA ALA 25 - H LEU 27 Upper H LEU 38 - HG LEU 38 4.10 12 0.18 0.50 ++ ++ +++ ++* ++ peak 1642 Upper H LEU 38 - QD1 LEU 38 3.32 18 0.27 0.78 ++++ +++++++++*++ ++ peak 6590 H LEU 38 - QD2 LEU 64 H LEU 38 - QD1 LEU 103 Upper H LEU 38 - HA LYS 39 5.15 20 0.23 0.38 ++++++++*+++++++++++ peak 10547 Upper H LEU 38 - HD2 LYS 39 4.67 15 0.16 0.31 +*+++ + ++++ +++++ peak 8852 H LEU 38 - HB3 LYS 40 H LEU 38 - HB ILE 52 H LEU 38 - HB3 ARG 91 Upper H LEU 38 - HD1 TYR 41 3.20 9 0.06 0.25 ++ + * ++++ + peak 1585 H LEU 38 - HE1 TYR 41 H LEU 38 - HE2 TYR 41 H LEU 38 - HD2 TYR 41 HA GLU 37 - HB2 LYS 40 HA GLU 37 - HB ILE 76 Upper HA LEU 38 - QD1 LEU 38 2.93 9 0.30 0.84 ++ + ++ + +* + peak 1621 HA LEU 38 - QD2 LEU 64 HA LEU 38 - QD1 LEU 103 Upper HA LEU 38 - QD2 LEU 38 3.20 9 0.29 0.80 +* + + + +++ + peak 1651 QD2 LEU 38 - HA LYS 40 QD2 LEU 38 - HA GLU 43 Upper HA LEU 38 - HB3 TYR 41 4.41 18 0.22 0.38 ++++ ++++++++*+++ ++ peak 1890 HA LYS 40 - HB3 TYR 41 HB3 TYR 41 - HA GLU 43 HB3 TYR 41 - HA LYS 94 Upper HA LEU 38 - HB3 ARG 46 3.79 10 0.10 0.32 +* + + + +++++ peak 10227 HA GLU 43 - HB3 ARG 46 HB3 ARG 46 - HA ARG 91 HB3 ARG 46 - HA2 GLY 101 HB3 ARG 46 - HA3 GLY 101 HB3 SER 9 - QG2 VAL 58 HA TYR 41 - QG2 VAL 58 HA GLU 44 - QG2 VAL 58 Upper HB2 LEU 38 - H LYS 40 3.83 13 0.05 0.19 +++*+++++ + + ++ peak 6634 HG LEU 38 - H LYS 40 H LYS 40 - HD2 LYS 40 H LYS 40 - HD3 LYS 40 Upper HB2 LEU 38 - HA LYS 40 3.26 20 0.22 0.36 ++++++++++++++*+++++ peak 1775 HG LEU 38 - HA LYS 40 HA LYS 40 - HD2 LYS 40 HA LYS 40 - HD3 LYS 40 Upper HB2 LEU 38 - H TYR 41 4.44 11 0.10 0.30 +* ++ +++ ++ ++ peak 6651 HG LEU 38 - H TYR 41 HD2 LYS 40 - H TYR 41 HD3 LYS 40 - H TYR 41 Upper HB2 LEU 38 - HG LEU 42 3.24 10 0.11 0.47 + + ++ + +* + + + peak 9610 HG LEU 38 - HG LEU 42 HG LEU 42 - HG13 ILE 52 HA GLU 35 - QE MET 74 HA LEU 38 - QE MET 74 HA LYS 40 - QE MET 74 HA GLU 43 - QE MET 74 QE MET 74 - HA LYS 94 QE MET 74 - HA2 GLY 100 Upper HB2 LEU 38 - QD1 LEU 42 3.48 8 0.07 0.26 ++ + + *++ + peak 8569 HG LEU 38 - QD1 LEU 42 HG3 LYS 39 - QD1 LEU 42 QD1 LEU 42 - HG13 ILE 52 QB ALA 18 - H ALA 22 Upper HB2 LEU 38 - QD2 LEU 42 3.41 19 0.38 0.87 ++++++++++++++++ +*+ peak 9366 HG LEU 38 - QD2 LEU 42 HG3 LYS 39 - QD2 LEU 42 QD2 LEU 42 - HG13 ILE 52 H VAL 58 - QG2 THR 80 Upper HB2 LEU 38 - HG3 GLU 43 4.22 15 0.18 0.65 +++ ++ +++++* +++ + peak 10595 HG LEU 38 - HG3 GLU 43 HG3 GLU 43 - HG13 ILE 52 QD2 LEU 42 - HG3 MET 74 QD2 LEU 42 - HB3 ASP 77 Upper HB2 LEU 38 - HG3 GLU 43 4.33 11 0.14 0.34 + + ++ + ++ + * ++ peak 8689 HG LEU 38 - HG3 GLU 43 HG3 GLU 43 - HG13 ILE 52 HA ILE 15 - QD1 LEU 29 Upper HB2 LEU 38 - HG2 ARG 46 4.35 20 1.54 1.76 ++++++*+++++++++++++ peak 9888 HG LEU 38 - HG2 ARG 46 HG2 ARG 46 - HG2 LYS 53 HG2 ARG 46 - HG3 LYS 53 HG2 ARG 46 - HD2 LYS 53 HB2 LEU 27 - HG3 PRO 86 HG2 LYS 53 - HG3 PRO 86 HG3 LYS 53 - HG3 PRO 86 HD2 LYS 53 - HG3 PRO 86 HB3 LEU 64 - HG3 PRO 86 HG LEU 64 - HG3 PRO 86 HG3 PRO 86 - HB2 ARG 91 HG3 PRO 86 - HG3 ARG 91 Upper HB2 LEU 38 - HG3 ARG 46 3.32 16 0.47 0.96 ++ +++ + +++*+ +++++ peak 12039 HG LEU 38 - HG3 ARG 46 HG3 ARG 46 - HG2 LYS 53 HG3 ARG 46 - HG3 LYS 53 HG3 ARG 46 - HD2 LYS 53 HG3 ARG 46 - HG3 ARG 91 QD1 LEU 2 - HB2 LEU 27 QD1 LEU 2 - HB2 LEU 38 QD1 LEU 2 - HG LEU 38 QD1 LEU 2 - HG13 ILE 52 Upper HB2 LEU 38 - HG3 ARG 46 3.69 19 0.42 0.62 +++++++++++++++ +*++ peak 10347 HG LEU 38 - HG3 ARG 46 HG3 ARG 46 - HG2 LYS 53 HG3 ARG 46 - HG3 LYS 53 HG3 ARG 46 - HD2 LYS 53 HG3 ARG 46 - HG3 ARG 91 HB2 LYS 24 - HA ALA 71 HB3 LYS 24 - HA ALA 71 HA ALA 71 - HB2 LYS 73 HA ALA 71 - HB3 LYS 73 HA ALA 71 - HB3 MET 74 Upper HB2 LEU 38 - H ILE 52 3.82 14 0.32 0.72 + +++++*++ +++ ++ peak 6863 HG LEU 38 - H ILE 52 H ILE 52 - HG13 ILE 52 H ILE 52 - HD2 LYS 53 Upper HB2 LEU 38 - HA ASP 77 5.02 8 0.03 0.16 ++ + + ++* + peak 9675 HD2 LYS 53 - HA ASP 77 HG13 ILE 76 - HA ASP 77 Upper HB3 LEU 38 - HB2 LYS 39 5.40 9 0.09 0.55 ++ *+ + +++ + peak 10545 HB3 LEU 38 - HB2 LEU 42 HB3 LEU 38 - HG3 ARG 46 Upper HG LEU 38 - H ILE 52 3.81 14 0.42 0.82 + +++++*++ +++ ++ peak 2366 H ILE 52 - HG13 ILE 52 HG13 ILE 52 - HZ2 TRP 92 Upper QD1 LEU 38 - H LYS 39 3.92 11 0.21 0.56 ++*+ +++ ++ ++ peak 6602 H LYS 39 - QD2 LEU 64 H LYS 39 - QD1 LEU 103 Upper QD1 LEU 38 - HB3 TYR 41 3.61 8 0.04 0.20 ++ * +++++ peak 7044 QD1 LEU 38 - HB3 ASP 65 QD1 LEU 38 - HG3 MET 74 QD1 LEU 38 - HB3 ASP 77 HA GLU 62 - H ASP 65 H ASP 65 - HA GLU 99 H ASP 65 - HA GLU 104 Upper QD1 LEU 38 - HB3 ASP 65 4.92 8 0.06 0.30 ++*+ + + + + peak 9496 QD1 LEU 38 - HB3 ASP 77 QD2 LEU 64 - HB3 ASP 65 QD2 LEU 64 - HB3 ASP 77 HB3 ASP 65 - QD1 LEU 103 Upper QD1 LEU 38 - H LEU 103 4.15 9 0.05 0.35 + + + + + + +* + peak 7653 H LEU 103 - QD1 LEU 103 Upper QD2 LEU 38 - H LEU 103 4.06 7 0.03 0.13 * + + + + + + peak 7652 H LEU 103 - QD2 LEU 103 Upper H LYS 39 - HD2 LYS 39 4.20 7 0.05 0.24 +* + + ++ + peak 1724 H LYS 39 - HD2 LYS 68 H LYS 39 - HD3 LYS 68 Upper HA LYS 39 - HD2 LYS 39 4.79 14 0.21 0.47 + ++ + +++ ++ *++ ++ peak 1725 HA LYS 39 - HD2 LYS 68 HA LYS 39 - HD3 LYS 68 Upper HB2 LYS 39 - HE2 LYS 39 3.85 11 0.07 0.19 ++ + * +++ ++ ++ peak 1759 HB2 LYS 39 - HE3 LYS 39 Upper HB2 LYS 39 - H LYS 40 3.48 8 0.12 0.42 ++ + + + * + + peak 6620 H LYS 40 - HB2 LEU 42 H LYS 40 - HG3 ARG 46 Upper HB2 LYS 39 - H TYR 41 4.71 12 0.10 0.28 +++ ++ + + +++ *+ peak 8883 H TYR 41 - HB2 LEU 42 H TYR 41 - HG3 ARG 46 H TYR 41 - HB3 GLU 63 H TYR 41 - HB ILE 93 Upper HB2 LYS 39 - H ARG 46 3.57 11 0.31 0.60 +*+ ++ ++++ + + peak 6752 H GLU 16 - HG3 ARG 46 H ARG 46 - HG3 ARG 46 H ARG 46 - HB3 GLU 63 Upper HB2 LYS 39 - H LYS 47 4.32 9 0.25 0.69 * ++ ++ ++ ++ peak 6766 HG3 ARG 46 - H LYS 47 H LYS 47 - HB3 GLU 63 H LYS 47 - HB ILE 93 Upper HB3 LYS 39 - HE2 LYS 39 3.75 7 0.04 0.22 + + * + + ++ peak 1760 HB3 LYS 39 - HE3 LYS 39 HE2 LYS 39 - HB3 LYS 68 HE3 LYS 39 - HB3 LYS 68 Upper HB3 LYS 39 - H GLU 104 3.40 13 0.09 0.24 + +++ +++ + + + * ++ peak 7665 H PHE 96 - HB3 GLU 104 H GLU 104 - HB3 GLU 104 Upper HG2 