Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 27.27 381 0.0289 1.05 10 13.7 0.34 3 1.5780 8.98 2 27.48 399 0.0285 1.01 11 15.0 0.38 3 1.8551 13.18 3 27.98 396 0.0292 0.99 8 15.8 0.32 3 1.4897 8.93 4 28.30 375 0.0296 0.80 10 14.4 0.29 1 1.1104 7.45 5 28.83 388 0.0296 1.00 8 14.6 0.36 3 1.5734 10.08 6 29.34 391 0.0298 0.98 10 16.3 0.35 3 1.5967 12.06 7 29.53 381 0.0297 1.00 9 16.4 0.40 3 1.7395 11.21 8 29.80 394 0.0302 0.99 9 14.6 0.30 3 1.7171 9.06 9 29.83 401 0.0295 0.98 15 18.9 0.40 3 1.6696 9.35 10 29.98 405 0.0297 1.00 10 17.0 0.47 2 1.2478 7.36 11 30.17 388 0.0305 0.98 7 14.3 0.34 3 1.7041 11.12 12 30.21 383 0.0305 0.99 10 14.3 0.29 3 1.7064 8.94 13 30.23 406 0.0300 0.98 14 16.0 0.37 3 1.6040 9.07 14 30.43 409 0.0304 0.99 11 16.1 0.32 1 1.2417 7.83 15 30.50 420 0.0306 1.00 9 15.6 0.25 2 1.4829 9.00 16 30.58 403 0.0301 1.04 13 16.9 0.40 3 1.6204 11.07 17 30.74 397 0.0299 1.01 12 17.7 0.41 2 1.8778 14.11 18 30.75 403 0.0303 1.00 10 17.0 0.33 3 1.5768 8.49 19 30.83 403 0.0301 1.00 14 17.1 0.33 3 1.8629 10.39 20 30.91 398 0.0300 1.01 12 18.3 0.42 4 1.6147 9.28 Ave 29.68 396 0.0299 0.99 11 16.0 0.35 3 1.5934 9.85 +/- 1.10 11 0.0005 0.05 2 1.4 0.05 1 0.1989 1.76 Min 27.27 375 0.0285 0.80 7 13.7 0.25 1 1.1104 7.36 Max 30.91 420 0.0306 1.05 15 18.9 0.47 4 1.8778 14.11 Cut 0.02 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper HB2 MET 11 - QE TYR 70 4.44 12 0.04 0.13 + + * ++++ ++ +++ peak 6207 HB3 MET 11 - QE TYR 70 HG3 PRO 19 - QE TYR 70 HB VAL 66 - QE TYR 70 QE TYR 70 - HB3 PRO 84 QG2 THR 13 - QD2 LEU 76 HG3 LYS 14 - QD2 LEU 76 QG2 THR 38 - QD2 LEU 76 HG2 LYS 56 - QD2 LEU 76 QG1 VAL 66 - QD2 LEU 76 Upper HB2 MET 11 - HB2 LEU 73 3.13 12 0.04 0.13 ++ + ++*+ + + +++ peak 6038 HB3 MET 11 - HB2 LEU 73 HG3 PRO 19 - HB2 LEU 73 HB ILE 35 - HB2 LEU 73 HB3 GLN 58 - HB2 LEU 73 HB2 LEU 73 - HB3 LYS 78 HB2 LEU 73 - HG2 PRO 81 HB2 LEU 73 - HB3 PRO 84 HD2 LYS 26 - QG2 VAL 50 QD2 LEU 30 - QG2 VAL 50 QG2 VAL 50 - QD2 LEU 73 QG2 VAL 50 - QB ALA 75 QG2 VAL 50 - QD2 LEU 87 Upper HB2 MET 11 - HD3 LYS 78 2.96 17 0.19 0.64 * ++++ +++ +++++++++ peak 3350 HB3 MET 11 - HD3 LYS 78 HG3 PRO 19 - HD3 LYS 78 HB3 GLU 37 - HD3 LYS 78 HB2 GLU 49 - HD3 LYS 78 HB3 LYS 78 - HD3 LYS 78 HD3 LYS 78 - HG2 PRO 81 HD3 LYS 78 - HB3 PRO 84 Upper QE MET 11 - H GLN 58 4.10 6 0.03 0.27 +++ *+ + peak 5265 HB2 ARG 27 - H GLN 58 HG3 GLU 37 - H VAL 47 HG3 GLU 37 - H GLN 58 H VAL 47 - HB2 MET 48 HB2 MET 48 - H GLN 58 H GLN 58 - QB ALA 74 H GLN 58 - HD3 LYS 78 Upper QE MET 11 - HA TYR 70 3.37 15 0.14 0.47 + ++ *++ ++ + ++++++ peak 5789 HB2 ARG 27 - HA TYR 70 HB3 ARG 28 - HA TYR 70 HA TYR 70 - HB2 LEU 73 HA TYR 70 - QB ALA 74 HA VAL 47 - HA LEU 76 HA LEU 76 - HA PHE 80 Upper QE MET 11 - HA TYR 70 3.34 16 0.11 0.37 + ++*+++++ + ++++++ peak 4414 HB2 ARG 27 - HA TYR 70 HB3 ARG 28 - HA TYR 70 HA TYR 70 - HB2 LEU 73 HA TYR 70 - QB ALA 74 QG1 VAL 20 - H ASN 24 Upper QE MET 11 - QE TYR 70 4.08 14 0.21 0.45 ++++ ++++ ++*+++ peak 5632 HB2 ARG 28 - QE TYR 70 HB3 ARG 28 - QE TYR 70 QE TYR 70 - HB2 LEU 73 H ASP 43 - QB ALA 71 H LYS 68 - QB ALA 71 Upper QE MET 11 - HA LEU 79 4.63 9 0.17 0.66 + + +*+ ++++ peak 6117 HB2 ARG 27 - HA LEU 79 HB3 GLN 55 - HA LEU 