Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 16.25 389 0.0154 0.61 9 16.2 0.37 1 0.7666 5.42 2 16.88 419 0.0161 0.70 4 15.8 0.33 0 0.5209 3.45 3 16.88 395 0.0157 0.82 11 17.7 0.31 0 0.7992 4.87 4 17.15 416 0.0161 0.65 7 17.2 0.31 1 0.9709 7.17 5 17.20 387 0.0160 0.85 9 15.6 0.33 1 0.7974 5.74 6 17.26 391 0.0162 0.73 7 17.2 0.32 1 0.5904 5.18 7 17.41 409 0.0159 0.83 9 18.7 0.37 0 0.5992 3.27 8 17.43 403 0.0160 0.71 11 16.9 0.41 1 0.8391 5.01 9 17.44 391 0.0163 0.70 6 16.4 0.38 0 0.7675 4.68 10 17.47 385 0.0161 0.82 8 18.3 0.32 0 0.6644 4.88 11 17.48 381 0.0159 0.85 9 18.5 0.37 0 0.5436 4.88 12 17.49 392 0.0161 0.95 11 16.8 0.35 0 0.7516 4.87 13 17.64 404 0.0160 0.78 7 17.5 0.39 1 0.7794 5.87 14 17.64 420 0.0159 0.72 10 18.2 0.37 0 0.7195 4.37 15 17.73 377 0.0161 0.84 9 17.7 0.36 0 0.6910 4.47 16 17.74 381 0.0163 1.01 8 17.1 0.32 0 0.7041 4.11 17 17.85 395 0.0164 0.79 7 16.2 0.33 0 0.6289 3.34 18 17.90 412 0.0164 0.78 7 16.9 0.38 0 0.7908 4.97 19 17.96 403 0.0164 0.75 8 16.9 0.35 0 0.7056 4.68 20 18.01 397 0.0163 0.75 8 17.4 0.40 2 0.7783 6.03 Ave 17.44 397 0.0161 0.78 8 17.2 0.35 0 0.7204 4.86 +/- 0.42 13 0.0002 0.09 2 0.8 0.03 1 0.1053 0.92 Min 16.25 377 0.0154 0.61 4 15.6 0.31 0 0.5209 3.27 Max 18.01 420 0.0164 1.01 11 18.7 0.41 2 0.9709 7.17 Cut 0.02 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper H MET 11 - QD1 LEU 21 3.72 20 0.07 0.12 ++++++++++++*+++++++ peak 2126 H LEU 21 - QD1 LEU 21 QD1 LEU 21 - H ASP 100 Upper HA MET 11 - HB2 ASN 106 4.69 10 0.04 0.13 + +++ ++ * ++ + peak 7805 HA PHE 40 - HB2 ASN 106 HA CYS 76 - HB2 ASN 106 HA ASP 100 - HB2 ASN 106 HA GLN 105 - HB2 ASN 106 Upper HB2 MET 11 - H GLN 103 3.46 16 0.12 0.19 ++ *++++ +++++++ ++ peak 1287 HB2 LYS 46 - H GLN 103 HB2 GLU 94 - H GLN 103 H GLN 103 - HB3 GLN 103 H GLN 103 - HG LEU 114 Upper HB3 ASN 12 - HB2 GLN 105 4.73 11 0.04 0.13 ++++ + + + + *++ peak 7782 HB2 PHE 40 - HB2 GLN 105 HB2 ASP 100 - HB2 GLN 105 HB2 GLN 105 - HB2 ASN 106 Upper HD21 ASN 12 - HB3 LYS 119 3.47 20 0.08 0.12 ++++++*+++++++++++++ peak 5210 H ARG 57 - HB3 LYS 119 HB3 PRO 30 - H LYS 119 H LYS 119 - HB3 LYS 119 Upper HA SER 13 - QG2 ILE 22 4.06 20 0.36 0.65 +++++++++++*++++++++ peak 6287 QG2 ILE 22 - HA VAL 26 HA VAL 26 - QD1 LEU 27 HA VAL 26 - QD2 LEU 27 HA VAL 26 - QG2 VAL 49 Upper HA SER 13 - HD2 ARG 53 4.01 16 0.15 0.54 + *++++++++ +++ +++ peak 8428 HA ILE 22 - HD2 ARG 53 HA VAL 26 - HD2 ARG 53 HA CYS 52 - HD2 ARG 53 HD2 ARG 53 - HA VAL 66 HD2 ARG 53 - HA ARG 92 HD2 ARG 53 - HA LEU 126 Upper HA SER 13 - HD3 ARG 53 4.11 6 0.04 0.30 *+ + + ++ peak 8429 HA ILE 22 - HD3 ARG 53 HA VAL 26 - HD3 ARG 53 HA CYS 52 - HD3 ARG 53 HD3 ARG 53 - HA VAL 66 HD3 ARG 53 - HA ARG 92 HD3 ARG 53 - HA LEU 126 Upper HB2 SER 13 - HD2 ARG 53 4.04 9 0.07 0.39 + + + ++*++ + peak 3162 HA ARG 53 - HD2 ARG 53 HD2 ARG 53 - HB THR 62 HD2 ARG 53 - HB THR 95 HD2 ARG 53 - HB2 SER 112 HD2 ARG 53 - HB3 SER 112 Upper HB2 SER 13 - HD3 ARG 53 4.13 19 0.24 0.59 +* +++++++++++++++++ peak 3170 HA ARG 53 - HD3 ARG 53 HD3 ARG 53 - HB THR 62 HD3 ARG 53 - HB THR 95 HD3 ARG 53 - HB2 SER 112 HD3 ARG 53 - HB3 SER 112 Upper HB2 SER 13 - H VAL 115 4.82 6 0.01 0.05 + ++ + + * peak 7961 HA GLU 15 - H VAL 115 HA THR 19 - H VAL 115 HA LEU 77 - H VAL 115 HB3 ASN 79 - H VAL 115 H VAL 115 - HA THR 116 H VAL 115 - HA LYS 119 Upper HB3 SER 13 - HB2 LEU 41 4.63 6 0.05 0.41 ++ +* + + peak 6006 HD2 PRO 30 - HB2 LEU 41 HA GLU 38 - HB2 LEU 41 HA GLU 38 - HB2 LEU 55 HB2 LEU 41 - HA LEU 54 HA LEU 54 - HB2 LEU 55 HB2 LEU 41 - HA GLU 73 HB2 LEU 41 - HA CYS 87 HB2 LEU 55 - HA CYS 87 Upper HB3 SER 13 - QD1 LEU 91 3.84 7 0.10 0.36 +++ +* + + peak 7588 HD2 PRO 30 - QD1 LEU 91 HB3 SER 35 - QD1 LEU 91 HA GLU 38 - QD1 LEU 91 HA CYS 87 - QD1 LEU 91 HA CYS 87 - QD1 LEU 114 HB3 SER 90 - QD1 LEU 91 Upper QB ALA 14 - HB2 CYS 87 3.88 6 0.02 0.11 *++ + + + peak 6629 HD2 LYS 46 - HB2 CYS 87 HD2 LYS 65 - HB2 CYS 87 HD3 LYS 65 - HB2 CYS 87 HB2 CYS 87 - QB ALA 89 HB2 CYS 87 - HB3 LEU 91 HB2 CYS 87 - HB2 LEU 93 HB2 CYS 87 - HG2 LYS 119 HD1 TRP 20 - QD1 ILE 34 QD1 ILE 34 - HZ PHE 40 Upper H GLU 15 - HB3 GLU 15 3.43 20 0.15 0.16 +++*++++++++++++++++ peak 807 H GLU 15 - HB2 PRO 30 H GLU 15 - HG2 GLU 69 H GLU 15 - HG12 ILE 80 H GLU 15 - HB VAL 115 Upper H GLU 15 - HG3 PRO 30 3.53 16 0.06 0.15 ++++++++++ ++++* + peak 6005 H GLU 15 - HB2 LYS 32 H GLU 15 - HB2 PRO 37 H GLU 15 - HB3 GLU 56 H GLU 15 - HB2 PRO 60 H GLU 15 - HB2 GLU 75 H GLU 15 - HB2 LEU 117 H GLU 15 - HG LEU 117 HA GLU 38 - HB2 LEU 41 HA GLU 38 - HB2 LEU 55 HA GLU 38 - HG2 PRO 60 HA GLU 38 - HB2 GLU 94 HA GLU 38 - HB3 GLU 94 Upper HA GLU 15 - QG2 THR 19 3.04 13 0.06 0.12 +++ + ++ +++* +++ peak 2015 HA THR 19 - QG2 THR 19 QG2 THR 19 - HA THR 116 QG2 THR 19 - HA LYS 119 Upper HA GLU 15 - H GLN 103 4.87 20 0.16 0.24 ++++++++++++*+++++++ peak 7770 HA THR 19 - H GLN 103 HA THR 33 - H GLN 103 HB THR 33 - H GLN 103 HB2 SER 35 - H GLN 103 HA LEU 77 - H GLN 103 H GLN 103 - HA3 GLY 104 Upper HB2 GLU 15 - QD1 ILE 80 3.89 7 0.02 0.09 + + +* ++ + peak 8343 HG LEU 21 - QD1 ILE 80 HG3 GLU 69 - QD1 ILE 80 QD1 ILE 80 - HB3 ARG 81 QD1 ILE 80 - HB2 LEU 101 QD1 ILE 80 - HB2 LEU 114 Upper HB3 GLU 15 - H GLU 69 3.92 12 0.06 0.12 +*+++++ +++ + + peak 1104 HB2 PRO 30 - H GLU 69 H GLU 69 - HG2 GLU 69 H GLU 69 - HG12 ILE 80 H GLU 69 - HB VAL 115 Upper HG2 GLU 15 - QG2 THR 19 4.95 6 0.04 0.24 + + *++ + peak 6377 HB VAL 18 - QG2 THR 19 QG2 THR 19 - HG2 PRO 70 QG2 THR 19 - HB2 GLU 82 QG2 THR 19 - HB3 GLU 82 QG2 THR 19 - HB2 GLN 103 Upper HG3 GLU 15 - H GLN 16 4.31 10 0.02 0.05 + + ++ +++++ * peak 33 H GLN 16 - HG2 GLU 38 H GLN 16 - HG3 GLU 38 H GLN 16 - HG2 GLU 56 H GLN 16 - HB2 PRO 70 Upper HG3 GLU 15 - H GLU 75 3.70 6 0.01 0.08 + ++ + + * peak 4704 HG2 GLU 38 - H GLU 75 HG3 GLU 38 - H GLU 75 HG2 GLU 56 - H GLU 75 HB2 PRO 68 - H GLU 75 HB2 PRO 70 - H GLU 75 H GLU 75 - HB3 LEU 117 QE PHE 96 - H LEU 101 QE PHE 96 - QE PHE 107 Upper HG3 GLU 15 - H GLU 75 3.68 6 0.01 0.03 +++ + + * peak 6350 HG2 GLU 38 - H GLU 75 HG3 GLU 38 - H GLU 75 HG2 GLU 56 - H GLU 75 HB2 PRO 68 - H GLU 75 HB2 PRO 70 - H GLU 75 H GLU 75 - HB3 LEU 117 QG2 VAL 18 - QE PHE 40 QG2 VAL 18 - H LYS 65 QG2 VAL 18 - QD TYR 67 QG2 VAL 18 - QD TYR 102 QG2 VAL 18 - QD PHE 107 Upper HA GLN 16 - HG2 GLN 16 3.56 9 0.03 0.14 *++ ++ ++ + + peak 1938 HA GLN 16 - HG2 GLN 105 HA GLN 16 - HG3 GLN 105 Upper HA GLN 16 - HA THR 17 3.54 15 0.09 0.20 +++ + ++ + *+++ ++++ peak 5962 HA GLN 16 - HB THR 19 HA GLN 16 - HA VAL 26 HA LEU 58 - HA LYS 109 Upper HB2 GLN 16 - HA THR 17 3.94 9 0.10 0.42 +++ *+ ++ ++ peak 5948 HB3 GLN 16 - HA THR 17 HB2 GLN 16 - HA VAL 26 HB3 GLN 16 - HA VAL 26 Upper H THR 17 - QG2 THR 17 3.69 20 0.05 0.06 +++++++++*++++++++++ peak 821 QG2 THR 17 - H THR 116 Upper H THR 17 - QG2 VAL 18 4.24 9 0.03 0.08 +++ ++ * ++ + peak 6328 QG2 VAL 18 - H THR 116 H THR 17 - HB3 LEU 111 HB3 LEU 111 - H THR 116 Upper HA THR 17 - QG1 VAL 18 2.86 18 0.34 0.51 +++*+ +++ ++++++++++ peak 3376 QG1 VAL 18 - HB THR 19 HB THR 19 - QD2 LEU 58 HA LEU 58 - QD2 LEU 58 QD2 LEU 58 - HA GLU 64 QD2 LEU 58 - HA GLU 94 Upper HB THR 17 - QG2 ILE 34 4.11 6 0.02 0.06 + ++ * + + peak 6626 QG2 ILE 34 - HA SER 35 QG2 ILE 34 - HA PHE 40 QG2 ILE 34 - HA CYS 76 QG2 ILE 34 - HA ASP 100 Upper HB THR 17 - QG2 VAL 115 4.34 20 0.13 0.29 +++++*++++++++++++++ peak 7976 HA PHE 40 - QG2 VAL 115 HA CYS 76 - QG2 VAL 115 QG2 VAL 115 - HB THR 116 Upper QG2 THR 17 - HB3 TRP 20 2.95 8 0.03 0.10 + + + +*+ ++ peak 8054 QG2 THR 17 - HA GLN 42 QG2 THR 17 - HB3 PHE 83 QG2 ILE 80 - QG2 VAL 120 QD1 ILE 80 - QG2 VAL 120 QG2 THR 116 - QG2 VAL 120 Upper QG2 THR 17 - QG2 ILE 22 4.05 20 0.39 0.53 +++++*++++++++++++++ peak 6436 QG2 ILE 22 - QG2 THR 23 QG2 ILE 22 - HB3 LEU 84 QG2 ILE 22 - HG CYS 87 QG2 ILE 22 - HG3 LYS 119 Upper QG2 THR 17 - H LEU 45 4.27 8 0.04 0.20 ++ + *++ + + peak 6838 QB ALA 43 - H LEU 45 H LEU 45 - HG2 LYS 46 H LEU 45 - HG3 LYS 46 Upper QG2 THR 17 - QD2 LEU 45 4.14 17 0.10 0.23 + ++++ + +++++++++*+ peak 8283 QG2 THR 23 - QD2 LEU 45 QB ALA 43 - QD2 LEU 45 QD2 LEU 45 - HG2 LYS 46 QD2 LEU 45 - HG3 LYS 46 QG1 VAL 50 - HB3 LEU 84 QG1 VAL 50 - HG3 LYS 119 Upper QG2 THR 17 - H GLY 88 4.44 7 0.04 0.14 + +++ ++ * peak 7551 QG2 THR 23 - H GLY 88 QB ALA 43 - H GLY 88 HG2 LYS 46 - H GLY 88 HG3 LYS 46 - H GLY 88 HB3 LEU 84 - H GLY 88 HG CYS 87 - H GLY 88 H GLY 88 - HG3 LYS 119 Upper QG2 THR 17 - H LEU 114 4.01 8 0.02 0.07 + + + ++ ++ * peak 7936 QB ALA 43 - H LEU 114 HG2 LYS 46 - H LEU 114 HG3 LYS 46 - H LEU 114 HB3 LEU 59 - H LEU 114 HB3 LEU 84 - H ALA 89 HB3 LEU 84 - H LEU 114 HG CYS 87 - H ALA 89 HG CYS 87 - H LEU 114 H LEU 114 - HG3 LYS 119 HG2 LYS 65 - HB3 SER 113 HG3 LYS 65 - HB3 SER 113 QG2 THR 95 - HB3 SER 113 QD1 LEU 101 - HB3 SER 113 HB3 SER 113 - QG2 ILE 124 Upper H VAL 18 - H GLU 28 3.86 14 0.37 0.63 ++++ + ++ +++ *+++ peak 1443 H GLU 28 - H SER 29 H GLU 28 - H ILE 34 Upper H VAL 18 - HB THR 33 3.20 20 0.30 0.40 ++++*+++++++++++++++ peak 5536 HB THR 33 - H ILE 34 Upper H VAL 18 - QG2 ILE 34 3.89 12 0.04 0.13 ++ + + +++ +* +++ peak 2601 H ILE 34 - QG2 ILE 34 Upper HA VAL 18 - HG2 GLU 69 4.92 8 0.10 0.30 ++ +*+++ + peak 7247 HB2 SER 44 - HG2 GLU 69 HG2 GLU 69 - HD3 PRO 70 Upper HA VAL 18 - HG3 GLU 69 5.07 20 0.17 0.28 ++++++++++++++++*+++ peak 7248 HB2 SER 44 - HG3 GLU 69 HB ILE 63 - HD3 PRO 70 HG2 GLU 64 - HD3 PRO 70 HG3 GLU 69 - HD3 PRO 70 Upper HA VAL 18 - HB3 CYS 87 3.68 8 0.04 0.17 + + ++ + + +* peak 5987 HB2 PHE 83 - HB3 CYS 87 HA LEU 84 - HB3 CYS 87 HB3 CYS 87 - HB2 PHE 96 HA TRP 20 - HB THR 23 HB THR 23 - HA LEU 45 Upper HB VAL 18 - H LYS 119 3.54 8 0.05 0.21 + +* ++ ++ + peak 606 HB2 LEU 54 - H LYS 119 HG2 PRO 70 - H LYS 119 HB3 ASN 118 - H LYS 119 Upper QG1 VAL 18 - QD1 LEU 21 3.03 12 0.05 0.15 * +++ ++ ++ + +++ peak 7661 QD1 LEU 21 - QD2 LEU 58 QG1 VAL 18 - QD2 LEU 24 QD2 LEU 24 - QD2 LEU 58 QG1 VAL 18 - QD1 LEU 45 QD1 LEU 45 - QD2 LEU 58 QD1 LEU 84 - H ALA 98 