LYS 39 - HD3 LYS 39 2.66 16 0.20 0.35 + +++++++ ++++ ++*+ peak 1739 HD3 LYS 39 - HG3 LYS 68 Upper HG2 LYS 39 - H LYS 40 3.61 6 0.12 0.57 + * + + + + peak 6632 H LYS 40 - HG3 LYS 40 H LYS 40 - HG3 LYS 68 Upper HG3 LYS 39 - HD2 LYS 39 2.65 12 0.16 0.36 ++++ + ++ + + + *+ peak 1729 HG3 LYS 39 - HD2 LYS 68 HG3 LYS 39 - HD3 LYS 68 Upper HG3 LYS 39 - HD3 LYS 39 2.76 11 0.07 0.26 ++ + ++* ++++ + peak 1740 Upper HG3 LYS 39 - HB2 LEU 42 4.52 18 0.19 0.61 ++*++++++++++ ++ +++ peak 9717 HB2 LEU 42 - HG13 ILE 76 HE2 LYS 39 - HB THR 80 HE3 LYS 39 - HB THR 80 HB2 ASN 60 - HB THR 80 HE2 LYS 66 - HB THR 80 HE3 LYS 66 - HB THR 80 Upper HD2 LYS 39 - QD1 LEU 64 3.30 18 0.10 0.19 ++*++++++++++ +++++ peak 6698 QD1 LEU 64 - HD2 LYS 68 QD1 LEU 64 - HD3 LYS 68 HD2 LYS 39 - QG1 VAL 78 HD2 LYS 68 - QG1 VAL 78 HD3 LYS 68 - QG1 VAL 78 HD2 LYS 39 - QG2 ILE 93 HD2 LYS 39 - HG13 ILE 93 H GLU 43 - H PHE 45 H GLU 43 - H ALA 71 H GLU 43 - H LYS 94 Upper HD2 LYS 39 - QD1 LEU 64 3.46 18 0.14 0.32 ++*++++++++++++++ + peak 9914 QD1 LEU 64 - HD2 LYS 68 QD1 LEU 64 - HD3 LYS 68 HD2 LYS 39 - QG1 VAL 78 HD2 LYS 68 - QG1 VAL 78 HD3 LYS 68 - QG1 VAL 78 HD2 LYS 39 - QG2 ILE 93 HD2 LYS 39 - HG13 ILE 93 QG2 THR 80 - HG3 GLU 88 Upper HD2 LYS 39 - HA LYS 68 4.18 8 0.03 0.11 *+ ++ ++++ peak 3055 HA LYS 68 - HD2 LYS 68 HA LYS 68 - HD3 LYS 68 Upper HD2 LYS 39 - HA GLU 69 4.39 20 0.40 0.64 ++++++++++++*+++++++ peak 10794 HB3 LYS 40 - HA GLU 69 HD2 LYS 68 - HA GLU 69 Upper HD2 LYS 39 - H MET 74 4.83 18 0.21 0.44 +++++++*++ +++++ +++ peak 7222 HB3 LYS 40 - H MET 74 HD2 LYS 47 - H MET 74 HD3 LYS 47 - H MET 74 HB ILE 52 - H MET 74 HD2 LYS 73 - H MET 74 HD3 LYS 73 - H MET 74 H MET 74 - HB3 ARG 79 Upper HD2 LYS 39 - H MET 74 5.07 9 0.04 0.22 + ++ * + ++ + + peak 7221 HD2 LYS 73 - H MET 74 HD3 LYS 73 - H MET 74 Upper HD2 LYS 39 - QE MET 74 3.75 18 0.27 0.65 + ++++*++++++ ++++++ peak 9600 HB3 LYS 40 - QE MET 74 HB ILE 52 - QE MET 74 HD2 LYS 73 - QE MET 74 HD3 LYS 73 - QE MET 74 Upper HD3 LYS 39 - HB3 ASP 65 5.21 10 0.11 0.34 *+++ +++++ + peak 9494 HB3 ASP 65 - HG2 LYS 68 HG2 LYS 68 - HB3 ASP 77 HB3 ASP 65 - HB ILE 76 HB ILE 76 - HB3 ASP 77 Upper HD3 LYS 39 - H GLU 95 4.69 10 0.17 0.69 ++ ++ * ++ +++ peak 7534 HG3 LYS 47 - H GLU 95 HG2 LYS 68 - H GLU 95 HD2 LYS 94 - H GLU 95 Upper H LYS 40 - HG2 LYS 40 4.33 13 0.13 0.31 ++ ++++ + + +++* + peak 1806 Upper H LYS 40 - HG3 LYS 40 4.12 20 0.37 0.53 ++++++++++*+++++++++ peak 1817 HG3 LYS 40 - HE22 GLN 50 Upper H LYS 40 - HB3 TYR 41 5.85 20 0.37 0.44 +++++++++++*++++++++ peak 8892 HB3 TYR 41 - H GLU 48 HB3 TYR 41 - HE22 GLN 50 Upper HA LYS 40 - HE1 TYR 41 5.61 20 0.56 0.94 ++++++++++++*+++++++ peak 8901 HA LYS 40 - HE2 TYR 41 HE1 TYR 41 - HA ALA 67 HE2 TYR 41 - HA ALA 67 Upper HA LYS 40 - HB2 LEU 42 3.80 17 0.22 0.46 ++++++++ +*+++ ++++ peak 9479 HB2 LEU 42 - HB3 SER 49 HB2 LEU 42 - HA ALA 67 HB2 LEU 42 - HA ALA 71 HB2 LEU 42 - HA2 GLY 100 HE2 LYS 39 - QD2 LEU 64 HE3 LYS 39 - QD2 LEU 64 QD2 LEU 64 - HE2 LYS 66 Upper HB3 LYS 40 - HG2 GLU 44 4.11 20 0.20 0.53 +*++++++++++++++++++ peak 10797 HG2 GLU 44 - HD2 LYS 47 HG2 GLU 44 - HD3 LYS 47 HG2 GLU 44 - HG LEU 70 HG2 GLU 69 - HG LEU 70 HG2 GLU 69 - HG2 PRO 86 Upper HD2 LYS 40 - H LYS 82 4.38 20 0.34 0.86 *+++++++++++++++++++ peak 7336 H LYS 82 - HD2 LYS 82 Upper H TYR 41 - HB3 TYR 41 3.26 20 0.31 0.33 +++++++++++*++++++++ peak 6656 H TYR 41 - HG3 MET 74 Upper HA TYR 41 - H GLU 62 5.05 20 0.20 0.27 ++++*+++++++++++++++ peak 10741 H GLU 62 - HA GLU 63 Upper HB2 TYR 41 - HB3 GLU 43 2.71 17 0.05 0.21 ++ ++++++++*+ +++++ peak 1975 HB3 GLU 43 - HG3 GLU 43 Upper HB3 TYR 41 - H LEU 42 3.64 14 0.10 0.38 *++ ++ +++ + ++++ + peak 6669 H LEU 42 - HB3 ASP 65 H LEU 42 - HG3 MET 74 H LEU 42 - HB3 ASP 77 Upper HE1 TYR 41 - QG2 VAL 83 3.90 20 0.32 0.54 ++*+++++++++++++++++ peak 8279 HE2 TYR 41 - QG2 VAL 83 HD21 ASN 60 - QG2 VAL 83 HE21 GLN 72 - QG2 VAL 83 QG2 VAL 83 - HD1 TRP 92 QD1 ILE 7 - QG2 THR 31 QD1 ILE 7 - HG3 LYS 82 Upper HE1 TYR 41 - QG2 VAL 83 3.87 20 0.42 0.61 ++++++++++++++*+++++ peak 9492 HE2 TYR 41 - QG2 VAL 83 HD21 ASN 60 - QG2 VAL 83 HE21 GLN 72 - QG2 VAL 83 QG2 VAL 83 - HD1 TRP 92 HB ILE 8 - H ASP 65 HB VAL 54 - H ASP 65 H ASP 65 - HB3 LYS 68 H ASP 65 - HB3 GLU 104 Upper HE1 TYR 41 - HG3 GLU 88 4.74 6 0.02 0.19 ++ +* + + peak 9421 HD21 ASN 60 - HG3 GLU 88 HE21 GLN 72 - HG3 GLU 88 HG3 GLU 88 - HD1 TRP 92 H ASN 60 - HA ARG 79 H ASN 60 - HA LYS 82 Upper HE1 TYR 41 - H ALA 89 3.33 15 0.36 1.00 + + ++ +*+ ++++++++ peak 12040 HD21 ASN 60 - H ALA 89 HE21 GLN 72 - H ALA 89 H ALA 89 - HD1 TRP 92 QD2 LEU 2 - HB2 LEU 27 QD2 LEU 2 - HB2 LEU 38 QD2 LEU 2 - HG LEU 38 QD2 LEU 2 - HG13 ILE 52 Upper H LEU 42 - H GLU 44 3.97 20 0.22 0.42 +*++++++++++++++++++ peak 11127 H GLU 44 - H LEU 70 H ALA 18 - H ARG 81 H LEU 55 - H ARG 81 Upper H LEU 42 - HG2 GLU 44 3.82 17 0.20 0.45 ++ ++++++++*+ + ++++ peak 3116 H LEU 42 - HG2 GLU 69 HG2 GLU 44 - H LEU 70 HG2 GLU 69 - H LEU 70 Upper H LEU 42 - HG3 GLU 69 4.09 20 0.31 0.45 ++++++++++*+++++++++ peak 3123 HG2 GLU 16 - H LEU 70 HG3 GLU 69 - H LEU 70 Upper H LEU 42 - HB3 LEU 70 3.26 20 0.30 0.34 ++++++++*+++++++++++ peak 3142 H LEU 70 - HB3 LEU 70 Upper HA LEU 42 - QD1 LEU 42 3.80 20 0.16 0.22 ++++++++++++++++++*+ peak 1903 Upper HB2 LEU 42 - HA ASP 87 3.47 11 0.36 0.88 *+ +++ + + ++++ peak 9908 HA ASP 87 - HB2 GLU 88 HA ASP 87 - HB2 LYS 90 HA ASP 87 - HB ILE 93 HA ASP 87 - HB2 GLU 104 Upper QD1 LEU 42 - H ILE 52 4.28 9 0.06 0.18 + ++*++++ + peak 6864 H ILE 52 - QD1 ILE 52 Upper QD1 LEU 42 - HA ILE 52 3.81 17 0.19 0.37 +*++ +++++++++ ++ ++ peak 2340 HA ILE 52 - QD1 ILE 52 Upper QD2 LEU 42 - HG13 ILE 52 3.07 15 0.08 0.13 ++++++++*+ + ++ ++ peak 2369 QG2 ILE 52 - HG13 ILE 52 Upper HB2 GLU 43 - HA GLU 44 3.75 19 0.21 0.37 +++++ ++++++++*+++++ peak 2000 HA GLU 44 - HB3 LYS 47 HA GLU 44 - HB2 LYS 94 Upper HB2 GLU 43 - H GLU 95 3.70 14 0.21 0.36 +++++ ++ ++ ++* + + peak 7530 HB3 LYS 47 - H GLU 95 HB2 LYS 94 - H GLU 95 