Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 51.04 537 0.0306 1.24 20 25.5 0.39 4 1.8819 12.12 2 51.49 536 0.0307 1.23 20 26.7 0.42 5 1.9626 12.86 3 52.62 522 0.0311 1.24 23 27.0 0.38 5 1.9296 12.99 4 52.89 549 0.0310 1.14 27 27.6 0.45 7 1.9441 13.04 5 52.90 562 0.0312 1.21 23 26.7 0.38 3 1.5014 10.65 6 53.32 550 0.0308 1.22 25 29.6 0.44 4 1.7814 12.16 7 53.45 533 0.0307 1.38 31 31.8 0.42 7 2.0858 13.28 8 53.68 549 0.0313 1.29 23 27.4 0.41 7 2.1518 14.84 9 54.32 551 0.0316 1.18 19 28.6 0.42 6 1.8824 10.49 10 54.55 528 0.0313 1.28 30 30.8 0.38 5 2.0701 12.83 11 54.60 547 0.0311 1.20 29 30.5 0.45 4 1.9382 12.61 12 54.60 540 0.0314 1.24 28 29.3 0.45 6 2.2073 13.71 13 54.67 533 0.0316 1.26 27 28.7 0.33 6 1.8594 11.11 14 55.18 547 0.0318 1.26 23 27.8 0.38 6 1.9708 10.33 15 55.31 544 0.0315 1.25 31 30.4 0.44 7 1.9502 10.60 16 55.38 525 0.0316 1.23 30 29.5 0.39 7 1.9577 11.62 17 55.59 544 0.0319 1.29 25 29.3 0.43 6 1.8798 10.99 18 55.63 556 0.0319 1.27 23 28.0 0.42 4 1.7901 10.49 19 55.78 555 0.0316 1.15 29 32.6 0.33 6 2.0380 13.22 20 55.92 551 0.0319 1.17 28 29.0 0.44 6 1.9412 13.15 Ave 54.15 543 0.0313 1.24 26 28.8 0.41 6 1.9362 12.16 +/- 1.39 11 0.0004 0.05 4 1.8 0.04 1 0.1454 1.26 Min 51.04 522 0.0306 1.14 19 25.5 0.33 3 1.5014 10.33 Max 55.92 562 0.0319 1.38 31 32.6 0.45 7 2.2073 14.84 Cut 0.02 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper HA THR 5 - HB THR 5 2.50 19 0.28 0.35 ++*++++ ++++++++++++ peak 33 Upper HA THR 5 - HA VAL 6 4.45 18 0.04 0.10 ++ ++++++*+ ++++++++ peak 8669 Upper HA THR 5 - HB VAL 6 4.39 19 0.07 0.14 +++++++++++*+ ++++++ peak 8661 HA THR 5 - HB2 LYS 31 HA THR 5 - HB2 GLN 72 Upper HA THR 5 - QG1 VAL 6 3.21 20 0.16 0.22 +++++++++++++*++++++ peak 8660 HA THR 5 - QG2 VAL 6 Upper HB THR 5 - QG1 VAL 6 4.14 16 0.04 0.08 ++++++ +*++++ ++++ peak 8659 HB THR 5 - QG2 VAL 6 Upper QG2 THR 5 - HA VAL 6 4.57 20 0.16 0.40 +++++++*++++++++++++ peak 8666 HA VAL 6 - QG2 THR 8 HA VAL 6 - HB2 LEU 51 HA VAL 6 - HG LEU 51 HA VAL 6 - HD3 LYS 98 Upper H VAL 6 - HB VAL 6 3.21 18 0.13 0.20 ++ ++++*+ ++++++++++ peak 6031 Upper HA VAL 6 - HG2 GLU 56 4.00 7 0.03 0.19 * + + + +++ peak 11180 HB THR 8 - HG2 GLU 56 HA ASP 53 - HG2 GLU 56 HG2 GLU 56 - HA LYS 58 HG2 GLU 56 - HA GLU 110 QD1 ILE 11 - HB3 LYS 84 QD1 ILE 23 - HB3 LYS 84 HB3 LEU 55 - HB3 LYS 58 HB3 LYS 84 - QD2 LEU 109 Upper HA VAL 6 - H ALA 57 3.77 18 0.15 0.28 ++++++++++++ +++++* peak 6729 HA ASP 53 - H ALA 57 H ALA 57 - HA LYS 58 H ALA 57 - HA GLU 110 Upper H HIS 7 - HB THR 8 3.73 18 0.14 0.27 ++++++++* +++++ ++++ peak 100 HB THR 8 - H SER 9 HB THR 8 - H ILE 28 Upper H THR 8 - QG2 THR 8 3.64 15 0.09 0.21 +++ +++* ++ ++ ++++ peak 6056 H THR 8 - HB2 LEU 51 Upper H THR 8 - QD2 LEU 51 4.31 6 0.06 0.46 + + *+ + + peak 1481 QD2 LEU 51 - H LYS 52 QD2 LEU 51 - H ASN 87 QD2 LEU 51 - H LEU 109 Upper H THR 8 - HB3 ASN 71 3.63 20 0.42 0.55 +++++++*++++++++++++ peak 3390 H THR 8 - HB3 ASN 87 H GLN 50 - HB3 ASN 87 HB3 ASN 71 - H LYS 88 HB3 ASN 87 - H LYS 88 Upper H THR 8 - HB2 ASN 87 3.44 20 0.61 0.74 +++++++*++++++++++++ peak 3383 H GLN 50 - HB2 ASN 87 HB2 ASN 87 - H LYS 88 Upper HA THR 8 - HB THR 8 2.92 17 0.07 0.10 +++ +++++++ +++++*+ peak 97 Upper HA THR 8 - HB2 SER 9 4.44 13 0.15 0.26 +++* ++ ++ + ++ ++ peak 8684 HA THR 8 - HB3 SER 9 HA THR 8 - HB3 SER 34 Upper HA THR 8 - H PHE 10 4.14 20 0.50 0.54 +++++++++++++++++*++ peak 8725 H PHE 10 - HA ILE 11 H PHE 10 - HB THR 37 H PHE 10 - HA ASN 71 Upper HA THR 8 - QD1 ILE 11 3.62 20 0.40 0.49 ++++++++++++*+++++++ peak 186 HA ILE 11 - QD1 ILE 11 Upper HA THR 8 - QD1 ILE 28 4.03 19 0.13 0.41 +++++++++ +++*++++++ peak 8446 HA ILE 11 - QD1 ILE 28 HA ILE 11 - QD1 ILE 90 QG2 THR 8 - HD21 ASN 68 HB2 LEU 51 - HD21 ASN 68 HG LEU 51 - HD21 ASN 68 Upper HA THR 8 - QG2 VAL 29 4.22 8 0.04 0.25 + + + + ++*+ peak 11260 HA ILE 11 - QG2 VAL 29 QG2 VAL 29 - HA ASN 71 H ASN 20 - HE21 GLN 96 HE22 GLN 86 - HE21 GLN 96 HE21 GLN 96 - QD PHE 99 HE21 GLN 96 - QE PHE 104 Upper QG2 THR 8 - HA SER 9 3.91 6 0.02 0.09 + + *+ + + peak 10280 Upper QG2 THR 8 - H PHE 10 3.52 20 0.52 0.67 +++++++++++++++++*++ peak 8042 H PHE 10 - HG12 ILE 11 Upper QG2 THR 8 - H LEU 12 3.97 20 0.72 0.77 ++++++++++++*+++++++ peak 6099 HG12 ILE 11 - H LEU 12 H LEU 12 - QG2 THR 33 H LEU 12 - HB3 GLN 50 Upper QG2 THR 8 - HB2 GLN 27 3.07 15 0.13 0.35 ++++++++++ +*++ + peak 9105 QG2 THR 8 - HB3 GLN 27 HB2 LEU 51 - HB VAL 69 HG LEU 51 - HB VAL 69 HG12 ILE 28 - QG2 THR 33 Upper H SER 9 - H PHE 10 3.41 20 0.53 0.65 +++++++++++++++++++* peak 6066 H SER 9 - H VAL 29 H SER 9 - H LEU 70 H GLU 56 - H LEU 70 Upper H SER 9 - H PHE 10 3.31 20 0.33 0.45 +++++++++++*++++++++ peak 6068 H PHE 10 - H ILE 28 H PHE 10 - H ILE 67 Upper H SER 9 - H ILE 11 3.42 6 0.02 0.09 *+ + + ++ peak 8228 H ILE 11 - H ILE 28 H ILE 11 - H ILE 67 H LEU 12 - H SER 34 H TRP 16 - H SER 34 H GLN 27 - H SER 34 Upper H SER 9 - QG2 ILE 11 3.50 20 0.24 0.37 +++++++++++++++++*++ peak 8687 QG2 ILE 11 - H VAL 14 QG2 ILE 11 - H ILE 28 QG2 ILE 11 - H ILE 67 HA THR 8 - QD1 ILE 11 HA THR 8 - QG1 VAL 29 HA THR 8 - QG2 VAL 29 Upper H SER 9 - QD1 ILE 28 3.50 10 0.09 0.26 +++ +++ * ++ + peak 783 H ILE 28 - QD1 ILE 28 H ILE 28 - QD1 ILE 90 Upper H SER 9 - H VAL 29 3.95 20 0.10 0.24 +++++++++++++++++++* peak 6366 H ILE 28 - H VAL 29 H VAL 29 - H ILE 67 Upper HA SER 9 - HB2 PHE 10 3.96 20 0.61 0.68 ++++*+++++++++++++++ peak 9425 HB2 PHE 10 - HA ASN 68 HE3 LYS 52 - HA ASN 68 HE3 LYS 52 - HA LYS 88 HE3 LYS 84 - HA LYS 88 Upper HA SER 9 - QG2 ILE 28 3.26 9 0.03 0.15 *+ +++ + + + + peak 8337 HA VAL 21 - QG2 ILE 28 QG2 ILE 28 - HA2 GLY 32 QG2 ILE 23 - HA LYS 88 QE PHE 40 - HG3 GLU 54 HZ PHE 40 - HG3 GLU 54 HG3 GLU 54 - HE22 GLN 72 HG3 GLU 54 - QE PHE 99 Upper HA SER 9 - HG12 ILE 28 4.59 11 0.11 0.52 ++ ++ +++ +*++ peak 10103 HA VAL 21 - HG12 ILE 28 QD PHE 40 - HG3 GLU 94 QE PHE 40 - HG3 GLU 94 HZ PHE 40 - HG3 GLU 94 HZ PHE 40 - HG2 GLU 101 HZ PHE 40 - HG3 GLU 101 Upper HA SER 9 - QD1 ILE 28 3.35 20 0.19 0.29 +*++++++++++++++++++ peak 6657 HA SER 9 - QD1 ILE 90 HA VAL 21 - QD1 ILE 28 HA VAL 21 - QD1 ILE 90 QD1 ILE 28 - HA2 GLY 32 H ASP 18 - HA GLN 50 HA GLN 50 - H ASP 53 H ASP 53 - HA LEU 55 H ASP 53 - HA LEU 83 Upper HA SER 9 - QD1 ILE 28 3.44 9 0.05 0.32 + ++* ++ +++ peak 9521 HA SER 9 - QD1 ILE 90 HA VAL 21 - QD1 ILE 28 HA VAL 21 - QD1 ILE 90 QD1 ILE 28 - HA2 GLY 32 HB2 TRP 48 - HG2 GLU 56 HE3 LYS 52 - HG2 GLU 56 HG2 GLU 56 - HD2 ARG 66 HG2 GLU 56 - HG2 GLN 81 HG2 GLU 56 - HB2 ASN 108 Upper HB2 SER 9 - QE PHE 10 4.38 20 0.70 0.94 ++++++++++++++++*+++ peak 8700 HB3 SER 9 - QE PHE 10 HB2 SER 9 - H PHE 99 HB3 SER 9 - H PHE 99 Upper HB2 SER 9 - HE21 GLN 27 4.70 12 0.09 0.33 + ++ + +++ ++ ++ * peak 10895 HB3 SER 9 - HE21 GLN 27 HE21 GLN 27 - HB3 SER 34 HE21 GLN 27 - HD2 PRO 35 HE21 GLN 27 - HA GLU 63 HE21 GLN 27 - HD3 PRO 100 HB2 PRO 35 - HG2 ARG 44 HB2 PRO 35 - HG3 ARG 44 HG2 ARG 44 - HG3 GLN 89 HG3 ARG 44 - HG3 GLN 89 HG2 ARG 44 - HG3 GLN 96 HG3 ARG 44 - HG3 GLN 96 Upper HB2 SER 9 - HA ILE 28 2.85 19 0.49 0.66 ++++++++++++++ *++++ peak 10929 HB3 SER 9 - HA ILE 28 QD1 LEU 17 - QG1 VAL 76 QG2 ILE 28 - QG2 THR 74 QG2 ILE 28 - QG1 VAL 76 QD2 LEU 36 - QG1 VAL 76 HG2 LYS 52 - QG1 VAL 76 QG1 VAL 76 - QG2 VAL 102 Upper HB2 SER 9 - QD1 ILE 28 3.25 7 0.05 0.22 + ++ *+ + + peak 9800 HB3 SER 9 - QD1 ILE 28 HB2 SER 9 - QG2 VAL 29 HB3 SER 9 - QG2 VAL 29 HA ILE 11 - QG2 VAL 69 HA ASP 18 - QG2 VAL 69 HA TYR 39 - QG2 VAL 69 HA ASP 65 - QG2 VAL 69 Upper HB2 SER 9 - QD1 ILE 28 2.96 7 0.08 0.35 + ++ ++ + * peak 8218 HB3 SER 9 - QD1 ILE 28 HB2 ASP 26 - QG2 THR 33 HB3 ASP 26 - QG2 THR 33 Upper HB2 SER 9 - QG1 VAL 29 3.50 7 0.04 0.22 ++++ + +* peak 10828 HB3 SER 9 - QG1 VAL 29 QG1 VAL 29 - HB3 SER 34 HE21 GLN 27 - QG1 VAL 102 HZ3 TRP 80 - QG1 VAL 102 QG1 VAL 102 - QD PHE 104 Upper HB2 SER 9 - HB3 ARG 66 3.71 12 0.07 0.27 *+ ++ + ++++ + ++ peak 9465 HB3 SER 9 - HB3 ARG 66 HA GLN 50 - HB3 ARG 66 HA LEU 55 - HB3 ARG 66 HA GLU 63 - HB3 ARG 66 HB3 ARG 66 - HB3 PHE 79 HB3 ARG 66 - HA LEU 83 HB3 ARG 66 - HA GLN 96 HG2 GLU 54 - HE2 LYS 58 HG2 GLU 54 - HB2 ASN 78 HG2 GLU 75 - HB2 ASN 78 HG2 GLU 54 - HE2 LYS 88 HG2 GLU 54 - HE3 LYS 88 Upper HB3 SER 9 - HD2 ARG 66 3.23 13 0.12 0.38 + ++ +++*+ ++ + + + peak 11217 HA LEU 55 - HD2 ARG 66 HA GLU 63 - HD2 ARG 66 HD2 ARG 66 - HA GLN 96 HG13 ILE 11 - QG1 VAL 69 HB3 LYS 52 - QG1 VAL 69 HD3 LYS 58 - QG1 VAL 69 QB ALA 64 - QG1 VAL 69 QG1 VAL 69 - HG3 LYS 84 QG1 VAL 69 - HD3 LYS 84 Upper H PHE 10 - HB3 PHE 10 3.18 20 0.71 0.76 +++++++++++++*++++++ peak 6074 H PHE 10 - HB2 PHE 40 H PHE 10 - HB3 ASP 65 H PHE 10 - HG3 GLN 72 Upper H PHE 10 - QE PHE 10 4.33 20 0.38 0.49 +++++++*++++++++++++ peak 8726 H PHE 10 - HZ3 TRP 60 H PHE 10 - HH2 TRP 60 H PHE 10 - HZ PHE 79 H PHE 10 - H PHE 99 Upper H PHE 10 - H ILE 11 3.88 20 0.46 0.50 +++++++++++++++++*++ peak 6078 H PHE 10 - H ASP 26 H PHE 10 - H ASN 71 Upper H PHE 10 - QG2 ILE 11 4.64 15 0.12 0.37 +++ ++* ++++ +++++ peak 8737 QG2 ILE 11 - H VAL 29 QG2 ILE 11 - H LEU 70 Upper H PHE 10 - QD1 ILE 11 4.16 18 0.11 0.30 +++++ ++++*+++ +++++ peak 8709 H PHE 10 - QG2 ILE 28 H PHE 10 - QD2 LEU 36 H PHE 10 - QG2 VAL 69 Upper H PHE 10 - QD1 ILE 11 4.48 20 0.28 0.52 +++++++++++++*++++++ peak 8908 QD1 ILE 11 - H VAL 29 QD1 ILE 11 - H LEU 70 Upper H PHE 10 - QG1 VAL 25 3.73 12 0.21 0.72 +++ +++ +*+ ++ + peak 10486 H PHE 10 - HG13 ILE 28 H PHE 10 - HG3 LYS 52 HG LEU 12 - HA ASN 71 HA ASN 71 - QB ALA 73 Upper H PHE 10 - QG1 VAL 25 3.78 11 0.13 0.49 +++ +++ +* ++ + peak 8980 H PHE 10 - HG13 ILE 28 H PHE 10 - HG3 LYS 52 H GLN 27 - HB THR 33 H GLN 27 - HA LEU 70 Upper H PHE 10 - HB2 GLN 27 3.51 20 0.43 0.53 ++++++++++++++++++*+ peak 2181 H PHE 10 - HB3 GLN 27 H PHE 10 - HB VAL 69 HB VAL 69 - H LEU 70 Upper H PHE 10 - QG1 VAL 29 3.40 20 0.59 0.62 ++++++++++++++++*+++ peak 809 H VAL 29 - QG1 VAL 29 QG1 VAL 29 - H LEU 70 Upper H PHE 10 - QG2 THR 33 2.99 6 0.04 0.19 + + + ++ * peak 9393 H VAL 29 - QG2 THR 33 QG2 THR 33 - H LEU 70 HD2 LYS 13 - HE21 GLN 50 HD3 LYS 13 - HE21 GLN 50 QB ALA 45 - HE21 GLN 50 HE21 GLN 50 - HG3 LYS 58 Upper H PHE 10 - QG2 THR 33 3.27 6 0.09 0.78 ++ ++ * + peak 11201 H VAL 29 - QG2 THR 33 QG2 THR 33 - H LEU 70 H ILE 23 - QD2 LEU 83 H GLU 63 - QD2 LEU 83 QD2 LEU 83 - H ASN 85 QD2 LEU 83 - H ILE 90 Upper H PHE 10 - H SER 34 3.90 8 0.03 0.14 *+ +++++ + peak 9081 H VAL 29 - H SER 34 H THR 33 - H SER 34 H SER 34 - H LEU 70 Upper H PHE 10 - QG2 ILE 67 4.19 9 0.05 0.25 + +++ + ++* + peak 9143 H VAL 29 - QG2 ILE 67 QG2 ILE 67 - H LEU 70 H ASP 26 - QD1 LEU 36 H SER 34 - QD1 LEU 36 Upper H PHE 10 - H ASN 68 3.34 12 0.08 0.23 ++ ++ +++ *+ +++ peak 9393 H VAL 29 - H ASN 68 HE3 TRP 42 - H ASN 68 H ASN 68 - H LEU 70 H ASN 68 - H PHE 79 HD2 LYS 13 - HE21 GLN 50 HD3 LYS 13 - HE21 GLN 50 QB ALA 45 - HE21 GLN 50 HE21 GLN 50 - HG3 LYS 58 Upper H PHE 10 - HB2 ASN 68 3.81 20 0.23 0.36 +++*++++++++++++++++ peak 9113 H PHE 10 - HB3 ASN 68 HB2 ASN 68 - H LEU 70 HB3 ASN 68 - H LEU 70 H LEU 12 - HB THR 33 H TRP 16 - HB THR 33 H GLN 27 - HB THR 33 Upper H PHE 10 - QG1 VAL 69 3.29 18 0.16 0.30 ++++++++++ ++++*++ + peak 2193 QG1 VAL 69 - H LEU 70 Upper H PHE 10 - QD2 LEU 70 3.63 7 0.04 0.17 ++ + + + * + peak 2230 H LEU 70 - QD2 LEU 70 Upper HA PHE 10 - HB ILE 11 3.95 20 0.77 1.05 ++++++++++++*+++++++ peak 8059 HB ILE 11 - HA ASP 26 Upper HA PHE 10 - QG2 ILE 11 3.76 20 0.85 1.04 +++++++++++*++++++++ peak 8060 QG2 ILE 11 - HA ASP 26 Upper HA PHE 10 - HG2 GLN 27 4.81 10 0.13 0.46 ++++* + ++ ++ peak 9005 HA ASP 26 - HG2 GLN 27 Upper HA PHE 10 - HG3 GLN 27 4.69 15 0.31 0.55 +++++*+ ++ ++++++ peak 9006 HA PHE 10 - HB VAL 102 HA ASP 26 - HG3 GLN 27 HA ASP 26 - HB VAL 102 Upper HA PHE 10 - QD1 LEU 36 3.81 12 0.04 0.13 + + ++++ + +*+ ++ peak 6891 HA ASP 26 - QD1 LEU 36 H THR 37 - H ASN 68 H ALA 47 - H ASN 68 HE22 GLN 49 - H ASN 68 H ARG 66 - H ASN 68 Upper HB2 PHE 10 - HZ PHE 10 4.18 11 0.13 0.43 +++* ++ ++ ++ + peak 9446 HZ PHE 10 - HE3 LYS 52 HE3 TRP 48 - HE3 LYS 52 HZ2 TRP 48 - HE3 LYS 52 HE3 LYS 52 - QD PHE 99 Upper HB2 PHE 10 - HA LEU 17 3.83 6 0.02 0.17 + + *+ ++ peak 10720 HA LEU 17 - HE3 LYS 52 HA LEU 17 - HE3 LYS 84 HB2 PHE 10 - HA GLN 27 HB2 PHE 10 - HA PRO 35 HB2 PHE 10 - HA PHE 40 HG13 ILE 11 - QG2 VAL 103 HG LEU 70 - QG1 VAL 103 HG LEU 70 - QG2 VAL 103 Upper HB2 PHE 10 - QD2 LEU 36 3.23 9 0.07 0.22 + ++ +++* ++ peak 1587 HB2 PHE 10 - HG2 LYS 52 HG2 LYS 52 - HE3 LYS 52 HB2 PHE 10 - QG2 VAL 69 Upper HB2 PHE 10 - HA LYS 52 5.22 7 0.05 0.36 + + +* ++ + peak 1584 HA LYS 52 - HE3 LYS 52 HA LYS 52 - HE3 LYS 84 Upper HB3 PHE 10 - HA GLN 72 3.35 19 0.18 0.21 +++++*++++ +++++++++ peak 2276 HA GLN 72 - HG3 GLN 72 HA GLN 72 - HB3 GLN 81 Upper QD PHE 10 - H ILE 11 3.94 13 0.11 0.36 +++ ++ *++ +++ + + peak 6084 H ILE 11 - QE PHE 40 H ILE 11 - HE22 GLN 72 Upper QD PHE 10 - QG2 ILE 11 4.23 13 0.16 0.45 ++++ + +++*+ ++ + peak 8723 QD PHE 10 - HG LEU 15 QD PHE 10 - QG2 VAL 25 QD PHE 10 - HB2 LYS 84 QD PHE 10 - HD2 LYS 98 Upper QD PHE 10 - HD1 TRP 60 4.37 11 0.13 0.35 +*++++ ++ + + + peak 9578 H ALA 57 - HD1 TRP 60 H LYS 58 - HD1 TRP 60 HD1 TRP 60 - H ILE 61 Upper QD PHE 10 - H ASN 68 4.89 17 0.16 0.28 +++++++* +++++++ + + peak 9778 H ASN 68 - HD21 ASN 68 Upper QD PHE 10 - QG2 VAL 69 3.78 20 0.35 0.58 ++++++++++++++++++*+ peak 9793 HD21 ASN 68 - QG2 VAL 69 QG2 VAL 69 - HE22 GLN 72 Upper QE PHE 10 - QG2 ILE 11 4.63 18 0.21 0.45 ++++++++++++++* ++ + peak 10877 QE PHE 10 - HG LEU 15 QE PHE 10 - QG2 VAL 25 QE PHE 10 - QG1 VAL 69 QE PHE 10 - HD2 LYS 98 Upper QE PHE 10 - HB2 LEU 15 4.31 12 0.12 0.34 ++*++ + + ++ + ++ peak 8828 QE PHE 10 - QG1 VAL 25 QE PHE 10 - HG13 ILE 28 QE PHE 10 - HG3 LYS 52 HA LYS 13 - H LEU 15 H LEU 15 - HA VAL 25 H LEU 15 - HA ASP 46 Upper QE PHE 10 - QG2 ILE 28 3.95 6 0.04 0.23 + ++++ * peak 6891 HZ PHE 10 - QG2 ILE 28 QG2 ILE 23 - HE3 TRP 48 QG2 ILE 28 - HE3 TRP 48 QG2 ILE 23 - HZ2 TRP 48 QG2 ILE 28 - HZ2 TRP 48 HZ2 TRP 48 - QG2 ILE 90 QG2 ILE 28 - HE3 TRP 60 QG2 ILE 28 - HH2 TRP 60 QG2 ILE 28 - QE PHE 79 QE PHE 79 - QG2 ILE 90 HZ PHE 79 - QG2 ILE 90 QG2 ILE 23 - QD PHE 99 QG2 ILE 28 - QD PHE 99 QG2 ILE 90 - QD PHE 99 QG2 ILE 28 - QE PHE 104 H THR 37 - H ASN 68 H ALA 47 - H ASN 68 HE22 GLN 49 - H ASN 68 H ARG 66 - H ASN 68 Upper QE PHE 10 - HB2 LYS 98 3.53 12 