79 HB2 LYS 65 - HA LEU 79 HB2 LEU 73 - HA LEU 79 QB ALA 74 - HA LEU 79 HD3 LYS 78 - HA LEU 79 Upper H LEU 12 - HG LEU 12 3.74 12 0.18 0.69 ++ ++ ++ + *++ ++ peak 525 H LEU 12 - HB3 LYS 64 H LEU 12 - HG2 LYS 65 H LEU 12 - HG LEU 79 Upper H LEU 12 - QG2 THR 13 4.98 9 0.05 0.26 + ++ ++ + * + + peak 4287 H LEU 12 - QG1 VAL 66 HD21 ASN 24 - QG1 VAL 66 QG2 THR 13 - H LYS 65 H LYS 65 - QG1 VAL 66 QG2 THR 13 - H PHE 80 QG1 VAL 66 - H PHE 80 Upper H LEU 12 - HB3 LYS 65 3.35 19 0.18 0.24 +++*++++++++++++ +++ peak 2927 HB3 GLN 55 - H LYS 65 H LYS 65 - HB3 LYS 65 HB3 LYS 65 - H PHE 80 Upper HA LEU 12 - QD2 LEU 12 3.19 9 0.19 0.59 + +* ++ + +++ peak 1195 QD2 LEU 12 - HA ASN 24 QD2 LEU 12 - HA GLU 33 QD2 LEU 12 - HA ASN 63 Upper HA LEU 12 - QD2 LEU 12 3.54 6 0.05 0.25 + * ++ + + peak 1165 HA LEU 12 - QD1 ILE 35 Upper HA LEU 12 - QG2 THR 13 3.00 7 0.03 0.17 + + + *+ + + peak 2203 HA LYS 31 - QG2 THR 38 HA THR 38 - QG2 THR 38 Upper HB2 LEU 12 - H GLY 16 4.59 9 0.11 0.39 + + *+ +++++ peak 5736 H GLY 16 - HG LEU 85 H PHE 57 - QB ALA 74 H GLY 59 - QB ALA 74 Upper HB3 LEU 12 - HB3 GLU 49 4.19 14 0.12 0.35 ++ +++++*+ + +++ + peak 4661 HB3 GLU 49 - HB3 LYS 56 HB3 GLU 49 - HD3 LYS 56 HB3 GLU 49 - HG2 LYS 68 HB2 LYS 17 - HG2 GLU 33 HB3 LYS 17 - HG2 GLU 33 HB3 ARG 27 - HG2 GLU 33 HB3 LYS 31 - HG2 GLU 33 HG2 GLU 33 - HB3 GLU 51 HG2 GLU 33 - HB3 LYS 65 HG2 GLU 33 - HG2 LYS 78 Upper HB3 LEU 12 - HG2 GLN 58 2.96 14 0.05 0.17 + +++ ++++ ++++*+ peak 4864 HB3 LYS 56 - HG2 GLN 58 HD3 LYS 56 - HG2 GLN 58 HG2 GLN 58 - HG2 LYS 68 QE MET 48 - HB3 LYS 64 QE MET 48 - HD2 LYS 64 QE MET 48 - HG2 LYS 65 QE MET 48 - HB3 LEU 76 QE MET 48 - HG3 LYS 78 Upper HB3 LEU 12 - HE21 GLN 58 4.16 18 0.15 0.37 +++++++++++ ++++*++ peak 4995 HG2 LYS 44 - HE21 GLN 58 HB3 LYS 56 - HE21 GLN 58 HD3 LYS 56 - HE21 GLN 58 HE21 GLN 58 - HG2 LYS 68 HD2 ARG 27 - H VAL 50 H VAL 50 - HB2 PHE 57 H VAL 50 - HB2 PHE 80 H VAL 50 - HD3 PRO 81 Upper HB3 LEU 12 - HE22 GLN 58 4.37 6 0.03 0.23 + + + ++ * peak 4253 HB3 LYS 56 - HE22 GLN 58 HD3 LYS 56 - HE22 GLN 58 HE22 GLN 58 - HG2 LYS 68 QD2 LEU 12 - H LYS 17 QD2 LEU 12 - H VAL 20 QD2 LEU 12 - H LYS 44 QD2 LEU 12 - HD21 ASN 63 Upper HB3 LEU 12 - HE22 GLN 58 4.27 13 0.09 0.27 ++ + +++++++ ++* peak 4192 HB3 LYS 56 - HE22 GLN 58 HD3 LYS 56 - HE22 GLN 58 HE22 GLN 58 - HG2 LYS 68 HA ALA 67 - H ALA 71 Upper HB3 LEU 12 - QD1 LEU 79 3.53 11 0.06 0.23 *+ + ++ +++ + ++ peak 4900 HB3 LYS 56 - QD1 LEU 79 HG2 LYS 68 - QD1 LEU 79 QB ALA 69 - QD1 LEU 79 H MET 48 - HA ALA 60 Upper HG LEU 12 - HA GLU 33 4.24 18 0.13 0.28 +++++++++++ +++*+ ++ peak 4650 HG2 ARG 27 - HA GLU 33 HA GLU 33 - HB3 LEU 34 HA GLU 33 - HD2 LYS 44 HA GLU 33 - HB3 LYS 64 HA GLU 33 - HB3 LEU 76 HB3 LEU 76 - HA ASP 82 Upper HG LEU 12 - HG3 GLU 77 5.11 6 0.02 0.16 + + * + + + peak 5803 HD2 LYS 64 - HG3 GLU 77 HG2 LYS 65 - HG3 GLU 77 HG3 GLU 25 - HB3 LEU 76 HB3 LEU 76 - HG3 GLU 77 HG3 GLU 25 - HG3 LYS 78 HG3 GLU 77 - HG3 LYS 78 HG3 GLU 77 - HG LEU 79 Upper QD1 LEU 12 - HA THR 13 3.82 13 0.12 0.29 + ++ +++++ +++* + peak 6152 HA THR 13 - QD1 LEU 73 Upper QD1 LEU 12 - HA PRO 19 4.64 13 0.05 0.14 + ++ + ++*+ ++ +++ peak 4366 HA PRO 19 - QG1 VAL 20 HA PRO 19 - QG2 VAL 20 HA PRO 19 - QD1 