Upper HB3 GLU 43 - H GLU 48 3.14 17 0.28 0.54 *+++ ++++ +++++++ ++ peak 6792 H GLU 48 - HB3 GLU 48 H GLU 48 - HB2 GLU 99 H GLU 48 - HB3 GLU 99 Upper H GLU 44 - HG3 GLU 44 3.74 8 0.03 0.20 + ++ + + ++ * peak 6714 H GLU 44 - HG3 GLU 69 Upper H GLU 44 - HB2 LYS 47 3.59 10 0.08 0.28 + + ++++* ++ + peak 2144 HB2 LYS 24 - H GLU 48 HB3 LYS 24 - H GLU 48 HB2 LYS 47 - H GLU 48 Upper H GLU 44 - HE2 LYS 47 5.02 9 0.06 0.23 ++ ++ * ++ ++ peak 2222 H GLU 44 - HE3 LYS 47 HE2 LYS 47 - H GLU 48 HE3 LYS 47 - H GLU 48 Upper HA GLU 44 - HB3 PHE 45 4.33 7 0.03 0.16 + + + ++ *+ peak 8977 HA GLU 44 - HE2 LYS 47 HA GLU 44 - HE3 LYS 47 Upper HG2 GLU 44 - HD1 PHE 45 5.18 16 0.18 0.36 + ++++++++ ++++++* peak 8990 HG2 GLU 44 - HD2 PHE 45 Upper HG2 GLU 44 - HA GLU 69 3.32 18 0.32 0.43 + +++*+++++++++++++ peak 3111 HA GLU 69 - HG2 GLU 69 HG2 GLU 69 - HA GLU 75 HG2 GLU 69 - HD2 PRO 86 HG2 GLU 69 - HD3 PRO 86 Upper HG3 GLU 44 - HD1 PHE 45 5.15 18 0.20 0.35 + ++++++++* ++++++++ peak 8993 HG3 GLU 44 - HD2 PHE 45 Upper HB2 PHE 45 - HB3 ARG 46 5.25 6 0.06 0.25 + + + +* + peak 10613 HB3 PHE 45 - HB3 ARG 46 HB3 ARG 46 - HE2 LYS 47 HB3 ARG 46 - HE3 LYS 47 Upper HZ PHE 45 - QG2 VAL 54 3.39 8 0.08 0.41 ++ ++ ++*+ peak 2856 HB2 LYS 53 - HA ASP 65 HA ASP 65 - HB2 LYS 68 Upper H ARG 46 - HG3 ARG 46 4.10 6 0.02 0.07 +*+ +++ peak 2095 HG3 ARG 46 - H GLY 101 Upper HA ARG 46 - HG2 ARG 46 3.21 13 0.32 0.62 +++ +++++*++ + + peak 2061 HG2 ARG 46 - HA LYS 66 HA ARG 46 - HB3 LYS 90 Upper HA ARG 46 - HG3 ARG 46 3.18 12 0.14 0.31 +++ ++ ++*++ + + peak 2062 HB3 GLU 63 - HA LYS 66 Upper HA ARG 46 - HD2 ARG 46 4.28 18 0.25 0.42 +++*++++++++++++ + + peak 2105 HD2 ARG 46 - HA LYS 66 Upper HA ARG 46 - HD2 ARG 46 4.57 8 0.03 0.13 +++* + + + + peak 2063 Upper HA ARG 46 - HD3 ARG 46 4.42 20 0.42 0.58 +++++++*++++++++++++ peak 2114 HD3 ARG 46 - HA LYS 66 Upper HB2 ARG 46 - HG2 ARG 46 2.91 9 0.05 0.10 +++ + +++ + * peak 2071 Upper HB2 ARG 46 - HG3 ARG 46 2.98 10 0.01 0.03 *+ + + + +++++ peak 2072 Upper HB2 ARG 46 - HA LYS 47 2.82 8 0.05 0.17 *+ + +++ + + peak 2124 HA LYS 47 - HB2 LYS 47 Upper HB2 ARG 46 - QE MET 74 2.40 12 0.20 0.51 ++ ++ +* +++++ + peak 3369 HB3 ARG 46 - QE MET 74 HB2 LYS 73 - QE MET 74 HB3 LYS 73 - QE MET 74 HB3 MET 74 - QE MET 74 Upper HB3 ARG 46 - HG2 ARG 46 2.80 11 0.11 0.21 +* + + ++ +++++ peak 2081 Upper HB3 ARG 46 - HG3 ARG 46 2.87 9 0.06 0.14 +++ + *++ + + peak 2082 Upper HG2 ARG 46 - H LYS 47 4.16 7 0.09 0.69 + *+ ++ ++ peak 6765 H LYS 47 - HB3 LEU 57 H LYS 47 - HB2 GLU 88 H LYS 47 - HB2 LYS 90 H LYS 47 - HB3 LYS 90 Upper HG2 ARG 46 - H LYS 90 3.11 19 0.41 0.47 +*+++++++++++++++ ++ peak 7418 HB2 LYS 53 - H LYS 90 HB3 LEU 57 - H LYS 90 HB2 LYS 68 - H LYS 90 H LYS 90 - HB3 LYS 90 Upper HG2 ARG 46 - H ARG 91 3.30 20 0.58 0.91 +++++++++++++++*++++ peak 7434 HB2 LYS 53 - H ARG 91 HB3 LEU 57 - H ARG 91 HB2 LYS 68 - H ARG 91 HB3 LYS 90 - H ARG 91 Upper HG2 ARG 46 - H ARG 91 3.17 11 0.26 0.69 *+ +++ + + ++++ peak 7433 HB2 GLU 88 - H ARG 91 HB2 LYS 90 - H ARG 91 H ARG 91 - HB ILE 93 Upper HG3 ARG 46 - HB ILE 76 3.63 20 0.24 0.45 +++++*++++++++++++++ peak 7099 HB3 GLU 63 - HB ILE 76 HB ILE 76 - HB VAL 78 HA LEU 64 - H LYS 68 Upper HE ARG 46 - HB2 LYS 47 3.44 12 0.08 0.16 + + +++++ + *+ ++ peak 2134 H LYS 47 - HB2 LYS 47 HB2 LYS 47 - H ARG 91 Upper HE ARG 46 - HA GLU 88 4.01 10 0.05 0.20 + * + ++++ +++ peak 10925 H LYS 47 - HA GLU 88 HA GLU 88 - H ARG 91 H ILE 52 - HD2 ARG 81 HD2 ARG 81 - HZ2 TRP 92 Upper HE ARG 46 - HD3 LYS 90 3.60 7 0.18 1.04 + + +++ * + peak 3989 H LYS 47 - HD3 LYS 90 HG12 ILE 15 - H ARG 91 HD3 LYS 90 - H ARG 91 Upper HE ARG 46 - H ILE 93 3.41 15 0.07 0.16 ++ +*+ + +++++ + +++ peak 12025 H LYS 47 - H ILE 93 H ARG 91 - H ILE 93 HG12 ILE 7 - HG12 ILE 15 HG2 LYS 13 - HG12 ILE 15 HG2 LYS 13 - HD3 LYS 47 HG12 ILE 15 - HG LEU 29 HG12 ILE 15 - QB ALA 71 HG13 ILE 76 - HB3 ARG 91 Upper H LYS 47 - HD2 LYS 47 3.87 9 0.07 0.21 +++ * +++ + + peak 6775 H LYS 47 - HD3 LYS 47 H LYS 47 - HB3 ARG 91 Upper HA LYS 47 - HB3 LYS 47 2.91 12 0.06 0.11 + + +*+++ + ++ ++ peak 2125 Upper HA LYS 47 - HD2 LYS 47 3.72 20 0.36 0.52 +++++++*++++++++++++ peak 2129 HA LYS 47 - HD3 LYS 47 HA LYS 47 - HB3 ARG 91 Upper HA LYS 47 - HE2 LYS 47 3.95 18 0.13 0.38 ++++ ++ ++++++++*+++ peak 2213 HA LYS 47 - HE3 LYS 47 Upper HG2 LYS 47 - HE2 LYS 47 2.92 8 0.14 0.39 + + + + *+ ++ peak 2216 HG2 LYS 47 - HE3 LYS 47 Upper HG3 LYS 47 - HE2 LYS 47 2.88 12 0.24 0.43 ++ + + ++++*++ + peak 2217 HG3 LYS 47 - HE3 LYS 47 Upper HG3 LYS 47 - H GLU 48 4.75 15 0.14 0.38 + + +++++++ +++*++ peak 6785 H GLU 48 - HD2 LYS 94 Upper HG3 LYS 47 - HA LYS 94 3.90 14 0.34 0.83 +++++ +* ++ +++ + + peak 4176 HA LYS 94 - HD2 LYS 94 Upper HG3 LYS 47 - HB3 LYS 94 3.60 8 0.10 0.35 + + ++* + + + peak 4203 HB3 LYS 94 - HD2 LYS 94 Upper HD2 LYS 47 - H GLU 48 4.87 9 0.07 0.27 ++ + *+ + +++ peak 6787 HD3 LYS 47 - H GLU 48 H GLU 48 - HB ILE 52 Upper HD2 LYS 47 - HA GLU 88 4.04 19 0.42 0.69 + ++++++++++*+++++++ peak 4034 HD3 LYS 47 - HA GLU 88 HA GLU 88 - HB3 ARG 91 HA LYS 90 - HB3 ARG 91 Upper HD2 LYS 47 - H ARG 91 2.99 12 0.14 0.49 ++ ++ +++*+++ + peak 7443 HD3 LYS 47 - H ARG 91 HD3 LYS 90 - H ARG 91 H ARG 91 - HB3 ARG 91 Upper HD2 LYS 47 - H TRP 92 3.63 15 0.06 0.18 + ++++ + ++++++ *++ peak 7458 HD3 LYS 47 - H TRP 92 HG2 PRO 86 - H TRP 92 HD3 LYS 90 - H TRP 92 HB3 ARG 91 - H TRP 92 Upper H GLU 48 - HA SER 49 4.64 12 0.11 0.43 + +++ + ++ ++ ++* peak 10189 Upper H GLU 48 - HA GLN 50 4.06 16 0.20 0.48 ++++ +*+++ +++++ ++ peak 9096 HA GLN 50 - HE22 GLN 50 Upper HA GLU 48 - HG3 GLU 48 3.80 7 0.08 0.43 + + + +* ++ peak 2228 Upper HA GLU 48 - H SER 49 3.32 17 0.18 0.24 +++++++++++*+++++ peak 6798 H SER 49 - HA ILE 76 Upper HA GLU 48 - H SER 49 3.53 13 0.03 0.04 +* +++++ ++++++ peak 2229 Upper HB2 GLU 48 - HB VAL 58 3.64 19 0.23 0.38 ++++++++*++++++ ++++ peak 11009 HB VAL 58 - HG2 GLU 63 HB VAL 58 - HG2 GLU 95 QD2 LEU 2 - HD2 LYS 94 QG2 VAL 32 - HD2 LYS 94 QD1 LEU 70 - HD2 