0.07 0.16 + +++ + ++ ++ + +* peak 10144 HZ PHE 10 - HB2 LYS 98 HE3 TRP 48 - HB2 LYS 98 HZ2 TRP 48 - HB2 LYS 98 HE3 TRP 60 - HB2 LYS 98 HH2 TRP 60 - HB2 LYS 98 QE PHE 79 - HB2 LYS 98 HB2 LYS 98 - H PHE 99 HB2 LYS 98 - QD PHE 99 HB2 LYS 98 - QE PHE 104 Upper HZ PHE 10 - HD3 LYS 98 3.85 8 0.02 0.20 + +++ *+ + + peak 10148 H ASN 20 - HD3 LYS 98 HE3 TRP 48 - HD3 LYS 98 HZ2 TRP 48 - HD3 LYS 98 HE3 TRP 60 - HD3 LYS 98 QE PHE 79 - HD3 LYS 98 HD3 LYS 98 - QD PHE 99 HD3 LYS 98 - QE PHE 104 Upper H ILE 11 - HB ILE 11 3.38 12 0.07 0.24 +++ ++ *++ ++++ peak 6088 H ILE 11 - HB ILE 28 Upper H ILE 11 - QG2 ILE 11 3.35 20 0.30 0.36 +++++++++++*++++++++ peak 161 QG2 ILE 11 - H ASP 26 QG2 ILE 11 - H ASN 71 Upper H ILE 11 - QG2 ILE 11 3.30 13 0.12 0.36 ++++ + +*+++ ++ + peak 6089 H ILE 11 - QD1 LEU 12 H ILE 11 - QG2 VAL 25 Upper H ILE 11 - QD1 ILE 11 3.79 9 0.03 0.13 +++ *+++ ++ peak 6092 H ILE 11 - QG2 ILE 28 H ILE 11 - QG2 VAL 69 Upper H ILE 11 - H LEU 12 3.98 18 0.08 0.14 +++++++++++ *++++++ peak 6093 H ILE 11 - H GLN 27 Upper H ILE 11 - H GLN 27 3.34 7 0.02 0.10 +*+ ++ + + peak 6321 H ASP 26 - H GLN 27 H GLN 27 - H SER 34 Upper H ILE 11 - HG12 ILE 28 3.22 20 0.40 0.57 +++++++++++++++++++* peak 8154 H ASP 26 - HG12 ILE 28 HG12 ILE 28 - H SER 34 HB2 PHE 10 - QG1 VAL 25 QG1 VAL 25 - HE3 LYS 52 QG1 VAL 25 - HD2 ARG 66 Upper H ILE 11 - HG13 ILE 28 4.09 7 0.03 0.18 * ++ ++ + + peak 9577 H ASP 26 - HG13 ILE 28 HG13 ILE 28 - H SER 34 H VAL 14 - H LYS 58 H GLU 56 - H LYS 58 H LYS 58 - H ILE 67 Upper H ILE 11 - QD1 ILE 28 3.84 8 0.06 0.29 +++ *++ ++ peak 9121 H ASP 26 - QD1 ILE 28 QD1 ILE 28 - H SER 34 HB3 LEU 12 - H SER 34 HB VAL 29 - H SER 34 H SER 34 - HB3 GLU 110 Upper H ILE 11 - QD1 ILE 28 2.73 20 0.73 1.21 ++++*+++++++++++++++ peak 6597 H ASP 26 - QD1 ILE 28 QD1 ILE 28 - H SER 34 H THR 8 - H GLN 50 H GLN 50 - H LYS 52 H GLN 50 - H ASN 87 Upper H ILE 11 - HE1 TRP 48 4.29 10 0.06 0.25 ++++ + ++ ++* peak 10133 H GLY 30 - HE1 TRP 48 HE1 TRP 48 - H ASN 71 HE3 TRP 16 - HA ALA 95 H LEU 51 - HA ALA 95 H VAL 69 - HA ALA 95 QD PHE 79 - HA ALA 95 H LYS 84 - HA ALA 95 Upper H ILE 11 - H VAL 69 3.59 19 0.13 0.22 ++++++++++ ++++++++* peak 9798 H ALA 24 - H VAL 69 H GLY 30 - H VAL 69 H VAL 69 - H ASN 71 HZ3 TRP 48 - QG1 VAL 69 H ILE 61 - QG1 VAL 69 QG1 VAL 69 - HE21 GLN 72 QG1 VAL 69 - HZ PHE 99 Upper H ILE 11 - HG LEU 70 4.29 12 0.12 0.29 +++++++ +++ *+ peak 2229 H ALA 24 - HG LEU 70 H GLY 30 - HG LEU 70 HG LEU 70 - H ASN 71 Upper HA ILE 11 - QD1 ILE 11 3.65 20 0.35 0.43 ++++++++++++*+++++++ peak 151 HA ILE 11 - QG2 ILE 28 Upper HB ILE 11 - QG2 VAL 21 3.32 7 0.03 0.21 + *+ + + + + peak 1447 HB ILE 11 - QD1 ILE 28 HB ILE 11 - QD1 ILE 90 HA GLN 49 - H GLU 54 HA LEU 51 - H GLU 54 HA LEU 51 - H LYS 84 HA LEU 51 - H GLU 94 Upper HB ILE 11 - QD1 ILE 28 2.88 16 0.10 0.25 ++++ +++++ ++++*++ peak 785 HB ILE 28 - QD1 ILE 28 Upper HB ILE 11 - H VAL 29 3.74 17 0.10 0.30 ++++++++++*+ +++ ++ peak 6368 HB ILE 28 - H VAL 29 H VAL 29 - HB2 LEU 70 Upper HB ILE 11 - QG2 THR 33 3.36 9 0.05 0.24 * +++ ++ + ++ peak 6657 HB ILE 28 - QG2 THR 33 QG2 THR 33 - HB2 LEU 70 H ASP 18 - HA GLN 50 HA GLN 50 - H ASP 53 H ASP 53 - HA LEU 55 H ASP 53 - HA LEU 83 Upper HB ILE 11 - QD1 LEU 36 3.09 14 0.26 0.46 ++++++ +++ +++ * + peak 10792 HB ILE 28 - QD1 LEU 36 QD1 LEU 36 - HB2 LEU 55 QD1 LEU 36 - HD2 LYS 58 QD1 LEU 36 - HB2 ARG 66 HA VAL 21 - HE1 TRP 80 Upper HB ILE 11 - H GLN 50 3.53 19 0.06 0.08 +++++++*++++++ +++++ peak 6590 H GLN 50 - HB2 GLN 50 Upper QG2 ILE 11 - HG13 ILE 11 3.11 20 0.09 0.09 ++++++++*+++++++++++ peak 166 Upper QG2 ILE 11 - HB3 LEU 12 3.40 20 0.24 0.48 ++++++++++++*+++++++ peak 8055 QG2 ILE 11 - HB2 LEU 17 QG2 ILE 11 - HB VAL 76 QG2 ILE 11 - HB VAL 103 Upper QG2 ILE 11 - HE2 LYS 13 3.60 13 0.06 0.24 +* +++ +++ +++ + + peak 8801 QD1 LEU 12 - HE2 LYS 13 HE2 LYS 13 - QD1 LEU 51 HE2 LYS 13 - HD2 LYS 98 HE2 LYS 13 - QG2 VAL 102 HE2 LYS 13 - QG1 VAL 103 HE2 LYS 13 - QG2 VAL 103 HE2 LYS 13 - QD1 LEU 109 Upper QG2 ILE 11 - HE3 LYS 13 3.72 10 0.05 0.23 + + + + +++ +*+ peak 8806 QD1 LEU 12 - HE3 LYS 13 HE3 LYS 13 - QD1 LEU 51 HE3 LYS 13 - HD2 LYS 98 HE3 LYS 13 - QG2 VAL 102 HE3 LYS 13 - QG1 VAL 103 HE3 LYS 13 - QD1 LEU 109 Upper QG2 ILE 11 - HB3 LEU 17 3.08 19 0.14 0.35 +++++++++++*++++ +++ peak 8279 QG2 ILE 11 - HB2 ASP 26 QG2 ILE 11 - HB3 ASP 26 QG2 ILE 11 - HG2 GLU 54 QB ALA 24 - H PHE 40 H PHE 40 - QG1 VAL 102 Upper QG2 ILE 11 - HB3 LEU 17 3.26 20 0.20 0.36 +++*++++++++++++++++ peak 7068 QG2 ILE 11 - HB2 ASP 26 QG2 ILE 11 - HB3 ASP 26 QG2 ILE 11 - HG2 GLU 54 HB THR 5 - H VAL 76 HA ALA 57 - H VAL 76 HA ALA 62 - H VAL 76 HA GLN 72 - H VAL 76 Upper QG2 ILE 11 - HB2 ASP 18 3.93 14 0.10 0.32 *+ +++ ++++ + ++++ peak 8849 QG2 ILE 11 - HB3 ASP 18 QD1 LEU 17 - HB2 ASP 18 QD1 LEU 17 - HB3 ASP 18 QD2 LEU 17 - HB2 ASP 18 QD2 LEU 17 - HB3 ASP 18 Upper QG2 ILE 11 - HA ALA 24 3.60 7 0.04 0.14 ++ ++ + * + peak 8148 QD1 LEU 12 - HA ALA 24 QG2 ILE 23 - HA ALA 24 HA ALA 24 - QG2 VAL 25 HA ALA 24 - QG2 VAL 102 Upper QG2 ILE 11 - HA ASP 26 4.77 13 0.17 0.33 ++++ + +++++ ++ * peak 8993 QG2 VAL 25 - HA ASP 26 Upper QG2 ILE 11 - HB2 ASP 26 3.43 19 0.21 0.36 ++++++++++++ ++++++* peak 10708 QG2 ILE 11 - HG3 GLU 54 QG2 ILE 11 - HB3 GLN 72 QG2 ILE 11 - HG2 GLN 72 QG2 ILE 11 - HB2 GLU 75 QG2 ILE 11 - HB3 GLU 75 QG2 ILE 11 - HG2 GLU 101 QG2 ILE 11 - HG3 GLU 101 HE22 GLN 19 - HG2 GLU 101 HE22 GLN 19 - HG3 GLU 101 HE21 GLN 72 - HG2 GLU 101 HE21 GLN 72 - HG3 GLU 101 HZ PHE 99 - HG2 GLU 101 HZ PHE 99 - HG3 GLU 101 Upper QG2 ILE 11 - HA ILE 28 3.60 20 0.38 0.50 ++++++*+++++++++++++ peak 9789 QG2 ILE 11 - HA VAL 29 QG2 ILE 11 - HA ALA 47 QG2 ILE 11 - HA LEU 109 H ASP 18 - HA VAL 69 H TRP 48 - HA VAL 69 H ASP 53 - HA VAL 69 HA VAL 69 - H ALA 73 HA VAL 69 - H VAL 103 Upper QG2 ILE 11 - H THR 37 4.23 14 0.08 0.24 ++++ +* +++ + ++++ peak 11230 QD1 LEU 12 - H THR 37 QD2 LEU 17 - H THR 37 QG2 VAL 25 - H THR 37 H THR 37 - QD1 LEU 51 H THR 37 - QG2 ILE 67 H THR 37 - QG1 VAL 69 H THR 37 - QG2 VAL 102 H THR 37 - QD1 LEU 109 HB3 TRP 16 - HE2 LYS 52 HB3 TRP 16 - HB3 ASP 82 HB3 TRP 16 - HB2 PHE 104 HB3 TRP 16 - HB3 PHE 104 Upper QG2 ILE 11 - HB2 PHE 40 3.80 12 0.49 1.14 ++++++ ++*+++ peak 10302 QG2 VAL 25 - HB2 PHE 40 HB2 PHE 40 - QD1 LEU 51 HB2 PHE 40 - HD2 LYS 98 HA LEU 12 - HA LEU 17 HA LEU 12 - HA GLN 27 HA LEU 17 - HA LEU 36 HA GLN 27 - HA LEU 36 Upper QG2 ILE 11 - HZ PHE 40 3.63 7 0.02 0.11 *++ + ++ + peak 10221 QG2 VAL 25 - HZ PHE 40 HZ PHE 40 - QD1 LEU 51 HZ PHE 40 - HD2 LYS 98 H VAL 14 - QG1 VAL 103 H VAL 14 - QG2 VAL 103 H ILE 28 - QG2 VAL 103 H ASP 46 - QG2 VAL 103 H GLU 56 - QG2 VAL 103 H ILE 67 - QG1 VAL 103 H ILE 67 - QG2 VAL 103 Upper QG2 ILE 11 - QB ALA 47 4.12 9 0.12 0.41 +++ + +++ +* peak 11180 QD1 LEU 12 - QB ALA 47 QG2 VAL 25 - QB ALA 47 QB ALA 47 - QD1 LEU 51 QD1 ILE 11 - HB3 LYS 84 QD1 ILE 23 - HB3 LYS 84 HB3 LEU 55 - HB3 LYS 58 HB3 LYS 84 - QD2 LEU 109 Upper QG2 ILE 11 - HA TRP 48 3.92 8 0.08 0.28 + + + *++ ++ peak 8344 QD1 LEU 12 - HA TRP 48 HA TRP 48 - QD1 LEU 51 HA TRP 48 - QG1 VAL 69 QG2 ILE 11 - HG3 GLU 54 QD1 LEU 12 - HG3 GLU 54 QD1 LEU 17 - HG3 GLU 54 QD2 LEU 17 - HG3 GLU 54 QG2 VAL 25 - HG3 GLU 54 QD1 LEU 51 - HG3 GLU 54 HG3 GLU 54 - QG2 VAL 102 Upper QG2 ILE 11 - H LYS 52 3.83 13 0.16 0.62 +++ +++++ + *+ ++ peak 6643 HG LEU 15 - H LYS 52 QD1 LEU 51 - H LYS 52 H LYS 52 - QG1 VAL 69 H LYS 52 - HB2 LYS 84 H LYS 52 - HD2 LYS 98 Upper QG2 ILE 11 - HB2 GLU 54 3.40 11 0.04 0.21 + +++ + ++ +* + + peak 10666 QG2 ILE 11 - HG13 ILE 90 QG2 ILE 11 - HB3 GLU 101 QD1 LEU 12 - HB2 GLN 72 QD1 LEU 12 - HG13 ILE 90 QD2 LEU 17 - HB3 GLU 101 HB3 GLU 63 - QD1 ILE 67 HZ2 TRP 80 - HG2 LYS 84 HZ2 TRP 80 - HD2 LYS 84 HG2 LYS 84 - HE21 GLN 86 HD2 LYS 84 - HE21 GLN 86 HD2 LYS 84 - HD21 ASN 87 Upper QG2 ILE 11 - QD2 LEU 70 3.24 9 0.07 0.34 +++ + *+ + ++ peak 10927 HG LEU 15 - QD2 LEU 70 QD1 LEU 51 - QD2 LEU 70 QD1 ILE 67 - QD2 LEU 70 HD1 TRP 16 - QB ALA 95 Upper QG2 ILE 11 - QD2 LEU 70 3.17 9 0.09 0.30 +++ + ++ * ++ peak 6713 HG LEU 15 - QD2 LEU 70 QD1 LEU 51 - QD2 LEU 70 QD1 ILE 67 - QD2 LEU 70 H GLU 54 - H GLU 56 H GLU 56 - H LYS 84 H GLU 56 - H GLU 94 H GLU 56 - HE22 GLN 96 H GLU 56 - HD21 ASN 108 Upper QG2 ILE 11 - H GLU 101 3.56 15 0.05 0.12 +++++ +++++ + +*++ peak 8525 QD1 LEU 12 - H GLU 101 QD1 LEU 17 - H GLU 101 QD2 LEU 17 - H GLU 101 QG2 VAL 25 - H GLU 101 HD2 LYS 98 - H GLU 101 H GLU 101 - QG2 VAL 102 Upper QG2 ILE 11 - HA GLU 101 3.94 6 0.03 0.22 + + + *+ + peak 10204 QD1 LEU 12 - HA GLU 101 QD1 LEU 17 - HA GLU 101 QD2 LEU 17 - HA GLU 101 QG2 VAL 25 - HA GLU 101 HA GLU 101 - QG2 VAL 102 Upper QG2 ILE 11 - HG2 GLU 101 3.69 18 0.12 0.26 +++++ +++++*+++++++ peak 10206 QG2 ILE 11 - HG3 GLU 101 QD1 LEU 17 - HG2 GLU 101 QD1 LEU 17 - HG3 GLU 101 QD2 LEU 17 - HG2 GLU 101 QD2 LEU 17 - HG3 GLU 101 HG2 GLU 101 - QG2 VAL 102 HG3 GLU 101 - QG2 VAL 102 Upper QG2 ILE 11 - HA LEU 109 3.28 11 0.09 0.37 +++ + +* + + ++ + peak 3001 QD1 LEU 12 - HA LEU 109 QD1 LEU 51 - HA LEU 109 HA LEU 109 - QD1 LEU 109 Upper HG12 ILE 11 - H LEU 12 4.16 20 0.31 0.42 ++*+++++++++++++++++ peak 176 HG12 ILE 11 - H TRP 16 HG12 ILE 11 - H GLN 27 Upper HG12 ILE 11 - H THR 33 3.16 19 0.21 0.35 +++++++++++++ ++*+++ peak 6421 H THR 33 - QG2 THR 33 H THR 33 - QG2 THR 37 Upper HG12 ILE 11 - H SER 34 3.21 10 0.06 0.23 + ++ +++* +++ peak 6427 QG2 THR 33 - H SER 34 Upper HG13 ILE 11 - H LEU 12 3.99 7 0.02 0.12 + + ++* + + peak 184 HG13 ILE 11 - H TRP 16 HG13 ILE 11 - H GLN 27 Upper HG13 ILE 11 - QD1 LEU 12 3.36 18 0.39 0.85 +++++ +++++++++++ +* peak 10321 HG13 ILE 11 - QG2 VAL 25 QG2 VAL 25 - HB2 LEU 36 QD1 LEU 51 - HB3 LYS 52 QD1 LEU 51 - HG LEU 70 QD1 LEU 12 - HB2 LYS 88 Upper HG13 ILE 11 - H ASP 18 3.56 7 0.05 0.23 + ++ * + + + peak 6663 HG13 ILE 11 - H ASP 53 HG LEU 17 - H ASP 18 HG LEU 17 - H ASP 53 QB ALA 47 - H ASP 53 H ASP 18 - HB3 LYS 52 HB3 LYS 52 - H ASP 53 H ASP 53 - HG LEU 70 H ASP 53 - HB2 LYS 88 Upper HG13 ILE 11 - HA ILE 28 3.17 20 0.28 0.66 ++++++++++++++++++*+ peak 8218 HG13 ILE 11 - HA VAL 29 HG13 ILE 11 - HA ALA 47 HB2 ASP 26 - QG2 THR 33 HB3 ASP 26 - QG2 THR 33 Upper HG13 ILE 11 - QD1 ILE 28 2.98 6 0.02 0.11 + ++ + +* peak 8081 HG13 ILE 11 - QD1 ILE 90 QD1 ILE 28 - QB ALA 47 QD1 ILE 28 - HB3 LYS 52 QD1 ILE 28 - HG LEU 70 HG LEU 70 - QD1 ILE 90 QD1 LEU 12 - H ASP 18 H ASP 18 - QD1 LEU 51 H TRP 48 - QD1 LEU 51 QD1 LEU 51 - H ASP 53 QD1 LEU 12 - H ALA 73 QG2 VAL 25 - H ALA 73 QD1 LEU 51 - H ALA 73 QD1 LEU 12 - H VAL 103 Upper HG13 ILE 11 - QD1 ILE 28 3.08 9 0.08 0.32 +++++ + *+ + peak 8271 HG13 ILE 11 - QD1 ILE 90 QD1 ILE 28 - QB ALA 47 QD1 ILE 28 - HB3 LYS 52 QD1 ILE 28 - HG LEU 70 HG LEU 70 - QD1 ILE 90 HB2 SER 38 - QE PHE 40 HB2 SER 38 - HZ PHE 40 HB2 SER 38 - QE PHE 99 Upper HG13 ILE 11 - HA LYS 31 3.16 20 0.25 0.44 ++++++++++++++++++*+ peak 827 HA LYS 31 - HG2 LYS 31 HA LYS 31 - QB ALA 47 HA LYS 31 - HG LEU 70 HA LYS 31 - HB2 LYS 88 Upper HG13 ILE 11 - QG2 THR 37 3.61 11 0.11 0.34 ++++ + ++* +++ peak 8261 HD2 LYS 13 - QG2 THR 37 HD3 LYS 13 - QG2 THR 37 HB2 LEU 36 - QG2 THR 37 QG2 THR 37 - HB3 LEU 51 QG2 THR 37 - HG3 LYS 58 QG2 THR 37 - HB2 LEU 109 Upper HG13 ILE 11 - HA PHE 40 3.75 12 0.06 0.22 +*++++ ++ ++ + + peak 8508 HB2 LEU 36 - HA PHE 40 HA PHE 40 - QB ALA 47 HA PHE 40 - HG LEU 70 HA PHE 40 - HB ILE 77 HB2 TRP 42 - QD1 ILE 77 HB3 TRP 42 - QD1 ILE 77 HA LYS 52 - QD1 ILE 77 Upper HG13 ILE 11 - HA ASP 46 3.76 20 0.28 0.36 ++++++++*+++++++++++ peak 9274 HA ASP 46 - QB ALA 47 Upper HG13 ILE 11 - HA LEU 51 3.98 6 0.08 0.35 + ++ + * + peak 1356 HA GLN 49 - HB3 LYS 52 HA LEU 51 - HB3 LYS 52 HA LEU 51 - HG LEU 70 HA LEU 51 - HG3 LYS 84 HA GLN 49 - HB2 LYS 88 Upper HG13 ILE 11 - HB3 GLU 54 3.31 6 0.02 0.16 + ++ * ++ peak 8120 HG13 ILE 11 - HG12 ILE 90 HB3 GLU 54 - QB ALA 57 HG LEU 70 - HG12 ILE 90 QG2 VAL 14 - QG2 VAL 21 QG2 VAL 21 - QD2 LEU 51 QG2 VAL 21 - HB2 LYS 52 QG2 VAL 21 - HG12 ILE 77 Upper QD1 ILE 11 - H LEU 12 3.81 20 0.42 0.49 ++++++++++++++++*+++ peak 6101 H LEU 12 - QG2 ILE 28 H LEU 12 - QG1 VAL 29 H LEU 12 - QD2 LEU 36 H LEU 12 - QG2 VAL 69 Upper QD1 ILE 11 - HB3 LEU 12 4.37 20 0.45 0.56 ++++++++*+++++++++++ peak 10841 QD1 ILE 11 - HB2 LEU 17 HB3 LEU 12 - QD2 LEU 36 HB3 LEU 12 - QG2 VAL 69 HB3 LEU 12 - QG2 ILE 90 Upper QD1 ILE 11 - HB3 LEU 12 3.66 20 0.34 0.47 ++++++++++++++++*+++ peak 10311 HB3 LEU 12 - QD1 ILE 23 QD1 ILE 11 - HB2 LEU 17 QD1 ILE 23 - HG3 PRO 35 QD1 ILE 11 - HB VAL 103 Upper QD1 ILE 11 - HG2 LYS 13 3.79 16 0.11 0.25 +++ +++ ++++ +*++ ++ peak 9894 QD1 ILE 11 - HG3 LYS 13 HG2 LYS 13 - QD2 LEU 36 HG3 LYS 13 - QD2 LEU 36 HG3 LYS 13 - HG2 LYS 52 HE22 GLN 27 - H ALA 73 HD1 TRP 48 - H ALA 73 Upper QD1 ILE 11 - QG2 ILE 23 2.40 6 0.01 0.06 + + + +*+ peak 646 QG2 ILE 23 - QD1 ILE 23 QD1 ILE 11 - QG2 ILE 28 QD1 ILE 23 - QD2 LEU 36 QD1 ILE 23 - HG2 LYS 52 QD1 ILE 23 - QD1 ILE 67 QD1 ILE 11 - QG2 ILE 90 Upper QD1 ILE 11 - H ILE 28 3.27 20 0.29 0.38 +++++++++++*++++++++ peak 6360 H ILE 28 - QG2 ILE 28 H ILE 28 - QD1 ILE 67 Upper QD1 ILE 11 - HA3 GLY 30 3.86 12 0.07 0.20 +* +++ + +++ + ++ peak 8202 QD1 ILE 23 - HA3 GLY 30 QG1 VAL 29 - HA3 GLY 30 QG2 VAL 29 - HA3 GLY 30 HA3 GLY 30 - QG2 VAL 69 HA3 GLY 30 - QD2 LEU 109 Upper QD1 ILE 11 - HA2 GLY 32 4.12 14 0.08 0.24 +++ ++ +* +++ ++ ++ peak 8903 QG2 VAL 21 - HA2 GLY 32 QG1 VAL 29 - HA2 GLY 32 QG2 VAL 29 - HA2 GLY 32 HG13 ILE 23 - QD PHE 40 HG13 ILE 23 - HZ PHE 40 HG13 ILE 23 - H LYS 98 Upper QD1 ILE 11 - HA ALA 47 2.70 17 0.49 0.65 *++++ ++++++ ++++++ peak 3000 QD1 ILE 11 - HA LEU 109 QG1 VAL 29 - HA LEU 109 QG2 VAL 29 - HA LEU 109 HA LEU 109 - QD2 LEU 109 Upper QD1 ILE 11 - H GLN 72 3.75 12 0.15 0.41 +++ + +++ ++ *++ peak 8043 HG2 LYS 52 - H GLN 72 QD1 ILE 67 - H GLN 72 QG2 VAL 69 - H GLN 72 H GLN 72 - QG2 ILE 90 H PHE 10 - QG2 VAL 21 H PHE 10 - QD1 ILE 28 H PHE 10 - QD1 ILE 90 Upper QD1 ILE 11 - HA ALA 73 3.60 6 0.03 0.13 ++ + *+ + peak 9505 QD1 ILE 23 - HA ALA 73 QG2 ILE 28 - HA ALA 73 QG1 VAL 29 - HA ALA 73 HG2 LYS 52 - HA ALA 73 QG2 VAL 69 - HA ALA 73 HA ALA 73 - QG2 ILE 90 HA ALA 73 - QD2 LEU 109 QG2 ILE 11 - H LEU 55 QG2 ILE 11 - H ASN 78 QD1 LEU 12 - H LEU 55 HG LEU 15 - H LEU 55 QD2 LEU 17 - H LEU 55 QG2 VAL 25 - H LEU 55 QD1 LEU 51 - H LEU 55 QD1 LEU 51 - H ASN 78 H LEU 55 - QG1 VAL 69 H ASN 78 - QG1 VAL 103 H LEU 