QD1 LEU 91 - H ALA 98 H ALA 98 - HG LEU 111 H ALA 98 - QD2 LEU 111 Upper QG1 VAL 18 - QD2 LEU 21 3.50 16 0.14 0.38 ++*++ +++ ++++++++ peak 7241 QD2 LEU 21 - HB3 LEU 27 QD2 LEU 21 - QD1 LEU 58 QD2 LEU 21 - QD2 LEU 58 QD2 LEU 21 - QD1 LEU 101 QD2 LEU 21 - QD2 LEU 101 QD2 LEU 21 - QG1 VAL 120 QD2 LEU 54 - H GLU 69 QG1 VAL 66 - H GLU 69 H GLU 69 - HG3 GLU 75 H GLU 69 - QD1 LEU 77 H GLU 69 - QD1 LEU 114 Upper QG1 VAL 18 - HB2 LYS 32 3.56 8 0.04 0.24 + * ++ ++ ++ peak 8404 QG1 VAL 18 - HB2 PRO 37 QG1 VAL 18 - HG LEU 41 HB3 ARG 57 - QD2 LEU 58 QG1 VAL 18 - HB2 GLU 69 QD2 LEU 58 - HB3 ARG 92 Upper QG1 VAL 18 - HE22 GLN 42 2.95 9 0.08 0.37 + ++ +* + ++ + peak 1764 HB3 LEU 27 - HE22 GLN 42 HE22 GLN 42 - QD1 LEU 58 HE22 GLN 42 - QD2 LEU 58 HE22 GLN 42 - HG2 LYS 65 HE22 GLN 42 - HG3 LYS 65 HE22 GLN 42 - QD1 LEU 101 H SER 112 - H LEU 114 H LEU 114 - H THR 116 Upper QG2 VAL 18 - H LYS 32 3.77 8 0.02 0.10 + + +*+ ++ + peak 905 HB3 LEU 24 - H LYS 32 H LYS 32 - HG2 LYS 32 H LYS 32 - HB2 LEU 77 H LYS 32 - HG LEU 77 H LYS 32 - HB3 LEU 111 H LYS 32 - HG13 ILE 124 Upper QG2 VAL 18 - H LEU 77 3.43 17 0.17 0.20 ++ ++++++++++++ ++* peak 1140 HB3 LEU 24 - H LEU 77 HG2 LYS 32 - H LEU 77 H LEU 77 - HB2 LEU 77 H LEU 77 - HB3 LEU 111 Upper QG2 VAL 18 - H SER 78 4.05 20 0.17 0.31 +++++++++++++*++++++ peak 370 HB3 LEU 24 - H SER 78 HG2 LYS 32 - H SER 78 HG3 LYS 32 - H SER 78 HG LEU 77 - H SER 78 H SER 78 - HB3 LEU 111 H SER 78 - HG13 ILE 124 Upper QG2 VAL 18 - H VAL 110 4.44 19 0.10 0.25 +++++ +++++*++++++++ peak 7884 HG LEU 77 - H VAL 110 H VAL 110 - HB3 LEU 111 Upper QG2 VAL 18 - H SER 112 3.37 6 0.02 0.10 +++ *+ + peak 568 HG LEU 77 - H SER 112 HB3 LEU 111 - H SER 112 Upper H THR 19 - QD PHE 107 3.83 12 0.06 0.13 + ++ +++ +++ +*+ peak 7240 H GLN 42 - QD PHE 107 H SER 78 - QD PHE 107 QD PHE 107 - H SER 112 QG2 ILE 22 - H GLU 69 QD2 LEU 27 - H GLU 69 QD1 LEU 41 - H GLU 69 QG2 VAL 49 - H GLU 69 QD1 LEU 55 - H GLU 69 QD1 ILE 63 - H GLU 69 H GLU 69 - QG2 VAL 115 H GLU 69 - QD1 LEU 117 Upper HA THR 19 - HB2 LEU 21 3.39 20 0.16 0.37 ++++++++++*+++++++++ peak 8506 HA THR 19 - HG LEU 58 HG LEU 58 - HA THR 116 HA THR 19 - HB3 GLU 69 HA THR 19 - HB ILE 80 HB ILE 80 - HA THR 116 HA THR 19 - HB3 LYS 119 HA THR 116 - HB3 LYS 119 QD1 LEU 21 - HG LEU 58 QD2 LEU 24 - HG LEU 58 QG1 VAL 26 - HG LEU 58 QG2 VAL 26 - HG LEU 58 QD1 LEU 45 - HG LEU 58 Upper HB THR 19 - H TRP 20 3.75 9 0.02 0.07 ++ + *+ +++ + peak 5462 HB THR 19 - H ILE 22 HB THR 19 - H GLU 69 Upper QG2 THR 19 - H ASN 79 4.72 8 0.02 0.09 + + +++ * + + peak 7371 HG3 LYS 32 - H ASN 79 HG LEU 77 - H ASN 79 H ASN 79 - QG2 ILE 80 H ASN 79 - QD1 ILE 80 H ASN 79 - QG2 THR 116 H ASN 79 - HG13 ILE 124 Upper QG2 THR 19 - HB VAL 115 4.92 20 0.21 0.28 +++++++*++++++++++++ peak 7963 HG LEU 77 - HB VAL 115 QG2 ILE 80 - HB VAL 115 QD1 ILE 80 - HB VAL 115 HB VAL 115 - QG2 THR 116 Upper H TRP 20 - HD1 TRP 20 4.78 20 0.19 0.23 ++++++++++*+++++++++ peak 835 H TRP 20 - HZ PHE 40 H TRP 20 - QD PHE 96 Upper H TRP 20 - HD1 TRP 20 4.70 20 0.29 0.34 ++++++++++*+++++++++ peak 4632 HD1 TRP 20 - H GLU 69 Upper H TRP 20 - HE3 TRP 20 4.32 20 0.25 0.34 ++++*+++++++++++++++ peak 836 H TRP 20 - H CYS 52 H TRP 20 - H CYS 76 H TRP 20 - H SER 113 Upper H TRP 20 - HG2 GLU 69 3.92 12 0.06 0.12 +*+++++ +++ + + peak 3777 H VAL 49 - HG2 GLU 69 H GLU 69 - HG2 GLU 69 Upper HA TRP 20 - HE1 TRP 20 4.93 18 0.09 0.21 ++++ +++++*++ ++++++ peak 2024 Upper HA TRP 20 - HG2 GLU 69 3.56 7 0.04 0.14 *+ +++++ peak 3778 HA GLU 69 - HG2 GLU 69 Upper HB2 TRP 20 - H LEU 21 3.87 6 0.02 0.13 * ++ + + + peak 57 H LEU 21 - HD3 PRO 30 H LEU 21 - HA3 GLY 86 Upper HE1 TRP 20 - HB2 ASP 47 3.07 9 0.06 0.30 + ++ +* + + ++ peak 7192 HE1 TRP 20 - HA LEU 51 HE1 TRP 20 - HD2 PRO 60 HE1 TRP 20 - HA ASN 118 QG2 ILE 22 - QG2 VAL 66 QG1 VAL 49 - QG2 VAL 66 QG2 VAL 49 - QG2 VAL 66 QG2 VAL 66 - QD1 LEU 117 Upper HZ3 TRP 20 - QD1 LEU 45 4.50 12 0.05 0.22 ++++++ + + + ++* peak 5582 QD1 LEU 45 - H LYS 46 QD1 LEU 45 - QE TYR 102 QD1 LEU 45 - HE22 GLN 103 Upper HH2 TRP 20 - QD1 LEU 21 4.11 20 0.26 0.35 ++*+++++++++++++++++ peak 6398 QD1 LEU 21 - H LEU 27 QD1 LEU 21 - HE21 GLN 42 QD1 LEU 21 - HZ PHE 107 Upper H LEU 21 - QD1 LEU 21 3.74 9 0.02 0.07 ++ + *+ ++++ peak 846 H LEU 21 - QD2 LEU 24 Upper HA LEU 21 - QD1 LEU 21 3.35 19 0.22 0.32 ++++++++++++++ +*+++ peak 2103 HA LEU 21 - QD2 LEU 24 Upper HA LEU 21 - QG2 ILE 22 4.34 10 0.05 0.17 +++ ++ * ++++ peak 6402 HA LEU 21 - QD1 LEU 27 HA LEU 21 - QD2 LEU 27 Upper HA LEU 21 - H LEU 27 3.96 11 0.06 0.20 + + +++++ +*+ + peak 6871 H LEU 27 - HA VAL 50 H LEU 27 - HA2 GLY 86 HB2 ASP 47 - HB3 PRO 60 HB2 ASP 47 - HG2 PRO 70 HB2 ASP 47 - HB3 ASN 118 Upper HA LEU 21 - HB2 ARG 53 3.76 12 0.04 0.14 +++ ++* ++ ++ + + peak 1585 HA VAL 50 - HB2 ARG 53 HB2 ARG 53 - HA2 GLY 86 H GLY 39 - H LEU 41 H LEU 41 - H LEU 55 H LEU 41 - H SER 78 H LEU 41 - HD22 ASN 79 H LEU 41 - H GLN 105 Upper HB2 LEU 21 - QD1 LEU 54 3.69 10 0.06 0.19 +++ + ++ + *+ + peak 8328 QD1 LEU 54 - HG LEU 58 QD1 LEU 54 - HB ILE 80 HB3 ASP 47 - HG3 PRO 70 Upper HB2 LEU 21 - H LEU 58 3.20 15 0.23 0.39 + +++ +++ ++++* +++ peak 1049 H LEU 58 - HG LEU 58 H LEU 58 - HB2 GLU 64 H LEU 58 - HB3 GLU 64 H LEU 58 - HB ILE 80 H LEU 58 - HB2 LYS 109 H LEU 58 - HB3 LYS 119 Upper HB2 LEU 21 - H LEU 59 3.76 16 0.44 0.63 + +++ +++++++++ +*+ peak 275 HB ILE 22 - H LEU 59 HB3 PRO 30 - H LEU 59 HG LEU 58 - H LEU 59 H LEU 59 - HB ILE 80 H LEU 59 - HB2 ARG 85 H LEU 59 - HB3 ARG 85 H LEU 59 - HB2 LYS 109 H LEU 59 - HB3 LYS 119 Upper HB2 LEU 21 - QD1 LEU 111 3.86 18 0.11 0.25 ++++ +++++ ++++*++++ peak 7420 HB3 PRO 30 - QD1 LEU 111 HB2 GLU 38 - QD1 LEU 111 HG LEU 58 - QD1 LEU 111 HB2 GLU 64 - QD1 LEU 111 HB3 GLU 64 - QD1 LEU 111 HB ILE 80 - QD1 LEU 111 HB2 LYS 109 - QD1 LEU 111 QD1 LEU 111 - HB3 LYS 119 QD2 LEU 54 - QD1 ILE 80 QD1 LEU 77 - QD1 ILE 80 Upper HB2 LEU 21 - QD1 LEU 111 3.76 6 0.02 0.09 + + + +* + peak 8270 HB3 PRO 30 - QD1 LEU 111 HB2 GLU 38 - QD1 LEU 111 HG LEU 58 - QD1 LEU 111 HB2 GLU 64 - QD1 LEU 111 HB3 GLU 64 - QD1 LEU 111 HB ILE 80 - QD1 LEU 111 HB2 LYS 109 - QD1 LEU 111 QD1 LEU 111 - HB3 LYS 119 QD1 LEU 27 - HG LEU 45 QD2 LEU 27 - HG LEU 45 QD1 LEU 41 - HG LEU 45 HG LEU 45 - HG2 LYS 65 HG LEU 45 - HG3 LYS 65 HG LEU 45 - QG2 ILE 124 Upper HB2 LEU 21 - QG2 VAL 120 3.82 12 0.07 0.28 *+ + +++ ++++++ peak 8058 HB ILE 22 - QG2 VAL 120 HB3 LYS 31 - QG2 VAL 120 HB VAL 50 - QG2 VAL 120 HG LEU 55 - QG2 VAL 120 HG LEU 58 - QG2 VAL 120 HB ILE 80 - QG2 VAL 120 HB2 ARG 81 - QG2 VAL 120 HB2 LEU 84 - QG2 VAL 120 HB2 LYS 109 - QG2 VAL 120 HB2 LYS 119 - QG2 VAL 120 Upper HB3 LEU 21 - H LEU 101 4.00 20 0.25 0.35 ++++++++*+++++++++++ peak 1277 H LEU 101 - QD2 LEU 101 Upper HG LEU 21 - QG2 VAL 26 3.57 6 0.03 0.30 + + + *++ peak 7978 QG2 VAL 26 - HG3 PRO 37 QG2 VAL 26 - HB2 ARG 57 QG2 VAL 18 - QG2 VAL 115 HB2 LEU 77 - QG2 VAL 115 HB3 LEU 111 - QG2 VAL 115 Upper QD1 LEU 21 - H ILE 22 4.48 6 0.01 0.05 + * + + + + peak 70 H ILE 22 - QD2 LEU 24 Upper QD1 LEU 21 - H ILE 22 4.44 19 0.12 0.29 +++++++*++++++++ +++ peak 5476 QD1 LEU 21 - H CYS 87 Upper QD1 LEU 21 - H LEU 24 3.73 8 0.06 0.21 ++ + * + +++ peak 864 H LEU 24 - QD2 LEU 24 Upper QD1 LEU 21 - H GLY 25 4.34 18 0.14 0.29 +++++++ ++++++ +*+++ peak 88 QD2 LEU 24 - H GLY 25 H GLY 25 - QD1 LEU 45 H GLY 25 - QD1 LEU 77 Upper QD2 LEU 21 - H ILE 22 4.43 20 0.14 0.21 +++++++*++++++++++++ peak 5477 QD2 LEU 21 - H CYS 87 Upper QD2 LEU 21 - QG2 ILE 22 3.58 8 0.04 0.20 +*+ + ++ + + peak 6410 QD2 LEU 21 - QD1 LEU 27 QD2 LEU 21 - QD2 LEU 27 Upper QD2 LEU 21 - HG13 ILE 22 3.91 13 0.05 0.16 ++++ *+++++ +++ peak 6411 QD2 LEU 21 - QD2 LEU 55 QD2 LEU 21 - QD1 LEU 59 QD2 LEU 21 - HG13 ILE 80 QD2 LEU 21 - QD2 LEU 114 QD2 LEU 21 - QG1 VAL 115 Upper QD2 LEU 21 - H VAL 26 3.86 18 0.21 0.41 ++++*+++++ ++++++++ peak 8518 H VAL 26 - QD1 LEU 54 QE PHE 40 - QD2 LEU 84 H LYS 65 - QD2 LEU 84 HE ARG 81 - QD2 LEU 84 QD2 LEU 84 - QD PHE 107 Upper H ILE 22 - QG2 ILE 22 3.35 10 0.04 0.21 + ++ +++* + + + peak 851 H ILE 22 - QD1 LEU 27 H ILE 22 - QD2 LEU 27 Upper H ILE 22 - QG2 ILE 22 3.65 20 0.09 0.12 +++++++++++++*++++++ peak 2154 QG2 ILE 22 - H CYS 87 Upper H ILE 22 - QD1 ILE 22 3.51 16 0.07 0.19 ++++ ++++ ++* +++++ peak 854 H ILE 22 - QD2 LEU 91 H ILE 22 - QD1 LEU 111 H ILE 22 - QG1 VAL 115 Upper H ILE 22 - HG13 ILE 124 4.93 19 0.08 0.12 +++++++++++++ +++++* peak 5939 H THR 62 - HG13 ILE 124 H SER 74 - HG13 ILE 124 H CYS 87 - HG13 ILE 124 HG13 ILE 124 - H GLY 125 Upper HA ILE 22 - QD1 ILE 22 3.66 19 0.10 0.15 +++++++++*+++++ ++++ peak 2176 QD1 ILE 22 - HA VAL 66 Upper HA ILE 22 - QD1 ILE 22 3.51 20 0.25 0.30 +++++++++*++++++++++ peak 2146 HA ILE 22 - QD1 LEU 111 Upper HB ILE 22 - H GLU 28 2.84 14 0.32 0.78 +++ + ++ +++ ++*++ peak 883 H GLU 28 - HB2 GLU 28 H GLU 28 - HB VAL 50 H GLU 28 - HB2 LEU 84 H GLU 28 - HG LEU 84 Upper HB ILE 22 - H SER 29 3.20 6 0.03 0.27 + *+ + + + peak 107 HB2 GLU 28 - H SER 29 Upper QG2 ILE 22 - H LEU 24 3.77 20 0.17 0.35 ++++++++++++*+++++++ peak 7179 QG2 ILE 22 - H THR 33 QG2 ILE 22 - H GLY 39 QG2 ILE 22 - H LEU 55 QG2 ILE 22 - HD22 ASN 79 QG2 ILE 22 - H GLN 105 HG12 ILE 22 - QG1 VAL 66 HG LEU 55 - QG1 VAL 66 QG1 VAL 66 - HG3 PRO 68 QG1 VAL 66 - HB2 ARG 92 Upper QG2 ILE 22 - H GLU 28 3.10 6 0.03 0.18 + + + * + + peak 104 QD1 LEU 27 - H GLU 28 QD2 LEU 27 - H GLU 28 Upper QG2 ILE 22 - HB2 GLU 28 4.08 14 0.23 0.50 +++ + ++ +++ *++++ peak 6564 QD1 LEU 27 - HB2 GLU 28 QD2 LEU 27 - HB2 GLU 28 HB2 GLU 28 - QD1 LEU 55 HB2 GLU 28 - QG2 VAL 115 HB2 GLU 28 - QD1 LEU 117 Upper QG2 ILE 22 - HG2 GLU 28 4.17 9 0.06 0.26 + * + ++ ++ ++ peak 6565 QG2 ILE 22 - HG3 GLU 28 QD1 LEU 27 - HG2 GLU 28 QD1 LEU 27 - HG3 GLU 28 QD1 ILE 63 - HG3 GLU 64 Upper QG2 ILE 22 - H SER 29 3.58 13 0.11 0.33 ++++ * ++ ++ + +++ peak 8295 QD1 LEU 27 - H SER 29 QD2 LEU 27 - H SER 29 H SER 29 - QG2 VAL 115 HB3 LEU 55 - QD TYR 67 QD TYR 67 - HB3 LEU 77 HB3 LEU 55 - QD PHE 107 HB3 