LYS 94 QD2 LEU 70 - HD2 LYS 94 Upper HA SER 49 - HB2 SER 49 2.99 14 0.03 0.04 + ++ +++ + * ++++ ++ peak 2260 Upper HB3 SER 49 - H GLN 50 4.45 16 0.12 0.21 *+++ +++++ + ++++ ++ peak 2272 Upper HG3 GLN 50 - HE21 GLN 50 4.04 13 0.03 0.06 + +++++++ +*+++ peak 6825 Upper HG3 GLN 50 - HE22 GLN 50 3.50 7 0.02 0.05 + + +++ +* peak 9087 Upper H ASN 51 - HB2 ASN 51 3.85 15 0.11 0.22 ++++ +++* + ++++ ++ peak 2320 Upper H ASN 51 - HG LEU 57 5.46 20 0.26 0.39 +++++++++++++*++++++ peak 2632 HG LEU 57 - H VAL 58 Upper HB2 ASN 51 - H ILE 52 4.29 15 0.11 0.29 + + ++++++++++* ++ peak 6855 Upper HB3 ASN 51 - HD21 ASN 51 3.98 15 0.07 0.12 +++*+ ++++++ ++ ++ peak 6844 Upper HB3 ASN 51 - H ILE 52 4.37 12 0.16 0.30 *++++ + +++ + ++ peak 6856 Upper H ILE 52 - HG12 ILE 52 4.19 8 0.04 0.24 + ++*++ + + peak 2358 HG12 ILE 52 - HZ2 TRP 92 Upper H ILE 52 - HG12 ILE 52 3.75 9 0.24 0.68 + ++*++++ + peak 6862 H ILE 52 - HB3 LEU 55 H ILE 52 - HB3 ARG 81 Upper HA ILE 52 - HG3 ARG 81 5.55 19 0.42 0.67 +++++++++ +++*++++++ peak 10923 HA THR 80 - HG3 ARG 81 Upper HB ILE 52 - H LYS 53 3.36 7 0.03 0.18 + +*++++ peak 6876 H LYS 53 - HB3 LYS 53 Upper H LYS 53 - HA LYS 68 5.13 9 0.03 0.10 + ++ ++ + +* + peak 12278 H VAL 54 - HA LYS 68 HA ARG 19 - H ALA 67 H ALA 67 - HA LYS 68 Upper HA LYS 53 - QG1 VAL 54 4.50 20 0.85 0.95 ++++++++++++++*+++++ peak 9230 QG1 VAL 54 - HA SER 59 Upper HB2 LYS 53 - HE2 LYS 53 3.98 17 0.15 0.30 ++++ +++ +++ ++*++++ peak 2472 HB2 LYS 53 - HE3 LYS 53 Upper HB2 LYS 53 - H VAL 54 3.42 20 0.26 0.46 ++++++++++++++++++*+ peak 6887 H VAL 54 - HB2 LYS 68 H VAL 54 - HB3 LYS 90 Upper HB2 LYS 53 - HB2 ASP 65 5.10 16 0.13 0.31 ++ *+++++++ ++++++ peak 9498 HB2 ASP 65 - HB3 LYS 66 HB2 ASP 65 - HB2 LYS 68 Upper HB2 LYS 53 - H LYS 68 2.88 14 0.24 0.51 * +++++++ ++ ++++ peak 7107 H LYS 68 - HB2 LYS 68 H LYS 68 - HB3 LYS 90 Upper HB2 LYS 53 - HD3 LYS 90 2.95 18 0.28 0.90 +++++*++++++ + +++++ peak 3982 HB2 LYS 68 - HD3 LYS 90 HG12 ILE 15 - HB3 LYS 90 HB3 LYS 90 - HD3 LYS 90 Upper HB3 LYS 53 - HG2 LYS 53 2.40 7 0.03 0.12 + * + ++ + + peak 2429 HB3 LYS 53 - HG3 LYS 53 Upper HB3 LYS 53 - HE2 LYS 53 3.80 11 0.08 0.24 + + + ++* ++++ + peak 2473 HB3 LYS 53 - HE3 LYS 53 Upper HG2 LYS 53 - H VAL 54 4.14 18 0.16 0.33 ++++++++++++++ +* ++ peak 2436 HG3 LYS 53 - H VAL 54 Upper HG2 LYS 53 - HE1 PHE 96 3.34 17 0.17 0.42 ++++++ +++*+++ ++++ peak 7060 HG3 LYS 53 - HE1 PHE 96 HG2 LYS 53 - HE2 PHE 96 HG3 LYS 53 - HE2 PHE 96 HA GLU 62 - H LYS 66 H LYS 66 - HA GLU 99 H LYS 66 - HA GLU 104 Upper HD2 LYS 53 - HE1 PHE 96 4.39 17 0.17 0.47 ++++ +++++ + +*+++++ peak 11079 HD2 LYS 53 - HE2 PHE 96 HG LEU 14 - QG2 ILE 56 Upper HE2 LYS 53 - H VAL 54 5.05 13 0.07 0.20 +++ +++ ++ +++*+ peak 2469 HE3 LYS 53 - H VAL 54 HE2 LYS 53 - H ARG 79 Upper HE2 LYS 53 - H VAL 54 5.05 12 0.06 0.19 +++ + + ++ +++*+ peak 2480 HE3 LYS 53 - H VAL 54 HE3 LYS 53 - H ARG 79 Upper H VAL 54 - QG1 VAL 54 3.95 18 0.05 0.08 +++++++ ++++++ +++*+ peak 2499 Upper H VAL 54 - QG1 VAL 78 3.41 18 0.17 0.30 *+++ +++++++++ +++++ peak 3495 QG1 VAL 78 - H ARG 79 Upper QG2 VAL 54 - H LEU 55 3.90 20 0.26 0.55 +++++++++*++++++++++ peak 6904 Upper HG LEU 55 - H LEU 64 4.70 7 0.04 0.29 + ++++ * + peak 10185 H LEU 64 - QG2 THR 80 H LEU 64 - QG2 VAL 83 HG12 ILE 8 - HG3 GLU 44 HG3 LYS 40 - HG3 GLU 44 HG3 GLU 44 - HB2 LEU 70 Upper HG LEU 55 - HG2 LYS 68 3.80 13 0.25 0.52 + +++++++ + +++* peak 10460 HG2 LYS 68 - QG2 THR 80 HG2 LYS 68 - QG2 VAL 83 HG2 LYS 20 - HG2 GLU 23 HG2 GLU 23 - HB2 LEU 38 HG2 GLU 23 - HG LEU 38 HG13 ILE 52 - HG2 GLU 95 HG2 GLU 23 - HG3 ARG 91 Upper HG LEU 55 - H THR 84 3.72 17 0.18 0.33 +++++ *+++++++++ + + peak 7361 QG2 VAL 83 - H THR 84 Upper HG LEU 55 - QG2 THR 84 4.43 20 0.30 0.50 ++++++++++++++*+++++ peak 10948 QG2 THR 80 - QG2 THR 84 QG2 VAL 83 - QG2 THR 84 Upper HG LEU 55 - HB2 TRP 92 4.59 15 0.09 0.20 +++ *+ ++++++++++ peak 10075 QG2 VAL 83 - HB2 TRP 92 QD1 LEU 55 - HB3 SER 97 HG2 ARG 81 - HB3 SER 97 Upper HG LEU 55 - HZ2 TRP 92 3.95 20 0.23 0.38 +++*++++++++++++++++ peak 8782 QG2 VAL 83 - HZ2 TRP 92 HB2 LEU 6 - H ASP 36 QG2 THR 34 - H ASP 36 Upper QD1 LEU 55 - HB3 LEU 57 4.53 15 0.11 0.35 +*+ ++ ++++ ++++ ++ peak 8252 QD1 LEU 55 - HB ILE 93 H ILE 7 - HB THR 31 H ILE 7 - HA SER 49 Upper QD1 LEU 55 - HB3 LEU 57 4.71 20 0.38 0.73 +++++++++++++*++++++ peak 9419 QD1 LEU 55 - HB ILE 93 QD2 LEU 2 - H ASN 60 QG2 ILE 7 - H ASN 60 QG2 ILE 15 - H ASN 60 QD2 LEU 57 - H ASN 60 H ASN 60 - QD1 LEU 70 H ASN 60 - QD2 LEU 70 H ASN 60 - QD1 ILE 76 Upper QD1 LEU 55 - QD1 LEU 57 3.17 9 0.06 0.28 ++ + ++ +* + + peak 9982 QD1 LEU 57 - HG2 ARG 81 HB2 GLN 72 - HE3 TRP 92 HE3 TRP 92 - HB3 GLU 95 Upper QD1 LEU 55 - H THR 80 4.55 12 0.10 0.39 +*++ +++ ++ ++ + peak 9716 H THR 80 - HG2 ARG 81 Upper QD1 LEU 55 - H LYS 82 4.66 10 0.06 0.25 + *+ + + ++ +++ peak 7327 HG2 ARG 81 - H LYS 82 Upper QD1 LEU 55 - H PHE 96 3.61 20 0.19 0.38 ++++++++++++++*+++++ peak 8197 QD1 LEU 55 - H SER 97 QD1 LEU 3 - QG2 VAL 5 QG2 VAL 5 - QD1 LEU 55 Upper QD1 LEU 55 - HA PHE 96 3.41 18 0.25 0.48 ++ ++++* +++++++++++ peak 12025 HG12 ILE 7 - HG12 ILE 15 HG2 LYS 13 - HG12 ILE 15 HG2 LYS 13 - HD3 LYS 47 HG12 ILE 15 - HG LEU 29 HG12 ILE 15 - QB ALA 71 HG13 ILE 76 - HB3 ARG 91 Upper QD1 LEU 55 - HA PHE 96 3.91 12 0.17 0.58 *++++ +++ ++ ++ peak 10158 QE MET 21 - HB VAL 32 HB VAL 32 - HB3 GLU 35 HB VAL 32 - HB3 LEU 38 HB VAL 32 - HB3 GLU 62 HB VAL 32 - HB3 GLU 88 Upper QD2 LEU 55 - H LYS 94 4.25 10 0.07 0.27 ++ ++ + * ++++ peak 7501 HB THR 80 - H LYS 94 HA GLU 88 - H LYS 94 HA LYS 90 - H LYS 94 Upper HB ILE 56 - H LEU 57 3.99 12 0.10 0.34 ++ + +++++ * +++ peak 6931 Upper HB ILE 56 - H VAL 78 3.39 20 0.39 0.45 +++++++++++++++*++++ peak 7278 H VAL 78 - HB VAL 78 Upper HB2 LEU 57 - H ARG 81 5.10 10 0.06 0.40 + + +++ + + *+ + peak 8014 HB3 MET 1 - QD2 LEU 3 Upper HB2 LEU 57 - HB VAL 83 4.57 9 0.04 0.20 + ++ * +++++ peak 9962 HB3 GLU 37 - HD2 ARG 91 HG3 GLU 37 - HD2 ARG 91 HB2 LEU 64 - HD2 ARG 91 HB