55 - QD1 LEU 109 H ASN 78 - QD1 LEU 109 Upper QD1 ILE 11 - HG2 LYS 84 3.69 6 0.02 0.10 ++ +* + + peak 8290 QD1 ILE 11 - HD2 LYS 84 QD1 ILE 23 - HG2 LYS 84 QD1 ILE 23 - HD2 LYS 84 HG2 LYS 52 - HG2 LYS 84 HG2 LYS 52 - HD2 LYS 84 QG2 VAL 69 - HG2 LYS 84 QG2 VAL 69 - HD2 LYS 84 HG2 LYS 84 - QD2 LEU 109 HD2 LYS 84 - QD2 LEU 109 QD PHE 41 - HG2 ARG 44 QD PHE 41 - HG3 ARG 44 HG2 ARG 44 - H ASP 65 HG3 ARG 44 - H ASP 65 Upper H LEU 12 - QD1 LEU 12 3.69 20 0.35 0.59 +++++++++++*++++++++ peak 225 H LEU 12 - QG2 VAL 25 QD1 LEU 12 - H TRP 16 QD1 LEU 12 - H GLN 27 Upper H LEU 12 - QD2 LEU 12 4.00 20 0.17 0.26 +++++++++++++++++*++ peak 6107 H LEU 12 - QD1 LEU 83 H LEU 12 - QD1 ILE 90 Upper H LEU 12 - H ILE 28 4.36 8 0.04 0.20 + + ++* + + + peak 6350 H GLN 27 - H ILE 28 Upper H LEU 12 - QD1 LEU 36 3.47 17 0.12 0.20 + +++ +++ +++++++++* peak 11199 H TRP 16 - QD1 LEU 36 H GLN 27 - QD1 LEU 36 HH2 TRP 16 - QD2 LEU 83 HZ3 TRP 42 - QD2 LEU 83 Upper HA LEU 12 - QD2 LEU 36 3.65 19 0.14 0.20 ++++++++++++*+++++ + peak 1050 HA TRP 16 - QD2 LEU 36 HA LEU 36 - QD2 LEU 36 Upper HB2 LEU 12 - QD2 LEU 17 3.38 10 0.04 0.15 ++ ++ +++ + +* peak 9187 HB2 LEU 12 - QG2 VAL 102 HB3 LEU 15 - QD2 LEU 17 QD2 LEU 17 - HD3 LYS 52 QD2 LEU 17 - HG2 LYS 84 QD2 LEU 17 - HD2 LYS 84 HB2 PHE 10 - QG2 THR 37 QG2 THR 37 - HE2 LYS 58 QG2 THR 37 - HB2 ASN 78 QG2 THR 37 - HE2 LYS 88 QG2 THR 37 - HE3 LYS 88 Upper HB2 LEU 12 - QD2 LEU 17 3.30 18 0.10 0.22 *+ ++++++++++ ++++++ peak 9080 HB2 LEU 12 - QG2 VAL 102 HB3 LEU 15 - QD2 LEU 17 QD2 LEU 17 - HD3 LYS 52 QD2 LEU 17 - HG2 LYS 84 QD2 LEU 17 - HD2 LYS 84 H ASP 26 - H VAL 29 H VAL 29 - H SER 34 Upper HB2 LEU 12 - H ALA 24 3.00 20 0.24 0.46 +++++++++++++++*++++ peak 8392 HG2 LYS 13 - H ALA 24 HG3 LYS 13 - H ALA 24 HD3 LYS 58 - QB ALA 62 QB ALA 62 - QB ALA 64 Upper HB3 LEU 12 - HD2 LYS 13 3.82 6 0.04 0.23 + + * + + + peak 8798 HB3 LEU 12 - HD3 LYS 13 HD2 LYS 13 - HB VAL 103 HD3 LYS 13 - HB VAL 103 Upper HB3 LEU 12 - QG2 VAL 14 3.58 19 0.11 0.28 +++++++++ +++++++*++ peak 7152 HB3 LEU 12 - QD2 LEU 51 HB3 LEU 12 - HB2 LYS 52 HB3 LEU 12 - HG3 LYS 98 HA PRO 43 - H TRP 80 HD2 PRO 43 - H TRP 80 HA THR 74 - H TRP 80 HA VAL 76 - H TRP 80 Upper HB3 LEU 12 - HG2 LYS 98 2.63 20 0.19 0.34 ++++*+++++++++++++++ peak 11211 HB3 LEU 12 - QG1 VAL 102 HB2 LEU 17 - QG1 VAL 102 QG2 ILE 11 - QG1 VAL 29 QG1 VAL 29 - QD1 LEU 51 QG1 VAL 29 - QG2 VAL 102 QG1 VAL 29 - QD1 LEU 109 Upper HG LEU 12 - QG1 VAL 14 3.28 20 0.23 0.54 ++++++++++++++++*+++ peak 8241 HG LEU 12 - QG1 VAL 69 HB2 LEU 36 - QG1 VAL 69 HG2 PRO 43 - QG1 VAL 69 QG1 VAL 14 - HB3 LEU 51 HB3 LEU 51 - QG1 VAL 69 QG1 VAL 69 - QB ALA 73 QG1 VAL 14 - HB ILE 77 QG1 VAL 69 - HB3 LYS 84 QD PHE 10 - QD1 LEU 36 QD1 LEU 36 - H LYS 58 Upper HG LEU 12 - HB ILE 23 3.24 16 0.10 0.25 ++ ++++++*+ ++++++ peak 8022 HB ILE 23 - HG LEU 36 HB ILE 23 - HB3 LEU 83 HB ILE 23 - HB3 LYS 84 HB ILE 23 - HD2 LYS 88 HB ILE 23 - HD3 LYS 88 H VAL 6 - QG2 THR 8 QG2 THR 8 - H PHE 10 QG2 THR 8 - H VAL 29 QG2 THR 8 - H LEU 70 Upper HG LEU 12 - QG2 ILE 23 2.92 15 0.09 0.20 ++ + ++++* +++++ ++ peak 9461 HG LEU 12 - QG2 ILE 90 QG2 ILE 23 - HB3 LEU 51 QG2 ILE 23 - QB ALA 73 QG2 ILE 28 - QB ALA 73 QG2 ILE 23 - HB3 LEU 83 QG2 ILE 23 - HB3 LYS 84 QG2 ILE 23 - HD2 LYS 88 QG2 ILE 23 - HD3 LYS 88 QG2 ILE 23 - HG LEU 109 HB2 SER 38 - HG3 GLU 54 HA GLN 49 - HG3 GLU 54 HA LEU 51 - HG3 GLU 54 HG3 GLU 54 - HA ARG 66 HG3 GLU 54 - HB3 TRP 80 HG3 GLU 54 - HA ALA 95 Upper HG LEU 12 - QG2 ILE 23 2.90 6 0.02 0.18 + ++ ++ * peak 8299 HG LEU 12 - QG2 ILE 90 QG2 ILE 23 - HB3 LEU 51 QG2 ILE 23 - QB ALA 73 QG2 ILE 28 - QB ALA 73 QG2 ILE 23 - HB3 LEU 83 QG2 ILE 23 - HB3 LYS 84 QG2 ILE 23 - HD2 LYS 88 QG2 ILE 23 - HD3 LYS 88 QG2 ILE 23 - HG LEU 109 HB2 PHE 41 - QB ALA 45 QB ALA 45 - HG2 GLN 50 Upper HG LEU 12 - HA ASP 26 3.89 14 0.10 0.45 + ++ + *++++ +++ ++ peak 9785 HA ASP 26 - HG LEU 36 HA ASP 26 - HB3 LYS 58 HA ASP 26 - QB ALA 73 HA ASP 26 - HB3 LEU 109 HA ASP 26 - HG LEU 109 HE22 GLN 19 - HD22 ASN 68 HD22 ASN 68 - HE21 GLN 72 HD22 ASN 68 - HZ PHE 99 Upper HG LEU 12 - HB VAL 69 3.36 15 0.12 0.25 +++ ++++ +*+++ +++ peak 8147 HB2 GLN 27 - HG LEU 36 HB3 GLN 27 - HG LEU 36 HB2 LYS 31 - HG LEU 36 HG LEU 36 - HB VAL 69 HB2 LYS 31 - HB3 LYS 58 HB2 ARG 66 - HB VAL 69 HG13 ILE 67 - HB VAL 69 HB2 LYS 31 - HB3 LEU 83 QB ALA 24 - QD TYR 39 Upper HG LEU 12 - HB VAL 69 3.08 20 0.22 0.33 +++++++++++++++++++* peak 8343 HB2 GLN 27 - HG LEU 36 HB3 GLN 27 - HG LEU 36 HB2 LYS 31 - HG LEU 36 HG LEU 36 - HB VAL 69 HB2 LYS 31 - HB3 LYS 58 HB2 ARG 66 - HB VAL 69 HG13 ILE 67 - HB VAL 69 HB2 LYS 31 - HB3 LEU 83 QG1 VAL 25 - HG3 GLU 54 QG2 THR 37 - HG3 GLU 54 Upper HG LEU 12 - H GLN 72 3.77 20 0.31 0.42 +++++++++++*++++++++ peak 9857 H GLN 72 - QB ALA 73 Upper HG LEU 12 - QG2 VAL 76 3.62 11 0.03 0.15 +* ++++++ + ++ peak 10663 QB ALA 73 - QG2 VAL 76 H GLN 50 - HA LYS 84 H LYS 52 - HA LYS 84 HA LYS 84 - H ASN 87 HA LYS 84 - H LYS 88 Upper HG LEU 12 - QG2 VAL 76 3.79 8 0.05 0.22 + + + + +*++ peak 9389 QB ALA 73 - QG2 VAL 76 QD PHE 40 - HE21 GLN 50 HZ PHE 40 - HE21 GLN 50 HE21 GLN 50 - HD2 HIS 59 HE21 GLN 50 - H LYS 98 Upper HG LEU 12 - HA VAL 102 3.44 19 0.22 0.37 +++++++ ++++++*+++++ peak 3020 HA LEU 109 - HG LEU 109 Upper QD1 LEU 12 - H LYS 13 3.04 17 0.12 0.27 ++++++ ++++ +++ +*++ peak 232 H LYS 13 - QG2 VAL 25 H LYS 13 - QD1 LEU 51 QD1 LEU 12 - H ALA 64 QD1 LEU 12 - H TRP 80 QD1 LEU 12 - H GLU 101 QG2 VAL 25 - H GLU 101 QD1 LEU 12 - H SER 105 Upper QD1 LEU 12 - HA ALA 24 3.57 9 0.05 0.16 +++ ++ + + * + peak 8779 HA ALA 24 - QG2 VAL 25 QD1 LEU 12 - HA VAL 102 QD1 LEU 12 - HA LEU 109 QD1 LEU 51 - HA LEU 109 Upper QD1 LEU 12 - HA PHE 99 4.50 19 0.14 0.21 +++++ +++++++++++*++ peak 10160 QG2 VAL 25 - HA PHE 99 QD1 LEU 51 - HA PHE 99 QG1 VAL 69 - HA PHE 99 HD2 LYS 98 - HA PHE 99 Upper QD1 LEU 12 - HB3 LEU 109 2.94 19 0.20 0.24 +++++++ +++++++++++* peak 3017 HB3 LEU 109 - QD1 LEU 109 Upper QD2 LEU 12 - H LYS 13 4.43 15 0.07 0.13 + ++++*+++ + +++++ peak 240 QD2 LEU 12 - H GLU 101 QD2 LEU 12 - H SER 105 Upper QD2 LEU 12 - H LYS 13 4.37 20 0.27 0.34 +++++++++*++++++++++ peak 6116 H LYS 13 - QD1 LEU 83 H LYS 13 - QD1 ILE 90 Upper QD2 LEU 12 - HB2 LYS 13 5.98 18 0.10 0.32 ++*+++++++++ + +++++ peak 10662 QD2 LEU 12 - HG LEU 83 QD2 LEU 12 - HG3 LYS 88 QD2 LEU 12 - HB3 LYS 98 Upper QD2 LEU 12 - QG1 VAL 14 3.37 9 0.04 0.13 *+ + +++ +++ peak 10679 QD2 LEU 12 - HB2 LEU 15 QD2 LEU 12 - QG1 VAL 25 QD2 LEU 12 - HG3 LYS 52 QD2 LEU 12 - QG2 THR 74 QD2 LEU 12 - QG1 VAL 76 H GLU 75 - HG3 LYS 88 H LEU 83 - HG3 LYS 88 H GLN 86 - HG3 LYS 88 HG3 LYS 88 - H ALA 95 Upper QD2 LEU 12 - QG1 VAL 14 3.35 13 0.06 0.20 +++++ + * + + ++++ peak 10222 QD2 LEU 12 - HB2 LEU 15 QD2 LEU 12 - QG1 VAL 25 QD2 LEU 12 - HG3 LYS 52 QD2 LEU 12 - QG2 THR 74 QD2 LEU 12 - QG1 VAL 76 HE22 GLN 96 - QG1 VAL 103 HE22 GLN 96 - QG2 VAL 103 Upper QD2 LEU 12 - H TRP 80 4.45 9 0.03 0.09 ++ + * + +++ + peak 9089 HB2 PRO 43 - H TRP 80 QD1 ILE 77 - H TRP 80 H TRP 80 - QD1 LEU 83 QG2 ILE 11 - HA2 GLY 30 QG2 ILE 23 - HA2 GLY 30 HA2 GLY 30 - QD1 LEU 51 HA2 GLY 30 - QG2 VAL 102 HA2 GLY 30 - QD1 LEU 109 Upper H LYS 13 - HD2 LYS 13 3.75 19 0.22 0.56 +++++++++++*++ +++++ peak 6123 H LYS 13 - HD3 LYS 13 H LYS 13 - HB2 LEU 36 H LYS 13 - QB ALA 45 H LYS 13 - HB3 LEU 51 H LYS 13 - HG3 LYS 58 Upper H LYS 13 - QG1 VAL 14 4.67 15 0.13 0.29 *++ + ++ +++ +++ +++ peak 8805 H LYS 13 - HB2 LEU 15 H LYS 13 - QG1 VAL 25 H LYS 13 - HG13 ILE 28 H LYS 13 - HG3 LYS 52 H LYS 13 - QG1 VAL 76 Upper H LYS 13 - H ASP 46 3.91 20 0.71 0.80 ++++++++++*+++++++++ peak 10076 H LYS 13 - H ILE 67 H ASP 46 - H ALA 64 H ALA 64 - H ILE 67 H ILE 67 - H SER 105 QG2 ILE 23 - HG3 LYS 88 QD1 ILE 23 - HG3 LYS 88 QD2 LEU 36 - HG3 LYS 88 HG2 LYS 52 - HG3 LYS 88 HB3 LEU 55 - HG3 LYS 88 QD1 ILE 67 - HG3 LYS 88 QG2 VAL 69 - HG3 LYS 88 Upper HB2 LYS 13 - QD1 ILE 67 3.06 13 0.12 0.65 + ++++ * + + +++++ peak 11166 HG12 ILE 28 - QD1 ILE 67 HG2 LYS 58 - QD1 ILE 67 HB ILE 61 - QD1 ILE 67 HG2 ARG 66 - QD1 ILE 67 QD1 ILE 67 - QB ALA 93 Upper HB2 LYS 13 - QE MET 92 4.29 8 0.05 0.32 + + + + ++ +* peak 11034 QE MET 92 - QB ALA 93 Upper HB2 LYS 13 - HB3 GLN 96 3.87 12 0.04 0.15 + + ++ *++++ +++ peak 10051 HD3 LYS 58 - HB3 GLN 96 HG LEU 83 - HB3 GLN 96 HG3 LYS 88 - HB3 GLN 96 QB ALA 93 - HB3 GLN 96 HB3 GLN 96 - HB3 LYS 98 HA ALA 73 - H ASN 87 HA LYS 84 - H ASN 87 Upper HB2 LYS 13 - HD2 LYS 98 3.11 17 0.06 0.11 ++++ ++++++ +++*++ + peak 8437 HB2 LYS 13 - QG1 VAL 103 HB2 LYS 13 - QG2 VAL 103 QG2 ILE 67 - HD21 ASN 71 Upper HB2 LYS 13 - QG1 VAL 103 3.78 13 0.20 0.64 + +++* + + ++ +++ + peak 8953 HB2 LYS 13 - QG2 VAL 103 QG1 VAL 6 - HG2 LYS 58 QG2 VAL 6 - HG2 LYS 58 HG2 ARG 66 - QG1 VAL 103 HG2 ARG 66 - QG2 VAL 103 HB3 LYS 98 - QG1 VAL 103 HB3 LYS 98 - QG2 VAL 103 QG1 VAL 14 - HA ALA 73 QG1 VAL 25 - HA ALA 73 QG1 VAL 25 - HA LYS 84 QG1 VAL 14 - HA LYS 98 QG1 VAL 25 - HA LYS 98 QG1 VAL 25 - HB2 SER 105 QG1 VAL 14 - HB3 SER 105 QG1 VAL 25 - HB3 SER 105 Upper HB3 LYS 13 - H ALA 24 3.12 11 0.11 0.58 + ++++ + + *+++ peak 8217 H ALA 24 - HB ILE 28 H ALA 24 - HB2 LEU 55 H ALA 24 - HG13 ILE 67 H ALA 24 - HB2 LEU 70 HB2 ASP 26 - HB THR 33 HB3 ASP 26 - HB THR 33 Upper HB3 LYS 13 - H ALA 45 3.64 15 0.09 0.21 ++ +++++ +* ++++++ peak 6545 HG2 ARG 44 - H ALA 45 HG3 ARG 44 - H ALA 45 Upper HB3 LYS 13 - QB ALA 45 3.51 7 0.03 0.14 ++ + + * + + peak 8293 HB ILE 28 - QB ALA 45 HB3 PRO 43 - QB ALA 45 HB2 ARG 44 - QB ALA 45 QB ALA 45 - HB2 GLN 50 QB ALA 45 - HD2 LYS 58 Upper HB3 LYS 13 - HE1 TRP 60 3.20 14 0.18 0.42 +*+++ ++++++ + ++ peak 8053 HG LEU 36 - HE1 TRP 60 HB2 LEU 55 - HE1 TRP 60 HD2 LYS 58 - HE1 TRP 60 QG2 ILE 11 - HB2 LYS 13 QG2 ILE 11 - HG12 ILE 28 QG2 ILE 11 - HD2 LYS 52 QG2 ILE 11 - HG2 LYS 58 QG2 ILE 11 - HG12 ILE 67 Upper HB3 LYS 13 - H ALA 64 2.93 17 0.13 0.32 ++++++++ + +++++++ * peak 10118 HG LEU 36 - H ALA 64 HB2 LEU 55 - H ALA 64 QB ALA 62 - H ALA 64 H ALA 64 - HB2 ARG 66 H ALA 64 - HG13 ILE 67 QG2 VAL 21 - HG3 GLU 94 QD1 ILE 28 - HG3 GLU 94 QD1 ILE 90 - HG3 GLU 94 Upper HB3 LYS 13 - H ALA 64 2.93 14 0.09 0.17 ++*++++ + ++ + +++ peak 6656 HG LEU 36 - H ALA 64 HB2 LEU 55 - H ALA 64 QB ALA 62 - H ALA 64 H ALA 64 - HB2 ARG 66 H ALA 64 - HG13 ILE 67 H ASP 18 - HA GLN 49 HA GLN 49 - H ASP 53 H ASP 18 - HA LEU 51 HA LEU 51 - H ASP 53 H ASP 53 - HA ARG 66 H ASP 53 - HA ALA 95 Upper HB3 LYS 13 - HB VAL 103 3.73 8 0.05 0.31 ++ + + + * + + peak 9646 HB2 ARG 66 - HB VAL 103 HG13 ILE 67 - HB VAL 103 HB2 LEU 70 - HB VAL 103 H THR 37 - QB ALA 62 HE22 GLN 49 - QB ALA 62 QB ALA 62 - H ARG 66 Upper HB3 LYS 13 - HB VAL 103 4.09 6 0.04 0.18 + + + + * + peak 9997 HB2 ARG 66 - HB VAL 103 HG13 ILE 67 - HB VAL 103 HB2 LEU 70 - HB VAL 103 HG LEU 12 - HA TRP 80 HG2 ARG 44 - HA TRP 80 HG3 ARG 44 - HA TRP 80 HB2 ARG 66 - HA TRP 80 HG13 ILE 77 - HA TRP 80 HA TRP 80 - HB3 LEU 83 Upper HG2 LYS 13 - HA VAL 25 3.59 6 0.03 0.21 + + ++ + * peak 11022 HG3 LYS 13 - HA VAL 25 HB VAL 14 - HA VAL 25 HA VAL 25 - QD1 LEU 36 HA VAL 25 - HG LEU 51 HA VAL 25 - HB2 LYS 98 HA LEU 12 - QE MET 92 QE MET 92 - HA SER 105 Upper HG2 LYS 13 - HZ3 TRP 60 3.04 13 0.05 0.19 ++++ ++ * + ++ + ++ peak 10811 HG3 LYS 13 - HZ3 TRP 60 HB VAL 14 - HZ3 TRP 60 QD1 LEU 36 - HZ3 TRP 60 HD3 LYS 52 - HZ3 TRP 60 HZ3 TRP 60 - HG3 ARG 66 HZ3 TRP 60 - HB2 LYS 98 HZ3 TRP 60 - HD3 LYS 98 QE PHE 10 - HE21 GLN 27 HE21 GLN 27 - HZ3 TRP 60 HE21 GLN 27 - HH2 TRP 60 Upper HG2 LYS 13 - QD1 ILE 67 3.51 7 0.17 0.63 +++++ + * peak 8428 HG3 LYS 13 - QD1 ILE 67 QD1 LEU 36 - QD1 ILE 67 HB2 LEU 51 - QD1 ILE 67 HG LEU 51 - QD1 ILE 67 HD3 LYS 52 - QD1 ILE 67 HG3 ARG 66 - QD1 ILE 67 Upper HG2 LYS 13 - HA VAL 102 3.46 20 0.14 0.21 ++++++*+++++++++++++ peak 6987 HB VAL 14 - HA VAL 102 HB2 LYS 98 - HA VAL 102 HD3 LYS 98 - HA VAL 102 HA VAL 69 - H GLN 72 H GLN 72 - HA GLN 81 H GLN 72 - HA GLU 94 Upper HD2 LYS 13 - H ASP 46 3.04 11 0.07 0.36 ++++ + + + +* ++ peak 6554 HD3 LYS 13 - H ASP 46 QB ALA 45 - H ASP 46 Upper HD2 LYS 13 - HH2 TRP 80 4.07 12 0.07 0.29 ++++ +* ++++ + + peak 8802 HD3 LYS 13 - HH2 TRP 80 HB2 LEU 36 - HH2 TRP 80 HG2 PRO 43 - HH2 TRP 80 QB ALA 45 - HH2 TRP 80 HG3 LYS 58 - HH2 TRP 80 HB ILE 77 - HH2 TRP 80 HE2 LYS 13 - QB ALA 24 HE2 LYS 13 - QG1 VAL 102 Upper HE2 LYS 13 - QB ALA 45 4.48 10 0.04 0.17 ++ ++* ++ + ++ peak 9270 QB ALA 45 - HB2 ASP 46 Upper H VAL 14 - QB ALA 57 3.71 20 0.44 0.55 +++++++++++++*++++++ peak 9534 H GLU 56 - QB ALA 57 QB ALA 57 - H ILE 67 Upper H VAL 14 - H ALA 64 4.15 8 0.08 0.36 + ++ + +*++ peak 9390 H ILE 28 - H ALA 64 H GLU 56 - H ALA 64 H ALA 64 - H ILE 67 QD PHE 40 - HE22 GLN 50 HZ PHE 40 - HE22 GLN 50 HE22 GLN 50 - HD2 HIS 59 HE22 GLN 50 - H LYS 98 Upper H VAL 14 - HG12 ILE 67 3.34 20 0.30 0.36 +*++++++++++++++++++ peak 2116 H ILE 28 - HG12 ILE 67 H ASP 46 - HG12 ILE 67 H GLU 56 - HG12 ILE 67 H ILE 67 - HG12 ILE 67 Upper HB VAL 14 - QG2 THR 37 3.19 14 0.08 0.25 + ++++*+ + ++++++ peak 8260 QD1 LEU 36 - QG2 THR 37 QG2 THR 37 - HB2 LEU 51 QG2 THR 37 - HG LEU 51 QG2 THR 37 - HG3 ARG 66 Upper HB VAL 14 - H LYS 52 3.81 7 0.05 0.40 + *++ + + + peak 6650 QD1 LEU 36 - H LYS 52 H LYS 52 - HD3 LYS 52 H LYS 52 - HG3 ARG 66 H LYS 52 - HB2 LYS 98 Upper QG1 VAL 14 - HB2 TRP 16 5.10 7 0.03 0.28 ++ ++* ++ peak 8832 HB2 LEU 15 - HB2 TRP 16 HB2 TRP 16 - QG1 VAL 25 HB2 TRP 16 - HG13 ILE 28 HB2 TRP 16 - HG3 LYS 52 HB2 TRP 16 - QG2 THR 74 HB2 TRP 16 - QG1 VAL 76 Upper QG1 VAL 14 - QG1 VAL 21 3.71 17 0.08 0.20 + +++ ++*++++ ++++++ peak 8344 QG1 VAL 21 - HG13 ILE 28 QG1 VAL 21 - HG3 LYS 52 QG1 VAL 21 - QG1 VAL 76 QG2 ILE 11 - HG3 GLU 54 QD1 LEU 12 - HG3 GLU 54 QD1 LEU 17 - HG3 GLU 54 QD2 LEU 17 - HG3 GLU 54 QG2 VAL 25 - HG3 GLU 54 QD1 LEU 51 - HG3 GLU 54 HG3 GLU 54 - QG2 VAL 102 Upper QG1 VAL 14 - H ILE 28 3.43 10 0.14 0.52 + ++ +*++ + ++ peak 6362 QG1 VAL 25 - H ILE 28 H ILE 28 - HG13 ILE 28 H ILE 28 - HG3 LYS 52 H ILE 28 - QG2 THR 74 H ILE 28 - QG1 VAL 76 Upper QG1 VAL 14 - H VAL 29 3.88 20 0.74 1.27 +++++++++++++++++*++ peak 6371 QG1 VAL 25 - H VAL 29 HG13 ILE 28 - H VAL 29 H VAL 29 - HG3 LYS 52 H VAL 29 - QG2 THR 74 H VAL 29 - QG1 VAL 76 Upper QG1 VAL 14 - QD1 LEU 36 2.92 20 0.32 0.55 ++++++++++*+++++++++ peak 9170 HB2 LEU 15 - QD1 LEU 36 QG1 VAL 25 - QD1 LEU 36 HG13 ILE 28 - QD1 LEU 36 QD1 LEU 36 - QG2 THR 37 Upper QG1 VAL 14 - QD2 LEU 51 3.46 20 0.24 0.54 ++++*+++++++++++++++ peak 10911 HB2 LEU 15 - QD2 LEU 51 QG1 VAL 25 - QD2 LEU 51 QG2 THR 37 - QD2 LEU 51 QD2 LEU 51 - HG3 LYS 52 QD2 LEU 51 - QG2 THR 74 QD2 LEU 51 - QG1 VAL 76 Upper QG1 VAL 14 - HG3 GLU 75 4.23 6 0.01 0.08 + + +*++ peak 9948 QG1 VAL 25 - HG3 GLU 75 QG2 THR 74 - HG3 GLU 75 HG3 GLU 75 - QG1 VAL 76 Upper QG1 VAL 14 - QD1 ILE 77 4.06 8 0.03 0.09 *++ ++ ++ + peak 9977 HG3 LYS 52 - QD1 ILE 77 QG2 THR 74 - QD1 ILE 77 QG1 VAL 76 - QD1 ILE 77 Upper QG1 VAL 14 - HZ PHE 99 3.31 13 0.06 0.18 +++++* +++ + ++ + peak 2254 HG3 LYS 52 - HZ PHE 99 QG1 VAL 76 - HZ PHE 99 HA VAL 29 - HA ASN 71 HA ASN 71 - HB THR 74 HA ASN 71 - HA VAL 102 Upper QG1 VAL 14 - HA PHE 104 4.11 8 0.04 0.17 ++ ++++ *+ peak 10244 HG13 ILE 28 - HA PHE 104 HG3 LYS 52 - HA PHE 104 QG2 ILE 67 - HA PHE 104 QG1 VAL 76 - HA PHE 104 QG2 VAL 103 - HA PHE 104 Upper QG2 VAL 14 - HG12 ILE 23 3.26 11 0.05 0.15 + ++ + + + ++* ++ peak 10469 HG12 ILE 23 - QD2 LEU 51 QD2 LEU 51 - HG LEU 55 HG12 ILE 23 - HB2 LYS 52 HB2 LYS 52 - HG LEU 55 HG12 ILE 23 - HG12 ILE 77 HG2 GLN 27 - QD1 ILE 67 HG2 PRO 35 - QD1 ILE 67 HB2 GLN 49 - QD1 ILE 67 HB2 GLU 63 - QD1 ILE 67 QD1 ILE 67 - HG3 GLU 110 Upper H LEU 15 - QG2 ILE 23 3.30 8 0.02 0.09 ++ +* + ++ + peak 626 QG2 ILE 23 - H ALA 24 H ALA 24 - QG2 ILE 28 QG2 ILE 23 - H GLY 30 Upper H LEU 15 - QG2 ILE 23 3.73 12 0.06 0.21 +++* +++ + ++ + + peak 10302 H LEU 15 - QD1 ILE 23 H LEU 15 - QD2 LEU 36 H LEU 15 - HG2 LYS 52 HA LEU 12 - HA LEU 17 HA LEU 12 - HA GLN 27 HA LEU 17 - HA LEU 36 HA GLN 27 - HA LEU 36 Upper H LEU 15 - HA VAL 25 4.55 20 0.11 0.20 +++++++++++*++++++++ peak 10318 H ALA 24 - HA VAL 25 HA VAL 25 - H TRP 80 Upper H LEU 15 - QE TYR 39 4.23 11 0.07 0.19 + *+++ + ++ +++ peak 9577 H ALA 24 - QE TYR 39 H VAL 14 - H LYS 58 H GLU 56 - H LYS 58 H LYS 58 - H ILE 67 Upper H LEU 15 - QE TYR 39 4.18 10 0.03 0.14 + + +++ +++ * + peak 7042 H ALA 24 - QE TYR 39 HA ALA 57 - H THR 74 HA GLN 72 - H THR 74 Upper HA LEU 15 - HB3 SER 34 2.84 6 0.05 0.19 + * + +++ peak 954 HA SER 34 - HB3 SER 34 Upper HA LEU 15 - HG2 PRO 35 3.79 20 0.60 0.65 ++++*+++++++++++++++ peak 10944 HA SER 34 - HG2 PRO 35 Upper HA LEU 15 - HG3 PRO 35 3.70 20 0.69 0.72 ++++*+++++++++++++++ peak 10945 HA SER 34 - HG3 PRO 35 Upper HB2 LEU 15 - QD2 LEU 15 3.10 8 0.03 0.08 + * ++ + + ++ peak 406 QD2 LEU 15 - HG3 LYS 52 Upper HB2 LEU 15 - H TRP 16 4.47 17 0.07 0.13 +++ ++++ + ++*++++++ peak 6159 H TRP 16 - QG1 VAL 25 Upper HB2 LEU 15 - HB2 SER 105 3.96 20 0.17 0.44 ++++++++++++++*+++++ peak 8739 HB2 LEU 15 - HB3 SER 105 QG2 ILE 11 - H LYS 13 QG2 ILE 11 - H LEU 15 QG2 ILE 11 - H ALA 64 QG2 ILE 11 - H GLU 101 QG2 ILE 11 - H SER 105 Upper HB3 LEU 15 - H PHE 40 3.78 8 0.03 0.11 + *+ + + +++ peak 6654 HG13 ILE 23 - H PHE 40 HG12 ILE 28 - H PHE 40 H LYS 52 - H GLU 54 H LYS 52 - H LYS 84 Upper HB3 LEU 15 - HH2 TRP 48 3.76 9 0.08 0.47 + +*+ ++ + + + peak 9557 HH2 TRP 48 - HD2 LYS 52 HB2 LEU 15 - HE2 LYS 58 QG1 VAL 25 - HE2 LYS 58 QG1 VAL 25 - HE2 LYS 88 QG1 VAL 25 - HE3 LYS 88 QG2 THR 37 - HE2 LYS 58 HB3 GLN 50 - HE2 LYS 58 Upper HG LEU 15 - QD TYR 39 3.13 11 0.05 0.33 + +++* + +++ ++ peak 8217 HB2 ASP 26 - HB THR 33 HB3 ASP 26 - HB THR 33 Upper QD1 LEU 15 - HB2 TYR 39 3.74 6 0.03 0.18 + ++ + * + peak 8896 QB ALA 22 - HB2 TYR 39 HB2 TYR 39 - QD1 ILE 61 HA ILE 23 - H PHE 40 Upper QD1 LEU 15 - HB3 TYR 39 2.76 6 0.03 0.17 ++ + ++ * peak 6597 QB ALA 22 - HB3 TYR 39 H THR 8 - H GLN 50 H GLN 50 - H LYS 52 H GLN 50 - H ASN 87 Upper QD1 LEU 15 - QD1 LEU 55 3.72 7 0.05 0.29 + ++*+ ++ peak 9505 QB ALA 22 - QD1 LEU 55 QD1 LEU 55 - QD1 ILE 61 QG2 ILE 11 - H LEU 55 QG2 ILE 11 - H ASN 78 QD1 LEU 12 - H LEU 55 HG LEU 15 - H LEU 55 QD2 LEU 17 - H LEU 55 QG2 VAL 25 - H LEU 55 QD1 LEU 51 - H LEU 55 QD1 LEU 51 - H ASN 78 H LEU 55 - QG1 VAL 69 H ASN 78 - QG1 VAL 103 H LEU 55 - QD1 LEU 109 H ASN 78 - QD1 LEU 109 Upper QD1 LEU 15 - HD1 TRP 60 5.02 7 0.06 0.36 + + * + + ++ peak 9603 HD1 TRP 60 - QD1 ILE 61 Upper QD1 LEU 15 - H ILE 61 3.06 19 0.35 0.76 +++++++++++++*++ +++ peak 6804 QB ALA 22 - H ILE 61 H ILE 61 - QD1 ILE 61 Upper QD1 LEU 15 - HA ILE 61 3.40 8 0.10 0.43 +++ + ++ *+ peak 1905 QB ALA 22 - HA ILE 61 HA ILE 61 - QD1 ILE 61 Upper QD1 LEU 15 - H ALA 62 3.90 10 0.27 0.76 ++* + + +++ ++ peak 6813 QB ALA 22 - H ALA 62 QD1 ILE 61 - H ALA 62 Upper QD2 LEU 15 - H LEU 17 4.29 7 0.03 0.16 + + * ++ + + peak 8823 QD2 LEU 15 - QD PHE 41 QD2 LEU 15 - QE PHE 41 QD2 LEU 15 - HZ3 TRP 48 HZ3 TRP 48 - HG3 LYS 98 QD2 LEU 15 - HZ PHE 99 HG3 LYS 98 - HZ PHE 99 Upper QD2 LEU 15 - HB2 LYS 52 2.68 13 0.20 0.61 + + ++*+++ + ++++ peak 11149 HB2 LYS 52 - QD1 LEU 55 HB2 LYS 52 - QD1 LEU 70 QG2 VAL 21 - QG2 VAL 25 QG2 VAL 21 - QG2 ILE 28 QG2 VAL 21 - HG2 LYS 52 Upper QD2 LEU 15 - HG2 LYS 52 3.50 9 0.09 0.44 + ++ + ++ +* + peak 11264 HG2 LYS 52 - QD1 LEU 55 HG2 LYS 52 - QD1 LEU 70 HE22 GLN 96 - HA GLU 101 HE22 GLN 96 - HA VAL 103 Upper QD2 LEU 15 - HG2 LYS 52 3.10 9 0.16 0.42 + ++ + +* ++ + peak 10840 HG2 LYS 52 - QD1 LEU 55 HG2 LYS 52 - QD1 LEU 70 HB3 LEU 12 - HG3 LYS 52 HB3 LEU 12 - QG1 VAL 69 HB3 LEU 12 - HD2 LYS 98 HB3 LEU 12 - QG1 VAL 103 HB3 LEU 12 - QG2 VAL 103 HB2 LEU 17 - QG2 VAL 103 Upper QD2 LEU 15 - H LEU 55 3.45 20 0.20 0.39 +++++*++++++++++++++ peak 6706 H LEU 55 - QD1 LEU 55 QD1 LEU 55 - H ASN 78 H LEU 55 - QD1 LEU 70 QD1 LEU 70 - H ASN 78 Upper QD2 LEU 15 - HB VAL 69 3.68 20 0.23 0.31 +++++++*++++++++++++ peak 10472 QD1 LEU 55 - HB VAL 69 HB2 GLN 27 - QD1 LEU 70 HB3 GLN 27 - QD1 LEU 70 HB VAL 69 - QD1 LEU 70 Upper QD2 LEU 15 - QG1 VAL 69 2.84 12 0.10 0.28 + *+++ + ++++++ peak 8451 QD1 LEU 55 - QG1 VAL 69 QG1 VAL 69 - QD1 LEU 70 Upper QD2 LEU 15 - H LEU 70 3.18 20 0.14 0.35 +++++++++++++++*++++ peak 6951 QD1 LEU 55 - H LEU 70 H LEU 70 - QD1 LEU 70 Upper HB2 TRP 16 - QG2 VAL 21 4.33 13 0.09 0.28 +++++ *+++ ++ ++ peak 9448 QG2 VAL 21 - HB2 TRP 42 QG2 VAL 21 - HB3 TRP 42 QG2 VAL 21 - HA LYS 52 QG2 VAL 21 - HB3 PHE 99 H ASP 18 - H THR 37 H ALA 47 - H ASP 53 H ASP 18 - HE22 GLN 49 HE22 GLN 49 - H ASP 53 H ASP 18 - H ARG 66 H ASP 53 - H ARG 66 Upper HB2 TRP 16 - H LEU 70 5.13 10 0.05 0.17 + *+++ + ++++ peak 9825 HB3 ASP 46 - H LEU 70 HA LYS 52 - H LEU 70 H LEU 70 - HB3 ASN 71 H LEU 70 - HB3 ASN 87 H LEU 70 - HB3 PHE 99 Upper HE3 TRP 16 - QG2 VAL 76 3.41 15 0.10 0.25 +++++*+++ +++ ++ + peak 9188 QG2 VAL 76 - QD PHE 79 QG2 VAL 76 - H LYS 84 QG2 VAL 76 - HE22 GLN 96 QG2 THR 37 - HG3 GLU 54 QG2 THR 37 - HG2 GLN 89 QG2 THR 37 - HG3 GLN 89 QG2 THR 37 - HG3 GLU 94 Upper HE3 TRP 16 - QG2 VAL 76 3.79 7 0.03 0.15 + + +* + + + peak 1718 QG2 VAL 76 - QD PHE 79 QG2 VAL 76 - H LYS 84 QG2 VAL 76 - HE22 GLN 96 HA VAL 6 - HB3 GLU 56 HA ASP 53 - HB3 GLU 56 HB3 GLU 56 - HA LYS 58 HB3 GLU 56 - HA GLU 110 Upper HE3 TRP 16 - H PHE 79 3.94 19 0.12 0.21 ++++++++++*++ ++++++ peak 7147 H LEU 51 - H PHE 79 H VAL 69 - H PHE 79 H PHE 79 - QD PHE 79 H PHE 79 - H LYS 84 Upper HZ3 TRP 16 - HB2 GLN 50 3.84 8 0.04 0.15 ++ * +++ + + peak 9886 HZ2 TRP 16 - HD2 LYS 58 H VAL 25 - HD2 LYS 58 HD2 LYS 31 - HZ2 TRP 60 HD3 LYS 31 - HZ2 TRP 60 HD2 LYS 58 - HZ2 TRP 60 HZ2 TRP 60 - HG13 ILE 67 QD1 LEU 12 - HE22 GLN 72 QD1 LEU 17 - HE22 GLN 72 QD2 LEU 17 - HE22 GLN 72 HG2 LYS 52 - HE22 GLN 72 QD1 ILE 67 - HE22 GLN 72 QG2 VAL 69 - HE22 GLN 72 HE22 GLN 72 - QG2 ILE 90 HE22 GLN 72 - QG2 VAL 102 Upper HH2 TRP 16 - H GLN 50 4.73 12 0.06 0.20 ++ +*++ + ++ + + + peak 6595 H GLN 50 - HE22 GLN 50 Upper HH2 TRP 16 - HA GLN 50 4.55 12 0.03 0.11 +++ + ++ + + *++ + peak 1396 HZ2 TRP 48 - HA GLN 50 HA GLN 50 - HE22 GLN 50 Upper HH2 TRP 16 - H TRP 80 4.31 10 0.02 0.07 + +++ *++ ++ + peak 11037 HZ3 TRP 42 - H TRP 80 H TRP 80 - HE22 GLN 81 Upper H LEU 17 - HB2 ASN 20 4.12 9 0.03 0.16 ++ *++ + + + + peak 8112 HE22 GLN 19 - HB2 ASN 20 HB2 ASN 20 - QD PHE 41 HB2 ASN 20 - HH2 TRP 80 HB2 ASN 20 - HZ PHE 99 Upper HA LEU 17 - HB2 ASP 18 3.87 20 0.32 0.55 +++++++++++++++*++++ peak 8853 HA LEU 17 - HB3 ASP 18 HB2 ASP 18 - HA GLN 27 HB3 ASP 18 - HA GLN 27 Upper HA LEU 17 - HB ILE 28 4.10 20 0.54 0.62 +++++++++++++*++++++ peak 9032 HA GLN 27 - HB ILE 28 HB ILE 28 - HA PRO 35 HB ILE 28 - HA PHE 40 Upper HA LEU 17 - HG12 ILE 28 4.22 12 0.32 1.04 +++ +++ +++ ++ * peak 9040 HA GLN 27 - HG12 ILE 28 HG12 ILE 28 - HA PRO 35 HG12 ILE 28 - HA PHE 40 Upper HA LEU 17 - HG13 ILE 28 4.53 11 0.46 1.02 + ++ +++* ++++ peak 9043 HA GLN 27 - HG13 ILE 28 HG13 ILE 28 - HA PRO 35 HG13 ILE 28 - HA PHE 40 Upper HA LEU 17 - HB3 PHE 41 5.41 8 0.04 0.15 + + ++ *+ + + peak 9229 HA GLN 27 - HB3 PHE 41 HA PRO 35 - HB3 PHE 41 HA PHE 40 - HB3 PHE 41 Upper HB3 LEU 17 - H ALA 57 4.57 17 0.16 0.32 +++ + +++*+++++++ ++ peak 6737 HB2 PHE 41 - H ALA 57 HG2 GLN 50 - H ALA 57 HG2 GLU 54 - H ALA 57 HG2 GLU 56 - H ALA 57 H ALA 57 - HG2 GLU 75 Upper HB3 LEU 17 - HA GLN 72 3.45 6 0.04 0.28 + + +*++ peak 8104 HG2 GLU 54 - HA GLN 72 HA GLN 72 - HG2 GLU 75 HA GLN 72 - HB2 GLN 81 HA GLN 72 - HB2 PRO 100 HA GLN 72 - HB2 GLU 101 QD2 LEU 15 - QE TYR 39 Upper HB3 LEU 17 - H GLU 101 2.98 19 0.15 0.43 +++++*++++++ +++++++ peak 7264 HG2 GLU 54 - H GLU 101 HB2 GLN 81 - H GLU 101 HB2 PRO 100 - H GLU 101 H GLU 101 - HB2 GLU 101 Upper HB3 LEU 17 - H GLU 101 2.98 19 0.15 0.43 +++++*++++++ +++++++ peak 7257 HG3 GLN 19 - H GLU 101 HG2 GLU 54 - H GLU 101 HB2 GLN 81 - H GLU 101 HB2 PRO 100 - H GLU 101 H GLU 101 - HB2 GLU 101 Upper H ASP 18 - HA GLN 49 3.55 16 0.15 0.33 + ++ ++++ +++*+++++ peak 9692 HA GLN 49 - H ASP 53 H ASP 18 - HA LEU 51 HA LEU 51 - H ASP 53 H ASP 53 - HA ARG 66 H ASP 53 - HB3 TRP 80 H ASP 53 - HA ALA 95 HA HIS 59 - H ALA 64 HA ALA 62 - H ALA 64 H ALA 64 - HA GLN 72 Upper H ASP 18 - HE21 GLN 49 4.55 14 0.11 0.69 ++ + ++ ++ +++++*+ peak 9363 H TRP 48 - HE21 GLN 49 HE21 GLN 49 - H ASP 53 HE21 GLN 49 - H ALA 73 Upper H ASP 18 - H LEU 51 3.79 8 0.03 0.21 + + +*+ + + + peak 9692 H TRP 48 - H LEU 51 H LEU 51 - H ASP 53 H ASP 53 - H LYS 84 H LEU 51 - H ALA 73 H ALA 73 - H LYS 84 H LEU 51 - H ILE 77 H LEU 51 - H VAL 103 H LEU 51 - H GLU 110 HA HIS 59 - H ALA 64 HA ALA 62 - H ALA 64 H ALA 64 - HA GLN 72 Upper H ASP 18 - HD2 LYS 52 4.86 10 0.12 0.33 + + ++++ * +++ peak 1560 H TRP 48 - HD2 LYS 52 HD2 LYS 52 - H ASP 53 HD2 LYS 52 - H ALA 73 Upper H ASP 18 - H LEU 70 3.44 12 0.07 0.21 ++ ++ ++ + * +++ + peak 8117 H TRP 48 - H LEU 70 H ASP 53 - H LEU 70 H LEU 70 - H ALA 73 H LEU 70 - H VAL 103 HB2 TRP 16 - QG1 VAL 21 QG1 VAL 21 - HB2 TRP 42 QG1 VAL 21 - HB3 TRP 42 QG1 VAL 21 - HA LYS 52 Upper H ASP 18 - H LEU 70 3.91 10 0.03 0.10 + ++++ + *+ + + peak 10141 H TRP 48 - H LEU 70 H ASP 53 - H LEU 70 H LEU 70 - H ALA 73 H LEU 70 - H VAL 103 HH2 TRP 60 - H GLY 97 HE22 GLN 86 - H GLY 97 H GLY 97 - H PHE 99 Upper HB2 ASP 18 - HB3 GLN 19 4.77 16 0.16 0.34 ++ ++++++++ +++ + +* peak 8847 HB3 ASP 18 - HB3 GLN 19 HB2 ASP 18 - HB2 GLN 27 HB3 ASP 18 - HB2 GLN 27 HB2 ASP 18 - HB3 GLN 27 HB3 ASP 18 - HB3 GLN 27 Upper HA GLN 19 - H LEU 70 3.82 6 0.02 0.08 +*+ + + + peak 9146 HA TRP 60 - H LEU 70 HA ASN 68 - H LEU 70 H LEU 70 - HA PRO 100 HZ2 TRP 16 - QD2 LEU 36 H VAL 25 - QD2 LEU 36 QD2 LEU 36 - HZ2 TRP 60 QD2 LEU 36 - H GLY 97 Upper HA GLN 19 - QD1 LEU 83 2.96 6 0.02 0.12 + ++ + + * peak 10812 QD1 LEU 83 - HA LYS 88 QD1 LEU 83 - HA GLN 89 QE PHE 10 - HE22 GLN 27 HE22 GLN 27 - HZ3 TRP 60 HE22 GLN 27 - HH2 TRP 60 Upper HB2 GLN 19 - H GLN 50 3.65 17 0.21 0.43 ++++++* ++++++++ ++ peak 6584 HB3 GLN 49 - H GLN 50 H GLN 50 - HB2 GLU 75 H GLN 50 - HB3 GLU 75 H GLN 50 - HB2 GLN 86 H GLN 50 - HG2 GLN 86 Upper HG3 GLN 19 - HA GLN 50 3.59 11 0.07 0.23 + + ++ +++ +* ++ peak 1393 HA GLN 50 - HG2 GLN 50 HA GLN 50 - HG2 GLU 56 HA GLN 50 - HG2 GLU 75 Upper HE21 GLN 19 - HD21 ASN 68 4.49 17 0.67 0.90 ++++++++ ++++*++ + + peak 6908 H ARG 44 - HD21 ASN 68 H ASN 68 - HD21 ASN 68 Upper HE22 GLN 19 - HA GLN 49 4.55 7 0.04 0.16 * + + + + + + peak 9354 HZ3 TRP 48 - HA GLN 49 HZ3 TRP 48 - HA LEU 51 HA GLN 49 - HZ PHE 99 HA LEU 51 - HZ PHE 99 Upper H ASN 20 - QG1 VAL 21 4.44 6 0.05 0.27 + + + + * + peak 8875 QG1 VAL 21 - HH2 TRP 42 QG1 VAL 21 - HE3 TRP 80 QG1 VAL 21 - QD PHE 99 Upper H ASN 20 - H ALA 47 4.86 15 0.18 0.56 ++++++ ++++ + *++ + peak 9264 HZ3 TRP 42 - H ALA 47 H ALA 47 - HZ2 TRP 48 H ALA 47 - HE22 GLN 50 Upper H ASN 20 - HB3 PRO 100 4.54 20 0.45 0.65 +++++*++++++++++++++ peak 10178 H PHE 99 - HB3 PRO 100 QD PHE 99 - HB3 PRO 100 Upper HA ASN 20 - HB2 PRO 100 4.83 20 0.65 0.81 ++++++++++++*+++++++ peak 8583 HA VAL 25 - HB2 PRO 100 HA PHE 99 - HB2 PRO 100 Upper HA ASN 20 - HG2 PRO 100 3.53 20 0.31 0.56 ++++++++++++*+++++++ peak 10186 HA PHE 99 - HG2 PRO 100 HA PHE 99 - HG3 PRO 100 Upper QG1 VAL 21 - QD1 LEU 36 3.21 8 0.02 0.08 + +* + + + ++ peak 9978 QD1 LEU 36 - QD2 LEU 55 QD1 LEU 36 - HB2 LYS 58 QD1 LEU 36 - QG2 ILE 61 HA ALA 73 - QD1 ILE 77 QD1 ILE 77 - HB2 PHE 79 QD1 ILE 77 - HA LYS 84 QD1 ILE 77 - HA LYS 98 Upper QG1 VAL 21 - QB ALA 57 4.37 16 0.11 0.23 +++++ +*++++++ +++ peak 9544 QD2 LEU 55 - QB ALA 57 QB ALA 57 - HB2 LYS 58 QB ALA 57 - QG2 ILE 61 QB ALA 57 - QG2 VAL 76 Upper QG1 VAL 21 - QD1 ILE 77 3.69 18 0.08 0.22 + +++++++++++* +++++ peak 9976 QD2 LEU 55 - QD1 ILE 77 QG2 VAL 76 - QD1 ILE 77 Upper QG1 VAL 21 - H TRP 80 3.74 8 0.05 0.23 + ++++*+ + peak 8271 QD2 LEU 55 - H TRP 80 QG2 VAL 76 - H TRP 80 HB2 SER 38 - QE PHE 40 HB2 SER 38 - HZ PHE 40 HB2 SER 38 - QE PHE 99 Upper QG2 VAL 21 - H ILE 28 3.53 11 0.20 0.50 +++ *++ + ++++ peak 6363 H ILE 28 - QD1 ILE 28 H ILE 28 - QD1 ILE 90 Upper QG2 VAL 21 - HB ILE 28 3.10 8 0.04 0.13 + *+ ++ +++ peak 757 HB ILE 28 - QD1 ILE 28 HB ILE 28 - QD1 ILE 90 Upper QG2 VAL 21 - H VAL 29 3.38 20 0.47 0.87 +++++++++++++++++++* peak 6372 QD1 ILE 28 - H VAL 29 H VAL 29 - QD1 ILE 90 Upper QG2 VAL 21 - HA3 GLY 32 3.60 8 0.05 0.19 *+ + + ++++ peak 11255 QG1 VAL 29 - HA3 GLY 32 QG2 VAL 29 - HA3 GLY 32 QE PHE 10 - QD2 LEU 55 QE PHE 10 - QG2 VAL 76 HH2 TRP 42 - QG2 VAL 76 QG2 VAL 76 - HZ PHE 79 QG2 VAL 76 - H PHE 99 Upper QG2 VAL 21 - H ALA 95 4.03 8 0.06 0.37 + + ++ + *+ + peak 9149 QD1 ILE 28 - H ALA 95 QD1 ILE 90 - H ALA 95 HD1 TRP 16 - QD2 LEU 36 HE21 GLN 27 - QD2 LEU 36 QD2 LEU 36 - QD PHE 40 QD2 LEU 36 - HD1 TRP 60 Upper H ALA 22 - HG3 GLU 54 4.50 20 0.34 0.48 +++*++++++++++++++++ peak 1652 HG3 GLU 54 - H LEU 55 HG3 GLU 54 - H THR 74 HG3 GLU 54 - H ASN 78 HG3 