LEU 79 Upper QD1 LEU 12 - H LYS 26 3.36 12 0.04 0.12 + + ++ ++*+++ + + peak 607 QG1 VAL 20 - H LYS 26 QG2 VAL 20 - H LYS 26 H LYS 26 - HG2 LYS 26 H LYS 26 - QD1 LEU 30 H LYS 26 - QD1 LEU 73 Upper QD1 LEU 12 - H LEU 79 3.34 16 0.31 0.51 +++*+ +++++++ + +++ peak 895 QG2 VAL 20 - H LEU 79 QD2 LEU 76 - H LEU 79 H LEU 79 - QD1 LEU 79 Upper QD1 LEU 12 - HA LEU 79 2.98 16 0.62 1.01 +++++ ++ ++++ + *+++ peak 3382 QG1 VAL 20 - HA LEU 79 QG2 VAL 20 - HA LEU 79 QD2 LEU 76 - HA LEU 79 HA LEU 79 - QD1 LEU 79 Upper QD1 LEU 12 - H PHE 80 3.85 14 0.11 0.27 ++++ + +++ ++++ *+ peak 384 QG2 VAL 20 - H PHE 80 QD2 LEU 76 - H PHE 80 QD1 LEU 79 - H PHE 80 Upper QD2 LEU 12 - H THR 13 4.28 7 0.05 0.27 ++ * + ++ + peak 3802 Upper QD2 LEU 12 - HA3 GLY 16 3.67 8 0.08 0.36 ++* ++ + ++ peak 5220 HA3 GLY 16 - QD1 ILE 35 HG2 PRO 19 - HD2 LYS 56 HB2 GLU 33 - HD2 LYS 56 QE MET 48 - HD2 LYS 56 HG3 GLU 49 - HD2 LYS 56 HB2 GLU 51 - HD2 LYS 56 HD2 LYS 56 - HB2 GLN 58 Upper QD2 LEU 12 - H ASN 18 4.82 7 0.04 0.25 + ++ + ++ * peak 4539 QD2 LEU 12 - H LEU 34 QD2 LEU 12 - H GLY 54 QD2 LEU 12 - H PHE 57 HD3 ARG 27 - QD TYR 32 HD3 ARG 27 - HE21 GLN 55 HD3 ARG 27 - QE TYR 70 Upper QD2 LEU 12 - HD3 PRO 19 3.91 9 0.08 0.39 + + +++* + ++ peak 1031 HD3 PRO 19 - QD1 ILE 35 QD1 ILE 35 - HD2 PRO 84 HA GLU 22 - H ASN 24 H ASN 24 - HA LEU 73 H ASN 24 - HA GLU 77 Upper QD2 LEU 12 - HB2 SER 36 5.24 17 0.53 0.72 +++++++++++++*++ + peak 4760 QD1 ILE 35 - HB2 SER 36 Upper QD2 LEU 12 - HB3 SER 36 5.46 17 0.48 0.72 +++++++++++*++++ + peak 4766 QD1 ILE 35 - HB3 SER 36 Upper HA THR 13 - QG2 THR 13 3.14 14 0.03 0.06 + + + +++ +++ +*+++ peak 1210 Upper HA THR 13 - QG2 THR 13 3.06 14 0.07 0.13 + + + +*+++++ ++ ++ peak 1204 HA THR 13 - HG3 LYS 14 HA THR 13 - QG1 VAL 66 Upper HB THR 13 - H MET 48 3.71 14 0.28 0.74 +++ + ++++ +*++++ peak 5714 HA LYS 17 - H MET 48 H MET 48 - HA3 GLY 59 H MET 48 - HA2 GLY 61 HA THR 13 - QD2 LEU 73 HA ILE 35 - QD2 LEU 73 QD2 LEU 73 - HA PRO 84 Upper QG2 THR 13 - HB2 LYS 17 3.76 9 0.06 0.29 + + + +*++++ peak 6028 HB2 LYS 17 - QG1 VAL 66 QG2 THR 13 - HB3 LYS 17 HB3 LYS 17 - QG1 VAL 66 HB3 ARG 27 - QG1 VAL 66 HB3 LYS 31 - QG2 THR 38 HB3 LYS 65 - QG1 VAL 66 QG2 THR 13 - HB2 LEU 73 Upper QG2 THR 13 - H VAL 66 3.51 20 0.22 0.25 *+++++++++++++++++++ peak 3012 H VAL 66 - QG1 VAL 66 Upper QG2 THR 13 - H VAL 66 3.51 20 0.22 0.25 *+++++++++++++++++++ peak 825 HG3 LYS 14 - H VAL 66 H VAL 66 - QG1 VAL 66 QG1 VAL 66 - H ASP 88 Upper HB2 HIS 15 - QB ALA 60 5.04 9 0.04 0.15 +++++* + ++ peak 5088 QB ALA 60 - HB3 TYR 70 H ARG 28 - HB3 GLU 51 HB3 GLU 51 - H TYR 70 HB3 GLU 51 - H ALA 72 Upper HB2 HIS 15 - H TYR 70 3.28 20 0.24 0.30 ++++++++++++*+++++++ peak 845 H TYR 70 - HB3 TYR 70 Upper H GLY 16 - H LYS 17 4.23 6 0.03 0.17 + * +++ + peak 956 H GLY 16 - H VAL 20 H GLY 16 - HD21 ASN 63 Upper H GLY 16 - HD22 ASN 63 4.81 6 0.01 0.06 + + + *+ + peak 5413 HD22 ASN 63 - H LYS 64 HD22 ASN 63 - H VAL 66 Upper H GLY 16 - HB3 PRO 84 3.85 10 0.08 0.32 ++ ++* + ++ ++ peak 4116 H ALA 60 - HB3 PRO 84 HB3 PRO 84 - H LEU 85 Upper HA2 GLY 16 - H LEU 85 5.12 20 0.20 0.29 ++++++++++++++*+++++ peak 403 HD3 PRO 84 - H LEU 85 Upper HA3 GLY 16 - H MET 21 3.73 13 0.08 0.29 *+ ++ ++++ +++++ peak 1076 HA PRO 19 - H MET 21 H MET 21 - HA GLU 25 H MET 21 - HA ALA 71 H MET 21 - HA ALA 72 H MET 21 - HA LEU 79 HA GLU 22 - H LEU 73 HA3 GLY 29 - H LEU 73 HA ALA 69 - H LEU 73 H LEU 73 - HA GLU 77 Upper H LYS 17 - HG3 LYS 17 4.29 7 0.05 0.24 * ++ + + ++ peak 555 H LYS 17 - HG3 LYS 56 Upper H LYS 17 - HB3 MET 21 5.81 10 0.13 0.47 *++ +++ + + + + peak 4426 H VAL 20 - HB3 MET 21 HB3 MET 21 - H LYS 44 HB3 MET 21 - HD21 ASN 63 Upper H LYS 17 - H LEU 23 3.83 19 0.26 0.46 +++ *+++++++++++++++ peak 5717 H VAL 20 - H LEU 23 H LEU 23 - H LYS 44 H LEU 23 - HD21 ASN 63 HG3 ARG 27 - QB ALA 74 HG LEU 30 - QB ALA 74 HB2 LYS 56 - QB ALA 74 HD2 LYS 56 - QB ALA 74 QB ALA 71 - QB ALA 74 Upper HA LYS 17 - HD2 LYS 17 3.88 6 0.02 0.11 ++ + +* + peak 1336 HA LYS 17 - HD3 LYS 17 Upper HA LYS 17 - HE2 LYS 17 4.20 9 0.04 0.23 ++ + ++ + + +* peak 1400 HA LYS 17 - HE3 LYS 17 Upper HA LYS 17 - H ASN 18 3.27 8 0.10 0.30 + * ++ ++++ peak 43 H ASN 18 - HA3 GLY 59 Upper HB2 LYS 17 - H ASN 18 3.53 7 0.04 0.17 * + ++ + ++ peak 45 HB3 LYS 17 - H ASN 18 H ASN 18 - HB3 LYS 65 Upper HB2 LYS 17 - HB3 TYR 32 4.80 8 0.04 0.19 + + +*++ ++ peak 4618 HB3 LYS 17 - HB3 TYR 32 HB3 LYS 31 - HB3 TYR 32 HB3 TYR 32 - HB3 MET 48 HB3 TYR 32 - HB3 GLN 55 HB3 TYR 32 - HB3 LYS 65 HB3 TYR 32 - HB2 LEU 73 Upper HB2 LYS 17 - H LYS 65 2.92 20 0.60 0.66 +++*++++++++++++++++ peak 814 HB3 LYS 17 - H LYS 65 HB3 MET 48 - H LYS 65 HB3 GLN 55 - H LYS 65 H LYS 65 - HB3 LYS 65 Upper HB2 LYS 17 - H VAL 66 3.22 10 0.08 0.24 ++ ++*+ + + + + peak 303 HB3 LYS 17 - H VAL 66 HB3 MET 48 - H VAL 66 HB3 GLN 55 - H VAL 66 HB3 LYS 65 - H VAL 66 HB3 LYS 65 - H ASP 88 Upper HG2 LYS 17 - HA VAL 20 4.12 8 0.04 0.19 + + + + * +++ peak 6202 HG3 LYS 17 - HA VAL 20 HA VAL 20 - HB3 LEU 23 HA VAL 20 - HB2 LEU 79 HB2 LYS 17 - HA GLU 22 HB3 LYS 17 - HA GLU 22 HA GLU 22 - HG2 LYS 78 Upper HG2 LYS 17 - H VAL 66 4.27 13 0.14 0.51 +++ + +++ ++*+++ peak 305 HG3 LYS 17 - H VAL 66 HB3 LEU 23 - H VAL 66 HB3 LEU 23 - H ASP 88 HG3 LYS 56 - H VAL 66 HG3 LYS 65 - H VAL 66 HG3 LYS 65 - H ASP 88 H VAL 66 - HB3 LYS 68 H VAL 66 - HB2 LEU 79 Upper HG3 LYS 17 - H ASN 18 4.73 7 0.03 0.25 *+ + ++ + + peak 47 H ASN 18 - HG3 LYS 56 Upper HG3 LYS 17 - HG3 GLU 33 4.74 10 0.05 0.15 ++ ++++ *+++ peak 6081 HG3 LYS 31 - HG3 GLU 33 HG3 GLU 33 - HD3 LYS 44 HG3 GLU 33 - HG3 LYS 56 HG3 GLU 33 - HG3 LYS 65 HG3 GLU 33 - HB3 LYS 68 HB3 LYS 44 - HA LYS 56 HB3 LYS 44 - HA ASN 90 Upper HD2 LYS 17 - HB2 GLU 22 4.25 8 0.09 0.42 ++ ++ * +++ peak 5156 HD3 LYS 17 - HB2 GLU 22 HB2 GLU 22 - HB3 LYS 26 HB2 GLU 22 - HG LEU 34 HB2 GLU 22 - HG2 GLU 37 HB2 GLU 22 - HB2 LYS 56 HB2 GLU 22 - QB ALA 72 HB3 ARG 27 - H GLY 54 HB2 LEU 30 - H GLY 54 HB3 LYS 31 - H GLY 54 HB3 GLU 51 - H GLY 54 H GLY 54 - HG2 LYS 78 Upper HD2 LYS 17 - HB3 GLU 22 4.43 9 0.09 0.27 + +++ + ++ + * peak 6120 HD3 LYS 17 - HB3 GLU 22 HB3 GLU 22 - HB2 LYS 56 HB3 GLU 22 - QB ALA 72 HB3 GLU 22 - HB3 LEU 76 HB3 LEU 76 - HB2 GLU 77 HB3 GLU 22 - HG LEU 79 Upper HD2 LYS 17 - HG3 GLU 22 3.61 10 0.05 0.18 +++*++ + ++ + peak 4698 HD3 LYS 17 - HG3 GLU 22 HG3 GLU 22 - HB3 LYS 26 HG3 GLU 22 - HG LEU 34 HG3 GLU 22 - HB2 LYS 56 HG3 GLU 22 - HD3 LYS 64 HG3 GLU 22 - QB ALA 72 HG3 GLU 22 - HB2 LEU 85 QG2 ILE 35 - QD TYR 70 QG1 VAL 47 - QD TYR 70 QG2 VAL 47 - QD TYR 70 HG3 LYS 68 - QD TYR 70 QD TYR 70 - QD2 LEU 73 Upper HD2 LYS 17 - HA GLN 55 4.52 18 0.16 0.31 ++++++++ ++++++* +++ peak 5173 HD3 LYS 17 - HA GLN 55 HG3 ARG 27 - HA GLN 55 HG LEU 34 - HA GLN 55 HA GLN 55 - HB2 LYS 56 HA GLN 55 - QB ALA 71 HA GLN 55 - QB ALA 72 HA GLN 55 - HG LEU 79 Upper HD2 LYS 17 - HD3 LYS 56 2.60 19 0.41 0.74 ++++++++*+++++++ +++ peak 2671 HD3 LYS 17 - HD3 LYS 56 HG3 ARG 27 - HD3 LYS 56 HG LEU 34 - HD3 LYS 56 HB2 LYS 56 - HD3 LYS 56 Upper HE3 LYS 17 - H TYR 32 3.13 20 0.58 0.62 +++++++++++*++++++++ peak 652 H TYR 32 - HB3 TYR 32 Upper H ASN 18 - HG2 GLU 33 4.14 13 0.22 0.40 + +++ + +*++ ++ + + peak 3914 HG2 GLU 33 - H LEU 34 HG2 GLU 33 - H GLY 54 HG2 GLU 33 - H PHE 57 Upper HB2 ASN 18 - HB2 MET 21 3.77 8 0.04 0.18 + + + + ++ + * peak 5316 HB3 ASN 18 - HB2 MET 21 HB2 MET 21 - HB3 ASN 24 HG3 ARG 45 - H GLY 59 HB VAL 50 - H GLY 59 H GLY 59 - HB2 LYS 64 H GLY 59 - QB ALA 67 H GLY 59 - HG2 LYS 68 Upper HB2 ASN 18 - HB2 MET 21 3.46 7 0.03 0.10 *+ + + ++ + peak 1050 HB3 ASN 18 - HB2 MET 21 HB2 MET 21 - HB3 ASN 24 HB2 SER 36 - H LYS 68 HA2 GLY 39 - H LYS 68 HA LYS 65 - H LYS 68 Upper HB2 ASN 18 - HB3 MET 21 3.85 7 0.03 0.16 *++ + ++ + peak 4887 HB3 ASN 18 - HB3 MET 21 HB3 MET 21 - HB3 ASN 24 HB2 SER 36 - QE MET 48 QE MET 48 - HA LYS 65 Upper HD22 ASN 18 - HB2 MET 21 3.50 7 0.02 0.08 * ++++ + + peak 1513 H MET 21 - HB2 MET 21 Upper HD22 ASN 18 - HB3 GLN 55 4.23 8 0.02 0.13 ++ * + + +++ peak 5719 H MET 21 - HB3 GLN 55 HB3 GLN 55 - QD PHE 57 QD PHE 57 - HB3 LYS 65 QG2 VAL 20 - QB ALA 74 QG1 VAL 50 - QB ALA 74 HG3 LYS 64 - QB ALA 74 QB ALA 74 - QD2 LEU 76 Upper HA PRO 19 - HB3 LYS 78 5.00 10 0.25 0.59 + * + +++ ++++ peak 5819 HD2 PRO 19 - HB3 LYS 78 HB3 LYS 78 - HA LEU 79 Upper HA PRO 19 - HG2 LYS 78 5.51 8 0.17 0.70 + + +++ * + + peak 5821 HA GLU 25 - HG2 LYS 78 HG2 LYS 78 - HA LEU 79 Upper HA PRO 19 - HG3 LYS 78 5.10 11 0.18 0.66 +++ + *+ + ++++ peak 5822 HD2 PRO 19 - HG3 LYS 78 HG3 LYS 78 - HA LEU 79 Upper HB2 PRO 19 - H VAL 20 3.14 12 0.04 0.17 *++++ ++ ++ + + + peak 54 HB3 PRO 19 - H VAL 20 Upper HB2 PRO 19 - HA GLU 22 3.28 15 0.31 0.64 +++++ +++++++* + + peak 1082 HB3 PRO 19 - HA GLU 22 HA GLU 22 - HB2 GLU 25 HA GLU 22 - HB2 LYS 78 H GLY 61 - H ALA 74 H ALA 74 - H LEU 76 H ALA 74 - H ASP 82 Upper HB2 PRO 19 - H GLU 25 3.22 15 0.20 0.32 +++++ ++++*+++ + + peak 599 HB3 PRO 19 - H GLU 25 HB2 LEU 23 - H GLU 25 H GLU 25 - HB2 GLU 25 H GLU 25 - HE3 LYS 68 H GLU 25 - HB2 LYS 78 Upper HB2 PRO 19 - QD2 LEU 34 3.91 19 0.29 0.48 ++++++++ +++*+++++++ peak 1058 HB3 PRO 19 - QD2 LEU 34 HB2 PRO 19 - QG2 THR 38 HB3 PRO 19 - QG2 THR 38 HB2 PRO 19 - HG2 LYS 56 HB3 PRO 19 - HG2 LYS 56 HA LYS 68 - H TYR 70 Upper HB2 PRO 19 - HD3 LYS 56 2.74 10 0.17 0.49 ++ * ++ + ++++ peak 4236 HB3 PRO 19 - HD3 LYS 56 HB2 LEU 34 - HD3 LYS 56 HB2 GLU 51 - HD3 LYS 56 HB2 PRO 19 - HA ALA 75 HB3 PRO 19 - HA ALA 75 HB2 GLU 25 - HA ALA 75 HA ALA 75 - HB2 LYS 78 Upper HB2 PRO 19 - HA ALA 72 3.95 15 0.09 0.21 + ++++++++* +++ + + peak 5305 HB3 PRO 19 - HA ALA 72 HG2 PRO 19 - HA ALA 72 HB2 GLU 25 - HA ALA 72 HG12 ILE 35 - HE21 GLN 58 HG3 LYS 44 - HE21 GLN 58 