VAL 83 - HD2 ARG 91 HB2 PRO 86 - HD2 ARG 91 HB3 PRO 86 - HD2 ARG 91 Upper HB2 LEU 57 - HB VAL 83 3.66 12 0.16 0.53 + + +++++++ ++* peak 10187 HB3 LYS 40 - HG3 GLU 44 HG3 GLU 44 - HD2 LYS 47 HG3 GLU 44 - HD3 LYS 47 HG3 GLU 44 - HG LEU 70 Upper HB3 LEU 57 - H VAL 58 4.34 18 0.13 0.19 ++ +++++++++++*++++ peak 6947 Upper HG LEU 57 - HA VAL 58 5.31 17 0.10 0.21 ++++*++++ +++++++ + peak 9370 HA VAL 58 - HB3 LEU 64 HA VAL 58 - HG LEU 64 Upper HG LEU 57 - H GLU 69 3.79 14 0.15 0.45 ++ + ++++* +++++ + peak 10848 HB3 LEU 64 - H GLU 69 HG2 LYS 66 - H GLU 69 HG3 LYS 66 - H GLU 69 H GLU 69 - HG2 LYS 73 HA LYS 13 - H MET 74 HA GLN 72 - H MET 74 HA GLN 72 - H VAL 78 Upper QD2 LEU 57 - H TRP 92 4.13 20 0.27 0.39 ++++++++++++*+++++++ peak 9983 QD1 ILE 76 - H TRP 92 H TRP 92 - QD1 ILE 93 Upper HA VAL 58 - HB2 GLU 63 4.11 16 0.14 0.37 ++++ +++++++++ *+ + peak 8946 HA VAL 58 - HB2 GLU 95 HG3 LYS 20 - QG1 VAL 32 HD2 LYS 20 - QG1 VAL 32 HD3 LYS 20 - QG1 VAL 32 QG1 VAL 32 - HB3 LYS 40 QG1 VAL 32 - HB ILE 52 QG1 VAL 32 - HB3 LYS 53 Upper QG1 VAL 58 - HB2 ASP 61 2.90 20 0.24 0.33 ++++++++++++++++++*+ peak 9806 QG1 VAL 58 - HG3 GLU 63 QG1 VAL 58 - HG3 GLU 95 QD2 LEU 6 - QG2 VAL 83 QD2 LEU 14 - QG2 VAL 83 QD1 LEU 42 - QG2 VAL 83 HG13 ILE 56 - QG2 VAL 83 QD1 ILE 56 - QG2 VAL 83 Upper QG1 VAL 58 - H LYS 82 4.07 8 0.05 0.33 ++ ++ +* ++ peak 10434 HD2 LYS 40 - HB2 GLU 44 HD2 LYS 40 - HB3 GLU 44 HD3 LYS 40 - HB2 GLU 44 HD3 LYS 40 - HB3 GLU 44 HB2 GLU 44 - HG2 LYS 47 HB3 GLU 44 - HG2 LYS 47 HB2 GLU 35 - HG2 LYS 66 HB2 GLU 35 - HG3 LYS 66 HB3 GLU 17 - HG2 LYS 73 HB2 GLU 35 - HB2 ARG 91 Upper HA ASN 60 - HD2 LYS 82 4.07 20 0.23 0.34 ++++++++++++++++++*+ peak 10581 HD2 LYS 82 - HA VAL 83 Upper HA ASN 60 - HE3 TRP 92 4.41 20 0.60 0.70 ++*+++++++++++++++++ peak 10317 HA TRP 92 - HE3 TRP 92 Upper HB3 ASN 60 - HD22 ASN 60 3.96 18 0.11 0.14 ++++++++*+++++++ ++ peak 6987 Upper HD21 ASN 60 - HB3 GLU 88 5.38 20 0.35 0.78 ++*+++++++++++++++++ peak 9958 HB3 GLU 88 - HD1 TRP 92 HG12 ILE 76 - HA GLU 88 HG12 ILE 76 - HA LYS 90 Upper H ASP 61 - HB3 LEU 64 3.56 9 0.04 0.14 + + ++ + + +* + peak 2981 H ASP 61 - HG LEU 64 H ASP 61 - HG2 LYS 66 H ASP 61 - HG3 LYS 66 HA LEU 64 - QB ALA 67 Upper H ASP 61 - HB3 LEU 64 4.30 19 0.18 0.41 +++++++++++++ ++++*+ peak 10827 H ASP 61 - HG LEU 64 H ASP 61 - HG2 LYS 66 H ASP 61 - HG3 LYS 66 H LYS 13 - H GLN 72 H ILE 15 - H GLN 72 H GLU 17 - H GLN 72 H LYS 39 - H GLN 72 H GLN 72 - H GLU 75 Upper H GLU 62 - HG2 GLU 62 3.63 8 0.02 0.09 ++ + +++* + peak 2755 H GLU 62 - HG3 GLU 62 Upper H GLU 62 - H GLU 63 2.40 20 0.25 0.33 +++++++++++++++*++++ peak 7010 Upper HA GLU 62 - H LEU 64 3.53 9 0.13 0.35 + + ++ + *+ + + peak 8688 H LEU 64 - HA GLU 99 H LEU 64 - HA GLU 104 HA ARG 19 - QD1 LEU 29 QD1 LEU 29 - HA LYS 68 Upper HB2 GLU 62 - H GLU 95 3.34 10 0.05 0.24 ++ ++ + + ++* + peak 7531 HG12 ILE 93 - H GLU 95 HB3 LYS 94 - H GLU 95 H GLU 95 - HB3 GLU 99 Upper HB3 GLU 62 - HB3 ASP 65 4.81 17 0.15 0.28 ++++++*++++ + + ++++ peak 10763 HB2 LEU 64 - HB3 ASP 65 HB2 LEU 64 - HB3 ASP 77 HB3 ASP 65 - HG3 GLU 104 Upper HG2 GLU 62 - HD2 LYS 66 3.83 10 0.06 0.25 * +++ + +++ ++ peak 7524 HG3 GLU 62 - HD2 LYS 66 HG2 GLU 23 - HD3 LYS 94 HG2 GLU 62 - HD3 LYS 94 HG3 GLU 62 - HD3 LYS 94 HA GLU 35 - H GLU 95 HA GLU 43 - H GLU 95 HA ALA 89 - H GLU 95 HA ARG 91 - H GLU 95 H GLU 95 - HA3 GLY 101 Upper H GLU 63 - HB2 GLU 63 3.46 17 0.09 0.12 +++ +++++ *++++ ++++ peak 2772 Upper HA GLU 63 - HG3 GLU 63 3.74 18 0.16 0.46 +++++++++++++++* ++ peak 2767 Upper HB2 GLU 63 - H LEU 64 3.78 13 0.09 0.47 +*++++++ + + ++ + peak 7031 H LEU 64 - HG3 PRO 86 H LEU 64 - HB2 GLU 95 Upper HB2 GLU 63 - HG2 LYS 66 3.38 20 0.51 0.61 ++++++++++++*+++++++ peak 7453 HB2 GLU 63 - HG3 LYS 66 HG2 LYS 66 - HG3 PRO 86 H LYS 90 - H TRP 92 H TRP 92 - H SER 102 Upper HB2 GLU 63 - HG2 LYS 66 4.29 13 0.18 0.45 * + ++++ +++++++ peak 8776 HB2 GLU 63 - HG3 LYS 66 HG2 LYS 66 - HG3 PRO 86 H GLU 35 - HG2 LYS 47 H GLU 35 - HG LEU 57 H GLU 35 - HG2 LYS 66 H GLU 35 - HG3 LYS 66 H GLU 35 - HB2 ARG 91 Upper HB2 GLU 63 - HG2 GLU 95 2.40 6 0.05 0.35 + +++ + * peak 4302 HG2 GLU 23 - HB2 GLU 95 HG2 GLU 62 - HB2 GLU 95 HG3 GLU 62 - HB2 GLU 95 HB2 GLU 95 - HG2 GLU 95 Upper HB3 GLU 63 - QD1 LEU 64 4.18 9 0.09 0.37 + +++ + + *++ peak 10255 QD1 LEU 64 - HB2 LYS 66 QD1 LEU 64 - HB VAL 78 QD1 LEU 64 - HB3 LYS 82 Upper HB3 GLU 63 - QD2 LEU 64 4.01 6 0.04 0.21 + + + + * + peak 10253 QD2 LEU 64 - HB2 LYS 66 QD2 LEU 64 - HB VAL 78 QD2 LEU 64 - HB3 LYS 82 Upper HB3 GLU 63 - H ASP 65 4.66 15 0.12 0.33 ++ +++++* +++ ++++ peak 10766 H ASP 65 - HB2 LYS 66 H ASP 65 - HB VAL 78 Upper HG3 GLU 63 - QD1 ILE 76 3.28 12 0.05 0.27 ++ +++ *++ + + ++ peak 9796 HG3 GLN 72 - QD1 ILE 76 HG2 MET 74 - QD1 ILE 76 QD1 ILE 76 - HG3 GLU 95 HD21 ASN 60 - QG1 VAL 83 QG1 VAL 83 - HD1 TRP 92 Upper HG3 GLU 63 - H LYS 94 5.63 18 0.06 0.15 ++++++ ++*++ +++++++ peak 10035 HG3 GLN 72 - H LYS 94 HG2 MET 74 - H LYS 94 H LYS 94 - HG3 GLU 95 Upper H LEU 64 - QD1 LEU 64 3.78 20 0.59 0.67 +++++++++++++++++++* peak 7040 H LEU 64 - QG1 VAL 78 Upper HA LEU 64 - QD2 LEU 64 3.91 20 0.13 0.18 ++++++*+++++++++++++ peak 2805 Upper HB2 LEU 64 - H LYS 66 3.81 19 0.36 0.52 +++*++++ +++++++++++ peak 7142 H LYS 66 - HB2 GLU 69 H LYS 66 - HB3 GLU 69 H LYS 66 - HB2 PRO 86 H LYS 66 - HB3 PRO 86 HA LYS 68 - H LEU 70 Upper HB2 LEU 64 - H LYS 66 3.56 18 0.14 0.27 ++*++ +++++++++ ++++ peak 10387 H LYS 66 - HB2 GLU 69 H LYS 66 - HB3 GLU 69 H LYS 66 - HB2 PRO 86 H LYS 66 - HB3 PRO 86 HA SER 9 - H ASP 11 H ASP 11 - HA GLU 48 H ASP 11 - HA ILE 76 Upper HB2 LEU 64 - QG2 THR 80 3.91 16 0.15 0.40 ++++++*+++ + ++++ + peak 8737 HB2 LEU 64 - QG2 VAL 83 QD2 LEU 6 - H THR 31 QD1 LEU 14 - H THR 31 H THR 31 - QD1 LEU 42 H THR 31 - QG2 VAL 58 Upper HB3 LEU 64 - H ASP 65 4.02 11 0.04 0.16 * + ++++ + + ++ + peak 2825 HB3 LEU 64 - H GLN 72 Upper HB3 LEU 64 - HB2 PRO 86 4.21 16 0.20 0.48 + ++++++++ ++++ *++ peak 9587 HG LEU 64 - HB2 PRO 86 HG2 LYS 