LEU 77 - QD PHE 107 Upper QG2 ILE 22 - HG2 GLU 38 4.03 6 0.03 0.14 ++* + ++ peak 7087 QG2 ILE 22 - HG3 GLU 38 QD1 LEU 27 - HG2 GLU 38 QD1 LEU 27 - HG3 GLU 38 QD2 LEU 27 - HG2 GLU 38 QD2 LEU 27 - HG3 GLU 38 HG2 GLU 38 - QD1 LEU 41 HG3 GLU 38 - QD1 LEU 41 HG2 GLU 38 - HB2 GLN 42 HG3 GLU 38 - HB2 GLN 42 HG2 GLU 38 - QD1 LEU 55 HG3 GLU 38 - QD1 LEU 55 HG2 GLU 38 - QD1 ILE 63 HG3 GLU 38 - QD1 ILE 63 HG2 GLU 38 - QD1 LEU 117 HG3 GLU 38 - QD1 LEU 117 H LEU 59 - QG2 THR 62 H LEU 59 - QG2 VAL 120 Upper QG2 ILE 22 - H LEU 55 3.70 17 0.14 0.32 +*+++++++++++ +++ + peak 1029 H LEU 55 - QD1 LEU 55 H LEU 55 - QD1 ILE 63 H LEU 55 - QG2 VAL 115 Upper HG12 ILE 22 - H THR 23 4.16 7 0.12 0.60 *+++ ++ + peak 76 H THR 23 - HB3 GLU 28 H THR 23 - HG LEU 41 H THR 23 - HB2 GLU 69 H THR 23 - HG2 GLU 73 H THR 23 - HG3 GLU 73 Upper HG12 ILE 22 - HG LEU 27 4.12 9 0.03 0.14 + + * ++ ++++ peak 7336 HG LEU 27 - HG LEU 41 H ASP 36 - QD2 LEU 77 QD2 LEU 77 - H GLN 103 Upper HG12 ILE 22 - H GLU 28 2.82 8 0.13 0.51 ++*+ ++ ++ peak 884 H GLU 28 - HB3 GLU 28 H GLU 28 - HB VAL 50 H GLU 28 - HG3 PRO 68 H GLU 28 - HG LEU 84 Upper HG12 ILE 22 - H SER 29 3.29 18 0.21 0.56 +++ + ++++++++++*+++ peak 108 HB3 GLU 28 - H SER 29 H SER 29 - HG3 PRO 68 Upper HG12 ILE 22 - H LEU 41 3.76 6 0.04 0.17 ++* + ++ peak 946 H LEU 41 - HG LEU 41 H LEU 41 - HG3 ARG 53 H LEU 41 - HB2 PRO 60 H LEU 41 - HG13 ILE 63 Upper HG12 ILE 22 - H GLN 42 4.52 11 0.10 0.32 ++ +*+ + ++ ++ + peak 172 HG LEU 41 - H GLN 42 H GLN 42 - HG3 ARG 53 H GLN 42 - HG13 ILE 63 H GLN 42 - HG2 GLU 73 H GLN 42 - HG3 GLU 73 H GLN 42 - HG2 GLU 75 Upper HG12 ILE 22 - HB3 LEU 58 4.43 11 0.07 0.26 *++ +++ ++ +++ peak 8479 HB2 LEU 24 - HG LEU 41 HB2 LEU 24 - HB3 ARG 57 HB3 ARG 57 - HB3 LEU 58 HB2 LEU 24 - HG2 GLU 73 HB2 LEU 24 - HG3 GLU 73 Upper HG12 ILE 22 - HG LEU 59 4.67 7 0.03 0.12 ++ + + ++* peak 8414 HB3 LYS 31 - HG LEU 59 HG LEU 55 - HG LEU 59 HB2 LEU 58 - HG LEU 59 HG LEU 59 - HB2 LYS 119 Upper HG13 ILE 22 - H THR 23 4.23 18 0.37 0.64 +++ + ++++*+++++++++ peak 77 H THR 23 - QD2 LEU 55 H THR 23 - QD1 LEU 59 H THR 23 - QD1 LEU 93 H THR 23 - QG1 VAL 115 Upper HG13 ILE 22 - H SER 90 4.16 12 0.07 0.17 ++++++ * + +++ + peak 7568 H SER 90 - QD2 LEU 91 H SER 90 - QD1 LEU 93 H SER 90 - HB2 ASN 118 Upper HG13 ILE 22 - HB3 SER 90 3.35 9 0.04 0.23 * ++ ++ ++++ peak 7579 QD2 LEU 55 - HB3 SER 90 QD1 LEU 59 - HB3 SER 90 HB3 SER 90 - QD2 LEU 91 HB3 SER 90 - QD1 LEU 93 Upper QD1 ILE 22 - H THR 23 4.14 20 0.13 0.26 +++++++++++++++*++++ peak 78 H THR 23 - QD2 LEU 91 H THR 23 - QD1 LEU 111 H THR 23 - QG1 VAL 115 Upper QD1 ILE 22 - HG LEU 27 3.46 11 0.09 0.29 * + ++ +++ ++++ peak 6005 QD1 ILE 22 - HG2 PRO 30 QD1 ILE 22 - HB ILE 34 QD1 ILE 22 - HB3 LEU 41 QD1 ILE 22 - HB2 LEU 59 HA GLU 38 - HB2 LEU 41 HA GLU 38 - HB2 LEU 55 HA GLU 38 - HG2 PRO 60 HA GLU 38 - HB2 GLU 94 HA GLU 38 - HB3 GLU 94 Upper QD1 ILE 22 - HB3 PRO 30 4.90 17 0.15 0.37 +++ + +++++++++ *+++ peak 8033 QD1 ILE 22 - HB3 LYS 119 HB3 PRO 30 - QD2 LEU 91 QD2 LEU 91 - HB3 LYS 119 HB3 PRO 30 - QD1 LEU 111 QD1 LEU 111 - HB3 LYS 119 HB2 ASN 118 - HB3 LYS 119 Upper QD1 ILE 22 - H SER 112 4.34 20 0.18 0.22 +++++++++++++++*++++ peak 570 QD2 LEU 91 - H SER 112 QD1 LEU 111 - H SER 112 H SER 112 - HB2 ASN 118 Upper HA THR 23 - QG2 THR 23 2.96 20 0.22 0.24 +++++++++++++*++++++ peak 2185 HA THR 23 - HG2 LYS 46 HA THR 23 - HG3 LYS 46 HA THR 23 - HB3 LEU 84 Upper HA THR 23 - QG2 THR 23 3.01 20 0.16 0.18 +++++++++++++*++++++ peak 2191 QG2 THR 23 - HA2 GLY 25 QG2 THR 23 - HA ARG 85 Upper HA THR 23 - HB2 LEU 77 4.40 6 0.01 0.08 + ++ +* + peak 6204 HA SER 74 - HB2 LEU 77 HB2 LEU 77 - HA2 GLY 125 HB2 LEU 77 - HA3 GLY 125 H LEU 58 - HA LYS 109 HE21 GLN 103 - HA LYS 109 HA LYS 109 - H LEU 111 HA LYS 109 - H THR 121 Upper HA THR 23 - H CYS 87 4.41 9 0.02 0.09 ++ + *+ ++ + + peak 7356 HA ALA 43 - H CYS 87 HB THR 62 - H CYS 87 HA ARG 85 - H CYS 87 HG12 ILE 22 - H LEU 77 HB3 GLU 28 - H LEU 77 HB3 LYS 31 - H LEU 77 HB VAL 50 - H LEU 77 HG LEU 55 - H LEU 77 HG2 GLU 73 - H LEU 77 HG3 GLU 73 - H LEU 77 H LEU 77 - HG LEU 84 H LEU 77 - HB2 LYS 119 Upper HB THR 23 - H LEU 24 3.63 20 0.36 0.52 +++++++++++++++++++* peak 81 Upper H LEU 24 - HB2 LEU 24 3.26 7 0.05 0.17 ++ * + +++ peak 861 H LEU 24 - HD3 LYS 46 H LEU 24 - HB3 LEU 58 H LEU 24 - HG2 ARG 85 Upper H LEU 24 - QD1 LEU 24 3.90 9 0.04 0.14 *++ ++ + +++ peak 865 Upper H LEU 24 - HA SER 74 4.40 10 0.04 0.16 ++ + +*+ ++ ++ peak 6605 H THR 33 - HA SER 74 H GLY 39 - HA SER 74 H GLN 42 - HA SER 74 HA SER 74 - H SER 78 HA SER 74 - H GLN 105 HG2 PRO 30 - HE2 LYS 32 HG2 PRO 30 - HE3 LYS 32 HG2 PRO 30 - HB3 PHE 96 Upper H LEU 24 - H ASN 79 3.62 19 0.13 0.41 +++++++*++ +++++++++ peak 1154 H THR 33 - H ASN 79 H GLY 39 - H ASN 79 H ASN 79 - HD22 ASN 79 H ASN 79 - H GLN 105 Upper HA LEU 24 - H LYS 32 3.31 17 0.14 0.23 *++++ +++ ++++++ +++ peak 119 HA LYS 31 - H LYS 32 H LYS 32 - HA LEU 55 Upper HA LEU 24 - H SER 78 3.35 9 0.06 0.17 + + + ++ ++ + * peak 1148 HA3 GLY 25 - H SER 78 HA PRO 37 - H SER 78 H SER 78 - HB3 SER 78 H SER 78 - HA PHE 83 H SER 78 - HB2 SER 113 Upper HB2 LEU 24 - HA LEU 111 4.02 6 0.02 0.11 ++++ +* peak 6823 HB3 LEU 58 - HA LEU 111 HG LEU 91 - HA LEU 111 HG LEU 93 - HA LEU 111 HA LEU 111 - HB3 LEU 114 HG LEU 27 - H SER 44 HB3 LEU 41 - H SER 44 HB3 GLN 42 - H SER 44 HG3 GLN 42 - H SER 44 H SER 44 - HG3 ARG 85 Upper HB2 LEU 24 - HA LEU 111 3.50 11 0.12 0.33 +++* + + + ++ ++ peak 4774 HB3 LEU 58 - HA LEU 111 HG LEU 91 - HA LEU 111 HG LEU 93 - HA LEU 111 HA LEU 111 - HB3 LEU 114 HG LEU 41 - HZ PHE 107 HG3 ARG 53 - HZ PHE 107 HB3 ARG 57 - HZ PHE 107 HG13 ILE 63 - HZ PHE 107 Upper HG LEU 24 - H GLY 25 4.32 15 0.11 0.27 +++*++ ++ +++ ++ ++ peak 87 H GLY 25 - HB3 LEU 45 H GLY 25 - HD2 LYS 46 H GLY 25 - HG3 ARG 57 Upper HG LEU 24 - H LYS 32 4.85 12 0.11 0.25 + ++*+ + + +++++ peak 123 HG3 LYS 31 - H LYS 32 H LYS 32 - HB3 GLU 75 H LYS 32 - HB2 LEU 93 H LYS 32 - HG2 LYS 119 Upper HG LEU 24 - HB2 LEU 41 3.93 20 0.10 0.17 +++++++++++++++++++* peak 1579 HG3 LYS 31 - HB2 LEU 55 HB2 LEU 41 - HB3 LEU 45 HB2 LEU 41 - HD2 LYS 46 HD2 PRO 30 - H PHE 40 HA GLU 38 - H PHE 40 Upper QD2 LEU 24 - H SER 78 4.28 17 0.07 0.15 ++*++++ ++ +++++ +++ peak 372 QD2 LEU 54 - H SER 78 QG1 VAL 66 - H SER 78 HG3 GLU 75 - H SER 78 QD1 LEU 77 - H SER 78 Upper HA3 GLY 25 - H ASN 79 3.61 14 0.05 0.12 * + +++ +++++ ++ ++ peak 376 HA ILE 63 - H ASN 79 HB3 SER 78 - H ASN 79 H ASN 79 - HA PHE 83 H ASN 79 - HA ALA 98 Upper H VAL 26 - HA LEU 27 4.26 20 0.18 0.26 +++++++++++++++++++* peak 6539 HA LEU 27 - QE PHE 40 HA LEU 27 - QE PHE 96 HA LEU 27 - QD TYR 102 Upper H VAL 26 - HB2 LEU 27 4.73 11 0.07 0.32 + + + ++ + ++*++ peak 6495 H VAL 26 - HB2 LEU 51 H VAL 26 - QB ALA 98 H VAL 26 - HB3 LEU 101 H VAL 26 - HB VAL 110 Upper HA VAL 26 - HA VAL 49 3.88 10 0.09 0.26 * ++ +++ ++++ peak 8529 HA VAL 49 - HA CYS 52 HA VAL 49 - HA VAL 66 HB3 CYS 87 - QG2 THR 95 Upper QG1 VAL 26 - H GLY 48 3.41 6 0.03 0.15 + * + +++ peak 7664 QG2 VAL 26 - H GLY 48 QD1 LEU 45 - H GLY 48 H GLY 48 - QD1 LEU 51 HB VAL 50 - QB ALA 98 HB2 ARG 81 - QB ALA 98 HB2 LEU 84 - QB ALA 98 HG LEU 84 - QB ALA 98 HB2 LYS 119 - QB ALA 122 Upper H LEU 27 - HG LEU 27 4.77 6 0.01 0.04 + + + +* + peak 2283 HG LEU 27 - HE21 GLN 42 HG LEU 27 - HZ PHE 107 Upper H LEU 27 - HG LEU 27 4.45 19 0.23 0.37 +++ ++++++++*+++++++ peak 878 H LEU 27 - HB3 LEU 41 Upper H LEU 27 - H GLU 28 4.30 19 0.14 0.22 +++++ +++++++*++++++ peak 1442 Upper H LEU 27 - H GLU 28 4.26 20 0.18 0.26 +++++++++++++*++++++ peak 98 H GLU 28 - HZ PHE 107 Upper H LEU 27 - HG2 GLU 38 4.26 9 0.02 0.10 ++ ++ + + + +* peak 7680 H LEU 27 - HG3 GLU 38 HG2 GLU 38 - HE21 GLN 42 HG3 GLU 38 - HE21 GLN 42 HG2 GLU 38 - QE TYR 67 HG3 GLU 38 - QE TYR 67 HG2 GLU 38 - HZ PHE 107 HG3 GLU 38 - HZ PHE 107 QD2 LEU 45 - HB3 ASN 99 QG1 VAL 50 - HB3 ASN 99 QD2 LEU 77 - HB3 ASN 99 Upper H LEU 27 - QD PHE 107 3.42 14 0.16 0.34 ++ ++ +++ + *+ ++++ peak 4620 HE21 GLN 42 - QD PHE 107 HD22 ASN 99 - QD PHE 107 QD PHE 107 - HZ PHE 107 Upper HB2 LEU 27 - HA LEU 58 4.27 9 0.03 0.12 + + ++++++ * peak 8305 HG2 LYS 31 - HA LEU 58 HA LEU 58 - HG LEU 59 HA LEU 58 - HB3 LEU 93 HB3 LEU 93 - HA GLU 94 HA LEU 58 - HB2 LEU 111 HA LEU 58 - QG2 THR 121 Upper HB2 LEU 27 - H LEU 59 3.59 7 0.07 0.41 ++ + + + +* peak 1056 HB2 LEU 51 - H LEU 59 H LEU 59 - HG LEU 59 H LEU 59 - HB3 LEU 93 H LEU 59 - HB VAL 110 H LEU 59 - HB2 LEU 111 H LEU 59 - QG2 THR 121 H LEU 59 - QB ALA 122 Upper HB2 LEU 27 - H LEU 93 3.30 13 0.19 0.32 ++++++++ * +++ + peak 1233 HG2 LYS 31 - H LEU 93 H LEU 93 - HB3 LEU 93 H LEU 93 - HB VAL 110 H LEU 93 - HB2 LEU 111 H LEU 93 - QG2 THR 121 Upper HB2 LEU 27 - QD TYR 102 4.35 19 0.14 0.28 ++++++++++*+++++ +++ peak 4744 HB2 LEU 51 - QD TYR 102 QB ALA 98 - QD TYR 102 HB3 LEU 101 - QD TYR 102 QD TYR 102 - HB VAL 110 QD TYR 102 - HB2 LEU 111 Upper HB2 LEU 27 - QG1 VAL 120 3.48 10 0.08 0.40 + +*+ + ++ ++ + peak 8047 HB3 LEU 93 - QG1 VAL 120 HB2 LEU 111 - QG1 VAL 120 QG1 VAL 120 - QG2 THR 121 Upper HB2 LEU 27 - H ALA 122 3.02 20 0.61 0.79 ++++++++++++++++*+++ peak 627 HB2 LEU 111 - H ALA 122 QG2 THR 121 - H ALA 122 Upper HB2 LEU 27 - HB2 ASP 123 4.87 18 0.08 0.15 ++++*+ ++++++++++++ peak 8101 QG2 THR 121 - HB2 ASP 123 QB ALA 122 - HB2 ASP 123 Upper HB3 LEU 27 - QD2 LEU 27 2.95 6 0.07 0.24 ++ + *+ + peak 2300 QD2 LEU 27 - QD1 LEU 58 QD2 LEU 27 - QD2 LEU 58 Upper HB3 LEU 27 - H GLU 28 3.89 11 0.09 0.23 +++ ++ *+ ++++ peak 101 H GLU 28 - QD1 LEU 58 Upper HB3 LEU 27 - HA LEU 58 2.84 16 0.13 0.45 +++++ +++ +++ ++* ++ peak 3353 HA LEU 58 - QD1 LEU 58 QD1 LEU 58 - HA GLU 64 HA LEU 58 - QD2 LEU 58 QD2 LEU 58 - HA GLU 64 Upper HB3 LEU 27 - QD TYR 102 4.78 20 0.12 0.23 +++++++++++++++*++++ peak 4746 QD1 LEU 58 - QD TYR 102 HG2 LYS 65 - QD TYR 102 HG3 LYS 65 - QD TYR 102 QD1 LEU 101 - QD TYR 102 Upper HB3 LEU 27 - HA THR 121 4.26 15 0.13 0.39 ++++++* + ++++ +++ peak 8078 QD1 LEU 58 - HA THR 