Upper HB2 PRO 19 - HB2 LEU 73 3.85 8 0.06 0.45 + ++ +*+ + + peak 4226 HB3 PRO 19 - HB2 LEU 73 HG2 PRO 19 - HB2 LEU 73 HB2 GLU 25 - HB2 LEU 73 HB2 LEU 73 - HB2 LYS 78 HA LEU 23 - H VAL 66 H VAL 66 - HA LEU 73 HA LEU 23 - H GLU 77 HA LEU 73 - H GLU 77 HA LEU 73 - H ALA 86 HA LEU 23 - H ASP 88 HA LEU 73 - H ASP 88 Upper HB2 PRO 19 - H PHE 80 4.62 10 0.11 0.41 ++ + ++ + *+++ peak 5878 HB3 PRO 19 - H PHE 80 HB2 LYS 78 - H PHE 80 H PHE 80 - HB3 PRO 81 Upper HG2 PRO 19 - QD1 LEU 34 3.17 17 0.12 0.25 +++++ ++++ * +++++++ peak 4679 HB2 GLU 33 - QD1 LEU 34 QD1 LEU 34 - HB VAL 47 HG2 LYS 17 - QE MET 48 QD1 LEU 34 - QE MET 48 QD1 LEU 34 - HG3 GLU 49 Upper HG2 PRO 19 - H ALA 71 4.89 6 0.02 0.14 ++ + + + * peak 4604 HB2 GLN 58 - H ALA 71 H ALA 71 - HB2 LEU 76 HB2 LYS 31 - QG2 VAL 50 Upper HG2 PRO 19 - H LYS 78 3.19 19 0.35 0.50 +++*++++ +++++++++++ peak 365 HB3 GLU 22 - H LYS 78 HB2 LEU 76 - H LYS 78 HB2 GLU 77 - H LYS 78 H LYS 78 - HB3 PRO 81 Upper HG2 PRO 19 - HA THR 83 4.09 19 0.26 0.37 ++++++++++++++++++* peak 5937 HB3 PRO 81 - HA THR 83 HA THR 83 - HG3 PRO 84 Upper HG3 PRO 19 - H VAL 20 3.76 14 0.06 0.18 *++++ ++ ++ + + +++ peak 56 H VAL 20 - HB2 GLU 22 H VAL 20 - HG2 PRO 81 H VAL 20 - HB3 PRO 84 Upper HG3 PRO 19 - H LEU 23 3.46 14 0.27 0.54 + *+++ +++ +++ +++ peak 73 HB2 GLU 22 - H LEU 23 H LEU 23 - HB2 GLU 49 H LEU 23 - HB3 LYS 78 H LEU 23 - HG2 PRO 81 H LEU 23 - HB3 PRO 84 Upper HG3 PRO 19 - HD2 LYS 78 2.50 7 0.07 0.42 * ++ + +++ peak 3340 HB2 GLU 49 - HD2 LYS 78 HB3 LYS 78 - HD2 LYS 78 HD2 LYS 78 - HG2 PRO 81 HD2 LYS 78 - HB3 PRO 84 Upper HG3 PRO 19 - H LEU 79 3.29 10 0.24 0.57 + + + *++ ++++ peak 372 HB ILE 35 - H LEU 79 HB2 GLU 49 - H LEU 79 HB3 GLN 58 - H LEU 79 HB3 LYS 78 - H LEU 79 H LEU 79 - HG2 PRO 81 H LEU 79 - HB3 PRO 84 Upper HG3 PRO 19 - HA LEU 79 4.80 6 0.04 0.25 + + * +++ peak 5840 HB3 LYS 78 - HA LEU 79 HA LEU 79 - HG2 PRO 81 Upper HG3 PRO 19 - H PHE 80 4.33 17 0.31 0.61 + *++++++++++++++ + peak 5877 HB3 LYS 78 - H PHE 80 H PHE 80 - HG2 PRO 81 Upper HG3 PRO 19 - H ASP 82 4.14 15 0.25 0.69 + + +++++ +++++++* peak 389 HB2 GLU 49 - H ASP 82 HB3 LYS 78 - H ASP 82 HG2 PRO 81 - H ASP 82 H ASP 82 - HB3 PRO 84 Upper HG3 PRO 19 - H THR 83 5.33 6 0.10 0.52 + + *++ + peak 5925 HG2 PRO 81 - H THR 83 H THR 83 - HB3 PRO 84 Upper HG3 PRO 19 - QD1 LEU 85 4.27 9 0.04 0.20 ++ ++ + +*+ + peak 5958 HB2 GLU 22 - QD1 LEU 85 HB2 GLU 22 - QD1 LEU 87 HB2 GLU 49 - QD1 LEU 85 HB3 LYS 78 - QD1 LEU 85 HB3 LYS 78 - QD1 LEU 87 HB3 PRO 84 - QD1 LEU 85 HB3 PRO 84 - QD1 LEU 87 Upper HD3 PRO 19 - QG2 VAL 66 5.15 9 0.02 0.07 *++ + + ++ + + peak 5461 HB2 SER 36 - QG2 VAL 66 QG2 VAL 66 - HA ALA 67 Upper HD3 PRO 19 - HB3 TYR 70 4.02 14 0.08 0.28 + ++ +++++ + ++*++ peak 5006 HA ALA 67 - HB3 TYR 70 HB3 TYR 70 - HD2 PRO 84 QD1 LEU 23 - HB VAL 50 QG2 ILE 35 - HB VAL 50 QG1 VAL 47 - HB VAL 50 HB VAL 50 - HG3 LYS 68 Upper HD3 PRO 19 - HB THR 83 3.93 12 0.04 0.16 * ++ ++++++ + ++ peak 5933 HB THR 83 - HD2 PRO 84 Upper HA VAL 20 - HA ALA 72 4.67 10 0.06 0.27 ++ +* +++ + ++ peak 4826 HA ALA 72 - HD2 PRO 81 HB2 SER 36 - H VAL 47 HB2 SER 36 - H GLN 58 H VAL 47 - HA LYS 65 Upper HA VAL 20 - H PHE 80 3.75 7 0.03 0.25 + + * + ++ + peak 5879 H PHE 