GLU 54 - H ASP 82 Upper H ALA 22 - QG1 VAL 76 3.29 20 0.12 0.17 ++++++++++*+++++++++ peak 2345 H THR 74 - QG2 THR 74 H THR 74 - QG1 VAL 76 QG2 THR 74 - H ASN 78 QG1 VAL 76 - H ASN 78 QG2 THR 74 - H ASP 82 Upper QB ALA 22 - H PHE 41 3.13 19 0.15 0.27 +++++++++*+++++++ ++ peak 8154 QB ALA 22 - H TRP 42 QB ALA 22 - H ALA 62 HB2 PHE 10 - QG1 VAL 25 QG1 VAL 25 - HE3 LYS 52 QG1 VAL 25 - HD2 ARG 66 Upper H ILE 23 - H ALA 24 4.05 20 0.38 0.45 +++++*++++++++++++++ peak 6291 H ALA 24 - H GLU 63 H ALA 24 - H ILE 90 Upper HA ILE 23 - QD1 ILE 23 4.11 13 0.03 0.07 +++ +++ ++*++ + + peak 609 Upper HB ILE 23 - H GLU 56 3.85 6 0.05 0.34 + ++* + + peak 6719 HG12 ILE 23 - H GLU 56 HB3 PRO 35 - H GLU 56 HB3 LEU 36 - H GLU 56 HG LEU 55 - H GLU 56 H GLU 56 - HB3 ARG 66 H GLU 56 - HB2 GLN 96 Upper HB ILE 23 - H ALA 64 4.10 11 0.08 0.29 * + +++ + + + +++ peak 10295 HB3 GLU 56 - H ALA 64 H ALA 64 - HB ILE 67 H ALA 64 - HB3 GLU 110 HZ2 TRP 16 - HG2 LYS 58 HZ2 TRP 16 - HG LEU 83 HZ2 TRP 16 - HG3 LYS 88 Upper QG2 ILE 23 - HG12 ILE 23 3.14 7 0.02 0.05 + + +++ * + peak 623 Upper QG2 ILE 23 - H ALA 24 3.34 20 0.21 0.37 ++++++++++++++++*+++ peak 6294 H ALA 24 - QG2 ILE 28 H ALA 24 - QD2 LEU 36 H ALA 24 - HG2 LYS 52 H ALA 24 - QD1 ILE 67 H ALA 24 - QG2 VAL 69 H ALA 24 - QG2 ILE 90 H ALA 24 - QG2 VAL 102 Upper QG2 ILE 23 - HB VAL 25 3.40 17 0.25 0.66 +++++++*++ ++ +++++ peak 10181 QG2 ILE 23 - HB3 LYS 88 QD1 ILE 23 - HB VAL 25 QD1 ILE 23 - HB3 LYS 88 HB VAL 25 - QD2 LEU 36 HB VAL 25 - HB3 LEU 55 HE21 GLN 19 - HB3 PRO 100 HD21 ASN 20 - HB3 PRO 100 H GLU 54 - HB3 PRO 100 H GLU 94 - HB3 PRO 100 HE22 GLN 96 - HB3 PRO 100 Upper QG2 ILE 23 - HA ALA 64 3.27 7 0.05 0.32 + +*+ + ++ peak 8879 QD2 LEU 36 - HA ALA 64 HG2 LYS 52 - HA ALA 64 HA ALA 64 - QD1 ILE 67 QD1 ILE 67 - HA ALA 93 HA ALA 64 - QG2 VAL 69 HB VAL 21 - HE1 TRP 80 Upper QG2 ILE 23 - HA ALA 64 3.26 19 0.24 0.45 ++++++++ ++++++++++* peak 9301 QD2 LEU 36 - HA ALA 64 HG2 LYS 52 - HA ALA 64 HA ALA 64 - QD1 ILE 67 QD1 ILE 67 - HA ALA 93 HA ALA 64 - QG2 VAL 69 HA TRP 48 - H LEU 51 HA TRP 48 - H VAL 69 HA TRP 48 - QD PHE 79 HA TRP 48 - H LYS 84 Upper QG2 ILE 23 - QB ALA 64 3.46 19 0.41 0.58 ++++*+++ +++++++++++ peak 11215 QD2 LEU 36 - QB ALA 64 QB ALA 64 - QD1 ILE 67 H PHE 10 - H THR 33 H VAL 29 - H THR 33 H THR 33 - H LEU 70 Upper QG2 ILE 23 - QG2 ILE 67 2.40 6 0.02 0.07 ++ ++ + * peak 2114 QG2 ILE 28 - QG2 ILE 67 QD2 LEU 36 - QG2 ILE 67 HG2 LYS 52 - QG2 ILE 67 HB3 LEU 55 - QG2 ILE 67 QG2 ILE 67 - QD1 ILE 67 QG2 ILE 67 - QG2 VAL 69 Upper HG12 ILE 23 - HB3 PHE 40 3.78 18 0.14 0.37 ++++ + ++++*++++++++ peak 9080 HG12 ILE 23 - HB3 TRP 48 HG12 ILE 23 - HA ILE 77 HG LEU 55 - HA ILE 77 H ASP 26 - H VAL 29 H VAL 29 - H SER 34 Upper HG12 ILE 23 - HB3 PHE 40 4.01 7 0.05 0.29 *+ + + + ++ peak 9187 HG12 ILE 23 - HB3 TRP 48 HG12 ILE 23 - HA ILE 77 HG LEU 55 - HA ILE 77 HB2 PHE 10 - QG2 THR 37 QG2 THR 37 - HE2 LYS 58 QG2 THR 37 - HB2 ASN 78 QG2 THR 37 - HE2 LYS 88 QG2 THR 37 - HE3 LYS 88 Upper HG12 ILE 23 - H ILE 67 3.53 14 0.19 0.58 ++++++ + + + +++*+ peak 6875 HB VAL 25 - H ILE 67 HB3 LEU 36 - H ILE 67 HG LEU 55 - H ILE 67 H ASP 46 - HB3 ARG 66 HB3 ARG 66 - H ILE 67 H ILE 67 - HB3 LYS 88 H ILE 67 - HB2 GLN 96 Upper HG13 ILE 23 - H ILE 67 3.38 20 0.26 0.32 +*++++++++++++++++++ peak 6883 HG12 ILE 28 - H ILE 67 HD2 LYS 52 - H ILE 67 H ILE 67 - HG12 ILE 67 Upper H ALA 24 - QB ALA 73 4.00 6 0.01 0.08 + + + * + + peak 8227 H GLY 30 - QB ALA 73 H ASN 71 - QB ALA 73 H LEU 12 - QG2 THR 33 H TRP 16 - QG2 THR 33 H GLN 27 - QG2 THR 33 Upper HA ALA 24 - HA2 GLY 30 4.47 12 0.04 0.09 ++ +++ + ++* + ++ peak 8205 HA ILE 28 - HA2 GLY 30 HA VAL 29 - HA2 GLY 30 HA2 GLY 30 - HA VAL 102 HA2 GLY 30 - HA3 GLY 106 HA2 GLY 30 - HA LEU 109 Upper HA ALA 24 - HB THR 37 4.23 15 0.08 0.24 +++++++++ +++ +*+ peak 9182 HA ILE 28 - HB THR 37 HB THR 37 - HA SER 38 HB THR 37 - HB THR 74 Upper HA ALA 24 - QG2 THR 37 4.65 10 0.05 0.16 ++++ + *+ ++ + peak 9183 QG2 THR 37 - HA SER 38 Upper HA ALA 24 - QD2 LEU 109 2.91 16 0.32 0.44 *++++ + ++++ ++++++ peak 3028 HA ILE 28 - QD2 LEU 109 HA VAL 29 - QD2 LEU 109 HA VAL 102 - QD2 LEU 109 HA LEU 109 - QD2 LEU 109 Upper QB ALA 24 - H GLU 101 5.17 19 0.39 0.51 +*++++++++++ +++++++ peak 10203 HG2 LYS 98 - H GLU 101 H GLU 101 - QG1 VAL 102 Upper HA VAL 25 - QG1 VAL 25 3.03 7 0.02 0.12 +++ + + + * peak 678 QG1 VAL 25 - HA PHE 99 Upper H ASP 26 - H THR 33 4.05 20 0.35 0.47 +++++++++++++*++++++ peak 6422 H THR 33 - H SER 34 Upper H ASP 26 - QG2 THR 33 3.14 20 0.14 0.33 ++++++++*+++++++++++ peak 944 QG2 THR 33 - H SER 34 Upper HA ASP 26 - HG3 GLN 27 4.83 17 0.26 0.42 +++++++ +*+ +++++++ peak 11276 HA ASP 26 - HB2 PRO 35 HA ASP 26 - HB3 GLU 54 HA ASP 26 - HG2 GLU 63 HA ASP 26 - HG3 GLU 63 HA ASP 26 - HG12 ILE 90 HA ASP 26 - HB VAL 102 Upper H GLN 27 - HG2 GLN 27 3.76 15 0.41 0.67 ++++++++ * ++ ++ + + peak 6328 H GLN 27 - HG2 PRO 35 Upper H GLN 27 - HG2 GLN 27 4.38 12 0.06 0.13 +++++++ * + ++ + peak 725 Upper H GLN 27 - HG3 GLN 27 3.68 16 0.19 0.61 +++ +++ +++ +*+++++ peak 6329 H GLN 27 - HB2 PRO 35 H GLN 27 - HB VAL 102 Upper HB2 GLN 27 - HE21 GLN 27 3.73 10 0.04 0.13 +++ *+ + +++ + peak 6337 HB3 GLN 27 - HE21 GLN 27 Upper HB2 GLN 27 - HE22 GLN 27 4.02 10 0.03 0.10 +++ *+ + +++ + peak 6345 HB3 GLN 27 - HE22 GLN 27 Upper HB2 GLN 27 - H ILE 28 3.40 15 0.28 0.48 +*+++++ ++ ++++ ++ peak 6352 HB3 GLN 27 - H ILE 28 Upper HB2 GLN 27 - H ILE 28 3.40 15 0.28 0.48 +*+++++ ++ ++++ ++ peak 6353 HB3 GLN 27 - H ILE 28 H ILE 28 - HB ILE 90 Upper HB2 GLN 27 - QG1 VAL 29 3.61 20 0.16 0.28 +++++++++++++*++++++ peak 9383 HB3 GLN 27 - QG1 VAL 29 HB2 GLN 27 - QG2 VAL 29 HB3 GLN 27 - QG2 VAL 29 QD PHE 40 - H GLN 50 HZ PHE 40 - H GLN 50 H GLN 50 - HD2 HIS 59 H GLN 50 - H LYS 98 Upper HB2 GLN 27 - QG1 VAL 29 3.51 18 0.35 0.58 ++++++++ ++++*++ +++ peak 9770 HB3 GLN 27 - QG1 VAL 29 HB2 GLN 27 - QG2 VAL 29 HB3 GLN 27 - QG2 VAL 29 HG LEU 17 - HE21 GLN 81 HG3 LYS 31 - HD21 ASN 68 HB3 LYS 52 - HD21 ASN 68 HD3 LYS 58 - HD21 ASN 68 QB ALA 64 - HD21 ASN 68 Upper HB2 GLN 27 - QG2 VAL 29 3.19 20 0.29 0.43 +++++++++++++*++++++ peak 6840 HB3 GLN 27 - QG2 VAL 29 QG2 VAL 29 - HB2 LYS 31 QG2 VAL 29 - HB VAL 69 H ILE 23 - H ASP 65 H TRP 60 - H GLU 63 H GLU 63 - H ASP 65 Upper HB2 GLN 27 - QG2 VAL 29 3.26 14 0.07 0.28 +++ ++ ++++ + + *++ peak 8906 HB3 GLN 27 - QG2 VAL 29 QG2 VAL 29 - HB2 LYS 31 QG2 VAL 29 - HB VAL 69 HG12 ILE 23 - H PHE 40 H PHE 40 - HG LEU 55 Upper HB2 GLN 27 - HA LYS 31 2.67 20 0.25 0.31 +*++++++++++++++++++ peak 825 HB3 GLN 27 - HA LYS 31 HA LYS 31 - HB2 LYS 31 HA LYS 31 - HB3 LEU 70 Upper HB2 GLN 27 - HG LEU 36 3.27 7 0.02 0.09 ++ + * + ++ peak 2254 HB3 GLN 27 - HG LEU 36 HG LEU 36 - HB ILE 90 HG LEU 36 - HG13 ILE 90 HA VAL 29 - HA ASN 71 HA ASN 71 - HB THR 74 HA ASN 71 - HA VAL 102 Upper HB2 GLN 27 - H VAL 69 3.10 20 0.39 0.44 +*++++++++++++++++++ peak 6931 HB3 GLN 27 - H VAL 69 H VAL 69 - HB VAL 69 H VAL 69 - HB3 LEU 70 H VAL 69 - HB2 GLN 72 H VAL 69 - HB ILE 90 H VAL 69 - HG13 ILE 90 H VAL 69 - HB2 GLU 94 Upper HB3 GLN 27 - QG1 VAL 29 3.66 6 0.03 0.17 + + + + + * peak 11251 HB2 GLN 27 - QG2 VAL 29 HB3 GLN 27 - QG2 VAL 29 QD2 LEU 15 - HG LEU 17 HG13 ILE 11 - HB2 LYS 52 HG LEU 17 - HB2 LYS 52 HG13 ILE 11 - QD1 LEU 55 HG LEU 17 - QD1 LEU 55 HG13 ILE 11 - QD1 LEU 70 Upper HG2 GLN 27 - HE22 GLN 27 3.46 16 0.14 0.61 ++++++++++ +++ *++ peak 6346 Upper HG2 GLN 27 - H ILE 28 3.64 8 0.14 0.58 ++ ++ + * ++ peak 6354 H ILE 28 - HG2 PRO 35 H ILE 28 - HG3 GLN 50 H ILE 28 - HB2 GLU 63 Upper HG2 GLN 27 - H SER 34 4.27 13 0.26 0.76 +++*++++ + + ++ + peak 10349 H SER 34 - HG2 PRO 35 Upper HG2 GLN 27 - HB3 SER 34 4.01 10 0.16 0.49 + ++ *+ + ++ ++ peak 8557 HB3 SER 34 - HG2 PRO 35 HB3 SER 34 - HG3 GLN 50 Upper HG2 GLN 27 - QD1 LEU 36 3.68 18 0.19 0.31 ++++++ +++++*++ ++++ peak 8254 HG2 PRO 35 - QD1 LEU 36 QD1 LEU 36 - HG3 GLN 50 Upper HG2 GLN 27 - QD2 LEU 36 4.50 17 0.14 0.49 + ++++++*++++++++ + peak 10351 HG2 PRO 35 - QD2 LEU 36 QD2 LEU 36 - HB2 GLN 49 QD2 LEU 36 - HG3 GLN 50 QD2 LEU 36 - QE MET 92 Upper HG2 GLN 27 - H ALA 64 3.27 20 0.23 0.38 ++++++++++++*+++++++ peak 6831 HG2 PRO 35 - H ALA 64 HB2 GLU 63 - H ALA 64 H ALA 64 - HG12 ILE 90 H ALA 64 - HG3 GLU 110 Upper HG3 GLN 27 - HE22 GLN 27 3.41 20 0.35 0.69 +++++++*++++++++++++ peak 6347 Upper HG3 GLN 27 - H ILE 28 3.67 15 0.30 0.73 +++++++* + ++ ++ + + peak 6355 H ILE 28 - HB2 PRO 35 H ILE 28 - HG2 GLU 63 H ILE 28 - HG3 GLU 63 H ILE 28 - HB VAL 102 Upper HG3 GLN 27 - QG1 VAL 29 3.95 14 0.17 0.44 +++ ++++++ + +*++ peak 9515 QG1 VAL 29 - HB2 PRO 35 QG1 VAL 29 - HB VAL 102 QG1 VAL 14 - HG2 GLU 56 HB2 LEU 15 - HG2 GLU 56 HG13 ILE 28 - HG2 GLU 56 HG3 LYS 52 - HG2 GLU 56 HG2 GLU 56 - QG2 ILE 67 HG2 GLU 56 - QG2 THR 74 HG2 GLU 56 - QG1 VAL 76 Upper HG3 GLN 27 - H ALA 64 3.19 10 0.04 0.25 + ++++ * ++ ++ peak 6834 HB2 PRO 35 - H ALA 64 HG2 GLU 63 - H ALA 64 HG3 GLU 63 - H ALA 64 H ALA 64 - HG3 GLN 96 H ALA 64 - HG2 GLU 110 Upper HG3 GLN 27 - H ILE 67 3.72 8 0.03 0.18 + + ++ * + ++ peak 9150 HG2 GLU 63 - H ILE 67 HG3 GLU 63 - H ILE 67 HD1 TRP 16 - QD1 LEU 36 HE21 GLN 27 - QD1 LEU 36 QD1 LEU 36 - QD PHE 40 QD1 LEU 36 - HD1 TRP 60 Upper HE22 GLN 27 - HB THR 74 3.77 11 0.04 0.10 ++ ++* +++++ + peak 2359 HD1 TRP 48 - HB THR 74 HE21 GLN 49 - HB THR 74 HB THR 74 - HD22 ASN 78 HB THR 74 - HE21 GLN 89 HA GLU 75 - HB3 ASN 78 HA GLU 75 - HB2 ASN 85 Upper H ILE 28 - HG2 GLU 63 3.13 18 0.24 0.43 ++++++++*++++++++ + peak 9105 H ILE 28 - HG3 GLU 63 HG2 GLU 63 - H ILE 67 HG3 GLU 63 - H ILE 67 HG12 ILE 28 - QG2 THR 33 Upper H ILE 28 - HB2 ASN 68 4.27 11 0.10 0.69 + ++++++++ + * peak 8442 H ILE 28 - HB3 ASN 68 H ASP 46 - HB2 ASN 68 H ASP 46 - HB3 ASN 68 H GLU 56 - HB2 ASN 68 H GLU 56 - HB3 ASN 68 H ILE 67 - HB2 ASN 68 H ILE 67 - HB3 ASN 68 Upper HA ILE 28 - HG12 ILE 28 3.63 8 0.02 0.06 +++ ++* + + peak 768 HG12 ILE 28 - HA VAL 29 Upper HA ILE 28 - HG13 ILE 28 3.61 7 0.04 0.15 + ++ + +*+ peak 776 HG13 ILE 28 - HA VAL 29 Upper HA ILE 28 - HG13 ILE 28 3.56 8 0.07 0.22 + ++ ++ +*+ peak 748 Upper HB ILE 28 - HA THR 33 4.64 14 0.06 0.22 + + ++++ *++++ +++ peak 10739 HB ILE 28 - HA PHE 104 HB3 LYS 13 - QE TYR 39 QE TYR 39 - HB2 GLN 50 QE TYR 39 - HB2 LEU 55 QE TYR 39 - HG13 ILE 67 QE TYR 39 - HB2 LEU 70 Upper QG2 ILE 28 - HG12 ILE 28 2.87 17 0.16 0.33 ++++++++++ *++++++ peak 763 HG12 ILE 28 - QG2 ILE 90 QG2 ILE 28 - HG12 ILE 67 Upper QG2 ILE 28 - HG2 GLU 94 3.94 9 0.06 0.33 ++++ + + *++ peak 11150 QD1 ILE 67 - HG2 GLU 94 QG2 VAL 69 - HG2 GLU 94 QG2 ILE 90 - HG2 GLU 94 QB ALA 22 - HB2 PHE 41 QB ALA 22 - HG2 GLN 50 Upper HG12 ILE 28 - H VAL 29 4.00 20 1.10 1.28 +++++++++*++++++++++ peak 6370 H VAL 29 - HD2 LYS 52 H VAL 29 - HG2 LYS 58 H VAL 29 - HG2 ARG 66 H VAL 29 - HG12 ILE 67 Upper HG12 ILE 28 - H ASN 68 4.62 20 0.31 0.41 ++++++++++*+++++++++ peak 6897 HD2 LYS 52 - H ASN 68 HG12 ILE 67 - H ASN 68 Upper HG13 ILE 28 - HA THR 33 4.13 9 0.36 1.25 + +++ ++ +*+ peak 10177 HG13 ILE 28 - HA PHE 104 HE21 GLN 27 - HD3 PRO 100 HD3 PRO 100 - QD PHE 104 Upper HG13 ILE 28 - HE1 TRP 48 4.17 9 0.03 0.17 ++* + + + +++ peak 10965 HE1 TRP 48 - HG3 LYS 52 HE1 TRP 48 - QG2 THR 74 HE1 TRP 48 - QG1 VAL 76 H ASN 20 - HG3 GLN 96 QE PHE 79 - HG3 GLN 96 HE22 GLN 86 - HG3 GLN 89 HE22 GLN 86 - HG3 GLN 96 HG3 GLN 96 - H PHE 99 HG3 GLN 96 - QD PHE 99 HG3 GLN 96 - QE PHE 104 Upper H VAL 29 - QG1 VAL 29 2.77 6 0.02 0.09 + * ++ + + peak 6375 H VAL 29 - QG2 VAL 29 Upper H VAL 29 - HA3 GLY 30 4.17 20 0.21 0.55 ++++++++++++++++*+++ peak 9067 H VAL 29 - HB THR 33 H VAL 29 - HA LEU 70 Upper H VAL 29 - QB ALA 73 2.99 20 0.27 0.44 +++++++++++*++++++++ peak 8392 H LEU 70 - QB ALA 73 QB ALA 73 - H PHE 79 HD3 LYS 58 - QB ALA 62 QB ALA 62 - QB ALA 64 Upper HA LYS 31 - HB2 LYS 31 2.88 12 0.04 0.10 +* + + + +++ ++ ++ peak 835 Upper HA LYS 31 - HG2 LYS 31 3.09 20 0.32 0.51 ++++++++++++++++++*+ peak 857 Upper HA LYS 31 - HD2 LYS 31 2.88 19 0.38 0.62 +++++++++++++*++++ + peak 830 HA LYS 31 - HD3 LYS 31 HA LYS 31 - HD2 LYS 58 HA LYS 31 - HB2 LEU 70 Upper HA LYS 31 - HE2 LYS 31 4.09 10 0.24 0.48 + + + +++ + + + * peak 832 HA LYS 31 - HE3 LYS 31 Upper HA LYS 31 - H GLY 32 3.20 14 0.17 0.34 +++*+++ + ++ ++ ++ peak 6403 Upper HA LYS 31 - HE22 GLN 86 4.91 11 0.06 0.27 ++ +++ + * ++ ++ peak 7515 HA GLN 86 - HE22 GLN 86 HE22 GLN 86 - HA ASN 87 Upper HB2 LYS 31 - HD2 LYS 31 2.59 20 0.51 0.73 ++++++++++++++++++*+ peak 841 HB2 LYS 31 - HD3 LYS 31 Upper HB3 LYS 31 - HE2 LYS 31 3.12 20 0.20 0.28 +++++++++++++++++++* peak 914 HB3 LYS 31 - HE3 LYS 31 Upper HB3 LYS 31 - H GLY 32 3.88 8 0.07 0.42 +++ + *+ + + peak 6405 H GLY 32 - HB3 LYS 88 Upper HG2 LYS 31 - HD2 LYS 31 2.49 11 0.02 0.04 + + * +++ + + + ++ peak 893 HG2 LYS 31 - HD3 LYS 31 Upper HG3 LYS 31 - H GLY 32 4.53 20 0.38 0.51 +++++++++++++++++*++ peak 6407 H GLY 32 - HD3 LYS 58 H GLY 32 - HB2 LYS 88 Upper HG3 LYS 31 - QD2 LEU 36 3.51 10 0.07 0.60 ++ *++ + + + ++ peak 9085 QD2 LEU 36 - HD3 LYS 58 QD2 LEU 36 - QB ALA 64 QD2 LEU 36 - HG LEU 83 QG1 VAL 29 - H GLY 32 QG1 VAL 29 - HD22 ASN 68 Upper HG3 LYS 31 - HA LYS 58 4.01 16 0.27 0.54 +++++*+++++++ ++ + peak 1756 HA LYS 58 - HD3 LYS 58 Upper HG3 LYS 31 - HE1 TRP 60 4.12 6 0.04 0.17 + + * ++ + peak 11021 HD3 LYS 58 - HE1 TRP 60 HA THR 33 - QE MET 92 QE MET 92 - HA PHE 104 Upper HD2 LYS 31 - H LYS 58 3.64 8 0.12 0.56 + + ++ + *+ + peak 6751 HD3 LYS 31 - H LYS 58 HB2 LEU 55 - H LYS 58 H LYS 58 - HD2 LYS 58 Upper HD2 LYS 31 - HA LYS 58 4.06 8 0.13 0.59 + + ++ ++ + * peak 1805 HD3 LYS 31 - HA LYS 58 HA LYS 58 - HD2 LYS 58 Upper HD3 LYS 31 - HA LYS 58 3.89 14 0.22 0.72 + ++++++ ++ ++ ++* peak 1755 HB2 LEU 55 - HA LYS 58 HA LYS 58 - HD2 LYS 58 Upper HE2 LYS 31 - HG2 LYS 52 3.90 17 0.19 0.32 + *++++ +++++++++++ peak 1576 HE3 LYS 31 - HG2 LYS 52 HG2 LYS 52 - HE2 LYS 52 Upper H GLY 32 - HA2 GLY 32 2.92 7 0.01 0.04 *++ + + + + peak 6412 Upper H GLY 32 - H THR 33 3.48 19 0.23 0.65 +++ ++++++++++*+++++ peak 6414 Upper H GLY 32 - HA ASN 68 3.99 17 0.16 0.24 ++++++++ +++*+++ + + peak 2145 HA ASN 68 - HD22 ASN 68 Upper HA2 GLY 32 - H THR 33 2.76 10 0.22 0.81 * ++++++ + + + peak 6417 Upper HA3 GLY 32 - H THR 33 2.78 10 0.31 0.69 +++ + +++ + *+ peak 6418 Upper H THR 33 - HB THR 33 3.44 20 0.37 0.45 ++++++++++*+++++++++ peak 6420 H THR 33 - HA LEU 70 Upper H THR 33 - HB THR 33 3.75 18 0.06 0.14 ++++++++++*+ ++++++ peak 935 Upper H THR 33 - QG2 THR 33 3.28 17 0.10 0.23 ++++++++ ++++ ++*+ + peak 940 Upper HA THR 33 - HB2 SER 34 4.20 19 0.38 0.54 * ++++++++++++++++++ peak 9116 HB2 SER 34 - HA PHE 104 Upper HA THR 33 - HB2 SER 34 4.44 13 0.09 0.20 * ++ ++ +++++++ + peak 9110 HA THR 33 - HD3 PRO 35 Upper HA THR 33 - HB3 SER 34 4.00 20 0.21 0.64 +*++++++++++++++++++ peak 9117 HB3 SER 34 - HA PHE 104 Upper HA THR 33 - HB VAL 103 4.34 16 0.28 0.51 ++++++ + +++++++ + * peak 10229 HB VAL 103 - HA PHE 104 Upper HA THR 33 - QG1 VAL 103 4.00 8 0.05 0.29 + + + ++ * + + peak 10233 QG1 VAL 103 - HA PHE 104 QG2 VAL 103 - HA PHE 104 Upper HA SER 34 - HB2 SER 34 2.93 14 0.06 0.10 + ++ ++ *+++++++ + peak 950 Upper HA SER 34 - HB3 SER 34 2.87 6 0.05 0.16 + * + +++ peak 948 Upper HB2 PRO 35 - H GLU 63 3.44 20 0.51 0.55 ++++++++*+++++++++++ peak 9664 H GLU 63 - HG2 GLU 63 H GLU 63 - HG3 GLU 63 Upper HB2 PRO 35 - H GLU 110 3.96 10 0.03 0.09 + + + + +++*+ + peak 7366 H GLU 110 - HG2 GLU 110 Upper HB3 PRO 35 - QD1 LEU 36 3.05 11 0.06 0.13 +*++ + +++ +++ peak 1060 HB3 LEU 36 - QD1 LEU 36 QD1 LEU 36 - HG LEU 55 Upper HG2 PRO 35 - HG2 GLU 63 2.40 6 0.02 0.12 + * + + + + peak 1988 HB2 GLU 63 - HG2 GLU 63 HB2 GLU 63 - HG3 GLU 63 Upper HG2 PRO 35 - HB2 GLU 110 2.81 9 0.05 0.10 ++ + ++ + +* + peak 3055 HB2 GLU 110 - HG3 GLU 110 Upper HG2 PRO 35 - HB3 GLU 110 2.82 10 0.02 0.05 * ++ +++++ ++ peak 3062 HB3 GLU 110 - HG3 GLU 110 Upper HG3 PRO 35 - H ARG 44 3.36 8 0.04 0.12 + ++ + + + +* peak 6533 HG3 PRO 43 - H ARG 44 H ARG 44 - HB3 ARG 44 H ARG 44 - HB2 GLU 56 H ARG 44 - HG3 GLU 56 Upper HG3 PRO 35 - HG2 GLU 110 2.58 9 0.07 0.17 ++ ++ + + ++ * peak 3066 HB2 GLU 56 - HG2 GLU 110 HG3 GLU 56 - HG2 GLU 110 HB2 GLU 110 - HG2 GLU 110 Upper HG3 PRO 35 - HG3 GLU 110 2.77 20 0.08 0.14 ++++++++++++++++*+++ peak 3073 HB2 GLU 110 - HG3 GLU 110 Upper HD2 PRO 35 - HE21 GLN 50 5.02 15 0.10 0.35 +++++ +* +++++++ + peak 6600 HA GLN 50 - HE21 GLN 50 Upper HD2 PRO 35 - HE22 GLN 50 4.53 17 0.04 0.13 +++ ++ +++++ ++*++++ peak 6608 HB3 SER 38 - HE22 GLN 50 HA GLN 50 - HE22 GLN 50 HE22 GLN 50 - HA LEU 55 HE22 GLN 50 - HB3 PHE 79 HE22 GLN 50 - HA LEU 83 Upper HD2 PRO 35 - HA GLU 56 4.08 20 0.50 0.60 ++++++++++*+++++++++ peak 9527 HA GLN 50 - HA GLU 56 HA LEU 55 - HA GLU 56 HA GLU 56 - HA GLU 63 HA GLU 56 - HA GLN 96 Upper HD2 PRO 35 - H ALA 57 3.30 11 0.09 0.29 ++ + + +* ++++ + peak 8053 HA GLN 50 - H ALA 57 HA LEU 55 - H ALA 57 H ALA 57 - HA GLU 63 H ALA 57 - HA LEU 83 H ALA 57 - HA GLN 96 QG2 ILE 11 - HB2 LYS 13 QG2 ILE 11 - HG12 ILE 28 QG2 ILE 11 - HD2 LYS 52 QG2 ILE 11 - HG2 LYS 58 QG2 ILE 11 - HG12 ILE 67 Upper HD2 PRO 35 - HG2 LYS 58 3.94 13 0.11 0.29 *++ + ++ +++ + +++ peak 11152 HA GLN 50 - HG2 LYS 58 HA LEU 55 - HG2 LYS 58 HG2 LYS 58 - HA GLU 63 HG2 LYS 58 - HA LEU 83 HG2 LYS 58 - HA GLN 96 QB ALA 22 - HZ PHE 41 QB ALA 22 - HD1 TRP 42 Upper HB2 LEU 36 - QD1 LEU 36 2.84 9 0.09 0.26 +++ + +++ * + peak 1059 QD1 LEU 36 - HG3 LYS 58 Upper HB2 LEU 36 - H GLU 56 3.87 20 0.20 0.30 +++++*++++++++++++++ peak 9512 QB ALA 47 - H GLU 56 H GLU 56 - QB ALA 57 H GLU 56 - HG3 LYS 58 H GLU 56 - HG LEU 70 Upper HB2 LEU 36 - HD2 LYS 58 2.62 15 0.23 0.39 *+++++ +++ +++ +++ peak 1809 HG2 PRO 43 - HD2 LYS 58 QB ALA 45 - HB2 GLN 50 HG3 LYS 58 - HD2 LYS 58 Upper HB2 LEU 36 - HE3 LYS 58 3.44 12 0.07 0.19 +++++ *++ +++ + peak 1842 HG3 LYS 58 - HE3 LYS 58 Upper HB2 LEU 36 - HD1 TRP 60 3.76 12 0.09 0.45 + ++ ++ + *+++++ peak 9150 HG3 LYS 58 - HD1 TRP 60 HD1 TRP 16 - QD1 LEU 36 HE21 GLN 27 - QD1 LEU 36 QD1 LEU 36 - QD PHE 40 QD1 LEU 36 - HD1 TRP 60 Upper HB2 LEU 36 - HZ2 TRP 60 2.94 9 0.21 0.89 + ++ ++ * ++ + peak 6635 HG3 LYS 58 - HZ2 TRP 60 H THR 8 - H LYS 52 H GLN 50 - H LYS 52 H LYS 52 - H LYS 88 Upper HB3 LEU 36 - HA THR 37 5.10 9 0.25 0.60 +*+ + +++ + + peak 9157 Upper HG LEU 36 - H ALA 57 4.29 8 0.06 0.31 + + ++ + *++ peak 9538 HB2 LEU 55 - H ALA 57 H ALA 57 - HB3 LYS 58 H ALA 57 - QB ALA 62 H ALA 57 - HB2 ARG 66 H ALA 57 - HG13 ILE 67 H ALA 57 - HG13 ILE 77 H ALA 57 - HB3 LEU 83 Upper HG LEU 36 - HD2 LYS 58 2.51 12 0.13 0.41 + ++++++++ + +* peak 1807 HG2 ARG 44 - HD2 LYS 58 HG3 ARG 44 - HD2 LYS 58 HD2 LYS 31 - HB3 LYS 58 HD3 LYS 31 - HB3 LYS 58 HB3 LYS 58 - HD2 LYS 58 Upper HG LEU 36 - QB ALA 64 3.03 10 0.05 0.19 + * +++ + + + ++ peak 9441 HB3 LYS 58 - QB ALA 64 QB ALA 62 - QB ALA 64 QB ALA 64 - HB2 ARG 66 QB ALA 64 - HG13 ILE 67 QB ALA 64 - HB3 LEU 83 HD1 TRP 48 - HE2 LYS 52 HE2 LYS 31 - HE21 GLN 49 HE3 LYS 31 - HE21 GLN 49 HE21 GLN 49 - HE2 LYS 52 HE2 LYS 52 - HD22 ASN 78 HE2 LYS 52 - HE21 GLN 86 Upper HG LEU 36 - H ARG 66 3.08 15 0.04 0.10 +++++ +* ++++ ++++ peak 6859 HB2 LEU 55 - H ARG 66 QB ALA 62 - H ARG 66 H ARG 66 - HB2 ARG 66 H ARG 66 - HG13 ILE 67 Upper QD1 LEU 36 - H THR 37 4.07 19 0.17 0.33 ++++++++++*+++++ +++ peak 1064 QD1 LEU 36 - HE22 GLN 49 QD1 LEU 36 - H ARG 66 Upper QD1 LEU 36 - HH2 TRP 48 4.23 8 0.07 0.45 +++ + + ++* peak 8861 HH2 TRP 48 - HD3 LYS 52 HH2 TRP 48 - HG3 ARG 66 HH2 TRP 48 - HD2 LYS 84 HH2 TRP 48 - HB2 LYS 98 H ASN 20 - HE1 TRP 80 Upper QD1 LEU 36 - QG2 ILE 61 3.73 9 0.06 0.23 +++++ ++* + peak 10295 HD3 LYS 52 - QG2 ILE 61 QG2 ILE 61 - HG3 ARG 66 HZ2 TRP 16 - HD3 LYS 58 HZ2 TRP 16 - HG LEU 83 HZ2 TRP 16 - HG3 LYS 88 Upper QD1 LEU 36 - QG2 ILE 61 3.61 10 0.04 0.28 +++ + + * ++++ peak 8209 HD3 LYS 52 - QG2 ILE 61 QG2 ILE 61 - HG3 ARG 66 HB2 SER 9 - H GLY 32 HB3 SER 9 - H GLY 32 HA2 GLY 30 - H GLY 32 H GLY 32 - HB3 SER 34 Upper QD2 LEU 36 - HD3 LYS 58 3.54 6 0.03 0.22 ++ + + +* peak 7153 HB3 LEU 55 - HD3 LYS 58 HD3 LYS 58 - QD1 ILE 67 HB3 TRP 48 - H TRP 80 HA ILE 77 - H TRP 80 Upper QD2 LEU 36 - HE2 LYS 58 3.25 13 0.08 0.24 + ++++ ++* +++ + + peak 8241 HB3 LEU 55 - HE2 LYS 58 HE2 LYS 58 - QD1 ILE 67 QD PHE 10 - QD1 LEU 36 QD1 LEU 36 - H LYS 58 Upper QD2 LEU 36 - HE1 TRP 60 4.45 13 0.10 0.28 + + ++ + +*+++ +++ peak 10746 HB3 LEU 55 - HE1 TRP 60 HE1 TRP 60 - QD1 ILE 67 QG1 VAL 14 - QE TYR 39 HB2 LEU 15 - QE TYR 39 QE TYR 39 - HG3 LYS 52 QE TYR 39 - QG2 ILE 67 Upper QD2 LEU 36 - HZ2 TRP 60 4.36 6 0.02 0.15 *++ + + + peak 11103 HG2 LYS 52 - HZ2 TRP 60 HB3 LEU 55 - HZ2 TRP 60 QG1 VAL 21 - HA TRP 80 QG2 VAL 76 - HA TRP 80 Upper QD2 LEU 36 - HG2 GLU 63 2.73 6 0.02 0.12 +++ ++* peak 8022 QD2 LEU 36 - HG3 GLU 63 HG2 GLU 63 - QD1 ILE 67 HG3 GLU 63 - QD1 ILE 67 HG2 GLU 63 - QG2 ILE 90 HG3 GLU 63 - QG2 ILE 90 H VAL 6 - QG2 THR 8 QG2 THR 8 - H PHE 10 QG2 THR 8 - H VAL 29 QG2 THR 8 - H LEU 70 Upper H THR 37 - HG2 GLU 63 4.50 9 0.06 0.21 +++ * + + + + + peak 8972 H THR 37 - HG3 GLU 63 HE22 GLN 49 - HG2 GLU 63 HE22 GLN 49 - HG3 GLU 63 HG2 GLU 63 - H ARG 66 HG3 GLU 63 - H ARG 66 QB ALA 24 - QE TYR 39 QB ALA 24 - HE21 GLN 50 Upper H THR 37 - QD1 ILE 67 4.37 10 0.05 0.17 *++++ + +++ + peak 9734 HE22 GLN 49 - QD1 ILE 67 H ARG 66 - QD1 ILE 67 QD1 ILE 67 - HD22 ASN 71 Upper HA THR 37 - HB2 SER 38 3.92 20 0.63 0.73 +++++++++++++++*++++ peak 8273 Upper HA THR 37 - HB3 SER 38 4.07 20 0.56 0.66 +++++++++++++++*++++ peak 8274 Upper HB2 SER 38 - H TYR 39 3.48 16 0.16 0.30 +++++++++ ++++ ++ * peak 1089 HB2 SER 38 - H LEU 51 HB2 SER 38 - QD PHE 79 Upper HB3 SER 38 - H TYR 39 3.31 20 0.21 0.30 +++++*++++++++++++++ peak 1094 HB3 SER 38 - H LEU 51 HB3 SER 38 - QD PHE 79 Upper HA TYR 39 - QE TYR 39 5.27 15 0.21 0.36 +++ ++++ *++++ +++ peak 1100 HA TYR 39 - HE21 GLN 50 Upper QD PHE 40 - HB2 LEU 51 3.64 12 0.08 0.22 + ++ ++ *++ ++ ++ peak 10234 HZ PHE 40 - HB2 LEU 51 HB2 LEU 51 - H LYS 98 H VAL 14 - QG1 VAL 103 H VAL 14 - QG2 VAL 103 H ILE 28 - QG1 VAL 103 H ASP 46 - QG1 VAL 103 H ILE 67 - QG1 VAL 103 H ILE 67 - QG2 VAL 103 Upper QD PHE 40 - HB2 LEU 51 4.25 7 0.05 0.26 + + +* ++ + peak 10437 HZ PHE 40 - HB2 LEU 51 HB2 LEU 51 - H LYS 98 HB2 TYR 39 - HB3 ASP 53 HB2 GLN 49 - HB3 ASP 53 HG3 GLN 50 - HB3 ASP 53 HB3 ASP 53 - QE MET 92 Upper QD PHE 40 - HB3 GLU 54 3.32 7 0.02 0.08 + ++ + + + * peak 10234 QD PHE 40 - HB3 GLU 94 QE PHE 40 - HB3 GLU 54 QE PHE 40 - HB3 GLU 94 HZ PHE 40 - HB3 GLU 54 HZ PHE 40 - HB3 GLU 94 HB3 GLU 54 - HE22 GLN 72 HE22 GLN 72 - HB3 GLU 94 H VAL 14 - QG1 VAL 103 H VAL 14 - QG2 VAL 103 H ILE 28 - QG1 VAL 103 H ASP 46 - QG1 VAL 103 H ILE 67 - QG1 VAL 103 H ILE 67 - QG2 VAL 103 Upper QD PHE 41 - QG2 ILE 61 4.01 20 0.17 0.33 +++++++++++*++++++++ peak 8382 H TRP 60 - QG2 ILE 61 QG2 ILE 61 - H ASP 65 QG2 ILE 61 - HH2 TRP 80 Upper QD PHE 41 - H ALA 62 3.41 8 0.02 0.04 +++ * + + + + peak 6987 H TRP 60 - H ALA 62 H ALA 62 - H ASP 65 H ALA 62 - HH2 TRP 80 HA VAL 69 - H GLN 72 H GLN 72 - HA GLN 81 H GLN 72 - HA GLU 94 Upper QE PHE 41 - HG3 GLU 56 4.72 14 0.07 0.19 +++ + + + +++ +++ *+ peak 1739 HG3 GLU 56 - H ALA 57 HG3 GLU 56 - H LYS 58 HG3 GLU 56 - H ILE 61 HG3 GLU 56 - HD22 ASN 108 Upper HB2 TRP 42 - QB ALA 45 4.32 7 0.03 0.19 + +++ + + * peak 8300 HB3 TRP 42 - QB ALA 45 QB ALA 45 - HB3 ASP 46 Upper HB2 TRP 42 - HD3 LYS 52 4.39 18 0.15 0.48 + ++++++++++ *++++++ peak 1562 HB3 TRP 42 - HD3 LYS 52 HA LYS 52 - HD3 LYS 52 Upper HZ3 TRP 42 - HA LEU 70 4.26 12 0.07 0.23 ++* ++ + ++++ + + peak 9077 HZ2 TRP 48 - HA LEU 70 HE22 GLN 27 - QG1 VAL 29 QG1 VAL 29 - HD1 TRP 48 Upper HZ2 TRP 42 - QG2 VAL 76 4.13 19 0.17 0.30 +*++++++++++++ +++++ peak 11257 H GLU 75 - QG2 VAL 76 QG2 VAL 76 - H LEU 83 QG2 VAL 76 - H ALA 95 Upper HH2 TRP 42 - QG2 ILE 77 3.70 8 0.03 0.14 +++ * + + + + peak 9095 HE3 TRP 48 - QG2 ILE 77 HZ2 TRP 48 - QG2 ILE 77 QG2 ILE 77 - QE PHE 79 QG2 ILE 77 - QD PHE 99 QD1 ILE 11 - HA LYS 31 QG1 VAL 29 - HA LYS 31 HA LYS 31 - QD2 LEU 36 HA LYS 31 - HG2 LYS 52 HA LYS 31 - QG2 VAL 69 Upper HB2 PRO 43 - HG3 LYS 88 3.27 9 0.06 0.20 ++ ++ *+ ++ + peak 8065 QD1 ILE 77 - HG3 LYS 88 QD2 LEU 83 - HG3 LYS 88 H ILE 11 - HA LEU 17 H ILE 11 - HA GLN 27 H ILE 11 - HA PRO 35 H ILE 11 - HA PHE 40 Upper HG3 PRO 43 - QB ALA 57 3.91 18 0.11 0.36 +++ + +++++++++++*++ peak 8357 HB2 GLU 54 - QB ALA 57 HB2 GLU 56 - QB ALA 57 HG3 GLU 56 - QB ALA 57 QB ALA 57 - HB3 GLU 63 QB ALA 57 - HB3 LEU 70 Upper H ARG 44 - HG2 ARG 44 3.49 7 0.15 0.57 +++ * ++ + peak 6535 H ARG 44 - HG3 ARG 44 Upper H ARG 44 - QG2 ILE 67 3.55 6 0.01 0.07 ++ * +++ peak 2115 H GLN 49 - QG2 ILE 67 QG2 ILE 67 - H ASN 68 Upper H ARG 44 - HG12 ILE 67 4.53 20 0.42 0.52 ++++++++++*+++++++++ peak 2123 H GLN 49 - HG12 ILE 67 HG12 ILE 67 - H ASN 68 HG12 ILE 67 - H GLN 86 Upper H ARG 44 - QD1 ILE 67 4.20 14 0.23 0.48 ++++++ ++ + ++*++ peak 2139 H GLN 49 - QD1 ILE 67 QD1 ILE 67 - H ASN 68 QD1 ILE 67 - H GLN 86 Upper H ARG 44 - H PHE 79 5.13 12 0.04 0.15 + + ++++++++*+ peak 9994 H GLN 49 - H PHE 79 H ASN 68 - H PHE 79 HD21 ASN 78 - H PHE 79 H PHE 79 - H GLN 86 Upper HA ARG 44 - HG2 ARG 44 2.96 8 0.03 0.12 +++ * + + ++ peak 1256 HA ARG 44 - HG3 ARG 44 Upper HB2 ARG 44 - H ASN 68 3.83 20 0.29 0.46 ++++++++++++++++*+++ peak 6898 HG2 ARG 44 - H ASN 68 HG3 ARG 44 - H ASN 68 HG13 ILE 67 - H ASN 68 H ASN 68 - HB2 LEU 70 Upper H TRP 48 - HE1 TRP 48 4.29 16 0.12 0.35 +++ ++++++++*++ ++ peak 9308 HE1 TRP 48 - H ASP 53 HE1 TRP 48 - H ALA 73 Upper H TRP 48 - QD2 LEU 70 3.60 8 0.08 0.46 + + + ++ + +* peak 11020 H ASP 53 - QD2 LEU 70 QD2 LEU 70 - H ALA 73 HE21 GLN 27 - QE MET 92 QE MET 92 - QD PHE 104 Upper H TRP 48 - QD2 LEU 70 3.74 16 0.07 0.22 +++ + +++ ++++ +++*+ peak 9533 H ASP 53 - QD2 LEU 70 QD2 LEU 70 - H ALA 73 H LEU 55 - QB ALA 57 QB ALA 57 - H THR 74 QB ALA 57 - H ASN 78 Upper HA TRP 48 - HE3 TRP 48 4.76 6 0.02 0.12 * + + + + + peak 9299 Upper HA TRP 48 - HE1 TRP 48 4.01 8 0.04 0.20 + + +*+ ++ + peak 9342 HE1 TRP 48 - HA ILE 67 HE1 TRP 48 - HA THR 74 Upper HE3 TRP 48 - HG3 LYS 98 4.46 8 0.04 0.20 * +++ + + + + peak 10699 HG3 LYS 98 - H PHE 99 HG3 LYS 98 - QD PHE 99 Upper HE1 TRP 48 - QD1 LEU 55 3.75 9 0.04 0.18 + + *++ + + + + peak 10316 HE1 TRP 48 - QD1 LEU 70 HE2 LYS 13 - QB ALA 24 QB ALA 24 - HB2 ASP 46 Upper HZ3 TRP 48 - QG2 VAL 69 3.70 15 0.07 0.14 +++++++* + ++++ ++ peak 10488 H ALA 57 - QG2 VAL 69 H ILE 61 - QG2 VAL 69 QG2 VAL 69 - HE21 GLN 72 QG2 VAL 69 - HZ PHE 99 H HIS 7 - HA ASN 71 H SER 9 - HA ASN 71 H ALA 22 - HA ASN 71 HA ASN 71 - H THR 74 HA ASN 71 - H ASP 82 Upper HZ2 TRP 48 - HA LEU 70 3.04 13 0.21 0.76 +++ +++ +++ + +*+ peak 10873 HG3 LYS 31 - QD1 LEU 36 QD1 LEU 36 - HD3 LYS 58 QD1 LEU 36 - QB ALA 64 QD1 LEU 36 - HG LEU 83 Upper HZ2 TRP 48 - QD2 LEU 70 3.87 9 0.04 0.16 *++ + + + + + + peak 9147 HE22 GLN 27 - QD2 LEU 36 QD2 LEU 36 - HD1 TRP 48 Upper H GLN 49 - HG2 GLN 49 4.31 16 0.21 0.29 +++++++ ++++++++ * peak 9360 HG2 GLN 49 - HD21 ASN 78 HG2 GLN 49 - H GLN 86 Upper H GLN 49 - HG3 GLN 49 4.19 10 0.04 0.13 *+++++ + ++ + peak 9361 HG3 GLN 49 - HD21 ASN 78 HG3 GLN 49 - H GLN 86 Upper H GLN 49 - HE21 GLN 86 3.52 20 0.15 0.19 +++*++++++++++++++++ peak 7506 HD21 ASN 78 - HE21 GLN 86 H LEU 83 - HE21 GLN 86 H GLN 86 - HE21 GLN 86 HE21 GLN 86 - HD22 ASN 87 Upper H GLN 49 - HG2 GLU 94 4.36 8 0.02 0.17 + + ++ * + + + peak 2615 H GLU 75 - HG2 GLU 94 H LEU 83 - HG2 GLU 94 HG2 GLU 94 - H ALA 95 Upper H GLN 49 - HG3 GLU 94 4.78 15 0.06 0.13 ++ + +++* ++++++++ peak 2622 H GLU 75 - HG3 GLU 94 H LEU 83 - HG3 GLU 94 H GLN 86 - HG3 GLU 94 HG3 GLU 94 - H ALA 95 Upper HA GLN 49 - HB VAL 69 3.79 18 0.10 0.21 ++++++++++ +++*+++ + peak 9668 HB2 GLN 27 - HA LEU 51 HB3 GLN 27 - HA LEU 51 HA LEU 51 - HB VAL 69 HB2 GLN 27 - HA ARG 66 HB3 GLN 27 - HA ARG 66 HA ARG 66 - HB VAL 69 HB VAL 69 - HA ALA 95 H TRP 60 - HA GLU 63 HA GLU 63 - H ASP 65 Upper HB2 GLN 49 - HE21 GLN 49 4.69 20 0.13 0.15 +++++++++++++*++++++ peak 6568 Upper HB3 GLN 49 - HE21 GLN 49 3.38 19 0.18 0.27 +++++++++++++++++*+ peak 6569 HE21 GLN 49 - HB2 GLU 75 HE21 GLN 49 - HB3 GLU 75 HE21 GLN 49 - HB2 GLN 86 Upper HG2 GLN 49 - HE21 GLN 49 3.20 20 0.55 0.62 +++++++++*++++++++++ peak 6570 Upper HG2 GLN 49 - H GLN 50 4.08 16 0.17 0.72 +++++++* ++ + +++++ peak 6585 H GLN 50 - HB2 GLU 75 H GLN 50 - HB3 GLU 75 H GLN 50 - HB2 GLN 86 H GLN 50 - HG2 GLN 86 Upper HG3 GLN 49 - HE21 GLN 49 3.40 20 0.67 0.68 +++++++++++++++++++* peak 6571 Upper HG3 GLN 49 - HE22 GLN 49 3.25 20 0.25 0.27 +++++++++++++++++++* peak 6578 Upper HG3 GLN 49 - HE22 GLN 49 3.43 19 0.07 0.09 +++++++++ +++++++++* peak 1387 HG3 GLN 49 - H ARG 66 Upper HG3 GLN 49 - H ASP 65 3.20 20 0.14 0.31 ++++++++++++*+++++++ peak 6846 H TRP 60 - HB2 ASP 65 H ASP 65 - HB2 