121 QD2 LEU 58 - HA THR 121 QG1 VAL 120 - HA THR 121 Upper HB3 LEU 27 - H ALA 122 3.84 13 0.06 0.13 ++++* + ++ + ++++ peak 6178 QD1 LEU 58 - H ALA 122 QD2 LEU 58 - H ALA 122 QD2 LEU 101 - H ALA 122 QG1 VAL 120 - H ALA 122 HD22 ASN 12 - HA ASN 99 HA ASN 99 - H LEU 101 HA ASN 99 - QE PHE 107 HA ASN 99 - HD22 ASN 108 Upper HG LEU 27 - H GLU 28 3.73 6 0.03 0.13 ++ + *+ + peak 102 H GLU 28 - HB ILE 34 H GLU 28 - HB3 LEU 41 H GLU 28 - HB3 GLN 42 H GLU 28 - HG LEU 51 H GLU 28 - HG3 ARG 85 Upper HG LEU 27 - HG12 ILE 34 3.70 7 0.02 0.14 ++* + + ++ peak 7773 HG LEU 27 - QD2 LEU 45 HG LEU 27 - QG1 VAL 50 HG LEU 27 - QD2 LEU 77 HG2 PRO 70 - HA ASN 79 HA ASN 79 - HB2 GLN 103 HG2 PRO 70 - HA GLU 82 HA GLU 82 - HB2 GLN 103 HA ASN 99 - HB2 GLN 103 Upper HG LEU 27 - H ALA 43 3.50 8 0.05 0.28 + ++ + +*++ peak 178 HB3 LEU 41 - H ALA 43 HB3 GLN 42 - H ALA 43 H ALA 43 - HG3 ARG 85 H ALA 43 - HG LEU 101 Upper QD1 LEU 27 - QD PHE 40 3.97 6 0.04 0.25 *+ + ++ + peak 8409 QD PHE 40 - QD1 LEU 41 QD1 LEU 41 - HE ARG 53 QD1 LEU 27 - QD PHE 83 QD1 LEU 41 - QD PHE 83 QD1 LEU 27 - H LEU 93 Upper QD1 LEU 27 - HA LEU 41 3.45 11 0.06 0.21 ++* ++ + + ++ ++ peak 2813 HA LEU 41 - QD1 LEU 41 QD1 LEU 41 - HA LYS 46 Upper QD1 LEU 27 - H GLU 82 3.78 8 0.12 0.55 +* + +++ ++ peak 8748 QD2 LEU 27 - H GLU 82 QD1 ILE 63 - H GLU 82 QG1 VAL 18 - HA LEU 27 HA LEU 27 - QD2 LEU 58 QG1 VAL 18 - HA GLU 69 QD2 LEU 58 - HA THR 95 QD2 LEU 58 - HB THR 121 Upper H GLU 28 - HB2 GLU 28 3.24 6 0.07 0.41 + + ++* + peak 2310 HB2 GLU 28 - H LEU 84 Upper H GLU 28 - HG2 GLU 28 3.28 15 0.23 0.44 + + * +++++++++ + ++ peak 886 H GLU 28 - HG3 GLU 28 H GLU 28 - HB3 PRO 37 Upper H GLU 28 - HG2 GLU 28 3.41 15 0.14 0.31 + + * +++++++++ + ++ peak 2328 H GLU 28 - HG3 GLU 28 HG2 GLU 28 - H LEU 84 HG3 GLU 28 - H LEU 84 Upper H GLU 28 - H SER 29 4.12 13 0.19 0.38 +++ + ++ +++ *+++ peak 105 Upper H GLU 28 - H GLU 75 4.04 10 0.03 0.13 +++ ++ ++ ++* peak 8245 H LYS 31 - H GLU 75 H GLU 38 - H GLU 75 H PHE 40 - H GLU 75 H GLU 75 - H LEU 77 H GLU 75 - H LEU 84 HA PRO 30 - HB3 LEU 45 HA PRO 30 - HB2 LEU 51 HA PRO 30 - HB3 GLU 75 HA PRO 30 - HB3 LEU 91 HA PRO 30 - HB3 LEU 101 Upper H GLU 28 - HA GLU 75 3.70 19 0.12 0.20 ++*+ +++++++++++++++ peak 7903 H LYS 31 - HA GLU 75 H GLU 38 - HA GLU 75 H PHE 40 - HA GLU 75 HA GLU 75 - H LEU 77 HA GLU 75 - H LEU 84 HA GLU 28 - QD1 LEU 111 HA PRO 37 - QD1 LEU 111 HA ILE 63 - QD1 LEU 111 HB3 SER 78 - QD1 LEU 111 HA ALA 98 - QD1 LEU 111 HA ASN 108 - QD1 LEU 111 QD1 LEU 111 - HB2 SER 113 QD1 LEU 111 - HA ILE 124 Upper HA GLU 28 - HG2 GLU 28 3.19 6 0.03 0.15 + *++ + + peak 2329 HA GLU 28 - HG3 GLU 28 Upper HA GLU 28 - H SER 29 2.59 19 0.37 0.87 +++++++++++++++* +++ peak 106 Upper HA GLU 28 - HB2 SER 29 3.55 20 0.33 0.51 +++++*++++++++++++++ peak 6579 HA GLU 28 - HB3 SER 29 Upper HA GLU 28 - HB2 SER 29 3.78 18 0.10 0.28 + +++*+++++ ++++++++ peak 6544 HA GLU 28 - HB3 SER 29 HA GLU 28 - HA3 GLY 39 Upper HB2 GLU 28 - HB2 SER 29 5.05 8 0.10 0.44 ++*+ ++ + + peak 6566 HB2 GLU 28 - HB3 SER 29 Upper HB3 GLU 28 - H SER 29 3.74 6 0.16 0.62 + + *+ + + peak 5507 Upper HB3 GLU 28 - H GLU 69 3.29 12 0.15 0.32 ++ + ++++ +++*+ peak 324 HB VAL 50 - H GLU 69 HG LEU 55 - H GLU 69 HG3 PRO 68 - H GLU 69 Upper HG2 GLU 28 - HB2 SER 29 4.26 8 0.04 0.25 + ++ + + + * + peak 6567 HG3 GLU 28 - HB2 SER 29 HG2 GLU 28 - HB3 SER 29 HG3 GLU 28 - HB3 SER 29 Upper HG2 GLU 28 - H GLU 64 3.95 7 0.03 0.12 + + * ++ ++ peak 3564 HG3 GLU 28 - H GLU 64 H GLU 64 - HG3 GLU 64 H GLU 64 - HG2 GLU 94 Upper HG2 GLU 28 - H LYS 65 4.30 15 0.06 0.18 + + +++++++ ++*+++ peak 304 HG3 GLU 28 - H LYS 65 HG2 GLU 38 - H LYS 65 HG3 GLU 38 - H LYS 65 HG2 GLU 56 - H LYS 65 HG3 GLU 64 - H LYS 65 H LYS 65 - HB2 PRO 70 H LYS 65 - HG2 GLU 94 H LYS 65 - HB3 LEU 117 Upper H SER 29 - HB2 SER 29 2.75 12 0.10 0.34 ++++ + ++++ +* + peak 890 H SER 29 - HB3 SER 29 Upper HA SER 29 - HB THR 33 4.16 20 0.47 0.56 ++++*+++++++++++++++ peak 6617 HA LYS 32 - HB THR 33 Upper HB2 SER 29 - HG2 PRO 30 4.77 20 0.21 0.65 +++*++++++++++++++++ peak 8185 HB3 SER 29 - HG2 PRO 30 HB2 SER 29 - HD2 LYS 32 HB3 SER 29 - HD2 LYS 32 HB2 SER 29 - HD3 LYS 32 Upper HA PRO 30 - QD2 LEU 91 2.87 7 0.08 0.31 *++ ++ + + peak 4401 HA LEU 91 - QD2 LEU 91 QD2 LEU 91 - HA LEU 101 Upper HB2 PRO 30 - H LYS 32 3.76 8 0.03 0.18 + *+ ++ +++ peak 1585 HB2 PRO 30 - H SER 72 HB2 PRO 30 - H GLU 75 HB2 PRO 30 - HD21 ASN 79 H GLY 39 - H LEU 41 H LEU 41 - H LEU 55 H LEU 41 - H SER 78 H LEU 41 - HD22 ASN 79 H LEU 41 - H GLN 105 Upper HB2 PRO 30 - QD1 ILE 34 3.82 8 0.02 0.10 ++ * + + + + + peak 6981 HB2 PRO 30 - QD2 LEU 51 H LEU 93 - QD1 LEU 114 QD2 LEU 54 - HZ PHE 96 HZ PHE 96 - QD1 LEU 114 Upper HB3 PRO 30 - QD2 LEU 51 3.47 13 0.05 0.12 ++ +* + ++ ++++++ peak 7948 HB2 LEU 41 - QD2 LEU 51 HG LEU 45 - QD2 LEU 51 QD2 LEU 51 - HG2 PRO 60 QD2 LEU 51 - HG LEU 114 H LEU 93 - QD2 LEU 114 HZ PHE 96 - QD2 LEU 114 Upper HB3 PRO 30 - H GLU 69 3.11 8 0.13 0.42 ++ ++*++ + peak 1103 H GLU 69 - HB3 GLU 69 Upper HB3 PRO 30 - HG2 GLU 69 2.85 14 0.09 0.16 ++++++++ +++ +*+ peak 3780 HB3 GLU 69 - HG2 GLU 69 Upper HB3 PRO 30 - H LYS 119 3.24 20 0.30 0.35 +++++++++*++++++++++ peak 1384 HG LEU 58 - H LYS 119 HB ILE 80 - H LYS 119 HB2 LYS 109 - H LYS 119 H LYS 119 - HB3 LYS 119 Upper HG3 PRO 30 - H LYS 31 3.97 18 0.12 0.28 +++++ ++++++++* ++++ peak 115 H LYS 31 - HB2 LYS 32 H LYS 31 - HG2 ARG 71 H LYS 31 - HG3 ARG 71 H LYS 31 - HB2 GLU 75 H LYS 31 - HD2 LYS 109 H LYS 31 - HD3 LYS 109 Upper HG3 PRO 30 - QD1 LEU 59 4.00 15 0.10 0.31 + ++ *++++ ++++ +++ peak 7084 HB3 LYS 46 - QD1 LEU 59 QD2 LEU 55 - HB3 GLU 56 QD2 LEU 55 - HB2 LEU 117 QD1 LEU 59 - HB2 LEU 117 QD2 LEU 55 - HG LEU 117 QD1 LEU 59 - HG LEU 117 Upper HG3 PRO 30 - QE TYR 102 3.93 11 0.04 0.15 ++++ + ++ + *++ peak 7000 HB2 PRO 37 - QE TYR 102 HB2 LEU 45 - QE TYR 102 HB3 LYS 46 - QE TYR 102 HB2 GLU 75 - QE TYR 102 QE TYR 102 - HD2 LYS 109 QE TYR 102 - HD3 LYS 109 QD PHE 40 - HA LEU 55 HA LEU 55 - QD PHE 83 HA LEU 55 - HE ARG 92 HA LEU 55 - H LEU 93 HA LEU 55 - HZ PHE 96 Upper HG3 PRO 30 - QE PHE 107 3.40 13 0.06 0.29 ++++ + + + + +++*+ peak 4774 HB2 LYS 32 - QE PHE 107 HB2 PRO 37 - QE PHE 107 HG2 GLN 42 - QE PHE 107 HB3 ARG 57 - QE PHE 107 HB2 GLU 75 - QE PHE 107 HG2 GLU 75 - QE PHE 107 QE PHE 107 - HB2 LEU 117 QE PHE 107 - HG LEU 117 HG LEU 41 - HZ PHE 107 HG3 ARG 53 - HZ PHE 107 HB3 ARG 57 - HZ PHE 107 HG13 ILE 63 - HZ PHE 107 Upper H LYS 31 - HD2 LYS 31 4.45 10 0.07 0.25 ++++*++ ++ + peak 898 H LYS 31 - HD3 LYS 31 Upper HA LYS 31 - HG3 LYS 31 3.54 15 0.07 0.16 + +++++*+ + ++ + +++ peak 2400 HA LYS 31 - HB2 LEU 93 HA LYS 31 - HG2 LYS 119 Upper HA LYS 31 - HD2 LYS 31 3.52 12 0.04 0.09 ++ + + + + +*++++ peak 2402 HA LYS 31 - HD3 LYS 31 HA LYS 31 - HB2 LEU 59 Upper HA LYS 31 - HB3 LEU 58 3.74 6 0.04 0.56 + + + +* + peak 8415 HA LEU 55 - HB3 LEU 58 HB3 LEU 58 - HA LYS 109 HB3 LEU 58 - HA VAL 120 HG3 ARG 53 - H ARG 71 HB3 GLU 56 - H ARG 71 HB2 PRO 60 - H ARG 71 H ARG 71 - HG2 GLU 75 H ARG 71 - HB3 GLN 105 Upper HB3 LYS 31 - H LYS 32 3.97 12 0.08 0.46 + +*+ ++++ ++ + + peak 121 H LYS 32 - HG LEU 55 H LYS 32 - HB2 LEU 58 H LYS 32 - HG LEU 84 H LYS 32 - HB3 LYS 109 H LYS 32 - HB2 LYS 119 Upper HB3 LYS 31 - H LEU 55 3.99 20 0.40 0.50 ++++++++++++++*+++++ peak 1028 H LEU 55 - HG LEU 55 H LEU 55 - HG3 PRO 68 Upper HB3 LYS 31 - H LEU 59 3.45 20 0.26 0.41 ++++*+++++++++++++++ peak 273 HG LEU 55 - H LEU 59 HB2 LEU 58 - H LEU 59 H LEU 59 - HB3 LYS 109 H LEU 59 - HB2 LYS 119 Upper HG3 LYS 31 - H LEU 59 3.67 14 0.10 0.23 +++++ +++ +++ +* + peak 274 HB3 LEU 58 - H LEU 59 H LEU 59 - HG LEU 93 H LEU 59 - HG2 LYS 109 H LEU 59 - HB3 LEU 114 H LEU 59 - HG2 LYS 119 Upper HG3 LYS 31 - QG2 VAL 120 3.71 15 0.09 0.33 *+++ +++ ++++ +++ + peak 8178 HB3 LEU 58 - QG2 VAL 120 HB2 LEU 93 - QG2 VAL 120 HB3 LEU 101 - QG2 VAL 120 HG2 LYS 119 - QG2 VAL 120 Upper HD2 LYS 31 - H LYS 32 3.24 8 0.04 0.22 * +++ + ++ + peak 904 HD3 LYS 31 - H LYS 32 H LYS 32 - HB3 LYS 32 H LYS 32 - HD2 LYS 32 H LYS 32 - HD3 LYS 32 Upper H LYS 32 - H THR 33 4.31 18 0.05 0.11 +++++++ +++++++*+++ peak 128 H THR 33 - HD21 ASN 79 Upper H LYS 32 - HA THR 33 4.87 19 0.18 0.29 ++++* ++++++++++++++ peak 6612 H LYS 32 - HB THR 33 H LYS 32 - HA LEU 77 H LYS 32 - HB3 ASN 79 Upper H LYS 32 - H TYR 67 3.53 19 0.12 0.30 +++++++++++*+ ++++++ peak 1797 H TYR 67 - H GLU 75 H TYR 67 - HD21 ASN 79 H TYR 67 - H PHE 96 H GLU 56 - H VAL 120 H VAL 120 - H ALA 122 Upper HB2 LYS 32 - HA THR 33 4.71 6 0.06 0.29 ++ ++ + * peak 8753 HB2 LYS 32 - HB THR 33 Upper HB2 LYS 32 - HA SER 74 5.01 16 0.07 0.25 +++++*+ ++++++++ + peak 7302 HB2 PRO 37 - HA SER 74 HB3 ARG 57 - HA SER 74 HA SER 74 - HB2 GLU 75 HA SER 74 - HG2 GLU 75 Upper HG3 LYS 32 - H THR 33 4.53 16 0.05 0.12 + +++ +++* +++++ +++ peak 133 Upper HD2 LYS 32 - QD2 LEU 101 4.46 12 0.10 0.43 ++ + ++ +* + ++ ++ peak 8036 HD3 LYS 32 - QD2 LEU 101 QD2 LEU 101 - HD2 LYS 119 QD2 LEU 101 - HD3 LYS 119 HD2 LYS 119 - QG1 VAL 120 HD3 LYS 119 - QG1 VAL 120 Upper H THR 33 - H ILE 34 4.43 14 0.04 0.10 ++++* + + +++ + +++ peak 1446 Upper H THR 33 - QG1 VAL 66 4.07 7 0.04 0.17 + + ++ +* + peak 1584 H GLY 39 - QG1 VAL 66 H LEU 55 - QG1 VAL 66 QG1 VAL 66 - HD22 ASN 79 HB2 SER 29 - H LEU 41 HB3 SER 29 - H LEU 41 HA3 GLY 39 - H LEU 41 H LEU 41 - HA2 GLY 88 H LEU 41 - HA3 GLY 88 Upper H THR 33 - QG2 VAL 66 3.62 19 0.16 0.40 +++++++*++ +++++++++ peak 7903 H GLY 39 - QG2 VAL 66 H LEU 55 - QG2 VAL 66 QG2 VAL 66 - HD22 ASN 79 HA GLU 28 - QD1 LEU 111 HA PRO 37 - QD1 LEU 111 HA ILE 63 - QD1 LEU 111 HB3 SER 78 - QD1 LEU 111 HA ALA 98 - QD1 LEU 111 HA ASN 108 - QD1 LEU 111 QD1 LEU 111 - HB2 SER 113 QD1 LEU 111 - HA ILE 124 Upper H ILE 34 - QG2 ILE 34 3.71 20 0.25 0.34 +++++++++++++++*++++ peak 918 Upper H ILE 34 - HG12 ILE 34 3.73 18 0.13 0.24 +++*+ +++ ++++++++++ peak 919 Upper H ILE 34 - QD1 ILE 34 4.13 18 0.10 0.19 ++ ++++++ ++++*+++++ peak 921 Upper HA ILE 34 - QD1 ILE 34 3.77 