66 - HB2 PRO 86 HG3 LYS 66 - HB2 PRO 86 HB2 PRO 86 - HB2 ARG 91 H LEU 42 - QE MET 74 H LEU 70 - QE MET 74 Upper QD1 LEU 64 - H ASP 65 4.05 20 0.21 0.35 +*++++++++++++++++++ peak 7053 H ASP 65 - QG1 VAL 78 Upper QD1 LEU 64 - H THR 80 3.88 19 0.25 0.48 +++++++++++++++ ++*+ peak 9715 QG1 VAL 78 - H THR 80 H THR 80 - HG3 ARG 81 Upper H ASP 65 - HA LYS 66 3.71 8 0.04 0.21 + * ++ ++ + + peak 2881 HA ARG 46 - H GLU 69 HA LYS 66 - H GLU 69 HA LYS 66 - H GLN 72 Upper H ASP 65 - H ALA 67 3.84 7 0.02 0.10 +++*++ + peak 12320 H ALA 67 - H GLU 69 H ALA 67 - H GLN 72 QD1 LEU 38 - HG2 LYS 68 QD2 LEU 64 - HG2 LYS 68 HG2 LYS 68 - QD1 LEU 103 Upper H ASP 65 - HB2 LYS 68 3.76 15 0.10 0.29 + +++++++ + +*++++ peak 3008 HB2 LYS 68 - H GLU 69 HB2 LYS 68 - H GLN 72 Upper H ASP 65 - HG2 LYS 68 3.57 13 0.05 0.18 ++ *+ + ++++ ++ + + peak 10697 H ASP 65 - HD2 LYS 68 H ASP 65 - HD3 LYS 68 HA GLU 35 - QD2 LEU 57 QD2 LEU 57 - HA GLU 63 QD2 LEU 57 - HB2 SER 85 QD2 LEU 57 - HA ALA 89 QD2 LEU 57 - HA ARG 91 Upper HA ASP 65 - QB ALA 67 4.08 17 0.13 0.25 +++ ++++++ +* ++++++ peak 9037 HA ASP 65 - HG3 LYS 68 QD2 LEU 6 - HA GLU 48 QD1 LEU 14 - HA GLU 48 QD1 LEU 42 - HA GLU 48 HA GLU 48 - QG2 VAL 58 Upper HB2 ASP 65 - H LYS 66 3.32 16 0.15 0.38 +++*+++++++ + + ++ + peak 7066 Upper H LYS 66 - HD2 LYS 66 4.86 11 0.09 0.38 + ++ + +* ++++ + peak 2930 Upper H LYS 66 - HE2 LYS 66 4.47 11 0.20 0.59 + + ++*+ + +++ + peak 2963 H LYS 66 - HE3 LYS 66 Upper HB3 LYS 66 - HD3 LYS 66 3.43 20 0.17 0.31 +++++++++*++++++++++ peak 2904 Upper HB3 LYS 66 - HE2 LYS 66 3.43 14 0.22 0.54 +++++ + ++++ *++ + peak 2955 HB3 LYS 66 - HE3 LYS 66 Upper HE3 LYS 66 - H LYS 68 5.22 10 0.04 0.13 +* + + ++ + +++ peak 7114 H LYS 68 - HE2 LYS 68 H LYS 68 - HE3 LYS 68 Upper HA ALA 67 - H LYS 68 3.33 20 0.15 0.16 ++++++++++++*+++++++ peak 7104 H LYS 68 - HA ALA 71 Upper HA ALA 67 - HA GLU 69 4.20 16 0.13 0.25 ++ +++++++ + +*++++ peak 10831 HA GLU 69 - HA ALA 71 HA ALA 67 - HA LEU 70 HA LEU 70 - HA ALA 71 HA ALA 71 - HA GLU 75 HA ALA 71 - HA GLU 95 Upper HA ALA 67 - HA GLU 95 3.74 20 1.05 1.09 ++++++++++++*+++++++ peak 11014 HA LYS 94 - HA GLU 95 Upper H LYS 68 - HG2 LYS 68 3.15 20 0.48 0.82 +++*++++++++++++++++ peak 7112 H LYS 68 - HD2 LYS 68 H LYS 68 - HD3 LYS 68 Upper H LYS 68 - HA GLU 69 4.64 20 0.46 0.60 ++*+++++++++++++++++ peak 10789 H LYS 68 - HA LEU 70 Upper H LYS 68 - HB2 GLU 69 4.16 12 0.04 0.16 ++++ *+++ + +++ peak 9533 H LYS 68 - HB3 GLU 69 H LYS 68 - HG2 GLU 69 Upper HA LYS 68 - HB3 LYS 68 2.93 6 0.03 0.09 +* + + + + peak 2989 Upper HB2 LYS 68 - H GLU 69 3.16 17 0.68 0.99 ++ +++++++++ +*++++ peak 7124 H GLU 69 - HB3 LYS 90 Upper HB2 LYS 68 - H LYS 90 3.40 19 0.15 0.20 +*+++++++++++++++ ++ peak 3935 H LYS 90 - HB3 LYS 90 HB3 LYS 90 - H SER 102 Upper HB2 LYS 68 - HE2 LYS 90 3.97 6 0.06 0.41 + + + +* + peak 3993 HB3 LYS 90 - HE2 LYS 90 Upper HB3 LYS 68 - HE2 LYS 68 3.64 15 0.08 0.25 ++ * ++ ++++ ++++ ++ peak 3019 HB3 LYS 68 - HE3 LYS 68 Upper HG2 LYS 68 - H GLU 69 3.80 10 0.14 0.60 ++++ ++*++ + peak 7129 HD2 LYS 68 - H GLU 69 HD3 LYS 68 - H GLU 69 Upper HG2 LYS 68 - HE21 GLN 72 3.06 18 0.16 0.39 ++++++++++++ *+ ++++ peak 1780 HD2 LYS 68 - HE21 GLN 72 HD3 LYS 68 - HE21 GLN 72 HB ILE 8 - HA LYS 40 HA LYS 40 - HG LEU 42 HA LYS 40 - HB2 GLU 43 HA LYS 40 - HB2 LYS 94 Upper HG2 LYS 68 - QG2 THR 80 3.43 10 0.05 0.20 ++ + ++ + * + ++ peak 9730 HD2 LYS 68 - QG2 THR 80 HD3 LYS 68 - QG2 THR 80 HB3 ARG 79 - QG2 THR 80 Upper HD2 LYS 68 - HB THR 80 3.30 19 0.30 0.52 +++++++++++++ *+++++ peak 6341 HD3 LYS 68 - HB THR 80 HD3 LYS 68 - HA LYS 90 HA ALA 18 - H ALA 22 Upper H GLU 69 - HB2 GLN 72 3.22 20 0.35 0.37 +*++++++++++++++++++ peak 3191 H GLN 72 - HB2 GLN 72 Upper HA GLU 69 - H LEU 70 3.50 17 0.05 0.07 +++++ ++ + ++++*++++ peak 7144 Upper HB2 GLU 69 - HG LEU 70 3.49 19 0.17 0.32 *++ ++++++++++++++++ peak 10802 HB3 GLU 69 - HG LEU 70 HB2 GLU 69 - HG2 PRO 86 HB3 GLU 69 - HG2 PRO 86 Upper HB2 LEU 70 - H GLU 95 4.52 6 0.05 0.23 ++ + * + + peak 7533 HG3 LYS 94 - H GLU 95 Upper H ALA 71 - HB2 GLN 72 6.29 20 0.14 0.22 ++++++++++*+++++++++ peak 10825 HB2 GLN 72 - H LYS 94 Upper H ALA 71 - HB3 LYS 94 3.52 14 0.03 0.06 +++++ ++ *+ +++ + + peak 4197 H LYS 94 - HB3 LYS 94 Upper QB ALA 71 - HB2 GLN 72 4.81 20 0.38 0.49 +++++++++++++++*++++ peak 10846 Upper QB ALA 71 - HB3 GLN 72 4.69 17 0.18 0.30 +++++ +* + +++++++++ peak 10842 Upper HA GLN 72 - HE22 GLN 72 5.33 6 0.06 0.30 + + *+ + + peak 7189 HE22 GLN 72 - HA LYS 73 Upper HA GLN 72 - H LYS 73 3.47 19 0.05 0.07 +++++++++++ +++*++++ peak 3190 Upper HA GLN 72 - HA MET 74 4.39 20 0.16 0.29 +++++++*++++++++++++ peak 10859 HA LYS 73 - HA MET 74 Upper HB2 GLN 72 - H LYS 73 3.46 20 0.32 0.44 +++*++++++++++++++++ peak 7198 H LYS 73 - HG2 GLU 75 H LYS 73 - HG3 GLU 75 H LYS 73 - HB3 GLU 95 Upper HE22 GLN 72 - H TRP 92 3.88 20 0.18 0.24 +++++++++++*++++++++ peak 7467 H ALA 89 - H TRP 92 H TRP 92 - HE3 TRP 92 Upper H LYS 73 - HD2 LYS 73 3.91 13 0.06 0.25 + +++++++* + ++ + peak 7210 H LYS 73 - HD3 LYS 73 Upper HA LYS 73 - HD2 LYS 73 3.56 20 0.38 0.43 ++*+++++++++++++++++ peak 3234 HA LYS 73 - HD3 LYS 73 Upper HA LYS 73 - HE2 LYS 73 4.14 20 0.09 0.23 +++++++++*++++++++++ peak 3305 HA LYS 73 - HE3 LYS 73 Upper HB2 LYS 73 - HE2 LYS 73 3.30 16 0.04 0.11 +++ +++ + *+ +++++++ peak 3307 HB2 LYS 73 - HE3 LYS 73 HB3 LYS 73 - HE2 LYS 73 HB3 LYS 73 - HE3 LYS 73 Upper HG3 LYS 73 - HD2 LYS 73 2.40 12 0.05 0.10 ++ ++ + +* +++++ peak 3298 HG3 LYS 73 - HD3 LYS 73 Upper H MET 74 - HB3 ASP 77 4.13 20 0.38 0.53 +++++++++++++++++++* peak 3471 HB3 ASP 77 - H VAL 78 Upper HA MET 74 - HG3 MET 74 3.98 9 0.05 0.23 +++ + + + + * + peak 3331 Upper HG3 MET 74 - H VAL 78 4.04 20 0.42 0.57 +++++++++++++*++++++ peak 7276 HB3 ASP 77 - H VAL 78 Upper HA GLU 75 - HB2 GLU 75 2.93 20 0.09 0.09 ++++++++++++++++++*+ peak 3376 Upper HB2 GLU 75 - HG2 GLU 75 2.40 15 0.04 0.07 +++ ++ +++++*+ ++ + peak 3404 HB2 GLU 75 - HG3 GLU 75 Upper HB2 GLU 75 - H ILE 