80 - HD2 PRO 81 Upper HA VAL 20 - H ASP 82 4.91 14 0.15 0.30 +*+ ++++ ++ +++++ peak 391 HD2 PRO 81 - H ASP 82 Upper HB VAL 20 - QD TYR 32 3.96 10 0.04 0.16 + ++ + ++ ++ *+ peak 4605 QD TYR 32 - HB2 GLU 33 QD TYR 32 - QE MET 48 Upper HB VAL 20 - H LYS 68 3.79 6 0.06 0.26 *+ + ++ + peak 4722 QE MET 48 - H LYS 68 HB3 LEU 12 - QE PHE 80 HG2 ARG 27 - QE PHE 80 HG2 LYS 31 - QE PHE 80 HB3 LEU 34 - QE PHE 80 HB3 LYS 56 - QE PHE 80 HD3 LYS 56 - QE PHE 80 QB ALA 67 - QE PHE 80 Upper HB VAL 20 - QB ALA 75 4.49 6 0.03 0.25 + +* + + + peak 5760 HB3 GLU 22 - QB ALA 75 HB2 GLU 33 - QB ALA 75 QE MET 48 - QB ALA 75 QB ALA 75 - HB2 LEU 76 QB ALA 75 - HD2 LYS 78 QB ALA 75 - HG3 PRO 81 Upper HB VAL 20 - H LYS 78 3.40 19 0.61 0.76 ++++++++ +++*+++++++ peak 886 HB3 GLU 22 - H LYS 78 HB2 GLU 33 - H LYS 78 QE MET 48 - H LYS 78 HG3 GLU 49 - H LYS 78 HB2 LEU 76 - H LYS 78 H LYS 78 - HD2 LYS 78 H LYS 78 - HG3 PRO 81 Upper HB VAL 20 - H ASP 82 3.80 11 0.14 0.49 + ++ ++ * + ++++ peak 390 HB VAL 47 - H ASP 82 HB3 GLN 58 - H ASP 82 HB2 LEU 76 - H ASP 82 HD2 LYS 78 - H ASP 82 HG3 PRO 81 - H ASP 82 H ASP 82 - HG3 PRO 84 Upper QG1 VAL 20 - QE MET 21 4.29 10 0.12 0.43 + ++ + + + + ++ * peak 4441 QG2 VAL 20 - QE MET 21 QE MET 21 - QD2 LEU 76 QE MET 21 - QD1 LEU 79 Upper QG1 VAL 20 - HA GLU 22 4.70 10 0.05 0.22 +* +++ +++ ++ peak 5442 QG2 VAL 20 - HA GLU 22 HA GLU 22 - QD2 LEU 76 HZ PHE 46 - HG3 LYS 64 HG3 LYS 64 - QD TYR 70 Upper QG1 VAL 20 - HA GLU 22 4.28 15 0.14 0.29 + +++*++++ +++ +++ peak 4579 QG2 VAL 20 - HA GLU 22 HA GLU 22 - QD2 LEU 76 H LEU 30 - QG2 VAL 50 Upper QG1 VAL 20 - H ASP 53 3.30 14 0.07 0.19 ++++ * + ++ ++++++ peak 5394 QG2 VAL 20 - H ASP 53 HG2 LYS 26 - H ASP 53 QD1 LEU 30 - H ASP 53 H ASP 53 - QD1 LEU 79 H ASP 53 - QD2 LEU 79 QG2 THR 13 - H ASN 63 HG3 LYS 14 - H ASN 63 H ASN 63 - QG1 VAL 66 Upper QG1 VAL 20 - H ASP 53 3.68 17 0.14 0.32 ++ ++++ ++++++++*++ peak 1053 QG2 VAL 20 - H ASP 53 HG2 LYS 26 - H ASP 53 QD1 LEU 30 - H ASP 53 H ASP 53 - QD1 LEU 79 H ASP 53 - QD2 LEU 79 HD3 PRO 19 - H ALA 69 HA ALA 67 - H ALA 69 H ALA 69 - HD2 PRO 84 Upper QG1 VAL 20 - H LYS 68 3.79 13 0.05 0.19 +++++ + ++*+ + ++ peak 1066 QG2 VAL 20 - H LYS 68 HG2 LYS 26 - H LYS 68 H LYS 68 - QD1 LEU 79 HD3 PRO 19 - H ALA 71 HA ALA 67 - H ALA 71 H ALA 71 - HD2 PRO 84 Upper QG1 VAL 20 - HD2 LYS 68 3.61 8 0.03 0.13 +++ + * + ++ peak 4232 QG1 VAL 20 - HD3 LYS 68 QG1 VAL 20 - HB2 LEU 79 HA MET 21 - HB3 GLU 25 HA MET 21 - HB3 GLU 77 HB3 GLU 25 - HA ALA 74 HA ALA 74 - HB3 GLU 77 Upper QG1 VAL 20 - H ALA 72 3.46 14 0.10 0.31 ++ ++++++ + *++ ++ peak 5462 QG2 VAL 20 - H ALA 72 HG2 LYS 26 - H ALA 72 H ALA 72 - QD2 LEU 76 H ALA 72 - QD1 LEU 79 HA LYS 14 - QG2 VAL 66 HA3 GLY 54 - QG2 VAL 66 HA3 GLY 61 - QG2 VAL 66 Upper QG1 VAL 20 - H ALA 72 3.51 13 0.06 0.25 + ++*+++ + ++++ + peak 4908 QG2 VAL 20 - H ALA 72 HG2 LYS 26 - H ALA 72 H ALA 72 - QD2 LEU 76 H ALA 72 - QD1 LEU 79 QD TYR 32 - HB3 MET 48 HB3 MET 48 - HE21 GLN 55 HB3 MET 48 - QE TYR 70 Upper QG1 VAL 20 - HA ALA 75 3.99 16 0.18 0.61 ++ +++++* +++ +++++ peak 5764 QG2 VAL 20 - HA ALA 75 HG2 LYS 26 - HA ALA 75 HG3 LYS 64 - HA ALA 75 HA ALA 75 - QD2 LEU 76 HA ALA 75 - QD1 LEU 79 Upper QG1 VAL 20 - HG3 GLU 77 