16 0.05 0.15 ++ ++*+++ + ++++++ + peak 2593 Upper HB ILE 34 - H ARG 85 4.35 7 0.02 0.05 * + + + + + + peak 1195 H ARG 85 - HG3 ARG 85 Upper QG2 ILE 34 - HG13 ILE 34 3.11 19 0.07 0.09 ++++*++++ ++++++++++ peak 2618 Upper QG2 ILE 34 - HG3 PRO 37 3.67 15 0.07 0.16 ++ *+ +++ + ++++++ + peak 8108 QG2 ILE 34 - HB3 GLU 38 QG2 ILE 34 - HG3 PRO 60 QB ALA 43 - H ILE 124 HB3 LEU 59 - H ILE 124 HB3 LEU 93 - H ILE 124 HB2 LEU 111 - H ILE 124 QG2 THR 121 - H ILE 124 Upper QG2 ILE 34 - H GLU 38 3.50 10 0.03 0.09 + +*+ + + + +++ peak 6611 QG2 ILE 34 - H PHE 40 QG2 ILE 34 - H TYR 102 HB2 PRO 30 - H LYS 32 H LYS 32 - HG12 ILE 80 Upper HG12 ILE 34 - H LYS 46 4.53 20 0.14 0.31 ++++++++*+++++++++++ peak 195 QD2 LEU 45 - H LYS 46 H LYS 46 - QG1 VAL 50 H LYS 46 - QD2 LEU 77 Upper HG12 ILE 34 - QE TYR 102 3.22 8 0.02 0.11 * ++ + + + + + peak 6199 QD2 LEU 45 - QE TYR 102 QG1 VAL 50 - QE TYR 102 QD2 LEU 77 - QE TYR 102 HA ALA 98 - HB VAL 110 HA ASN 108 - HB VAL 110 HA ALA 98 - HB2 LEU 111 HA ASN 108 - HB2 LEU 111 Upper HB3 ASP 36 - HD2 PRO 37 4.91 15 0.04 0.09 +*+++++ +++ +++++ peak 6669 Upper HA PRO 37 - H LYS 65 3.56 7 0.02 0.09 * + ++ ++ + peak 6087 HA ILE 63 - H LYS 65 H LYS 65 - HA SER 78 H LYS 65 - HB3 SER 78 H LYS 65 - HB2 SER 113 H LYS 65 - HA ILE 124 HG2 LYS 32 - HA SER 74 HA SER 74 - HB2 LEU 77 Upper HB3 PRO 37 - H GLU 38 3.21 8 0.05 0.19 + ++* + ++ + peak 931 H GLU 38 - HG2 GLU 38 H GLU 38 - HG3 GLU 38 H GLU 38 - HG2 GLU 56 H GLU 38 - HB2 PRO 70 H GLU 38 - HG2 GLU 94 Upper HG3 PRO 37 - QG2 VAL 49 3.45 13 0.10 0.26 ++ +++++ ++*++ + peak 6909 HG3 PRO 37 - QD1 LEU 117 QG2 VAL 49 - HB3 ARG 53 HB3 ARG 53 - QD1 LEU 55 QD1 LEU 55 - HB2 GLU 56 HB2 GLU 56 - QD1 LEU 117 QD1 LEU 55 - HG3 PRO 60 QG2 VAL 49 - HB ILE 63 QD1 LEU 55 - HB ILE 63 QG2 VAL 49 - HG3 PRO 70 QD1 LEU 55 - HG3 PRO 70 HG3 PRO 70 - QD1 LEU 117 Upper HG3 PRO 37 - H ARG 57 3.44 8 0.03 0.17 ++ + ++ * + + peak 259 HB3 GLU 38 - H ARG 57 HB3 ARG 53 - H ARG 57 HB2 GLU 56 - H ARG 57 H ARG 57 - HG3 PRO 60 H ARG 57 - HB ILE 63 H ARG 57 - HB3 ARG 81 Upper HG3 PRO 37 - H LEU 59 4.39 20 0.43 0.55 +++++++++*++++++++++ peak 7074 HB2 GLU 56 - H LEU 59 H LEU 59 - HG3 PRO 60 H LEU 59 - HG3 PRO 70 Upper HG3 PRO 37 - H ARG 71 4.55 18 0.13 0.66 ++++*+++++++ ++++ ++ peak 331 HB3 ARG 53 - H ARG 71 HB2 GLU 56 - H ARG 71 HG3 PRO 60 - H ARG 71 HG3 PRO 70 - H ARG 71 H ARG 71 - HB3 ARG 81 Upper H GLU 38 - H THR 95 4.09 20 0.38 0.49 +++++++++++++*++++++ peak 465 H ARG 53 - H THR 95 H GLU 94 - H THR 95 Upper HA GLU 38 - H GLY 39 3.50 15 0.03 0.06 +++++++++ + +++* + peak 153 Upper HB3 GLU 38 - H LYS 65 3.89 19 0.11 0.24 + ++++++++*+++++++++ peak 303 HB ILE 63 - H LYS 65 HG2 GLU 64 - H LYS 65 H LYS 65 - HB3 ARG 81 H LYS 65 - HB2 LEU 101 H LYS 65 - HB2 LEU 114 Upper HB3 GLU 38 - HD21 ASN 79 4.20 16 0.11 0.26 +++ +++++ ++++++ *+ peak 7342 HB ILE 63 - HD21 ASN 79 HG3 PRO 70 - HD21 ASN 79 HD21 ASN 79 - HB2 GLN 105 QD2 LEU 77 - H ARG 81 Upper HB3 GLU 38 - HG LEU 111 4.04 8 0.02 0.16 + + + +*+ ++ peak 4697 HB3 GLU 38 - QD2 LEU 111 HB ILE 63 - HG LEU 111 HB ILE 63 - QD2 LEU 111 QD2 LEU 111 - HB2 LEU 114 HG13 ILE 63 - QE TYR 67 QE TYR 67 - HG2 GLU 75 Upper HG2 GLU 38 - H GLY 39 4.21 16 0.08 0.21 +++*+++ ++ +++++ ++ peak 5552 HG3 GLU 38 - H GLY 39 Upper HA2 GLY 39 - H GLN 42 3.97 10 0.05 0.18 + + +++ * +++ + peak 6151 H GLN 42 - HD2 PRO 70 H GLN 42 - HA GLU 75 H GLN 42 - HA LEU 111 H GLN 42 - HA VAL 115 HA LEU 84 - HB2 CYS 87 Upper H PHE 40 - QD PHE 40 3.99 19 0.13 0.21 +++++*++ +++++++++++ peak 941 H PHE 40 - QD PHE 83 Upper H PHE 40 - QD TYR 102 3.92 18 0.09 0.17 +++++*+++++++ +++++ peak 4737 H LEU 77 - QD TYR 102 H TYR 102 - QD TYR 102 Upper HA PHE 40 - QE PHE 40 4.64 17 0.09 0.21 ++++ +++*++++ + ++++ peak 2740 HA PHE 40 - H LYS 65 HA PHE 40 - QE PHE 96 HA PHE 40 - QD TYR 102 Upper QD PHE 40 - HZ PHE 40 3.34 20 0.46 0.46 +++++++++++++++*++++ peak 4570 QD PHE 40 - QD PHE 96 Upper QD PHE 40 - HB3 CYS 87 3.65 9 0.06 0.24 + +++ +++* + peak 7978 QD PHE 83 - HB3 CYS 87 HB3 CYS 87 - HE ARG 92 HB3 CYS 87 - H LEU 93 HB3 CYS 87 - HZ PHE 96 QG2 VAL 18 - QG2 VAL 115 HB2 LEU 77 - QG2 VAL 115 HB3 LEU 111 - QG2 VAL 115 Upper QD PHE 40 - H GLY 88 3.68 17 0.36 0.72 +++ +++++ +++++++*+ peak 7272 QD PHE 83 - H GLY 88 H GLY 88 - HE ARG 92 H GLY 88 - H LEU 93 H GLY 88 - HZ PHE 96 H GLY 39 - HG3 PRO 70 H LEU 55 - HG3 PRO 70 HG3 PRO 70 - HD22 ASN 79 HG3 PRO 70 - H GLN 105 Upper QD PHE 40 - QG2 THR 95 4.25 13 0.06 0.19 + +++++*+ ++ ++ + peak 7620 QD PHE 83 - QG2 THR 95 H LEU 93 - QG2 THR 95 QG2 THR 95 - HZ PHE 96 Upper QE PHE 40 - HG3 GLN 42 4.00 7 0.04 0.18 + + + + + + * peak 4738 HG3 GLN 42 - H LYS 65 HG3 GLN 42 - QD TYR 67 HG3 GLN 42 - HE ARG 81 HG3 GLN 42 - QD PHE 107 HA LEU 45 - QE TYR 102 HA GLU 69 - QE TYR 102 HA ASN 79 - QE TYR 102 HA ASN 99 - QE TYR 102 QE TYR 102 - HB THR 121 Upper QE PHE 40 - QD1 ILE 63 3.84 12 0.06 0.27 ++++ + ++ + ++* + peak 7081 QD1 ILE 63 - H LYS 65 QD1 ILE 63 - QD TYR 67 QD1 ILE 63 - HE ARG 81 QD1 ILE 63 - QD TYR 102 QD1 ILE 63 - QD PHE 107 H GLU 56 - H LEU 59 H LEU 59 - H LYS 119 H LEU 59 - H ALA 122 Upper QE PHE 40 - H TYR 102 4.12 7 0.02 0.07 ++ ++ * + + peak 1283 H TYR 102 - QD TYR 102 Upper QE PHE 40 - HG2 GLN 103 3.96 12 0.05 0.25 ++ ++ + ++ *+++ + peak 7761 H LYS 65 - HG2 GLN 103 QD TYR 102 - HG2 GLN 103 Upper QE PHE 40 - HE22 GLN 103 4.50 19 0.07 0.12 ++++++++*+++ +++++++ peak 7764 H LYS 65 - HE22 GLN 103 QE PHE 96 - HE22 GLN 103 QD TYR 102 - HE22 GLN 103 Upper H LEU 41 - HB2 LEU 41 3.46 19 0.08 0.12 + ++++++*+++++++++++ peak 944 H LEU 41 - HG LEU 45 H LEU 41 - HB2 LYS 46 H LEU 41 - HB ILE 124 Upper H LEU 41 - QD2 LEU 41 3.81 9 0.09 0.34 + *+ + + +++ + peak 2805 QD2 LEU 41 - H ARG 53 Upper H LEU 41 - QD2 LEU 41 3.73 8 0.07 0.25 + ++ + +++ * peak 947 H LEU 41 - HB2 GLN 42 H LEU 41 - QG1 VAL 49 Upper H LEU 41 - HD2 ARG 53 4.56 17 0.10 0.21 +* +++ ++++++++++++ peak 3161 H ARG 53 - HD2 ARG 53 Upper H LEU 41 - HD3 ARG 53 4.61 7 0.02 0.07 + + +++ * + peak 3169 H ARG 53 - HD3 ARG 53 Upper H LEU 41 - QD1 ILE 63 3.13 13 0.05 0.23 +* + + +++++ + +++ peak 4794 H ARG 53 - QD1 ILE 63 QD1 ILE 63 - H GLY 86 QD1 ILE 63 - H GLU 94 QG1 VAL 18 - QE PHE 107 QD1 ILE 63 - QE PHE 107 HG2 LYS 65 - QE PHE 107 HG3 LYS 65 - QE PHE 107 QD1 LEU 101 - QE PHE 107 QE PHE 107 - QG2 ILE 124 Upper HA LEU 41 - HA SER 44 3.27 13 0.04 0.12 + ++++ + ++++* ++ peak 7989 HA SER 44 - HA LYS 46 HA SER 44 - HA VAL 115 QD1 LEU 84 - QG2 THR 116 QD1 LEU 91 - QG2 THR 116 QD2 LEU 93 - QG2 THR 116 HG LEU 111 - QG2 THR 116 QD2 LEU 111 - QG2 THR 116 Upper HA LEU 41 - QE PHE 107 3.34 15 0.17 0.37 + +++ +++ ++*++ +++ peak 7067 HA ILE 80 - QE PHE 107 QE PHE 107 - HA LEU 111 QG1 VAL 18 - QD1 LEU 24 QD1 LEU 24 - QD2 LEU 58 Upper HB2 LEU 41 - HA LEU 93 4.18 20 0.14 0.21 ++++++++++*+++++++++ peak 7598 HB2 LEU 55 - HA LEU 93 HA LEU 93 - HB2 GLU 94 HA LEU 93 - HB3 GLU 94 HA LEU 93 - HG LEU 114 HA LEU 93 - HB ILE 124 Upper HB2 LEU 41 - H GLU 94 3.18 14 0.19 0.46 +++*+ ++ ++++ + + + peak 1239 HB3 ARG 53 - H GLU 94 HB2 LEU 55 - H GLU 94 HB3 PRO 68 - H GLU 94 H GLU 94 - HB2 GLU 94 H GLU 94 - HG LEU 114 Upper HB2 LEU 41 - QG2 VAL 115 4.26 20 0.13 0.22 ++++++*+++++++++++++ peak 8168 HB2 LYS 46 - QG2 VAL 115 HB2 LEU 55 - QG2 VAL 115 HB3 PRO 68 - QG2 VAL 115 HG LEU 114 - QG2 VAL 115 Upper HB3 LEU 41 - H ALA 43 3.72 14 0.25 0.47 +++++ + + + ++++ * + peak 180 HG3 GLN 42 - H ALA 43 Upper HG LEU 41 - HB3 ASN 108 4.62 10 0.04 0.14 +++ + *+ + + ++ peak 7790 HG3 ARG 53 - HB3 ASN 106 HB3 ASN 106 - HB3 LYS 109 HB3 ASN 108 - HB3 LYS 109 Upper QD1 LEU 41 - QB ALA 43 4.36 9 0.08 0.30 ++ + ++* ++ + peak 6806 QD2 LEU 41 - QB ALA 43 HB2 GLN 42 - QB ALA 43 QB ALA 43 - QG2 VAL 115 Upper QD1 LEU 41 - H SER 44 3.72 8 0.03 0.11 ++ ++ + ++ * peak 6699 QD2 LEU 41 - H SER 44 HB2 GLN 42 - H SER 44 H SER 44 - QG2 VAL 49 H SER 44 - QG2 VAL 115 HA PRO 37 - QD PHE 40 HA PRO 37 - QD PHE 83 HA PRO 37 - H LEU 93 Upper QD1 LEU 41 - H SER 44 3.83 6 0.01 0.07 + + * + + + peak 8437 QD2 LEU 41 - H SER 44 HB2 GLN 42 - H SER 44 H SER 44 - QG2 VAL 49 H SER 44 - QG2 VAL 115 H GLU 64 - HG3 GLU 82 Upper QD2 LEU 41 - H GLN 42 4.17 12 0.18 0.39 ++++ + + + +++*+ peak 5565 QD2 LEU 41 - H SER 112 Upper QD2 LEU 41 - H VAL 49 3.30 19 0.38 0.45 + ++++++++++++++++*+ peak 991 H VAL 49 - QG1 VAL 49 H VAL 49 - HG13 ILE 80 H VAL 49 - QD1 ILE 124 H VAL 49 - QD2 LEU 126 Upper QD2 LEU 41 - HD2 ARG 53 3.90 11 0.04 0.16 ++ ++ ++ ++ *++ peak 6968 QG1 VAL 49 - HD2 ARG 53 HD2 ARG 53 - QD2 LEU 55 HG13 ILE 80 - HD2 ARG 81 HD2 ARG 53 - QD2 LEU 126 Upper QD2 LEU 41 - H LEU 101 3.76 10 0.08 0.63 ++ + *+++ + ++ peak 7798 QD2 LEU 41 - QE PHE 107 QD2 LEU 41 - HD22 ASN 108 HB2 LEU 58 - HD22 ASN 106 HD22 ASN 106 - HB3 LYS 109 Upper H GLN 42 - HG2 GLN 42 4.21 13 0.10 0.36 ++ ++* + ++++ +++ peak 2843 H GLN 42 - HB3 LYS 46 Upper H GLN 42 - HG2 GLN 42 3.86 15 0.11 0.27 ++ +++ +++*+++ +++ peak 953 H GLN 42 - HB2 LEU 45 H GLN 42 - HB3 LYS 46 Upper H GLN 42 - HG3 GLN 42 4.16 14 0.10 0.40 ++ + + +++++++ +*+ peak 2851 HG3 GLN 42 - H SER 112 Upper H GLN 42 - QB ALA 43 4.20 20 0.22 0.36 +++*++++++++++++++++ peak 6817 QB ALA 43 - H SER 78 QB ALA 43 - H SER 112 Upper HG2 GLN 42 - H ALA 43 4.24 15 0.16 0.33 ++ *+++ + ++++ + +++ peak 179 H ALA 43 - HB3 LYS 46 H ALA 43 - HD2 LYS 109 Upper HG2 GLN 42 - QE TYR 67 4.52 12 0.07 0.21 ++ ++ + +++ ++* + peak 4698 HB VAL 66 - QE TYR 67 QE TYR 67 - HB2 GLU 75 QE TYR 67 - HD2 LYS 109 QE TYR 67 - HB2 LEU 117 QE TYR 67 - HG LEU 117 Upper H ALA 43 - HB2 LYS 109 3.55 20 0.04 0.06 ++++++++++++++*+++++ peak 4890 H GLY 104 - HB2 LYS 109 H LYS 109 - HB2 LYS 109 Upper QB ALA 43 - H LYS 46 3.61 18 0.09 0.19 ++ +++++++++++*++++ peak 976 H LYS 46 - HG2 LYS 46 H LYS 46 - HG3 LYS 46 Upper H LEU 45 - QG2 ILE 124 3.53 20 0.24 0.25 +++++++++++++*++++++ peak 5348 H ILE 124 - QG2 ILE 124 Upper HB3 LEU 45 - H LYS 46 3.90 10 0.06 0.21 ++ ++ + *+ ++ + peak 977 H LYS 46 - HD2 LYS 46 Upper HB3 LEU 