76 3.89 17 0.29 0.51 +++ ++ ++++++*++++ + peak 7249 Upper HB3 GLU 75 - H ILE 76 4.07 20 0.36 0.46 +++++++*++++++++++++ peak 7250 Upper HG12 ILE 76 - H ASP 77 4.96 8 0.05 0.25 ++ *+ + +++ peak 7265 H ASP 77 - HG2 ARG 91 Upper HG12 ILE 76 - H TRP 92 4.63 20 0.23 0.31 +*++++++++++++++++++ peak 7459 HG2 LYS 82 - H TRP 92 HG2 ARG 91 - H TRP 92 Upper HG13 ILE 76 - H TRP 92 3.43 20 0.83 1.00 +++++++++++++++*++++ peak 7460 HG3 ARG 91 - H TRP 92 Upper HA ASP 77 - QG2 VAL 78 4.52 17 0.14 0.29 ++ + +++++++ +*+++++ peak 10902 Upper HB2 ASP 77 - H VAL 78 4.37 11 0.10 0.28 + ++* +++ + ++ + peak 7275 Upper H VAL 78 - HB VAL 78 3.77 10 0.02 0.08 + + +++ ++*+ + peak 3478 Upper HA VAL 78 - QG2 VAL 78 3.10 7 0.02 0.08 ++ + + *+ + peak 3475 Upper HA VAL 78 - HD2 ARG 79 4.88 14 0.14 0.47 + ++ *++++++ ++++ peak 12197 HA VAL 78 - HD3 ARG 79 Upper QG1 VAL 78 - HA ARG 79 4.37 20 0.92 1.01 ++++++++++++*+++++++ peak 10900 QG1 VAL 78 - HA LYS 82 Upper HA ARG 79 - HD2 ARG 79 3.73 6 0.06 0.37 * + + + + + peak 3551 HA ARG 79 - HD3 ARG 79 Upper HA ARG 79 - HB THR 80 4.80 20 0.23 0.33 ++++*+++++++++++++++ peak 11121 HB THR 80 - HA LYS 82 Upper HA ARG 79 - QG2 THR 80 4.37 11 0.10 0.30 ++* +++++ +++ peak 9711 QG2 THR 80 - HA LYS 82 Upper HD2 ARG 79 - QG2 THR 80 5.61 11 0.14 0.35 +++ ++ ++++* + peak 10911 HD3 ARG 79 - QG2 THR 80 Upper H THR 80 - H ARG 81 4.49 19 0.10 0.13 *++++ ++++++++++++++ peak 7308 Upper H ARG 81 - HG3 ARG 81 4.77 16 0.15 0.31 ++ ++ *+ ++++++++++ peak 3610 Upper H ARG 81 - HD3 ARG 81 4.82 14 0.11 0.32 ++ + + ++ ++ +*++++ peak 3628 Upper HB3 ARG 81 - H LYS 82 3.71 18 0.19 0.39 ++ ++++++*++ +++++++ peak 7334 H LYS 82 - HG2 LYS 82 Upper HB3 ARG 81 - HE2 LYS 82 3.94 6 0.03 0.17 + *++ + + peak 3718 HG2 LYS 82 - HE2 LYS 82 Upper HB3 ARG 81 - H VAL 83 3.60 10 0.11 0.37 + + * ++ + + +++ peak 7346 HG2 LYS 82 - H VAL 83 Upper H LYS 82 - HG3 LYS 82 4.21 20 0.33 0.48 +++++++++++*++++++++ peak 7335 Upper H LYS 82 - HD3 LYS 82 5.31 20 0.50 0.61 ++++++*+++++++++++++ peak 7337 Upper H LYS 82 - H VAL 83 4.42 20 0.13 0.18 ++*+++++++++++++++++ peak 7340 Upper HB2 LYS 82 - HD3 LYS 82 3.48 20 0.19 0.45 +++++++++*++++++++++ peak 3655 Upper HB2 LYS 82 - H VAL 83 4.10 20 0.23 0.35 +++++++++++++++*++++ peak 7344 Upper HD2 LYS 82 - H VAL 83 5.06 14 0.21 0.42 ++++ +++ ++ +++ * + peak 7348 Upper HD3 LYS 82 - H VAL 83 5.24 11 0.05 0.21 ++ + + + ++++*+ peak 7349 Upper H VAL 83 - HB VAL 83 3.85 10 0.03 0.09 ++ * + +++ + + + peak 7353 Upper HB VAL 83 - HB3 SER 85 4.69 15 0.14 0.21 +++ ++++ *++++++ + peak 9874 HB3 SER 85 - HB2 PRO 86 HB3 SER 85 - HB3 PRO 86 Upper HB VAL 83 - H ALA 89 3.17 14 0.07 0.32 + +++++*+ + +++++ peak 8794 HB VAL 83 - HE3 TRP 92 HA ILE 8 - H ASP 36 HB THR 34 - H ASP 36 Upper HB VAL 83 - HD1 TRP 92 3.28 10 0.07 0.29 + + +* +++ + + + peak 10433 HB3 PRO 86 - HD1 TRP 92 HB2 LEU 2 - HB3 GLU 17 HB2 LEU 2 - HB2 GLU 35 HG12 ILE 15 - HB3 GLU 17 HB3 GLU 17 - HG3 LYS 20 HB3 GLU 17 - HD2 LYS 20 HB3 GLU 17 - HD3 LYS 20 HB2 GLU 35 - HD3 LYS 66 HB2 GLU 35 - HG LEU 70 HB2 GLU 44 - HG LEU 70 HB3 GLU 44 - HG LEU 70 HB3 GLU 17 - HD3 LYS 90 HB2 GLU 35 - HB3 ARG 91 Upper HB VAL 83 - HD1 TRP 92 4.44 8 0.03 0.16 *+ + + + + + + peak 9882 HB3 PRO 86 - HD1 TRP 92 HB3 LEU 2 - HB2 PRO 86 QB ALA 25 - HB2 PRO 86 QB ALA 67 - HB2 PRO 86 HB2 PRO 86 - QB ALA 89 HB2 PRO 86 - HG2 LYS 94 Upper QG2 VAL 83 - HE1 TRP 92 3.82 20 0.50 0.81 +++++++*++++++++++++ peak 7121 HA LYS 12 - H GLU 69 HA LYS 40 - H GLU 69 HA ALA 67 - H GLU 69 H GLU 69 - HA ALA 71 H GLU 69 - HA LYS 94 Upper QG2 VAL 83 - HZ3 TRP 92 4.06 20 0.42 0.65 *+++++++++++++++++++ peak 8945 QG2 VAL 83 - HZ PHE 96 HG2 LYS 24 - QG1 VAL 32 QG1 VAL 32 - HB2 LEU 103 QG1 VAL 32 - HG LEU 103 Upper HA THR 84 - QG2 THR 84 3.13 9 0.02 0.06 + * ++ ++ +++ peak 3763 Upper HB2 SER 85 - HB2 GLU 88 4.46 15 0.04 0.09 +++ + ++++++++ ++* peak 10307 HB2 GLU 88 - HA ALA 89 HA ALA 89 - HB2 GLU 104 Upper H ASP 87 - HB2 GLU 88 4.90 18 0.33 0.82 +++++++++++++++ *++ peak 9901 H ASP 87 - HB2 LYS 90 Upper HB2 ASP 87 - HA ALA 89 3.58 16 0.17 0.44 +++++ + +++*+++++ + peak 12012 HB3 ASP 87 - HA ALA 89 HB2 ASP 87 - HA ARG 91 HB3 ASP 87 - HA ARG 91 QD1 LEU 14 - QB ALA 18 QB ALA 18 - QD1 LEU 42 QD1 LEU 14 - QG2 THR 84 Upper HB2 ASP 87 - HA ALA 89 3.13 19 0.20 0.61 +++++*++++++ +++++++ peak 12031 HB3 ASP 87 - HA ALA 89 HB2 ASP 87 - HA ARG 91 HB3 ASP 87 - HA ARG 91 QD2 LEU 14 - QB ALA 18 Upper HA GLU 88 - HA ALA 89 4.39 20 0.09 0.12 +++++++++++*++++++++ peak 10970 HA GLU 88 - HA ARG 91 Upper HB2 GLU 88 - H ALA 89 3.57 19 0.31 0.44 ++++++++++++++++ *++ peak 7402 H ALA 89 - HB2 LYS 90 Upper HB2 GLU 88 - HE2 LYS 90 3.84 9 0.09 0.38 ++ +* + + + ++ peak 3992 HB2 LYS 90 - HE2 LYS 90 Upper HB2 GLU 88 - HD1 TRP 92 3.34 18 0.24 0.39 *++++++++ +++ ++++++ peak 9929 HD1 TRP 92 - HB2 GLU 104 QD2 LEU 2 - HA ALA 89 QD2 LEU 57 - HA ALA 89 QD1 ILE 76 - HA ALA 89 Upper H ALA 89 - H ARG 91 2.72 20 0.86 1.07 +++++++++++*++++++++ peak 7429 H ARG 91 - HE3 TRP 92 Upper H LYS 90 - HE2 LYS 90 5.20 7 0.07 0.40 + ++ + * + + peak 7423 Upper HA LYS 90 - HG2 LYS 90 3.54 6 0.05 0.45 ++ + + + * peak 3915 Upper HA LYS 90 - HG3 LYS 90 3.80 9 0.08 0.29 + +*+ + + ++ + peak 3916 Upper HB2 LYS 90 - HE3 LYS 90 4.00 19 0.24 0.40 ++*++++++++ ++++++++ peak 4003 Upper HB3 LYS 90 - HD2 LYS 90 3.60 15 0.33 0.57 +++ + *+++++++ +++ peak 3971 Upper HB3 LYS 90 - HE3 LYS 90 4.33 12 0.15 0.43 *+ ++ +++ +++ ++ peak 4004 Upper HG2 LYS 90 - HE3 LYS 90 3.61 6 0.03 0.29 *+ ++ ++ peak 4005 Upper HB2 ARG 91 - HG2 ARG 91 2.87 13 0.08 0.13 + *++ ++ +++ +++ + peak 4046 Upper HB2 ARG 91 - HD2 ARG 91 3.60 9 0.06 0.20 + + + + ++ + +* peak 4064 Upper HB2 ARG 91 - HD3 ARG 91 3.54 6 0.04 0.14 * + + + ++ peak 4073 Upper H TRP 92 - HB2 TRP 92 3.37 6 0.06 0.21 +* + ++ + peak 7464 H TRP 92 - HB2 PHE 96 Upper H ILE 93 - H SER 97 4.14 10 0.04 0.12 ++ + + * + + ++ + peak 9485 H GLU 95 - H SER 97 HE2 LYS 39 - HG LEU 64 HE3 LYS 39 - HG LEU 64 HB2 ASN 60 - HG LEU 64 HG LEU 