ASP 65 H ASP 65 - HE2 LYS 98 H ASP 65 - HE3 LYS 98 Upper HE21 GLN 49 - HE3 LYS 52 3.77 9 0.03 0.09 + * +++ + + + + peak 8817 HE21 GLN 49 - HE3 LYS 84 HB2 PHE 10 - HD22 ASN 78 HE3 LYS 52 - HD22 ASN 78 HB2 PHE 10 - HE21 GLN 86 HE3 LYS 52 - HE21 GLN 86 HE3 LYS 84 - HE21 GLN 86 QG2 VAL 14 - HE3 TRP 60 QG2 VAL 14 - QE PHE 79 QG2 VAL 14 - H PHE 99 QG2 VAL 14 - QD PHE 99 QG2 VAL 14 - QE PHE 104 Upper HE22 GLN 49 - HB3 LYS 52 3.09 13 0.05 0.24 +++ +++ + *+++ ++ peak 8673 HE22 GLN 49 - QB ALA 64 HE22 GLN 49 - HB2 LYS 88 QG1 VAL 6 - QG2 THR 8 QG2 VAL 6 - QG2 THR 8 Upper H GLN 50 - HA ASN 87 2.88 20 0.23 0.31 +++*++++++++++++++++ peak 3376 HA ASN 87 - H LYS 88 Upper HA GLN 50 - HG3 LYS 58 3.75 12 0.05 0.24 ++ ++ +++++* + + peak 10846 HA LEU 55 - HG3 LYS 58 HG3 LYS 58 - HA GLU 63 HG2 PRO 43 - HA LEU 83 HG3 LYS 58 - HA LEU 83 HE3 TRP 16 - QD PHE 99 H LEU 51 - QD PHE 99 H VAL 69 - QD PHE 99 QD PHE 79 - QD PHE 99 Upper HA GLN 50 - HG3 LYS 58 3.76 15 0.35 0.62 +++++ ++++++ * +++ peak 8815 HA LEU 55 - HG3 LYS 58 HG3 LYS 58 - HA GLU 63 HG2 PRO 43 - HA LEU 83 HG3 LYS 58 - HA LEU 83 QG2 VAL 14 - H ALA 22 QG2 VAL 14 - H LEU 55 QG2 VAL 14 - H THR 74 QG2 VAL 14 - H ASN 78 Upper HA GLN 50 - HG2 LYS 88 3.39 12 0.07 0.20 + +++ + + +++* ++ peak 10173 HA LEU 83 - HG2 LYS 88 HG2 LYS 88 - HA GLN 96 HE21 GLN 19 - HA PRO 100 HD21 ASN 20 - HA PRO 100 HE22 GLN 96 - HA PRO 100 Upper H LEU 51 - QD1 LEU 51 3.86 9 0.11 0.28 +++ * +++ ++ peak 1482 QD1 LEU 51 - H VAL 69 QD1 LEU 51 - QD PHE 79 Upper H LEU 51 - QD2 LEU 51 4.04 8 0.02 0.11 + +* + +++ + peak 1474 QD2 LEU 51 - H VAL 69 Upper H LEU 51 - QD2 LEU 51 3.84 17 0.21 0.36 +++++ ++*+++++++ ++ peak 6629 H LEU 51 - HB2 LYS 52 H LEU 51 - HG3 LYS 98 Upper H LEU 51 - HB VAL 69 3.10 20 0.47 0.50 +++++++++++++++*++++ peak 2176 HB2 GLN 27 - H VAL 69 HB3 GLN 27 - H VAL 69 H VAL 69 - HB VAL 69 HB VAL 69 - QD PHE 79 HB VAL 69 - H GLU 94 Upper HA LEU 51 - QD2 LEU 51 3.63 16 0.15 0.44 +++++* ++ ++++++++ peak 1444 HA LEU 51 - HB2 LYS 52 HA LEU 51 - HG3 LYS 98 Upper HA LEU 51 - QD2 LEU 51 3.77 8 0.05 0.31 ++* + + + ++ peak 1475 QD2 LEU 51 - HA ARG 66 Upper HB3 LEU 51 - QD1 LEU 51 2.84 9 0.15 0.35 ++ ++ +* ++ + peak 1485 QD1 LEU 12 - HB2 LEU 109 QD1 LEU 51 - HB2 LEU 109 Upper HB3 LEU 51 - H ALA 73 3.37 7 0.03 0.11 + ++ + *+ + peak 7358 HB3 LEU 51 - H GLU 110 HG3 LYS 58 - H GLU 110 H ALA 73 - HB ILE 77 HB ILE 77 - H GLU 110 H ALA 73 - HB2 LEU 109 HB2 LEU 109 - H GLU 110 Upper HB3 LEU 51 - QD2 LEU 109 2.90 19 0.25 0.29 +++++*+ ++++++++++++ peak 3029 HB2 LEU 109 - QD2 LEU 109 Upper HG LEU 51 - QD2 LEU 70 3.83 8 0.05 0.18 + + + + * + ++ peak 9390 QD PHE 40 - HE22 GLN 50 HZ PHE 40 - HE22 GLN 50 HE22 GLN 50 - HD2 HIS 59 HE22 GLN 50 - H LYS 98 Upper QD1 LEU 51 - HG LEU 70 3.13 19 0.47 0.81 +++++ +++*++++++++++ peak 11286 QG2 ILE 67 - HG LEU 70 QG1 VAL 69 - HG LEU 70 HG LEU 70 - QG1 VAL 103 HG LEU 70 - QG2 VAL 103 Upper QD1 LEU 51 - QD2 LEU 70 3.57 6 0.02 0.11 ++ + * ++ peak 11287 QG2 ILE 67 - QD2 LEU 70 QG1 VAL 69 - QD2 LEU 70 Upper QD2 LEU 51 - H LYS 52 3.10 20 0.28 0.38 *+++++++++++++++++++ peak 6645 H LYS 52 - HB2 LYS 52 H LYS 52 - HG3 LYS 98 Upper QD2 LEU 51 - HA ALA 73 4.85 8 0.03 0.15 ++* +++ ++ peak 11239 QD2 LEU 51 - HB2 PHE 79 QD2 LEU 51 - HA LYS 84 QD2 LEU 51 - HA LYS 98 HG LEU 15 - HD1 TRP 60 QD1 LEU 17 - HD1 TRP 60 QD2 LEU 17 - HD1 TRP 60 QD2 LEU 36 - HD1 TRP 60 HG2 LYS 52 - HD1 TRP 60 HD1 TRP 60 - QD1 ILE 67 HD1 TRP 60 - HB2 LYS 84 HD1 TRP 60 - QG2 VAL 102 Upper H LYS 52 - H LYS 88 2.60 17 0.04 0.15 +++ +++*+ +++ ++++++ peak 7549 H ASN 87 - H LYS 88 Upper HA LYS 52 - HD2 LYS 52 4.72 19 0.39 0.77 +++*+++++++++ ++++++ peak 1551 Upper HA LYS 52 - QG2 ILE 67 3.42 9 0.05 0.28 +++ ++ + +*+ peak 8318 QG2 ILE 67 - HB3 ASN 71 QG2 ILE 67 - HB3 ASN 87 QG2 ILE 67 - HB3 PHE 99 HE21 GLN 49 - HD2 LYS 52 HE21 GLN 49 - HG12 ILE 67 Upper HB3 LYS 52 - HB ILE 67 3.70 18 0.16 0.32 +*+++++ ++++++++++ + peak 10094 HD3 LYS 58 - HB ILE 67 QB ALA 64 - HB ILE 67 QB ALA 93 - HB3 GLN 96 Upper HB3 LYS 52 - QD1 ILE 67 3.19 11 0.04 0.15 +*+ +++ ++ ++ + peak 9262 HD3 LYS 58 - QD1 ILE 67 QB ALA 64 - QD1 ILE 67 HA ASN 20 - HE3 TRP 42 HE3 TRP 42 - HA ASP 46 HA ASP 46 - H LEU 70 Upper HG2 LYS 52 - H ASN 68 3.92 12 0.04 0.12 ++*+++ ++ ++++ peak 6899 QD1 ILE 67 - H ASN 68 H ASN 68 - QG2 VAL 69 Upper HG2 LYS 52 - HA ASN 68 4.43 20 0.41 0.53 ++++++++++*+++++++++ peak 9764 QD1 ILE 67 - HA ASN 68 HA ASN 68 - QG2 VAL 69 Upper HG3 LYS 52 - H ASP 53 4.74 10 0.08 0.24 + + + +* + + +++ peak 6665 Upper HG3 LYS 52 - H ARG 66 4.54 15 0.09 0.28 +++++++ + ++++* + + peak 9704 H ARG 66 - QG2 ILE 67 H ARG 66 - QG1 VAL 69 H ARG 66 - HD2 LYS 98 Upper HG3 LYS 52 - QD1 ILE 67 2.40 6 0.01 0.07 ++ ++ + * peak 2135 QG2 ILE 67 - QD1 ILE 67 QD1 ILE 67 - QG1 VAL 69 QD1 ILE 67 - QG2 VAL 103 Upper HG3 LYS 52 - QD2 LEU 70 3.56 8 0.05 0.19 + ++ + + *+ + peak 8125 QD2 LEU 15 - QB ALA 22 QB ALA 22 - QD1 LEU 55 Upper HG3 LYS 52 - QD2 LEU 70 4.10 7 0.04 0.16 + ++ + *+ + peak 3157 HB2 HIS 7 - H ALA 47 HB3 HIS 7 - H ALA 47 Upper HG3 LYS 52 - QB ALA 73 4.28 11 0.04 0.14 + +++ + +++ + +* peak 9906 QB ALA 73 - QG2 THR 74 QB ALA 73 - QG1 VAL 76 Upper HD2 LYS 52 - HA ILE 67 3.43 19 0.20 0.29 ++++*+++ +++++++++++ peak 2092 HA ILE 67 - HG12 ILE 67 Upper HD3 LYS 52 - QD1 LEU 55 3.86 7 0.04 0.25 + * ++ + ++ peak 10901 HD3 LYS 52 - QD1 LEU 70 HB3 PHE 41 - H ARG 44 H ARG 44 - HE3 LYS 58 H ARG 44 - HB2 ASN 68 H ARG 44 - HB3 ASN 68 Upper HD3 LYS 52 - QD PHE 99 4.36 8 0.04 0.19 + ++ + + + + * peak 10162 HB2 LYS 98 - QD PHE 99 HD3 LYS 98 - QD PHE 99 Upper H ASP 53 - QD1 ILE 77 3.53 16 0.06 0.14 +++++ ++ +++++ + *++ peak 2462 H ALA 73 - QD1 ILE 77 H ILE 77 - QD1 ILE 77 QD1 ILE 77 - H GLN 89 QD1 ILE 77 - H VAL 103 QD1 ILE 77 - H GLU 110 Upper HA ASP 53 - H GLU 54 3.41 20 0.07 0.11 ++++++++*+++++++++++ peak 6681 HA ASP 53 - H LYS 84 H GLU 54 - HA LYS 58 H GLU 54 - HA GLU 110 Upper H GLU 54 - HB2 GLU 54 3.01 18 0.41 0.56 +++ * ++++++++++++++ peak 6685 H GLU 54 - HB ILE 90 H GLU 54 - HG13 ILE 90 H GLU 54 - HB2 GLU 94 H GLU 54 - HB3 GLU 101 Upper H GLU 54 - HG2 GLU 54 3.66 18 0.06 0.16 ++++*++++++++++ +++ peak 6687 HG2 GLU 54 - H LYS 84 H GLU 54 - HG2 GLU 75 H GLU 54 - HB2 PRO 100 H GLU 54 - HB2 GLU 101 Upper H GLU 54 - HG2 GLU 54 3.69 11 0.03 0.13 + +*+ ++ + +++ + peak 1639 H GLU 54 - HG2 GLU 75 HG2 GLU 54 - H LYS 84 HG2 GLU 54 - H GLU 94 HG2 GLU 75 - H GLU 94 HG2 GLU 54 - HE22 GLN 96 HG2 GLU 75 - HE22 GLN 96 Upper HA GLU 54 - HG2 GLU 54 3.39 18 0.17 0.29 +++ *+++++++ +++++++ peak 1618 HA GLU 54 - HG2 GLU 75 HA GLU 54 - HB2 PRO 100 HA GLU 54 - HB2 GLU 101 Upper HA GLU 54 - HG3 GLN 96 2.96 16 0.07 0.22 + *+++++ ++++++ +++ peak 6635 HA ALA 64 - HG3 GLN 96 HA ALA 93 - HG3 GLN 96 H THR 8 - H LYS 52 H GLN 50 - H LYS 52 H LYS 52 - H LYS 88 Upper HB2 GLU 54 - HG3 GLU 54 2.91 14 0.04 0.10 +++ * + ++++ ++ +++ peak 1648 Upper HB2 GLU 54 - HA ALA 57 3.81 20 0.31 0.89 ++++++++++++*+++++++ peak 9673 HA ALA 57 - HB3 GLU 63 HA ALA 62 - HB3 GLU 63 HA GLN 72 - HG13 ILE 90 HA GLN 72 - HB3 GLU 101 Upper HB2 GLU 54 - H GLN 72 3.53 6 0.02 0.23 + + *+ + + peak 2856 H GLN 72 - HG13 ILE 90 H GLN 72 - HB3 GLU 101 HB2 GLU 54 - H VAL 102 HB3 GLU 63 - H VAL 102 HB3 GLU 101 - H VAL 102 Upper HB2 GLU 54 - H GLU 94 3.28 12 0.11 0.30 + ++*++++ + ++ + peak 7181 HB ILE 90 - H GLU 94 HG13 ILE 90 - H GLU 94 H GLU 94 - HB2 GLU 94 Upper HG2 GLU 54 - HA GLU 75 3.09 12 0.06 0.14 + + + ++++++*++ peak 2354 HA GLU 75 - HG2 GLU 75 Upper HG3 GLU 54 - HE2 LYS 88 3.33 13 0.04 0.12 + +++ ++++ ++* ++ peak 10083 HG3 GLU 54 - HE3 LYS 88 HB2 GLN 86 - HE2 LYS 88 HB2 GLN 86 - HE3 LYS 88 HG2 GLN 86 - HE2 LYS 88 HG2 GLN 86 - HE3 LYS 88 HE3 LYS 88 - HG2 GLN 89 Upper HG3 GLU 54 - QB ALA 93 3.85 12 0.03 0.06 + +++ + *+ ++ ++ + peak 10093 HB2 GLU 75 - QB ALA 93 HB3 GLU 75 - QB ALA 93 HB2 GLN 86 - QB ALA 93 QB ALA 93 - HG3 GLU 94 QB ALA 93 - HG2 GLN 96 Upper HG3 GLU 54 - HA GLU 101 2.66 20 0.08 0.22 ++++++++++++*+++++++ peak 2841 HB3 GLN 72 - HA GLU 101 HG2 GLN 72 - HA GLU 101 HA GLU 101 - HG2 GLU 101 HA GLU 101 - HG3 GLU 101 Upper H LEU 55 - HB2 LEU 55 3.42 9 0.02 0.11 ++++ *+ + + + peak 6703 H LEU 55 - HD2 LYS 58 H LEU 55 - HB2 ARG 66 H LEU 55 - HB2 LEU 70 Upper H LEU 55 - H ALA 57 2.73 20 0.85 0.97 ++++++++++++++++++*+ peak 11210 H ALA 57 - H ASN 78 H LEU 55 - H LYS 58 H LEU 55 - H ILE 61 QG2 ILE 11 - QG2 VAL 29 QG2 VAL 29 - QD1 LEU 51 QG2 VAL 29 - QG2 VAL 102 QG2 VAL 29 - QD1 LEU 109 Upper H LEU 55 - HG3 GLU 75 5.11 6 0.01 0.06 * + + + ++ peak 10500 H THR 74 - HG3 GLU 75 HG3 GLU 75 - H ASN 78 HG3 GLU 75 - H ASP 82 Upper HB2 LEU 55 - H GLU 56 3.71 7 0.03 0.15 + * + + + ++ peak 6717 H GLU 56 - HB2 ARG 66 H GLU 56 - HG13 ILE 67 Upper HB2 LEU 55 - HA ILE 67 3.25 7 0.02 0.10 *+ ++ + + + peak 2097 HA ILE 67 - HG13 ILE 67 HA ILE 67 - HB2 LEU 70 Upper HB2 LEU 55 - H LEU 70 3.36 20 0.20 0.23 ++++++++++++++++++*+ peak 6947 HG13 ILE 67 - H LEU 70 H LEU 70 - HB2 LEU 70 Upper HB3 LEU 55 - HE2 LYS 58 2.75 9 0.06 0.29 ++ * ++ + ++ + peak 11210 HB3 LEU 55 - HD3 ARG 66 QG2 ILE 11 - QG2 VAL 29 QG2 VAL 29 - QD1 LEU 51 QG2 VAL 29 - QG2 VAL 102 QG2 VAL 29 - QD1 LEU 109 Upper QD1 LEU 55 - H GLU 56 4.14 16 0.10 0.27 ++ +++++++++ ++ +*+ peak 6720 H GLU 56 - QD1 LEU 70 Upper QD1 LEU 55 - HD2 LYS 58 3.58 12 0.14 0.34 + ++ ++ ++ +++ + * peak 9814 QD1 LEU 55 - HG13 ILE 67 HD2 LYS 31 - QD1 LEU 70 HD3 LYS 31 - QD1 LEU 70 HG13 ILE 67 - QD1 LEU 70 HB3 LEU 12 - QG1 VAL 69 QG1 VAL 69 - HB VAL 103 Upper QD1 LEU 55 - HD2 ARG 66 3.02 12 0.09 0.28 +++++++ + * ++ + peak 10930 HD2 ARG 66 - QD1 LEU 70 HB VAL 14 - QG1 VAL 76 QD1 LEU 36 - QG1 VAL 76 HD3 LYS 52 - QG1 VAL 76 QG1 VAL 76 - HB2 LYS 98 Upper QD1 LEU 55 - HA LEU 70 3.71 14 0.08 0.17 +++ ++ ++++ ++ +*+ peak 2200 HA LEU 70 - QD1 LEU 70 Upper QD1 LEU 55 - H ASN 71 4.27 20 0.23 0.30 +++++++++++++++++*++ peak 6965 QD1 LEU 70 - H ASN 71 Upper QD2 LEU 55 - HE2 LYS 58 3.84 11 0.11 0.41 + ++++ +* +++ + peak 1828 HB2 LYS 58 - HE2 LYS 58 HE2 LYS 58 - QG2 ILE 61 Upper QD2 LEU 55 - H ILE 61 3.17 10 0.08 0.44 +++* + ++ ++ + peak 6801 HB2 LYS 58 - H ILE 61 H ILE 61 - QG2 ILE 61 Upper QD2 LEU 55 - HG2 ARG 66 3.42 14 0.12 0.33 ++++++ + ++ +++* + peak 9095 HB2 LYS 58 - HG2 ARG 66 QG2 ILE 61 - HG2 ARG 66 QD1 ILE 11 - HA LYS 31 QG1 VAL 29 - HA LYS 31 HA LYS 31 - QD2 LEU 36 HA LYS 31 - HG2 LYS 52 HA LYS 31 - QG2 VAL 69 Upper QD2 LEU 55 - HG3 ARG 66 2.87 14 0.19 0.50 ++++++ + + + +++*+ peak 8500 HB2 LYS 58 - HG3 ARG 66 QG2 ILE 61 - HG3 ARG 66 QG2 VAL 21 - QG2 THR 74 QG2 VAL 21 - QG1 VAL 76 QD1 ILE 28 - QG2 THR 74 QD1 ILE 28 - QG1 VAL 76 Upper QD2 LEU 55 - HG3 ARG 66 3.60 14 0.12 0.27 +++++* + + + +++++ peak 9176 HB2 LYS 58 - HG3 ARG 66 QG2 ILE 61 - HG3 ARG 66 H ALA 22 - QG2 THR 37 QG2 THR 37 - H LEU 55 QG2 THR 37 - H THR 74 QG2 THR 37 - H ASN 78 Upper H GLU 56 - HB3 GLU 56 3.05 19 0.48 0.54 +++++++++++++*+++ ++ peak 6724 H GLU 56 - HB ILE 67 H GLU 56 - HB3 GLU 110 Upper H GLU 56 - HB3 GLU 56 3.53 12 0.03 0.05 ++ + +++++ * ++ + peak 1719 HB3 GLU 56 - H ILE 67 Upper H GLU 56 - QG2 ILE 67 3.37 20 0.39 0.40 +++*++++++++++++++++ peak 2108 H ILE 67 - QG2 ILE 67 Upper HA GLU 56 - HG12 ILE 67 3.32 19 0.31 0.40 ++++++++ ++++++++*++ peak 2117 HA ILE 67 - HG12 ILE 67 Upper HA GLU 56 - HG13 ILE 67 3.33 8 0.06 0.22 *+ ++ +++ + peak 2125 HA ILE 67 - HG13 ILE 67 Upper HB3 GLU 56 - HG2 GLU 56 2.89 17 0.06 0.11 + +++++++ +++++ ++*+ peak 1729 Upper HB3 GLU 56 - H ALA 57 3.72 18 0.18 0.26 +++++ +++++++++*+ ++ peak 6736 H ALA 57 - HB ILE 67 H ALA 57 - HB VAL 76 H ALA 57 - HB3 GLU 110 Upper HB3 GLU 56 - QD1 ILE 67 2.89 19 0.29 0.33 ++++++++ ++++++*++++ peak 2134 HB ILE 67 - QD1 ILE 67 Upper H ALA 57 - HG2 LYS 58 4.42 15 0.24 0.51 +++++ ++++++ + *++ peak 9539 H ALA 57 - HB ILE 61 H ALA 57 - HG2 ARG 66 H ALA 57 - HG12 ILE 67 Upper H ALA 57 - HE1 TRP 60 4.67 18 0.16 0.34 + +++*++++++ +++++++ peak 9581 H LYS 58 - HE1 TRP 60 HE1 TRP 60 - H ILE 61 Upper H ALA 57 - QG2 ILE 61 3.69 13 0.04 0.09 ++++++++* +++ + peak 1915 H ILE 61 - QG2 ILE 61 Upper HA ALA 57 - H LYS 58 3.39 20 0.13 0.16 ++++*+++++++++++++++ peak 6744 H LYS 58 - HA ALA 62 Upper HA ALA 57 - HA ILE 61 4.33 6 0.02 0.14 + ++ ++ * peak 9633 HA HIS 59 - HA ILE 61 HA ILE 61 - HA ALA 62 HA ILE 61 - HA GLN 72 Upper HA ALA 57 - HB2 GLU 63 4.47 9 0.03 0.20 ++ + + *++ + + peak 9672 HA ALA 62 - HB2 GLU 63 HA ALA 62 - HG12 ILE 90 HB2 GLU 63 - HA GLN 72 HA GLN 72 - HG12 ILE 90 Upper HA ALA 57 - HB2 GLU 63 4.24 20 0.26 0.43 ++++++++++++*+++++++ peak 8573 HA ALA 62 - HB2 GLU 63 HA ALA 62 - HG12 ILE 90 Upper HA ALA 57 - HG2 GLN 72 3.34 19 0.70 0.76 ++++++++*+ +++++++++ peak 2304 HA ALA 62 - HG2 GLN 72 HA GLN 72 - HG2 GLN 72 Upper HA ALA 57 - HG3 GLN 72 3.42 19 0.11 0.14 +++++*++++ +++++++++ peak 2313 HA HIS 59 - HG3 GLN 72 HA ALA 62 - HG3 GLN 72 HA GLN 72 - HG3 GLN 72 Upper QB ALA 57 - HG2 LYS 58 3.28 9 0.09 0.45 +++ + +++ + * peak 9543 QB ALA 57 - HB ILE 61 QB ALA 57 - HG2 ARG 66 QB ALA 57 - HG12 ILE 67 Upper H LYS 58 - HB2 LYS 58 3.34 17 0.14 0.20 ++++++++++++ ++ *++ peak 6747 H LYS 58 - QG2 ILE 61 Upper H LYS 58 - HE2 LYS 58 5.01 10 0.06 0.21 +++ ++ ++ * ++ peak 6753 H LYS 58 - HE2 LYS 88 H LYS 58 - HE3 LYS 88 Upper H LYS 58 - HG12 ILE 61 3.85 6 0.03 0.37 +++ * ++ peak 10958 H LYS 58 - HG13 ILE 61 H ASN 20 - HE22 GLN 96 HE22 GLN 86 - HE22 GLN 96 HE22 GLN 96 - QD PHE 99 HE22 GLN 96 - QE PHE 104 Upper HA LYS 58 - HD3 LYS 58 4.23 13 0.12 0.33 ++++ *+++++++ + peak 1816 Upper HA LYS 58 - HG12 ILE 61 3.22 16 0.09 0.32 ++++++ + ++ *++ ++++ peak 10303 HA LYS 58 - HG13 ILE 61 QG2 VAL 14 - QD2 LEU 17 QG2 VAL 14 - QG2 VAL 102 QD2 LEU 17 - QD2 LEU 51 QD2 LEU 51 - QG2 VAL 102 QD2 LEU 17 - HB2 LYS 52 QD2 LEU 17 - HG3 LYS 98 HG3 LYS 98 - QG2 VAL 102 Upper HA LYS 58 - QD1 ILE 61 3.64 20 0.17 0.29 +++++++*++++++++++++ peak 7022 HD3 PRO 43 - H ALA 73 HA VAL 69 - H ALA 73 H ALA 73 - HA GLN 81 H ALA 73 - HA GLU 94 Upper HB3 LYS 58 - HA ILE 61 3.52 20 0.15 0.24 +++++++++++++*++++++ peak 8368 HA ILE 61 - QB ALA 62 HA ILE 61 - HB2 ARG 66 Upper HG2 LYS 58 - HE2 LYS 58 3.46 9 0.06 0.25 + +++ + *+ + + peak 1830 HE2 LYS 58 - HB ILE 61 HE2 LYS 58 - HG2 ARG 66 Upper HG2 LYS 58 - HE3 LYS 58 3.64 13 0.09 0.30 ++++++ ++ +++ +* peak 1841 HE3 LYS 58 - HB ILE 61 Upper HD2 LYS 58 - HG12 ILE 61 3.26 7 0.06 0.30 *++ + + ++ peak 2149 