45 - HA LYS 46 4.12 10 0.04 0.16 ++ ++ + +++ +* peak 2925 HA LYS 46 - HD2 LYS 46 HA LYS 46 - HD2 LYS 65 HA LYS 46 - HD3 LYS 65 HA LYS 46 - HG2 LYS 119 Upper HB3 LEU 45 - H ASP 47 4.86 9 0.06 0.26 + +*++ + ++ + peak 203 HD2 LYS 46 - H ASP 47 H ASP 47 - HG2 LYS 119 Upper HB3 LEU 45 - HB3 ASN 99 5.15 16 0.08 0.19 ++ +++++ + +*+++++ + peak 7679 HD2 LYS 65 - HB3 ASN 99 HD3 LYS 65 - HB3 ASN 99 HB3 GLU 75 - HB3 ASN 99 QB ALA 98 - HB3 ASN 99 HB3 ASN 99 - HB3 LEU 101 Upper HB3 LEU 45 - H ILE 124 3.84 18 0.12 0.23 ++++++*++++++ +++ ++ peak 8073 HD2 LYS 46 - H ILE 124 HG LEU 59 - H ILE 124 HD2 LYS 65 - H ILE 124 HD3 LYS 65 - H ILE 124 QB ALA 98 - H ILE 124 HB3 LEU 101 - H ILE 124 QB ALA 122 - H ILE 124 HH2 TRP 20 - QG2 THR 121 H VAL 110 - QG2 THR 121 Upper HB3 LEU 45 - H ILE 124 3.66 11 0.04 0.17 + +* ++++ ++++ peak 4777 HD2 LYS 46 - H ILE 124 HG LEU 59 - H ILE 124 HD2 LYS 65 - H ILE 124 HD3 LYS 65 - H ILE 124 QB ALA 98 - H ILE 124 HB3 LEU 101 - H ILE 124 QB ALA 122 - H ILE 124 QG2 VAL 18 - HZ PHE 107 HB3 LEU 24 - HZ PHE 107 HB2 LEU 77 - HZ PHE 107 HZ PHE 107 - HB3 LEU 111 Upper H LYS 46 - HD3 LYS 46 4.47 20 0.13 0.27 ++++*+++++++++++++++ peak 978 H LYS 46 - HB2 LYS 65 H LYS 46 - HB3 LYS 65 Upper HB3 LYS 46 - QD TYR 102 4.01 16 0.06 0.17 +++++++ ++++*+++ + peak 7936 HB2 GLU 75 - QD TYR 102 QD TYR 102 - HD2 LYS 109 QD TYR 102 - HD3 LYS 109 HG2 LYS 65 - HB3 SER 113 HG3 LYS 65 - HB3 SER 113 QG2 THR 95 - HB3 SER 113 QD1 LEU 101 - HB3 SER 113 HB3 SER 113 - QG2 ILE 124 Upper HB3 LYS 46 - HA LYS 109 3.80 9 0.10 0.33 * ++ ++ + ++ + peak 4887 HA LYS 109 - HD2 LYS 109 HA LYS 109 - HD3 LYS 109 Upper HG2 LYS 46 - H LYS 119 3.86 14 0.09 0.22 + *++ ++++++++ ++ peak 1386 HG3 LYS 46 - H LYS 119 H LYS 119 - HG3 LYS 119 Upper HG2 LYS 46 - H VAL 120 4.72 17 0.10 0.30 + ++++ +++*+++++ +++ peak 614 HG3 LYS 46 - H VAL 120 HB3 LEU 59 - H VAL 120 HB3 LEU 84 - H VAL 120 HG3 LYS 119 - H VAL 120 Upper HD2 LYS 46 - H LYS 65 4.35 17 0.11 0.34 +++ +++++++++ ++*++ peak 1086 H LYS 65 - HD2 LYS 65 H LYS 65 - HD3 LYS 65 Upper HD3 LYS 46 - QE TYR 102 4.13 12 0.06 0.18 + + +++ ++*+ +++ peak 7154 HG2 ARG 57 - QE TYR 102 HB2 LYS 65 - QE TYR 102 HB3 LYS 65 - QE TYR 102 QE TYR 102 - HG3 LYS 109 QE TYR 102 - HG12 ILE 124 HA LEU 21 - QD1 ILE 63 HA VAL 50 - QD1 ILE 63 QD1 ILE 63 - HA2 GLY 86 Upper HE2 LYS 46 - HA GLN 103 3.66 12 0.03 0.08 ++ *++ +++ +++ + peak 4720 HA GLN 103 - HG2 GLN 103 Upper HE2 LYS 46 - H ILE 124 3.76 18 0.07 0.11 +++++*+ +++ ++++++++ peak 636 HB3 ASP 123 - H ILE 124 Upper H GLY 48 - HG CYS 52 4.33 6 0.03 0.20 * + + + + + peak 6440 H GLY 48 - HB2 TYR 67 H GLY 48 - HB3 TYR 67 H GLY 48 - HB2 ASN 79 H GLY 48 - HE2 LYS 119 H GLY 48 - HE3 LYS 119 HA VAL 18 - QD1 ILE 22 QD1 ILE 22 - HD3 PRO 70 QD1 ILE 22 - HA LEU 84 Upper HA2 GLY 48 - HG3 GLU 69 5.40 12 0.05 0.11 *++++++ +++ + + peak 7249 HG3 GLU 69 - HD2 PRO 70 HG3 GLU 69 - HA VAL 115 Upper HA2 GLY 48 - HD21 ASN 79 3.84 9 0.04 0.15 ++++ +* + + + peak 8081 HD2 PRO 70 - HD21 ASN 79 HA GLU 75 - HD21 ASN 79 HD2 LYS 31 - HB THR 121 HD3 LYS 31 - HB THR 121 HD2 LYS 32 - HB THR 121 HD3 LYS 32 - HB THR 121 HB2 LEU 59 - HB THR 121 Upper HB VAL 49 - H ASN 79 5.18 6 0.02 0.14 +++ + + * peak 7369 H ASN 79 - HG12 ILE 80 Upper QG1 VAL 49 - QG2 VAL 50 3.47 10 0.03 0.19 ++ + ++ + ++*+ peak 8493 QG1 VAL 49 - HB3 LEU 54 QG1 VAL 49 - QD2 LEU 117 Upper H LEU 51 - H GLU 94 4.23 20 0.24 0.35 +++++++++++++*++++++ peak 1497 H ILE 80 - H GLU 94 H GLU 94 - H THR 95 Upper HG LEU 51 - H LEU 101 4.22 19 0.15 0.29 + +++*++++++++++++++ peak 6919 HG3 ARG 85 - H LEU 101 HG LEU 51 - QE PHE 107 HG3 ARG 85 - QE PHE 107 HG3 ARG 85 - HD22 ASN 108 H GLU 28 - QG2 VAL 50 H LEU 41 - QG2 VAL 50 QG2 VAL 50 - H ARG 53 QG2 VAL 50 - H LEU 77 QG2 VAL 50 - H GLU 94 Upper QD2 LEU 51 - HB2 CYS 87 3.96 19 0.14 0.25 +++++++*+++ ++++++++ peak 1602 QD2 LEU 84 - HB2 CYS 87 HB2 CYS 87 - QG1 VAL 110 H GLN 42 - H SER 44 H SER 44 - H SER 78 H SER 44 - H SER 112 Upper H CYS 52 - HG CYS 52 3.33 7 0.03 0.16 ++* + + + + peak 6946 H CYS 52 - HB3 PHE 107 Upper H CYS 52 - QD1 LEU 54 3.79 20 0.13 0.30 +++++++++*++++++++++ peak 8081 QD1 LEU 54 - H ARG 57 QD1 LEU 54 - H CYS 76 QD1 LEU 54 - H SER 113 QD1 LEU 54 - H LYS 119 HD2 LYS 31 - HB THR 121 HD3 LYS 31 - HB THR 121 HD2 LYS 32 - HB THR 121 HD3 LYS 32 - HB THR 121 HB2 LEU 59 - HB THR 121 Upper H CYS 52 - QG2 ILE 63 3.97 10 0.06 0.19 * +++ ++ + ++ + peak 8384 H ARG 57 - QG2 ILE 63 QG2 ILE 63 - H SER 113 QG2 ILE 63 - H LYS 119 H ASP 97 - HE2 LYS 109 H ASP 97 - HE3 LYS 109 H ASP 97 - HA VAL 110 Upper HA CYS 52 - QG2 ILE 63 3.70 6 0.01 0.09 + + + * + + peak 8518 HA CYS 52 - QG2 VAL 66 QE PHE 40 - QD2 LEU 84 H LYS 65 - QD2 LEU 84 HE ARG 81 - QD2 LEU 84 QD2 LEU 84 - QD PHE 107 Upper HB2 CYS 52 - H GLY 88 3.57 10 0.14 0.36 + ++ *++ ++++ peak 432 HB3 CYS 87 - H GLY 88 Upper H ARG 53 - HD2 ARG 53 4.65 8 0.03 0.12 * + ++ ++++ peak 1015 H ARG 53 - HD3 ARG 71 Upper H ARG 53 - H LEU 93 4.05 20 0.36 0.45 ++++++*+++++++++++++ peak 1496 H GLY 86 - H LEU 93 H LEU 93 - H GLU 94 Upper HA ARG 53 - H LEU 55 4.23 19 0.13 0.26 ++++++++++++++ +*+++ peak 6939 H LEU 55 - HD2 PRO 68 H LEU 55 - HB3 ASN 79 H LEU 55 - HB2 SER 112 H LEU 55 - HB3 SER 112 QE PHE 40 - QD2 LEU 51 QD2 LEU 51 - H LYS 65 QD2 LEU 51 - QD TYR 67 QD2 LEU 51 - QD TYR 102 QD2 LEU 51 - QD PHE 107 Upper H LEU 54 - QD1 LEU 54 4.18 10 0.02 0.08 + + +* + +++++ peak 3205 QD1 LEU 54 - H PHE 107 Upper H LEU 54 - QD2 LEU 54 4.02 20 0.11 0.16 +++*++++++++++++++++ peak 1023 H LEU 54 - QG1 VAL 66 Upper QD2 LEU 54 - H LEU 55 4.08 6 0.02 0.08 ++ ++ *+ peak 249 H LEU 55 - QG1 VAL 66 H LEU 55 - QD1 LEU 77 H LEU 55 - QD1 LEU 114 Upper QD2 LEU 54 - HG LEU 55 4.08 18 0.12 0.30 +++++++++*+++++++ + peak 7233 QD2 LEU 54 - HG3 PRO 68 HG LEU 55 - QG1 VAL 66 QG1 VAL 66 - HG3 PRO 68 HG3 PRO 68 - HG3 GLU 75 HG LEU 55 - QD1 LEU 77 HG3 PRO 68 - QD1 LEU 77 Upper QD2 LEU 54 - QE TYR 67 4.19 6 0.03 0.25 + ++ + *+ peak 4701 QG1 VAL 66 - QE TYR 67 QE TYR 67 - HG3 GLU 75 QE TYR 67 - QD1 LEU 77 Upper QD2 LEU 54 - HZ PHE 96 3.71 17 0.08 0.23 +++*+++ +++++++ + ++ peak 7240 QD1 LEU 84 - HZ PHE 96 QD1 LEU 91 - HZ PHE 96 HZ PHE 96 - HG LEU 111 HZ PHE 96 - QD2 LEU 111 HZ PHE 96 - QD1 LEU 114 QG2 ILE 22 - H GLU 69 QD2 LEU 27 - H GLU 69 QD1 LEU 41 - H GLU 69 QG2 VAL 49 - H GLU 69 QD1 LEU 55 - H GLU 69 QD1 ILE 63 - H GLU 69 H GLU 69 - QG2 VAL 115 H GLU 69 - QD1 LEU 117 Upper HA LEU 55 - QD2 LEU 55 3.94 10 0.03 0.08 + + + + * + +++ + peak 3225 Upper HB3 LEU 55 - H SER 90 4.50 16 0.19 0.40 +++*++++ +++ ++++ + peak 7570 HB VAL 66 - H SER 90 H SER 90 - HB2 LEU 91 Upper HG LEU 55 - H LEU 93 3.82 20 0.22 0.48 +++++++++++++*++++++ peak 452 HB2 ARG 92 - H LEU 93 Upper QD1 LEU 55 - H GLU 56 4.37 15 0.11 0.25 ++ +* + +++ +++++ ++ peak 7018 QD1 LEU 55 - H ARG 57 QD1 LEU 55 - H LYS 119 Upper QD1 LEU 55 - HB2 GLU 56 4.61 13 0.05 0.14 ++ ++ +++++* ++ + peak 7027 HB3 ARG 53 - QD1 ILE 63 HB2 GLU 56 - QD1 ILE 63 QD1 ILE 63 - HB3 ARG 81 HB2 GLU 56 - QD1 LEU 117 Upper QD2 LEU 55 - HA SER 112 4.16 8 0.03 0.13 ++ ++ + +* + peak 7918 QD1 LEU 111 - HA SER 112 HA SER 112 - QG1 VAL 115 Upper H GLU 56 - HB3 GLU 56 3.46 6 0.02 0.08 + *+ + + + peak 1034 H GLU 56 - HB2 PRO 60 Upper HA GLU 56 - HG2 ARG 81 4.45 15 0.09 0.27 ++++++++ ++++ + * + peak 7295 HA GLU 56 - HG3 ARG 81 HA ILE 63 - HG2 ARG 81 HA ILE 63 - HG3 ARG 81 HG3 ARG 81 - HA PHE 83 HB2 SER 74 - H CYS 76 HB3 SER 74 - H CYS 76 HB2 SER 74 - H SER 113 HB3 SER 74 - H SER 113 Upper HB2 GLU 56 - QG2 ILE 63 4.07 6 0.02 0.10 + + * ++ + peak 6572 QG2 ILE 63 - HB3 ARG 81 HB3 ARG 81 - QD1 LEU 84 HA SER 29 - HB2 LYS 32 HA SER 29 - HB2 PRO 37 HA SER 29 - HB2 LEU 117 Upper HB3 GLU 56 - H ARG 57 3.16 12 0.05 0.19 ++ + + +++ + + ++* peak 1040 H ARG 57 - HB3 ARG 57 H ARG 57 - HG13 ILE 63 Upper HG3 GLU 56 - H VAL 120 3.29 20 0.32 0.33 +++++*++++++++++++++ peak 1393 HB3 PRO 60 - H VAL 120 HG2 GLN 105 - H VAL 120 HG3 GLN 105 - H VAL 120 H VAL 120 - HB VAL 120 Upper H ARG 57 - HG2 ARG 57 4.29 6 0.05 0.23 ++ + + + * peak 1041 H ARG 57 - HG12 ILE 63 H ARG 57 - HD2 LYS 119 Upper HA ARG 57 - HG3 ARG 57 3.48 12 0.11 0.26 * +++ ++ +++ +++ peak 3296 Upper HB2 ARG 57 - H LEU 101 4.03 10 0.04 0.17 ++*++ + + ++ + peak 7081 HB3 GLU 38 - QE PHE 107 HB2 ARG 57 - QE PHE 107 H GLU 56 - H LEU 59 H LEU 59 - H LYS 119 H LEU 59 - H ALA 122 Upper HG2 ARG 57 - H LEU 58 4.34 9 0.04 0.14 + *++ + ++ ++ peak 267 H LEU 58 - HG12 ILE 63 H LEU 58 - HG2 ARG 81 H LEU 58 - HG3 ARG 81 H LEU 58 - HD2 LYS 119 H LEU 58 - HD3 LYS 119 H LEU 58 - HB2 LEU 126 H LEU 58 - HB3 LEU 126 H LEU 58 - HG LEU 126 Upper HA LEU 58 - QG2 ILE 63 3.87 12 0.03 0.12 ++ ++++ + + *+ + + peak 7145 QG2 ILE 63 - HA GLU 64 QG2 ILE 63 - HA ALA 89 QG2 ILE 63 - HA GLU 94 Upper HB2 LEU 58 - H LEU 59 4.25 12 0.04 0.08 + +++ +++ +++ *+ peak 5646 HB2 LEU 58 - H LEU 117 HB2 LEU 58 - H VAL 120 Upper HB3 LEU 58 - H LEU 91 3.37 7 0.08 0.29 +++ *+ + + peak 1219 H LEU 91 - HG LEU 91 H LEU 91 - HG2 ARG 92 H LEU 91 - HG3 ARG 92 H LEU 91 - HB2 LEU 93 H LEU 91 - HG LEU 93 H LEU 91 - HB3 LEU 114 Upper HG LEU 58 - H LYS 109 3.34 20 0.25 0.28 ++++++++++++++*+++++ peak 1324 HB2 ARG 85 - H LYS 109 HB3 ARG 85 - H LYS 109 H LYS 109 - HB2 LYS 109 H LYS 109 - HB3 LYS 119 Upper HG LEU 58 - H VAL 110 4.01 12 0.03 0.08 + +++ ++ + + ++*+ peak 552 HB2 ARG 85 - H VAL 110 HB3 ARG 85 - H VAL 110 HB2 LYS 109 - H VAL 110 H VAL 110 - HB3 LYS 119 Upper QD1 LEU 58 - HG LEU 93 3.70 9 0.04 0.12 ++ + ++ ++* + peak 7958 QD2 LEU 58 - HG LEU 93 HG LEU 91 - QD1 LEU 101 HG LEU 91 - QG1 VAL 120 HG LEU 93 - QG1 VAL 120 HB2 PRO 68 - QD2 LEU 114 HB2 PRO 70 - QD2 LEU 114 HG2 GLU 94 - QD2 LEU 114 QD2 LEU 114 - HB3 LEU 117 Upper QD1 LEU 58 - HE2 LYS 119 4.33 14 0.06 0.23 ++ + +++ +*+ +++ ++ peak 8039 QD1 LEU 58 - HE3 LYS 119 QD2 LEU 101 - HE2 LYS 119 QD2 LEU 101 - HE3 LYS 119 HE2 LYS 119 - QG1 VAL 120 HE3 LYS 119 - QG1 VAL 120 Upper QD2 LEU 58 - H GLU 94 4.65 13 0.06 0.17 ++*+++ + ++ +++ + peak 7614 HG2 LYS 65 - H GLU 94 HG3 LYS 65 - H GLU 94 H GLU 94 - QG2 THR 95 H GLU 94 - QD1 LEU 101 H GLU 94 - QG2 ILE 124 Upper QD2 LEU 58 - H THR 95 3.44 7 0.03 0.15 +*+ + + + + peak 1246 H THR 95 - QG2 THR 95 H THR 95 - QD1 LEU 101 Upper H LEU 59 - HB3 LEU 59 3.68 7 0.03 0.13 + * ++++ + peak 1055 Upper H LEU 59 - QD1 LEU 59 3.99 6 0.03 0.18 + + * + + + peak 3417 QD1 LEU 59 - H LEU 117 QD1 LEU 59 - H VAL 120 Upper H LEU 59 - QD2 LEU 59 3.73 15 0.09 0.26 +++++ ++ ++*+ ++++ peak 1058 H LEU 59 - QD1 LEU 117 H LEU 59 - QD2 LEU 126 Upper H LEU 59 - QD2 LEU 91 4.34 20 0.29 0.53 ++++++++*+++++++++++ peak 6836 QD2 LEU 91 - H LEU 117 QD2 LEU 91 - H VAL 120 HA SER 44 - HA VAL 49 Upper H LEU 59 - HG3 LYS 119 4.76 7 0.03 0.19 + + ++ + *+ peak 5918 H LEU 117 - HG3 LYS 119 HG2 LYS 46 - H VAL 120 HG3 LYS 119 - H VAL 120 Upper HB3 LEU 59 - QG2 ILE 124 3.68 18 0.16 0.34 ++++ +*++++++ ++++++ peak 6446 HG LEU 59 - QG2 ILE 124 HB3 LEU 93 - QG2 ILE 124 HB2 LEU 111 - QG2 ILE 124 QG2 THR 121 - QG2 ILE 124 H THR 23 - H GLY 25 H THR 23 - H LEU 45 H THR 23 - H ASN 79 H THR 23 - HD21 ASN 99 H THR 23 - HD21 ASN 106 Upper QD1 LEU 59 - H LYS 119 3.54 12 0.09 0.27 +++ + +++ *+++ + peak 605 QD2 LEU 91 - H LYS 119 QD1 LEU 93 - H LYS 119 QG1 VAL 115 - H LYS 119 HB2 ASN 118 - H LYS 119 Upper HB3 PRO 60 - HA THR 62 3.69 12 0.08 0.32 + ++++ +*+++ + + peak 6426 HA THR 62 - HB VAL 120 HA ARG 81 - HB VAL 120 HA PHE 107 - HB VAL 120 HB3 PRO 60 - HA LEU 117 HA LEU 117 - HB VAL 120 H VAL 18 - QG2 ILE 22 QG2 ILE 22 - H SER 29 Upper HG3 PRO 60 - H THR 62 4.24 10 0.03 0.08 +++ + * +++ + + peak 7098 H THR 62 - HB ILE 63 H THR 62 - HB3 ARG 81 Upper HA2 GLY 61 - QG2 THR 62 3.86 9 0.03 0.11 +*+ ++ + + ++ peak 7111 QG2 THR 62 - HA2 GLY 88 QG2 THR 62 - HB2 SER 90 Upper H THR 62 - QG2 THR 62 3.63 20 0.17 0.24 +++++++++++*++++++++ peak 1065 H THR 62 - QD2 LEU 117 H THR 62 - QG2 VAL 120 Upper H THR 62 - HA ILE 124 3.03 20 0.42 0.43 +++++++++++++*++++++ peak 5935 H SER 74 - HA ILE 124 H CYS 87 - HA ILE 124 HA ILE 124 - H GLY 125 Upper H THR 62 - QG2 ILE 124 3.75 17 0.03 0.05 ++++++*++++ +++ +++ peak 5937 H SER 74 - QG2 ILE 124 H CYS 87 - QG2 ILE 124 QG2 ILE 124 - H GLY 125 Upper QG2 THR 62 - QD2 LEU 93 3.36 6 0.03 0.12 + *+ ++ + peak 6241 QD2 LEU 93 - QD2 LEU 117 HG LEU 111 - QD2 LEU 117 QD2 LEU 93 - QG2 VAL 120 HG LEU 111 - QG2 VAL 120 QD2 LEU 111 - QG2 VAL 120 H LEU 58 - HA LEU 114 H SER 90 - HA LEU 114 H LEU 91 - HA LEU 114 HE21 GLN 103 - HA LEU 114 HA LEU 114 - H ASN 118 HA LEU 114 - H LEU 126 Upper QG2 THR 62 - QD2 LEU 93 3.36 6 0.03 0.21 + + ++ + * peak 6427 QD2 LEU 93 - QD2 LEU 117 HG LEU 111 - QD2 LEU 117 QD2 LEU 93 - QG2 VAL 120 HG LEU 111 - QG2 VAL 120 QD2 LEU 111 - QG2 VAL 120 QG2 ILE 22 - H GLY 25 QG2 ILE 22 - H ASN 79 QG2 ILE 22 - H PHE 83 QG2 ILE 22 - HD21 ASN 99 QG2 ILE 22 - HD21 ASN 106 Upper H ILE 63 - QG2 ILE 63 3.66 20 0.10 0.11 +++++++++++*++++++++ peak 1069 H ILE 63 - HG LEU 111 Upper HA ILE 63 - HB2 GLU 64 4.25 14 0.12 0.21 + + +++++++ + +++* peak 8684 HA ILE 63 - HB3 GLU 64 HA ILE 63 - HB2 ARG 81 Upper QG2 ILE 63 - H VAL 66 3.38 14 0.10 0.24 + ++ ++++ ++++ + +* peak 1093 H VAL 66 - QG2 VAL 66 H VAL 66 - QD1 LEU 91 H VAL 66 - QD2 LEU 93 Upper QD1 ILE 63 - HA VAL 66 4.76 6 0.02 0.08 * ++ + + + peak 7173 HG2 LYS 65 - HA VAL 66 HG3 LYS 65 - HA VAL 66 Upper QD1 ILE 63 - QD TYR 67 4.30 7 0.03 0.16 ++ +*+ + + peak 6715 HG2 LYS 65 - QD TYR 67 HG3 LYS 65 - QD TYR 67 QD TYR 67 - QD1 LEU 101 QD1 LEU 27 - HB2 ARG 85 QD1 LEU 27 - HB3 ARG 85 HB2 GLU 38 - QD1 LEU 41 QD1 LEU 41 - HB2 ARG 85 QD1 LEU 41 - HB3 ARG 85 HB2 GLU 38 - QD1 LEU 55 HB2 GLU 38 - QD1 ILE 63 QD1 ILE 63 - HB2 ARG 85 QD1 ILE 63 - HB3 ARG 85 Upper QD1 ILE 63 - H GLY 125 3.74 20 0.04 0.06 ++++++*+++++++++++++ peak 640 HG2 LYS 65 - H GLY 125 HG3 LYS 65 - H GLY 125 H SER 74 - QG2 ILE 124 QG2 ILE 124 - H GLY 125 Upper HA GLU 64 - HG3 GLU 64 3.39 9 0.04 0.26 + + + ++++ * + peak 3545 HA GLU 64 - HG2 GLU 94 Upper HA GLU 64 - H LYS 65 3.42 12 0.04 0.14 + +++ + +++++*+ peak 300 Upper H LYS 65 - HG2 LYS 65 3.69 15 0.21 0.66 ++++ * ++ + ++++++ + peak 1084 H LYS 65 - HG3 LYS 65 Upper H LYS 65 - H VAL 66 3.93 20 0.35 0.52 ++++++++++++++++*+++ peak 1472 H LYS 65 - H ALA 89 H LYS 65 - H ARG 92 H LYS 65 - H LEU 114 Upper HA LYS 65 - QG1 VAL 66 4.14 20 0.49 0.64 ++++++++++++++++++*+ peak 7193 QG1 VAL 66 - HB2 SER 78 QG1 VAL 66 - HA GLU 94 QG1 VAL 66 - HB3 SER 113 QG1 VAL 66 - HA LEU 114 Upper HA LYS 65 - QG1 VAL 66 4.77 10 0.07 0.36 ++ ++ +* ++ + + peak 7167 HA LYS 65 - HG3 GLU 75 HA LYS 65 - QD1 LEU 77 Upper HA LYS 65 - QG2 VAL 66 4.18 20 0.65 1.01 +++++++++++++++*++++ peak 7194 QG2 VAL 66 - HB3 SER 113 QG2 VAL 66 - HA LEU 114 Upper HA LYS 65 - HG2 GLN 103 3.65 15 0.08 0.14 ++ +++++ ++* ++++ + peak 4741 HA GLN 103 - HG2 GLN 103 Upper HA LYS 65 - H SER 113 3.15 6 0.03 0.26 + + ++ + * peak 1351 H CYS 76 - HB2 SER 78 HB2 SER 78 - H SER 113 H CYS 76 - HB3 SER 113 H SER 113 - HB3 SER 113 H CYS 76 - HA LEU 114 H SER 113 - HA LEU 114 Upper HG2 LYS 65 - H VAL 66 3.52 12 0.10 0.30 + + ++++ +* ++++ peak 310 HG3 LYS 65 - H VAL 66 H VAL 66 - QD1 LEU 101 Upper HG2 LYS 65 - H LEU 101 3.95 20 0.25 0.34 +++++*++++++++++++++ peak 1276 HG3 LYS 65 - H LEU 101 H LEU 101 - QD1 LEU 101 Upper HG2 LYS 65 - H ILE 124 3.45 20 0.32 0.33 +++++++++++++*++++++ peak 1412 HG3 LYS 65 - H ILE 124 H ILE 124 - QG2 ILE 124 Upper HD2 LYS 65 - H GLY 88 4.07 20 0.15 0.32 +++++++++++++*++++++ peak 7550 HD3 LYS 65 - H GLY 88 H GLY 88 - QB ALA 89 H GLY 88 - HB3 LEU 91 Upper H VAL 66 - QG2 VAL 66 3.59 20 0.27 0.41 +++++++++++*++++++++ peak 3675 QG2 VAL 66 - H ARG 92 QG2 VAL 66 - H LEU 114 Upper HA VAL 66 - HD2 PRO 68 3.24 6 0.02 0.10 ++ *+ + + peak 7960 HA VAL 66 - HD3 PRO 68 QG2 THR 62 - QD2 LEU 114 QD2 LEU 114 - QD2 LEU 117 QD2 LEU 114 - QG2 VAL 120 Upper HA VAL 66 - H LEU 91 4.47 20 0.21 0.32 ++++++++++++++++*+++ peak 7583 H LEU 91 - HA ARG 92 Upper QG2 VAL 66 - HB2 PRO 68 4.31 12 0.07 0.22 ++++* ++ ++ +++ peak 7360 QG2 VAL 66 - HB3 LEU 117 HH2 TRP 20 - H SER 78 QE TYR 67 - H SER 78 H SER 78 - H VAL 110 Upper QG2 VAL 66 - HD2 PRO 68 3.75 16 0.13 0.38 +++++*++ + +++++++ peak 7086 QG2 VAL 66 - HD3 PRO 68 HD2 PRO 30 - QD2 LEU 59 HD2 PRO 30 - QD1 LEU 117 HA LEU 54 - QD1 LEU 117 QD2 LEU 59 - HA CYS 87 Upper HA TYR 67 - HB2 PRO 68 4.86 20 0.15 0.25 +++*++++++++++++++++ peak 8317 HB2 PRO 68 - HA PHE 96 Upper QE TYR 67 - QG1 VAL 110 3.69 20 0.07 0.10 ++++*+++++++++++++++ peak 4980 H VAL 110 - QG1 VAL 110 Upper HA PRO 68 - H GLU 69 3.54 14 0.02 0.03 +*+ + + ++++ +++++ peak 320 Upper H GLU 69 - HB2 GLU 69 3.19 20 0.42 0.49 ++++++++++++++++++*+ peak 1102 H GLU 69 - HB3 GLN 105 Upper HB3 GLU 69 - HD3 PRO 70 4.64 13 0.13 0.22 *++++++ +++ +++ peak 8325 Upper HG2 PRO 70 - HB2 ASN 79 3.65 18 0.11 0.25 +++++++++ + *+++++++ peak 6306 HB2 ASN 79 - HB2 GLU 82 HB2 ASN 79 - HB3 GLU 82 QB ALA 14 - QG2 THR 17 QB ALA 14 - HG2 LYS 46 QB ALA 14 - HG3 LYS 46 QB ALA 14 - HB3 LEU 84 QB ALA 14 - HG3 LYS 119 Upper HG3 PRO 70 - H SER 72 3.88 7 0.03 0.20 + +++ * ++ peak 4641 HG3 PRO 70 - H GLU 75 HG3 PRO 70 - HD21 ASN 79 HE3 TRP 20 - QD2 LEU 24 HE3 TRP 20 - QD2 LEU 54 HE3 TRP 20 - QG1 VAL 66 HE3 TRP 20 - HG3 GLU 75 HE3 TRP 20 - QD1 LEU 77 Upper H ARG 71 - HB2 ARG 71 3.76 9 0.03 0.27 + ++++ + +*+ peak 1108 Upper HA ARG 71 - HD3 ARG 71 4.16 6 0.02 0.15 *+ + + ++ peak 3845 Upper HA ARG 71 - H SER 72 3.51 17 0.04 0.06 +++++++++++ + ++* ++ peak 335 Upper HB3 ARG 71 - HD3 ARG 71 3.89 9 0.04 0.21 ++ ++ * + + ++ peak 3861 Upper H SER 74 - QD2 LEU 114 4.33 8 0.02 0.12 + +*+ ++ + + peak 5896 H ILE 80 - QD2 LEU 114 QD2 LEU 114 - H VAL 115 Upper HA GLU 75 - HG3 GLU 75 3.71 6 0.04 0.48 + + + ++ * peak 3953 Upper HG LEU 77 - QE TYR 102 3.13 7 0.02 0.15 + ++ + * ++ peak 8370 QG2 ILE 80 - QE TYR 102 QD1 ILE 80 - QE TYR 102 HB3 LEU 27 - QD2 LEU 91 QD1 LEU 58 - QD2 LEU 91 QD2 LEU 58 - QD2 LEU 91 QD2 LEU 91 - QD2 LEU 101 QD2 LEU 91 - QG1 VAL 120 Upper HG LEU 77 - HG LEU 111 3.19 8 0.04 0.15 + ++++ +* + peak 6553 QG2 ILE 80 - QD2 LEU 93 QG2 ILE 80 - HG LEU 111 QG2 ILE 80 - QD2 LEU 111 QD1 ILE 80 - QD2 LEU 93 QD2 LEU 93 - QG2 THR 116 HG LEU 111 - QG2 THR 116 QD2 LEU 111 - QG2 THR 116 QD2 LEU 93 - HG13 ILE 124 HZ3 TRP 20 - QD2 LEU 55 HZ3 TRP 20 - QD1 LEU 59 HZ3 TRP 20 - HG13 ILE 80 HZ3 TRP 20 - QD1 LEU 93 HZ3 TRP 20 - QD2 LEU 114 Upper HG LEU 77 - HG LEU 111 2.86 16 0.11 0.28 ++ ++++++ ++++++*+ peak 4794 QG2 ILE 80 - QD2 LEU 93 QG2 ILE 80 - HG LEU 111 QG2 ILE 80 - QD2 LEU 111 QD1 ILE 80 - QD2 LEU 93 QD2 LEU 93 - QG2 THR 116 HG LEU 111 - QG2 THR 116 QD2 LEU 111 - QG2 THR 116 QD2 LEU 93 - HG13 ILE 124 QG1 VAL 18 - QE PHE 107 QD1 ILE 63 - QE PHE 107 HG2 LYS 65 - QE PHE 107 HG3 LYS 65 - QE PHE 107 QD1 LEU 101 - QE PHE 107 QE PHE 107 - QG2 ILE 124 Upper HA SER 78 - HB3 SER 78 2.47 11 0.06 0.22 +++ + ++ + *+ + + peak 4035 Upper H ASN 79 - HB3 ASN 79 3.49 7 0.03 0.10 *+ ++ + + + peak 1152 H ASN 79 - HB THR 95 Upper H ASN 79 - HB3 ARG 81 4.88 7 0.02 0.18 +++ * + + + peak 8674 H ASN 79 - HB2 GLN 105 HD21 ASN 99 - HB2 GLN 105 HB2 GLN 105 - HD21 ASN 106 Upper HA ASN 79 - HD21 ASN 79 4.32 14 0.11 0.23 ++ + *+ + ++++++ ++ peak 4048 Upper HA ASN 79 - HD22 ASN 79 4.72 8 0.04 0.15 + + * + + ++ + peak 666 HD22 ASN 79 - HA THR 95 Upper HD21 ASN 79 - H THR 95 4.29 20 0.08 0.09 +++++++++++++*++++++ peak 1498 H THR 95 - H PHE 96 Upper H ILE 80 - H PHE 96 4.20 20 0.16 0.18 +++++++++++++*++++++ peak 471 H THR 95 - H PHE 96 Upper HA ILE 80 - QD1 ILE 80 3.80 20 0.05 0.09 ++++*+++++++++++++++ peak 4098 QD1 ILE 80 - HA VAL 115 Upper HB ILE 80 - HB2 PHE 96 4.26 18 0.14 0.27 +++++++++++ +++++*+ peak 8302 HB2 LEU 84 - HB2 PHE 96 HG LEU 84 - HB2 PHE 96 H GLN 16 - HA GLU 56 H LEU 51 - HA GLU 56 HA GLU 56 - H ILE 63 HA GLU 56 - H GLU 82 Upper QG2 ILE 80 - H ILE 124 3.21 19 0.05 0.09 +++ +*++++++++++++++ peak 1414 QD1 ILE 80 - H ILE 124 H ILE 124 - HG13 ILE 124 Upper H GLU 82 - HG2 GLU 82 4.16 8 0.05 