64 - HE2 LYS 66 Upper QG2 ILE 93 - HB3 PHE 96 4.30 16 0.11 0.23 +++++ +++ +*++++ + + peak 10036 HG13 ILE 93 - HB3 PHE 96 QD1 ILE 93 - HB3 PHE 96 HA THR 34 - HG2 GLU 62 HA THR 34 - HG3 GLU 62 HA THR 34 - HG2 GLU 95 Upper H LYS 94 - HE2 LYS 94 4.68 6 0.08 0.30 ++ + + + * peak 7520 H LYS 94 - HE3 LYS 94 Upper HA LYS 94 - HG2 LYS 94 3.67 14 0.31 0.50 +++++ ++ ++ ++* + + peak 4209 Upper HA LYS 94 - HD2 LYS 94 4.23 9 0.12 0.50 + + + +* ++ + + peak 4231 Upper HA LYS 94 - HD3 LYS 94 4.40 9 0.07 0.31 +++ + *++++ peak 4242 Upper HB3 LYS 94 - HD2 LYS 94 3.67 7 0.07 0.28 + + ++* + + peak 4233 Upper HG2 LYS 94 - HD2 LYS 94 2.93 6 0.02 0.09 ++++ + * peak 4234 Upper HG3 LYS 94 - HD2 LYS 94 2.88 11 0.03 0.08 +++ + *++++ ++ peak 4235 Upper H PHE 96 - HD1 PHE 96 4.04 20 0.16 0.19 ++++++++++++++*+++++ peak 7559 H PHE 96 - HD2 PHE 96 Upper H PHE 96 - H LEU 103 4.03 12 0.10 0.33 + + + +++ +*+++ + peak 7654 H SER 97 - H LEU 103 H LEU 103 - H GLU 104 Upper HA PHE 96 - HE1 PHE 96 4.26 19 0.35 0.50 ++++++ +*+++++++++++ peak 11016 HA PHE 96 - HE2 PHE 96 Upper HB3 PHE 96 - H SER 97 3.95 6 0.02 0.12 * + +++ + peak 7572 Upper HA SER 97 - HB3 SER 97 2.93 16 0.06 0.10 +++ + +++*++++ ++ ++ peak 4346 Upper HB2 SER 97 - H GLU 98 3.64 11 0.06 0.21 ++ *+ +++ + + ++ peak 7588 Upper HG3 GLU 98 - H GLU 99 4.01 8 0.03 0.10 + + + * +++ + peak 7607 Upper HB2 LEU 103 - H GLU 104 3.79 11 0.19 0.56 +++*+++ + ++ + peak 7660 HG LEU 103 - H GLU 104 Upper HB3 LEU 103 - QD2 LEU 103 2.99 12 0.11 0.20 + +++++++ + + + * peak 4501 VdW CG MET 1 - C MET 1 2.90 10 0.15 0.24 +++ ++* ++ ++ VdW CG MET 1 - N LEU 2 3.05 6 0.11 0.31 +* + + + + VdW CG MET 1 - O ASN 51 2.90 6 0.11 0.41 + ++ + + * VdW H LEU 2 - CD2 LEU 2 2.55 7 0.12 0.37 * + + + + ++ VdW O VAL 5 - CD2 LEU 6 2.90 6 0.16 0.27 + *+ + ++ VdW O VAL 5 - HA LEU 29 2.30 20 0.41 0.50 +++*++++++++++++++++ VdW N LEU 6 - O LEU 55 2.75 19 0.32 0.48 +++++++++ *+++++++++ VdW CG2 ILE 7 - C ILE 7 2.90 20 0.29 0.31 +++++*++++++++++++++ VdW CD1 LEU 14 - O SER 85 2.90 8 0.20 0.27 * + + + ++ + + VdW N LYS 20 - HG2 LYS 20 2.45 10 0.18 0.34 ++++ +*+ + + + VdW H LYS 20 - CG LYS 20 2.55 12 0.21 0.37 ++++ +++ ++ +*+ VdW H LYS 20 - HG2 LYS 20 1.95 10 0.24 0.51 ++++ +*+ + + + VdW O ALA 25 - CB ASN 26 2.90 19 0.30 0.40 ++++ +++++++++++*+++ VdW CD1 LEU 29 - C LEU 29 3.10 6 0.09 0.25 * + + + + + VdW N VAL 32 - CG2 VAL 32 2.85 7 0.15 0.23 *+ +++ + + VdW H GLU 37 - CG GLU 37 2.55 9 0.18 0.40 +++* + +++ + VdW H GLU 37 - HG2 GLU 37 1.95 8 0.15 0.37 +++* + +++ VdW HA LEU 38 - CD1 LEU 38 2.60 8 0.15 0.46 + + +++ + *+ VdW O LEU 38 - HG LEU 42 2.30 11 0.22 0.43 ++ + + +* +++ ++ VdW N TYR 41 - HD1 TYR 41 2.45 7 0.09 0.32 + +++ + +* VdW N PHE 45 - CD2 PHE 45 3.05 9 0.14 0.28 + *++ ++ +++ VdW HB3 PHE 45 - CD1 ILE 52 2.60 8 0.15 0.32 + + ++ + * ++ VdW CG ARG 46 - C ARG 46 2.90 8 0.11 0.23 +++ + +* + + VdW N GLU 48 - CG GLU 48 2.85 6 0.11 0.20 + *+ + ++ VdW H GLU 48 - CG GLU 48 2.55 6 0.12 0.25 *+ +++ + VdW HA LEU 57 - O ARG 81 2.30 9 0.18 0.28 + + + + + ++*+ VdW HB VAL 58 - HB2 GLU 63 2.00 17 0.26 0.34 +++++++++ +++ + +*++ VdW CG GLU 62 - C GLU 62 2.90 11 0.18 0.22 +++++*++ + ++ VdW H GLU 63 - HG2 GLU 63 1.95 13 0.21 0.45 ++ + ++ *++ +++ ++ VdW HG LEU 64 - C LEU 64 2.50 17 0.29 0.41 ++++++++++* + + ++++ VdW O LYS 66 - HG LEU 70 2.30 13 0.26 0.37 +++++ + ++* ++ ++ VdW CG LYS 68 - C LYS 68 2.90 9 0.12 0.24 +++++ ++*+ VdW CA LEU 70 - CD2 LEU 70 3.00 6 0.11 0.23 *+ + + + + VdW N MET 74 - HG2 MET 74 2.45 8 0.16 0.32 + + +* ++ + + VdW H MET 74 - CG MET 74 2.55 8 0.20 0.35 + +++ + ++ * VdW H MET 74 - HG2 MET 74 1.95 14 0.25 0.45 *++ ++ ++ +++ + ++ + VdW CG2 VAL 78 - C VAL 78 2.90 17 0.24 0.28 ++ + +++++++ ++*++++ VdW HA ARG 81 - CD ARG 81 2.60 12 0.19 0.38 ++ + + * ++ ++++ + VdW HB VAL 83 - HB2 GLU 88 2.00 9 0.19 0.32 + + + +++ + * + VdW CB SER 85 - HD2 PRO 86 2.60 12 0.24 0.39 + +++ ++ + + *+++ VdW O ASP 87 - N ARG 91 2.75 20 0.32 0.43 +*++++++++++++++++++ VdW O ASP 87 - H ARG 91 1.80 13 0.24 0.37 ++ +*+ + + + +++++ VdW O ASP 87 - CB ARG 91 2.90 14 0.22 0.31 +* +++++ + + ++++ + VdW O ASP 87 - HB2 ARG 91 2.30 6 0.17 0.26 ++ + + +* VdW O ASP 87 - HG3 ARG 91 2.30 9 0.15 0.35 + + + *+ +++ + VdW O GLU 88 - CG TRP 92 2.90 20 0.53 0.58 +++++++++*++++++++++ VdW O GLU 88 - CD2 TRP 92 2.90 8 0.18 0.30 + + + +++ * + VdW O ARG 91 - HG2 LYS 94 2.30 8 0.12 0.31 ++ ++ + + * + VdW CG2 ILE 93 - C ILE 93 2.90 12 0.19 0.26 +++++ + ++ +++ * Angle PSI LEU 2 108.00 156.00 7 4.91 16.13 * + +++ + + Angle PHI ILE 8 -129.00 -65.00 13 6.02 10.44 ++ ++ +++*+ ++++ Angle PSI ILE 8 106.00 178.00 20 22.35 26.33 ++++*+++++++++++++++ Angle PSI GLU 16 -52.00 -32.00 10 4.98 8.40 + * + ++ ++ +++ Angle PSI LEU 27 125.00 177.00 16 6.82 10.07 ++*+++++ ++++++ + + Angle PHI LEU 29 -137.00 -85.00 12 5.97 11.15 * ++++++ ++ + + + Angle PSI ARG 30 106.00 170.00 10 4.98 7.73 +* ++++ + + + + Angle PHI ILE 52 -169.00 -93.00 8 5.43 12.95 + +* + + ++ + Angle PSI LEU 55 89.00 137.00 9 5.50 16.02 + + * ++ ++ + + Angle PSI LEU 57 116.00 188.00 20 13.85 24.94 +++++++++++++*++++++ Angle PSI VAL 58 134.00 178.00 12 5.59 11.03 + + ++ ++ +++*++ Angle PSI LYS 66 -52.00 -32.00 11 5.37 8.74 ++ + +++ + +*+ + Angle PHI ALA 71 -71.00 -51.00 8 4.79 9.50 + + * +++ + + Angle PSI ASP 77 87.00 139.00 13 6.76 12.23 + + ++ + +++++ +* + Angle PSI VAL 78 117.00 165.00 7 3.87 7.82 + + ++*+ + Angle PHI LYS 82 -114.00 -86.00 15 6.87 12.28 ++++ +++++ *+++ + + Angle PHI ASP 87 -78.00 -54.00 10 4.81 8.42 + + +++ ++ ++* Angle PSI GLU 88 -59.00 -31.00 13 6.12 11.15 +++ + + +++ +* +++ Angle PHI ALA 89 -71.00 -47.00 20 17.10 24.48 ++++++++++++*+++++++ Angle PSI TRP 92 -50.00 -26.00 6 3.68 11.15 ++ + * + + 1124 violated distance restraints. 49 violated van der Waals restraints. 20 violated angle restraints. RMSDs for residues 2..98: Average backbone RMSD to mean : 0.46 +/- 0.07 A (0.34..0.66 A; 20 structures) Average heavy atom RMSD to mean : 0.93 +/- 0.09 A (0.79..1.17 A; 20 structures)