HD2 LYS 58 - HG13 ILE 61 HA ASN 68 - HB3 ASN 71 HA ASN 68 - HB3 PHE 99 Upper HD3 LYS 58 - HE1 TRP 60 3.97 9 0.06 0.26 ++ + + ++ +*+ peak 9452 QE PHE 40 - H GLU 54 HZ PHE 40 - H GLU 54 H GLU 54 - HE22 GLN 72 Upper HD3 LYS 58 - H GLU 63 4.37 20 0.22 0.31 ++++++++++*+++++++++ peak 9659 H GLU 63 - QB ALA 64 H GLU 63 - HG LEU 83 H GLU 63 - HG3 LYS 84 H GLU 63 - HB2 LYS 88 Upper HD3 LYS 58 - HB2 GLU 63 4.76 20 0.32 0.47 ++++++++++++*+++++++ peak 9677 HB2 GLU 63 - QB ALA 64 HB2 GLU 63 - HG LEU 83 Upper HD3 LYS 58 - H ASP 65 2.82 13 0.05 0.12 ++ +*+ + ++ +++++ peak 6844 H TRP 60 - QB ALA 64 QB ALA 64 - H ASP 65 Upper HE2 LYS 58 - HE1 TRP 60 4.28 7 0.05 0.30 + + + +*+ + peak 10491 H LYS 13 - HB3 GLN 72 H ALA 64 - HB3 GLN 72 HB3 GLN 72 - H GLU 101 HB2 GLU 75 - H GLU 101 HB3 GLU 75 - H GLU 101 Upper HE2 LYS 58 - HB ILE 67 4.08 8 0.02 0.15 + + ++ +*++ peak 10089 HB3 GLN 86 - HE2 LYS 88 HB3 GLN 86 - HE3 LYS 88 HE2 LYS 88 - HB2 GLN 89 HE3 LYS 88 - HB2 GLN 89 Upper HE3 LYS 58 - QG2 ILE 67 4.14 20 0.40 0.63 ++++++++++++++++++*+ peak 8434 QG2 ILE 67 - HB2 ASN 68 QG2 ILE 67 - HB3 ASN 68 Upper H TRP 60 - HE3 TRP 60 3.48 20 1.19 1.38 ++++++*+++++++++++++ peak 6784 HE3 TRP 60 - H ASP 65 H TRP 60 - HE3 TRP 80 H TRP 60 - QD PHE 99 H TRP 60 - QE PHE 104 Upper HA TRP 60 - HD1 TRP 60 4.08 20 0.27 0.36 +++++++++++++++*++++ peak 1873 HA TRP 60 - HZ3 TRP 60 HA TRP 60 - HZ3 TRP 80 Upper HA TRP 60 - HE3 TRP 60 3.85 20 0.42 0.61 ++++++++++++++*+++++ peak 1874 HA TRP 60 - HE3 TRP 80 HA TRP 60 - QE PHE 104 Upper HB2 TRP 60 - HE3 TRP 60 3.96 20 0.18 0.21 +++++++++++++++++++* peak 1884 HB2 TRP 60 - QE PHE 104 Upper HD1 TRP 60 - H ILE 61 4.16 18 0.28 0.54 + +*++++++++ +++++++ peak 6794 HZ3 TRP 60 - H ILE 61 H ILE 61 - HZ3 TRP 80 H ILE 61 - QD PHE 104 Upper H ILE 61 - H ALA 62 4.10 20 0.47 0.52 +*++++++++++++++++++ peak 6805 Upper HA ILE 61 - QB ALA 62 3.38 20 0.45 0.50 +*++++++++++++++++++ peak 8389 Upper HB ILE 61 - QD1 ILE 61 3.17 10 0.02 0.05 +++*++ ++ + + peak 1913 Upper HG12 ILE 61 - H ALA 62 3.78 12 0.29 0.61 +++++*+++ ++ + peak 6812 HG13 ILE 61 - H ALA 62 Upper QB ALA 62 - HB2 GLU 63 4.26 7 0.02 0.14 ++*+ ++ + peak 9676 HB2 GLU 63 - HB2 ARG 66 HB2 GLU 63 - HG13 ILE 67 Upper QB ALA 62 - HB3 GLU 63 4.25 19 0.10 0.18 ++++++++*+++ +++++++ peak 9657 QB ALA 62 - HB3 GLN 89 QB ALA 62 - HG13 ILE 90 Upper QB ALA 62 - HA ALA 64 3.47 6 0.04 0.23 + ++ + * + peak 11017 HA ALA 64 - HB2 ARG 66 HA ALA 64 - HG13 ILE 67 H VAL 21 - QE MET 92 QE MET 92 - H PHE 104 QE MET 92 - H GLY 106 Upper H GLU 63 - HG2 GLU 63 3.62 20 0.33 0.37 ++++++++*+++++++++++ peak 1986 H GLU 63 - HG3 GLU 63 Upper H GLU 63 - H ALA 64 2.83 20 0.29 0.41 +++++++++++++*++++++ peak 6829 Upper HA GLU 63 - HA ALA 64 4.51 20 0.29 0.34 ++++++++++++*+++++++ peak 9669 HA GLU 63 - HA LEU 70 Upper HG2 GLU 63 - QB ALA 64 3.91 20 0.23 0.29 ++++++++*+++++++++++ peak 8400 HG3 GLU 63 - QB ALA 64 Upper HG2 GLU 63 - QG2 ILE 67 3.75 11 0.10 0.37 + ++*+ +++++ + peak 8739 HG3 GLU 63 - QG2 ILE 67 QG2 ILE 11 - H LYS 13 QG2 ILE 11 - H LEU 15 QG2 ILE 11 - H ALA 64 QG2 ILE 11 - H GLU 101 QG2 ILE 11 - H SER 105 Upper HA ALA 64 - QG2 ILE 67 3.42 7 0.03 0.21 + + ++ * + + peak 9435 QG2 ILE 67 - HA ALA 93 HA ALA 64 - QG1 VAL 69 HZ3 TRP 48 - HD3 LYS 52 HD3 LYS 52 - H ILE 61 HD3 LYS 52 - HE21 GLN 72 HD3 LYS 52 - HZ PHE 99 HD3 LYS 52 - HD22 ASN 108 Upper HA ALA 64 - QG2 ILE 67 3.54 7 0.05 0.20 + + * + + + + peak 9078 QG2 ILE 67 - HA LEU 70 QG2 ILE 67 - HA ALA 93 QG2 ILE 67 - HA2 GLY 106 HE21 GLN 27 - QG1 VAL 29 QG1 VAL 29 - QD PHE 104 Upper HG2 ARG 66 - HB2 GLN 96 3.71 6 0.04 0.28 + *+ + ++ peak 8190 HG3 LYS 88 - HB2 GLN 96 QB ALA 93 - HB2 GLN 96 QG1 VAL 29 - HB2 SER 34 QG1 VAL 29 - HD3 PRO 35 Upper H ILE 67 - QG2 ILE 67 3.34 20 0.31 0.33 +++++++++++++++*++++ peak 6882 H ILE 67 - QG1 VAL 69 H ILE 67 - QG2 VAL 103 Upper QG2 ILE 67 - HG13 ILE 67 3.07 20 0.08 0.12 +++++*++++++++++++++ peak 2127 Upper QG2 ILE 67 - HG13 ILE 67 3.04 17 0.04 0.10 +++++++ + ++++ +*+++ peak 2113 QG2 ILE 67 - HB2 LEU 70 Upper QG2 ILE 67 - H ASN 68 3.18 16 0.12 0.23 ++++++*+ + +++++ + + peak 6896 H ASN 68 - QG1 VAL 69 H ASN 68 - QG2 VAL 103 Upper QG2 ILE 67 - HA ASN 68 3.42 8 0.03 0.11 + * +++++ + peak 9763 HA ASP 65 - QG1 VAL 69 HA ASN 68 - QG1 VAL 69 HA ASN 68 - QG2 VAL 103 Upper QG2 ILE 67 - H LEU 70 3.27 18 0.16 0.29 ++++++*+++ +++++++ + peak 6945 QG1 VAL 69 - H LEU 70 Upper QG2 ILE 67 - HA LEU 70 4.40 20 0.46 0.61 ++++++*+++++++++++++ peak 9822 QG1 VAL 69 - HA LEU 70 Upper QD1 ILE 67 - HB2 ASN 68 4.13 20 0.22 0.45 ++++++++++*+++++++++ peak 8444 QD1 ILE 67 - HB3 ASN 68 HB2 ASN 68 - QG2 VAL 69 HB3 ASN 68 - QG2 VAL 69 Upper HA ASN 68 - HD21 ASN 68 4.17 18 0.58 0.71 +*++++++ +++++++ +++ peak 6909 Upper HB2 ASN 68 - HD21 ASN 68 3.05 20 0.27 0.46 ++++++++++++++++*+++ peak 6911 HB3 ASN 68 - HD21 ASN 68 Upper HB2 ASN 68 - QG2 VAL 69 4.50 11 0.06 0.36 +++ + + +*+ + + + peak 9805 HB3 ASN 68 - QG2 VAL 69 Upper HA VAL 69 - QG2 VAL 69 3.01 20 0.16 0.18 ++++++*+++++++++++++ peak 2183 QG2 VAL 69 - HA GLU 94 Upper HA VAL 69 - HA GLN 72 4.58 19 0.05 0.07 +++++++*+++ ++++++++ peak 9871 HA GLN 72 - HA ALA 73 HA GLN 72 - HA GLN 81 HA GLN 72 - HA GLU 94 Upper HA VAL 69 - HB3 GLN 72 3.88 12 0.06 0.17 + +++ ++ * +++ ++ peak 8786 HB3 GLN 72 - HA GLN 81 HB3 GLN 72 - HA GLU 94 QD2 LEU 12 - H VAL 76 QD2 LEU 12 - H GLN 96 QD2 LEU 12 - HE21 GLN 96 Upper HA VAL 69 - QB ALA 93 3.72 8 0.02 0.11 + + + ++*++ peak 10095 QB ALA 93 - HA GLU 94 Upper HA VAL 69 - HG2 GLU 94 3.10 19 0.13 0.24 +++++++++ +++++++*++ peak 2610 HA GLU 94 - HG2 GLU 94 Upper HB VAL 69 - H GLN 72 3.27 19 0.25 0.30 ++++++++++*+++ +++++ peak 6997 H GLN 72 - HB2 GLN 72 H GLN 72 - HB3 PRO 100 Upper HB VAL 69 - H ALA 73 3.58 8 0.04 0.32 + + +++ * + + peak 7028 HB2 GLN 72 - H ALA 73 H ALA 73 - HB ILE 90 H ALA 73 - HB2 GLU 94 Upper QG1 VAL 69 - QD2 LEU 70 5.15 7 0.03 0.19 ++ + + + * + peak 9820 Upper H LEU 70 - QD2 LEU 70 3.50 13 0.11 0.30 ++++++++ ++* ++ peak 6950 Upper QD2 LEU 70 - H ASN 71 4.72 15 0.09 0.16 + +++ +++++ *++ +++ peak 6964 Upper H ASN 71 - HB3 ASN 71 3.12 15 0.07 0.20 ++ +++++++ * + + +++ peak 6968 H ASN 71 - HB3 ASN 87 H ASN 71 - HB3 PHE 99 Upper HA ASN 71 - HG3 GLN 72 4.60 12 0.14 0.27 * + + +++++++++ peak 9853 HA ASN 71 - HG3 GLU 75 HA ASN 71 - HB3 GLN 81 Upper HB3 ASN 71 - HD21 ASN 71 3.66 19 0.18 0.32 ++++++++++ ++++*++++ peak 6977 Upper HB3 ASN 71 - H ASN 87 3.43 20 0.62 0.63 ++*+++++++++++++++++ peak 3384 H ASN 87 - HB3 ASN 87 Upper HB3 ASN 71 - HD22 ASN 87 3.22 6 0.02 0.07 * + + ++ + peak 7546 HB3 ASN 87 - HD22 ASN 87 Upper H GLN 72 - HG2 GLU 101 3.68 20 0.13 0.20 ++++++*+++++++++++++ peak 2870 H GLN 72 - HG3 GLU 101 HG2 GLU 101 - H VAL 102 HG3 GLU 101 - H VAL 102 Upper HA GLN 72 - HG3 GLN 72 3.25 12 0.10 0.19 + + * +++++++++ peak 10923 HA GLN 72 - HG3 GLU 75 HA GLN 72 - HB3 GLN 81 Upper HA GLN 72 - HE21 GLN 72 4.76 20 0.54 1.10 ++++++++++*+++++++++ peak 2277 Upper HB3 GLN 72 - H ALA 73 3.86 18 0.08 0.15 ++++++++++ +++ +*+++ peak 2302 H ALA 73 - HB2 GLU 75 H ALA 73 - HB3 GLU 75 HB3 GLN 72 - H VAL 103 Upper HB3 GLN 72 - HB VAL 76 3.91 20 0.52 0.86 ++++++++++++++*+++++ peak 9963 HB2 GLU 75 - HB VAL 76 HB3 GLU 75 - HB VAL 76 HB VAL 76 - HB2 GLN 86 HB VAL 76 - HG2 GLN 89 HB VAL 76 - HG3 GLN 89 HB VAL 76 - HG2 GLN 96 Upper HG3 GLN 72 - HE21 GLN 72 3.60 20 0.10 0.12 +++++++++*++++++++++ peak 7011 Upper HA ALA 73 - HD3 LYS 98 3.33 9 0.04 0.17 + ++ + ++ + + * peak 2747 HB2 PHE 79 - HD3 LYS 98 HA LYS 84 - HD3 LYS 98 HG3 ARG 66 - HA LYS 98 HA LYS 98 - HD3 LYS 98 HD3 LYS 98 - HB2 SER 105 HD3 LYS 98 - HB3 SER 105 Upper HA THR 74 - QG2 ILE 77 4.06 17 0.05 0.12 +++ ++ +++++++ ++*++ peak 9907 HA VAL 76 - QG2 ILE 77 Upper HA GLU 75 - HG3 GLU 75 3.50 6 0.01 0.10 + +++*+ peak 2355 Upper HG3 GLU 75 - H VAL 76 4.70 12 0.04 0.09 + + + +++++++*+ peak 2389 Upper H ILE 77 - HA LYS 88 3.37 8 0.06 0.19 + +*+ + ++ + peak 3401 HA LYS 88 - H GLN 89 HA LYS 88 - H GLU 110 Upper HA ILE 77 - QD1 ILE 77 3.76 18 0.04 0.10 +++++++++ ++++++*++ peak 2424 Upper QD1 ILE 77 - HE2 LYS 88 3.12 6 0.03 0.18 + ++ * ++ peak 9652 QD1 ILE 77 - HE3 LYS 88 QD2 LEU 83 - HE2 LYS 88 QD2 LEU 83 - HE3 LYS 88 HG3 GLN 49 - QB ALA 62 QB ALA 62 - HB2 ASP 65 Upper HB3 ASN 78 - HD22 ASN 78 3.69 16 0.06 0.11 +++ ++ + *+++++ ++++ peak 7131 Upper HB2 PHE 79 - QD2 LEU 83 3.74 15 0.06 0.20 +++*++++++ +++++ peak 10580 HA TRP 80 - QD2 LEU 83 QD2 LEU 83 - HA LYS 84 Upper HE3 TRP 80 - HB3 GLN 81 6.00 7 0.03 0.11 + + +++ + * peak 10933 Upper HG3 GLN 81 - HA GLN 86 3.24 6 0.01 0.05 +++ + *+ peak 3330 HA GLN 86 - HG3 GLN 86 Upper HG3 GLN 81 - HE21 GLN 86 3.25 20 0.25 0.36 +++++++++++++*++++++ peak 7511 HG3 GLN 86 - HE21 GLN 86 Upper HG LEU 83 - HA LYS 88 3.55 8 0.09 0.26 + ++ + +*++ peak 3396 HA LYS 88 - HG3 LYS 88 Upper HG3 LYS 84 - H LYS 88 3.51 19 0.07 0.09 +++ +++++*++++++++++ peak 7556 HD3 LYS 84 - H LYS 88 H LYS 88 - HB2 LYS 88 Upper HG3 LYS 84 - HG3 LYS 88 2.58 7 0.02 0.08 + ++ +++ * peak 3437 HD3 LYS 84 - HG3 LYS 88 HB2 LYS 88 - HG3 LYS 88 Upper HA GLN 86 - HB2 ASN 87 2.79 16 0.03 0.05 +++ +++*+ + ++ +++++ peak 3378 HA ASN 87 - HB2 ASN 87 Upper HB2 GLN 86 - HE21 GLN 86 3.36 20 0.36 0.39 *+++++++++++++++++++ peak 7510 HG2 GLN 86 - HE21 GLN 86 Upper HG2 GLN 86 - H ASN 87 4.51 20 0.53 0.64 ++*+++++++++++++++++ peak 3360 Upper H ASN 87 - HB3 ASN 87 3.59 20 0.46 0.47 ++*+++++++++++++++++ peak 7532 Upper H ASN 87 - HD21 ASN 87 4.94 20 0.20 0.23 +++*++++++++++++++++ peak 7537 Upper HA ASN 87 - HA LYS 88 4.06 20 0.74 0.79 +++++++*++++++++++++ peak 10672 Upper HB3 ASN 87 - HD21 ASN 87 3.44 20 0.48 0.52 +++*++++++++++++++++ peak 7540 Upper HA LYS 88 - HG3 LYS 88 3.63 8 0.05 0.17 + ++ + +*++ peak 3436 HG3 LYS 88 - HA GLN 89 Upper HA LYS 88 - HE2 LYS 88 4.22 17 0.09 0.24 +++*+++ ++++++++ ++ peak 3480 HA LYS 88 - HE3 LYS 88 HE2 LYS 88 - HA GLN 89 HE3 LYS 88 - HA GLN 89 Upper HB2 LYS 88 - HG2 LYS 88 2.91 20 0.08 0.10 ++++++*+++++++++++++ peak 3426 Upper HB2 LYS 88 - HE2 LYS 88 3.13 8 0.02 0.09 +* ++ + + ++ peak 3481 HB2 LYS 88 - HE3 LYS 88 Upper HB3 LYS 88 - HD2 LYS 88 3.19 7 0.03 0.10 + + + +++* peak 3420 HB3 LYS 88 - HD3 LYS 88 Upper HB3 LYS 88 - HE2 LYS 88 3.65 18 0.17 0.43 +++ ++++++++++++ *++ peak 3482 HB3 LYS 88 - HE3 LYS 88 Upper HG2 LYS 88 - HE2 LYS 88 2.82 20 0.19 0.47 ++++++++++++++++*+++ peak 3483 HG2 LYS 88 - HE3 LYS 88 Upper HG3 LYS 88 - HB3 GLU 94 4.32 14 0.05 0.13 +++++*+ ++++ + ++ peak 9474 HB3 GLU 54 - QB ALA 93 HG12 ILE 90 - QB ALA 93 QB ALA 93 - HB3 GLU 94 HB3 GLU 94 - HB3 LYS 98 Upper HG3 LYS 88 - HG3 GLU 94 3.97 7 0.03 0.10 + + + *+ + + peak 10116 QB ALA 93 - HG3 GLU 94 Upper HB ILE 90 - HG2 GLU 94 2.84 10 0.05 0.17 + ++*+ ++ + + + peak 2611 HG13 ILE 90 - HG2 GLU 94 HB2 GLU 94 - HG2 GLU 94 Upper HB ILE 90 - HG3 GLU 94 2.89 6 0.03 0.12 ++ +++ * peak 2618 HB2 GLU 94 - HG3 GLU 94 Upper HG3 GLN 96 - QE PHE 104 2.63 8 0.02 0.09 + +++ +* + + peak 11211 HB VAL 102 - QE PHE 104 QG2 ILE 11 - QG1 VAL 29 QG1 VAL 29 - QD1 LEU 51 QG1 VAL 29 - QG2 VAL 102 QG1 VAL 29 - QD1 LEU 109 Upper HG2 LYS 98 - QG1 VAL 103 3.84 11 0.09 0.24 + +++ + + ++ + * + peak 10226 HG2 LYS 98 - QG2 VAL 103 QG1 VAL 102 - QG1 VAL 103 QG1 VAL 102 - QG2 VAL 103 Upper HB3 PHE 99 - HD3 PRO 100 4.34 19 0.57 0.66 ++++++++++++ ++++*++ peak 10707 Upper QD PHE 99 - HD3 PRO 100 4.75 13 0.06 0.19 +*+++ + + +++++ + peak 10733 Upper HB3 PRO 100 - H GLU 101 3.96 18 0.22 0.29 +++++ ++++*+ +++++++ peak 2819 Upper HD3 PRO 100 - H GLU 101 3.58 19 0.25 0.28 ++++++++++*+ +++++++ peak 7262 Upper HA GLU 101 - HG2 GLU 101 2.72 14 0.04 0.16 + +++ ++ + *+ +++++ peak 2865 HA GLU 101 - HG3 GLU 101 Upper HB2 GLU 101 - HG2 GLU 101 2.40 9 0.02 0.05 + + ++++ * ++ peak 2866 HB2 GLU 101 - HG3 GLU 101 Upper H GLU 110 - HB2 GLU 110 3.52 11 0.07 0.42 + * ++ +++++ ++ peak 7364 Upper HA GLU 110 - HB3 GLU 110 2.86 18 0.10 0.16 + *+ +++++++++++++++ peak 3046 Upper HB3 GLU 110 - HG2 GLU 110 2.88 10 0.02 0.05 ++ +*++ + ++ + peak 3067 VdW C SER 9 - CD1 PHE 10 3.10 13 0.19 0.35 + +++ + + +++++ +* VdW C SER 9 - CD2 PHE 10 3.10 6 0.09 0.31 + + + + * + VdW N ILE 11 - CG1 ILE 11 2.85 20 0.24 0.24 +++++*++++++++++++++ VdW N ILE 11 - O ASP 26 2.75 10 0.21 0.30 +++ *+ ++ + ++ VdW CG1 VAL 14 - C VAL 14 2.90 14 0.21 0.32 ++*++ +++++ + +++ VdW CG1 VAL 25 - C VAL 25 2.90 16 0.25 0.31 ++++++*+++ ++++++ VdW N GLN 27 - HB2 LEU 36 2.45 6 0.12 0.36 + * + + ++ VdW CG GLN 27 - C GLN 27 2.90 11 0.19 0.24 + + + ++* ++ ++ + VdW O GLN 27 - N SER 34 2.75 19 0.32 0.42 ++++++++ ++++++++*++ VdW CG2 ILE 28 - CD1 ILE 28 3.00 10 0.17 0.33 *++ +++ + ++ + VdW HA SER 34 - CD PRO 35 2.60 12 0.21 0.25 ++++ + +*++++ + VdW HA TRP 42 - C PRO 43 2.50 19 0.24 0.28 *++++++++++++++ ++++ VdW CG TRP 42 - C TRP 42 2.90 17 0.24 0.25 +++++++++++ +++++ * VdW CD1 TRP 42 - C TRP 42 3.10 19 0.30 0.38 +++++++++++++++* +++ VdW O PRO 43 - C ARG 44 2.80 20 0.33 0.43 ++++++++++++++++*+++ VdW HB2 LYS 58 - CG1 ILE 61 2.60 11 0.22 0.45 *+++++ ++ ++ + VdW CG2 ILE 61 - N ALA 62 3.05 6 0.16 0.28 + + ++ *+ VdW O GLU 63 - N ILE 67 2.75 9 0.14 0.26 + ++* ++ + + + VdW O GLU 63 - H ILE 67 1.80 7 0.14 0.27 + +++ + + * VdW O GLU 63 - HG12 ILE 67 2.30 19 0.25 0.38 ++++++++ ++++*++++++ VdW H ARG 66 - CG ARG 66 2.55 6 0.08 0.29 +* ++ + + VdW O ARG 66 - HG22 VAL 69 2.30 7 0.11 0.32 + + * +++ + VdW CA ILE 67 - CD1 ILE 67 3.00 7 0.10 0.24 ++ +* + + + VdW ND2 ASN 68 - N VAL 69 2.90 15 0.21 0.29 +*+++ ++ + +++++ + + VdW CG TRP 80 - C TRP 80 2.90 6 0.12 0.24 + * ++ + + VdW H LEU 109 - CD1 LEU 109 2.55 6 0.07 0.23 + + + *+ + VdW CD2 LEU 109 - C LEU 109 3.10 7 0.12 0.31 *+ + + ++ + Angle PSI SER 9 88.20 179.60 20 11.30 14.84 +++++++*++++++++++++ Angle PSI ILE 11 106.60 165.30 20 9.86 13.71 +++++++++++*++++++++ Angle PSI ALA 24 125.00 172.90 11 5.16 8.72 +++ ++ + *+++ + Angle PSI ILE 28 94.50 144.50 9 4.37 9.98 ++++ +* + ++ Angle PHI VAL 29 -143.40 -77.30 6 3.33 8.48 + +++ + * Angle PHI HIS 59 -83.50 -28.90 11 4.88 10.60 ++++++ +* ++ + Angle PSI HIS 59 -67.30 -2.40 6 4.39 7.57 ++ +*+ + 686 violated distance restraints. 27 violated van der Waals restraints. 7 violated angle restraints. RMSDs for residues 8..80: Average backbone RMSD to mean : 0.46 +/- 0.08 A (0.33..0.62 A; 20 structures) Average heavy atom RMSD to mean : 0.93 +/- 0.10 A (0.75..1.26 A; 20 structures)