0.41 + * ++ ++ ++ peak 1174 H GLU 82 - HG3 GLN 103 Upper H GLU 82 - HG3 GLU 82 4.09 16 0.09 0.43 +++++++++++* ++ ++ peak 1175 Upper QD1 LEU 84 - HZ PHE 107 3.64 6 0.02 0.10 * + ++ + + peak 6076 HZ PHE 107 - HG LEU 111 HZ PHE 107 - QD2 LEU 111 HA GLU 38 - HB3 GLU 56 HA GLU 38 - HB3 ARG 57 HA LEU 54 - HB3 GLU 56 HA LEU 54 - HB3 ARG 57 HB3 ARG 57 - HA GLU 73 HB3 ARG 57 - HA CYS 87 Upper QD2 LEU 84 - HG LEU 111 4.74 20 0.13 0.19 +++++++++++*++++++++ peak 8165 QD2 LEU 84 - QD2 LEU 111 QG1 VAL 110 - HG LEU 111 QG1 VAL 110 - QD2 LEU 111 Upper HA3 GLY 86 - H ALA 89 4.01 16 0.12 0.23 ++ ++ +++ ++*+++ +++ peak 1714 HA3 GLY 86 - H LEU 114 H ALA 89 - HB3 SER 90 HB3 SER 90 - H LEU 114 Upper H CYS 87 - QB ALA 89 4.25 15 0.08 0.28 ++++++ +++ ++ ++ +* peak 6894 H CYS 87 - HB3 LEU 91 H CYS 87 - HB2 LEU 93 H ASP 47 - H VAL 49 H ASP 47 - H GLU 69 Upper H CYS 87 - QB ALA 89 3.27 8 0.04 0.25 +*+ + + + ++ peak 8263 H CYS 87 - HB3 LEU 91 H CYS 87 - HB2 LEU 93 QB ALA 14 - QD2 LEU 41 HG LEU 24 - QD2 LEU 41 QD2 LEU 41 - HB3 LEU 45 QD2 LEU 41 - HD2 LYS 46 QD2 LEU 41 - HB3 LEU 101 Upper HA CYS 87 - H GLY 88 3.22 20 0.27 0.33 +++++++++++++*++++++ peak 430 H GLY 88 - HB3 SER 90 Upper HA CYS 87 - HA2 GLY 88 2.40 20 0.32 0.43 ++++++++++++++++++*+ peak 6166 HA CYS 87 - HA3 GLY 88 HA CYS 87 - HB2 SER 90 Upper HB2 CYS 87 - H GLY 88 3.80 14 0.08 0.27 + ++ ++++++ ++*++ peak 431 Upper HB2 CYS 87 - HA LEU 93 4.95 9 0.03 0.18 + + ++ *+++ + peak 7599 HA LEU 93 - HG3 GLU 94 HA LEU 93 - HG2 GLN 105 HA LEU 93 - HG3 GLN 105 HA LEU 93 - HB VAL 120 Upper HB2 CYS 87 - HB3 LEU 93 5.40 8 0.03 0.09 + + ++ +*+ + peak 8519 HB3 LEU 93 - HG3 GLU 94 HB3 LEU 93 - HG3 GLN 105 Upper HB2 CYS 87 - QG2 THR 95 3.77 19 0.11 0.30 *++++++++++++++++ ++ peak 8530 HG2 GLU 94 - QG2 THR 95 HG3 GLU 94 - QG2 THR 95 Upper HB3 CYS 87 - QB ALA 89 4.28 13 0.09 0.23 + +++ ++++ + ++*+ peak 8523 HB3 CYS 87 - HB3 LEU 91 HB3 CYS 87 - HB2 LEU 93 HB2 CYS 52 - QD1 LEU 93 HB3 CYS 87 - QD1 LEU 93 Upper HB3 CYS 87 - QB ALA 89 3.23 8 0.02 0.09 ++* + + ++ + peak 8040 HB3 CYS 87 - HB3 LEU 91 HB3 CYS 87 - HB2 LEU 93 QG1 VAL 115 - HE2 LYS 119 QG1 VAL 115 - HE3 LYS 119 Upper HA2 GLY 88 - QB ALA 89 3.96 20 0.07 0.10 ++++++++++++++++*+++ peak 7562 HA3 GLY 88 - QB ALA 89 Upper H ALA 89 - HG LEU 91 3.42 19 0.10 0.16 +++++++*+++++++++ ++ peak 1355 HG LEU 91 - H LEU 114 HG LEU 93 - H LEU 114 H LEU 114 - HB3 LEU 114 Upper H ALA 89 - QD2 LEU 91 4.11 13 0.08 0.21 *+++++++ + +++ + peak 5792 QD2 LEU 91 - H ARG 92 QD2 LEU 91 - H LEU 114 Upper QB ALA 89 - HB2 SER 90 3.97 20 0.26 0.39 +++++++++++++++++*++ peak 7573 HB2 SER 90 - HB3 LEU 91 HB2 SER 90 - HB2 LEU 93 Upper QB ALA 89 - HB3 SER 90 3.84 18 0.09 0.18 +++++++++*++++ ++++ peak 7577 HB3 SER 90 - HB2 LEU 93 Upper QB ALA 89 - H LEU 91 3.34 20 0.17 0.19 ++++++++++++++*+++++ peak 1218 H LEU 91 - HB3 LEU 91 H LEU 91 - HB3 LEU 101 Upper QB ALA 89 - HG LEU 91 2.71 12 0.15 0.29 +++++++ + *++ + peak 4396 HB3 LEU 91 - HG LEU 91 HB3 LEU 91 - HG LEU 93 HG LEU 91 - HB3 LEU 101 Upper QB ALA 89 - QD2 LEU 91 2.90 7 0.08 0.25 +++ ++ * + peak 4403 HB3 LEU 91 - QD2 LEU 91 QD2 LEU 91 - HB3 LEU 101 Upper HA SER 90 - H LEU 91 3.54 16 0.03 0.03 ++++ ++*++++ +++++ peak 440 Upper HA LEU 91 - HG LEU 91 3.43 18 0.11 0.22 ++ +++++*++++++++++ peak 4376 HA LEU 91 - HG LEU 93 Upper HA LEU 91 - QD2 LEU 91 2.99 7 0.04 0.18 *++ ++ + + peak 4377 HA LEU 91 - QD1 LEU 93 HA LEU 91 - QD1 LEU 111 HA LEU 91 - HB2 ASN 118 Upper HG LEU 91 - H LEU 93 3.36 9 0.09 0.22 + +++* +++ + peak 455 HG2 ARG 92 - H LEU 93 HG3 ARG 92 - H LEU 93 H LEU 93 - HG LEU 93 Upper QD1 LEU 91 - HA LEU 93 3.43 10 0.19 0.49 + *+++++ +++ peak 4475 HA LEU 93 - QD2 LEU 93 Upper QD2 LEU 91 - HA LEU 93 3.70 17 0.22 0.37 + *++++++++ +++++ ++ peak 4476 HA LEU 93 - QD1 LEU 93 Upper H ARG 92 - HB3 ARG 92 3.99 19 0.07 0.09 ++++ +++++++++*+++++ peak 1225 Upper HB3 ARG 92 - H LEU 93 4.03 18 0.19 0.46 ++++ ++++*+++++++++ peak 453 Upper HE ARG 92 - H GLU 94 4.09 20 0.32 0.41 ++++++*+++++++++++++ peak 458 H LEU 93 - H GLU 94 H GLU 94 - HZ PHE 96 Upper H LEU 93 - QD PHE 96 3.50 20 0.30 0.30 +++++*++++++++++++++ peak 4601 QD PHE 96 - HZ PHE 96 Upper HA LEU 93 - QD2 LEU 93 3.35 11 0.03 0.15 ++ +++ +++ ++* peak 4499 HA LEU 93 - HG LEU 111 QD2 LEU 93 - HB THR 116 Upper HA LEU 93 - H GLU 94 2.74 8 0.02 0.09 * ++++++ + peak 459 H GLU 94 - HB THR 116 Upper HA GLU 94 - H THR 95 2.65 10 0.04 0.13 +*++++ +++ + peak 466 Upper HB THR 95 - QD PHE 96 4.02 11 0.04 0.09 +++ + +++ + +*+ peak 7618 HB THR 95 - QE PHE 96 Upper HA PHE 96 - QD PHE 96 3.68 20 0.04 0.05 ++++++++*+++++++++++ peak 4560 Upper QD PHE 96 - H ALA 98 3.79 6 0.01 0.04 ++ + + *+ peak 7179 QE PHE 96 - H ALA 98 HG12 ILE 22 - QG1 VAL 66 HG LEU 55 - QG1 VAL 66 QG1 VAL 66 - HG3 PRO 68 QG1 VAL 66 - HB2 ARG 92 Upper H ASP 97 - HB2 ASP 97 3.34 8 0.03 0.32 + + + ++ + + * peak 1256 H ASP 97 - HB2 ASN 108 Upper H ASP 97 - HD2 LYS 109 4.04 9 0.05 0.29 + + ++ + * + ++ peak 8029 H ASP 97 - HD3 LYS 109 H ALA 98 - HD2 LYS 109 H ALA 98 - HD3 LYS 109 QG2 ILE 22 - H LYS 119 QD2 LEU 59 - H LYS 119 HG13 ILE 80 - H LYS 119 QG2 VAL 115 - H LYS 119 QD1 LEU 117 - H LYS 119 H LYS 119 - QD1 LEU 126 Upper HB3 ASP 97 - H ALA 98 4.21 19 0.12 0.22 ++++++++*++++++++ ++ peak 485 Upper H ASN 99 - HB3 ASN 99 3.39 10 0.07 0.20 + ++ + ++ *+ ++ peak 1264 H ASN 99 - HB3 ASN 106 H ASN 99 - HB3 ASN 108 Upper HB3 ASN 99 - H ASN 108 3.42 12 0.04 0.10 +*+ + ++ + + ++ ++ peak 1319 HB3 ASN 106 - H ASN 108 H ASN 108 - HB3 ASN 108 Upper HB3 ASP 100 - QG2 VAL 110 3.24 6 0.02 0.12 * + + + + + peak 6180 HB2 PHE 107 - QG2 VAL 110 HA ASN 99 - HB2 TYR 102 Upper H LEU 101 - HB VAL 110 2.95 19 0.11 0.29 +++++++++++*+ ++++++ peak 1764 QE PHE 107 - HB VAL 110 H SER 112 - H LEU 114 H LEU 114 - H THR 116 Upper HA LEU 101 - QD2 LEU 101 3.77 17 0.10 0.22 ++++++++ ++*++ ++++ peak 4650 Upper HA TYR 102 - HD2 LYS 109 3.75 13 0.13 0.38 * ++ ++ ++++ ++ ++ peak 4941 HA TYR 102 - HD3 LYS 109 HA LYS 109 - HD2 LYS 109 HA LYS 109 - HD3 LYS 109 Upper HA TYR 102 - HE2 LYS 109 4.38 10 0.07 0.41 + ++++ * + +++ peak 4961 HA TYR 102 - HE3 LYS 109 HA LYS 109 - HE2 LYS 109 HA LYS 109 - HE3 LYS 109 Upper HA GLN 105 - H ASN 106 3.35 20 0.11 0.22 ++++++++++++++++*+++ peak 5850 HA GLN 105 - H VAL 120 Upper HB2 GLN 105 - H ASN 106 3.91 11 0.03 0.08 *+ + + ++++++ + peak 525 Upper HB2 GLN 105 - HD21 ASN 106 5.04 7 0.03 0.41 + * +++++ peak 7793 Upper HG2 GLN 105 - H ASN 106 4.10 19 0.09 0.34 +++++++ *+++++++++++ peak 528 HG3 GLN 105 - H ASN 106 Upper HA ASN 106 - HD21 ASN 106 4.25 16 0.07 0.26 + +++ ++*++ + ++++++ peak 4806 Upper HD21 ASN 106 - HE2 LYS 109 3.97 8 0.02 0.07 ++ *+ + ++ + peak 6593 HD21 ASN 106 - HE3 LYS 109 HD1 TRP 20 - HG2 PRO 30 HG2 PRO 30 - HZ PHE 40 HG2 PRO 30 - QD PHE 96 Upper HD22 ASN 106 - HD2 LYS 109 3.92 16 0.08 0.22 + ++++++ ++ ++++* ++ peak 8230 HD22 ASN 106 - HD3 LYS 109 H LEU 21 - QG2 VAL 26 Upper HD22 ASN 106 - HE2 LYS 109 3.99 6 0.02 0.09 ++ + + +* peak 8746 HD22 ASN 106 - HE3 LYS 109 HD22 ASN 108 - HE2 LYS 109 HD22 ASN 108 - HE3 LYS 109 Upper QD PHE 107 - HZ PHE 107 3.67 20 0.13 0.13 +++++++++++*++++++++ peak 4624 Upper QE PHE 107 - HB2 LEU 111 4.17 11 0.04 0.13 ++ + + ++ ++*++ peak 7931 HG2 LYS 65 - HB2 SER 113 HG3 LYS 65 - HB2 SER 113 QG2 THR 95 - HB2 SER 113 QD1 LEU 101 - HB2 SER 113 HB2 SER 113 - QG2 ILE 124 Upper H LYS 109 - HD2 LYS 109 3.98 8 0.03 0.12 + + +* + + ++ peak 1329 H LYS 109 - HD3 LYS 109 Upper H LYS 109 - HE2 LYS 109 4.54 11 0.03 0.10 + +++ +++ *+ + + peak 1331 H LYS 109 - HE3 LYS 109 Upper H LYS 109 - QG2 VAL 110 4.11 7 0.01 0.05 + +* ++ + + peak 8451 Upper HB3 LYS 109 - HE2 LYS 109 3.81 10 0.05 0.15 + *++ ++ +++ + peak 4963 HB3 LYS 109 - HE3 LYS 109 Upper HG3 LYS 109 - HE2 LYS 109 3.26 6 0.01 0.05 + + ++ *+ peak 4965 HG3 LYS 109 - HE3 LYS 109 Upper HD2 LYS 109 - H VAL 110 5.24 7 0.06 0.20 + + +++ +* peak 557 HD3 LYS 109 - H VAL 110 H VAL 110 - HB2 LEU 117 H VAL 110 - HG LEU 117 Upper H LEU 111 - H ALA 122 2.59 10 0.03 0.09 +++ +++ + ++* peak 624 H THR 121 - H ALA 122 Upper HB2 SER 112 - HB VAL 115 3.78 18 0.08 0.18 *++++++++++++ ++ +++ peak 6736 HB3 SER 112 - HB VAL 115 QG2 ILE 34 - H PHE 40 Upper QD2 LEU 114 - H VAL 115 3.48 20 0.06 0.08 ++++++*+++++++++++++ peak 1362 H VAL 115 - QG1 VAL 115 Upper HA THR 116 - QG1 VAL 120 3.21 20 0.20 0.34 *+++++++++++++++++++ peak 8061 HA LYS 119 - QG1 VAL 120 Upper QG2 THR 116 - QD2 LEU 117 3.06 7 0.02 0.13 * + + ++ + + peak 7986 QG2 THR 116 - QG2 VAL 120 Upper H LEU 117 - HB VAL 120 3.45 20 0.15 0.16 +++++*++++++++++++++ peak 5285 H VAL 120 - HB VAL 120 Upper H LYS 119 - HD2 LYS 119 4.21 8 0.08 0.28 + + + +*+ ++ peak 1388 H LYS 119 - HD3 LYS 119 Upper HA LYS 119 - HD2 LYS 119 4.05 8 0.03 0.10 *+++ + + ++ peak 5197 HA LYS 119 - HD3 LYS 119 Upper HG2 LYS 119 - HE2 LYS 119 3.38 6 0.02 0.10 +*+ + + + peak 5274 HG2 LYS 119 - HE3 LYS 119 Upper HA VAL 120 - QG2 VAL 120 3.07 20 0.13 0.13 +++++++++++++++++*++ peak 5296 Upper HA ALA 122 - H ASP 123 3.22 20 0.23 0.29 ++++++*+++++++++++++ peak 629 Upper HA ASP 123 - H ILE 124 3.13 20 0.28 0.35 *+++++++++++++++++++ peak 634 VdW HA SER 29 - CD PRO 30 2.60 20 0.30 0.31 ++++++++*+++++++++++ VdW N LEU 58 - CD1 LEU 58 3.05 10 0.18 0.38 +++ ++ +++ * + VdW H LEU 58 - CD1 LEU 58 2.55 12 0.21 0.40 + +++ +++ +++ +* VdW H LEU 58 - HD22 LEU 58 1.95 8 0.10 0.28 + ++ +++ * + VdW CG1 VAL 66 - C VAL 66 2.90 20 0.31 0.33 ++++++++++++++++*+++ VdW HA TYR 67 - CD PRO 68 2.60 12 0.24 0.29 ++ + +++* +++++ VdW O TYR 67 - HD3 PRO 70 2.30 7 0.19 0.41 + ++ *+ + + VdW CG PHE 83 - C PHE 83 2.90 8 0.14 0.25 + *+ ++ + ++ VdW O LEU 117 - CG2 THR 121 2.90 6 0.17 0.28 + + + +* + 485 violated distance restraints. 9 violated van der Waals restraints. 0 violated angle restraints. RMSDs for residues 21..96: Average backbone RMSD to mean : 0.53 +/- 0.11 A (0.28..0.82 A; 20 structures) Average heavy atom RMSD to mean : 1.06 +/- 0.10 A (0.81..1.25 A; 20 structures)