3.93 15 0.14 0.31 ++ ++++++++ +++ +* peak 5802 QD1 LEU 23 - HG3 GLU 77 HG3 GLU 25 - HG2 LYS 26 HG2 LYS 26 - HG3 GLU 77 QD1 LEU 30 - HG3 GLU 77 HG3 GLU 25 - QD1 LEU 73 QD1 LEU 73 - HG3 GLU 77 HG3 GLU 77 - QD2 LEU 79 Upper QG2 VAL 20 - H ALA 75 3.98 9 0.04 0.17 +++ + * + +++ peak 5748 QG1 VAL 50 - H ALA 75 HG3 LYS 64 - H ALA 75 H ALA 75 - QD2 LEU 76 Upper QG2 VAL 20 - H LEU 76 3.74 14 0.07 0.17 ++++ ++ ++*++++ + peak 873 HG3 LYS 64 - H LEU 76 H LEU 76 - QD2 LEU 76 Upper QG2 VAL 20 - H GLU 77 4.49 18 0.09 0.37 ++++ ++ *+++++++++++ peak 362 HG3 LYS 64 - H GLU 77 QD2 LEU 76 - H GLU 77 H GLU 77 - QD1 LEU 79 Upper H MET 21 - HB3 MET 21 3.50 12 0.06 0.15 +++ ++* ++++ + + peak 574 H MET 21 - HB VAL 52 H MET 21 - HG2 GLN 55 Upper HA MET 21 - HG3 MET 21 3.69 7 0.05 0.26 * + + + + + + peak 1535 Upper HA MET 21 - HB3 GLU 22 4.01 20 0.43 0.64 ++++++++++++++++*+++ peak 4230 HA MET 21 - HB2 GLU 77 HB3 GLU 22 - HA ALA 74 HA ALA 74 - HB2 GLU 77 Upper HA MET 21 - H LEU 23 3.54 8 0.08 0.44 ++ ++ ++ + * peak 6147 H LEU 23 - HA ALA 74 H LEU 23 - HB THR 83 HG3 PRO 19 - QD2 LEU 73 HB2 GLU 22 - QD2 LEU 73 HB ILE 35 - QD2 LEU 73 HB VAL 66 - QD2 LEU 73 QD2 LEU 73 - HB3 LYS 78 QD2 LEU 73 - HG2 PRO 81 QD2 LEU 73 - HB3 PRO 84 Upper HB2 MET 21 - H GLU 22 3.21 6 0.06 0.32 + +*+ + + peak 582 QE MET 21 - H GLU 22 H GLU 22 - HG2 GLU 22 H GLU 22 - HB3 GLU 77 Upper HB2 MET 21 - HA GLU 22 3.34 6 0.03 0.18 *+ +++ + peak 1552 HA GLU 22 - HG2 GLU 22 HA GLU 22 - HB3 GLU 77 Upper HB2 MET 21 - H LEU 23 3.41 10 0.11 0.46 + + + *+ ++ +++ peak 75 QE MET 21 - H LEU 23 HG2 GLU 22 - H LEU 23 H LEU 23 - HB3 GLU 25 H LEU 23 - HG3 GLU 33 H LEU 23 - HA ALA 75 H LEU 23 - HB3 GLU 77 Upper HB2 MET 21 - HA ALA 74 3.75 20 0.43 0.55 ++++++++++++++++++*+ peak 4231 QE MET 21 - HA ALA 74 HA ALA 74 - HA ALA 75 HA ALA 74 - HB3 GLU 77 Upper HB2 MET 21 - HG2 GLU 77 2.86 20 0.07 0.15 ++++++++*+++++++++++ peak 3278 HG3 GLU 33 - HG2 GLU 77 HB3 GLU 77 - HG2 GLU 77 Upper HB2 MET 21 - H LYS 78 3.36 14 0.09 0.24 + ++ ++ ++++ + +*++ peak 366 HG2 GLU 22 - H LYS 78 HA ALA 75 - H LYS 78 HB3 GLU 77 - H LYS 78 Upper HB2 MET 21 - QD1 LEU 79 3.62 7 0.06 0.29 *+ ++ + + + peak 5466 HB2 LEU 23 - QD1 LEU 79 HB2 GLN 55 - QD1 LEU 79 HG3 GLN 55 - QD1 LEU 79 HA ALA 75 - QD1 LEU 79 HG3 ARG 27 - QG2 VAL 66 HG LEU 34 - QG2 VAL 66 HB3 LYS 44 - QG2 VAL 66 HD2 LYS 56 - QG2 VAL 66 HD3 LYS 64 - QG2 VAL 66 Upper HB3 MET 21 - QE MET 21 2.72 8 0.02 0.12 + + * +++ ++ peak 1544 QE MET 21 - HG2 GLN 55 Upper HB3 MET 21 - H GLU 22 3.47 7 0.05 0.25 ++ + * ++ + peak 67 HB3 MET 21 - H LYS 56 HB3 MET 21 - H ASP 88 HB VAL 52 - H LYS 56 H GLU 22 - HG2 GLN 55 HG2 GLN 55 - H LYS 56 Upper HB3 MET 21 - H LYS 56 4.02 20 0.25 0.52 ++++++++++++*+++++++ peak 243 HB VAL 52 - H LYS 56 HG2 GLN 55 - H LYS 56 Upper HG2 MET 21 - H GLU 22 4.37 8 0.06 0.30 + +++ + + *+ peak 3844 HG2 MET 21 - H LYS 56 HG2 MET 21 - HE21 GLN 58 HG2 MET 21 - H ALA 86 HG2 MET 21 - H ASP 88 Upper HG3 MET 21 - H GLU 22 4.53 10 0.07 0.27 + +++ *++ + + + peak 3845 HG3 MET 21 - H LYS 56 HG3 MET 21 - HE21 GLN 58 HG3 MET 21 - H ALA 86 HG3 MET 21 - H ASP 88 Upper HG3 MET 21 - H GLU 25 3.26 6 0.02 0.09 +* + + ++ peak 602 H GLU 25 - HG3 GLU 25 H GLU 25 - HG3 GLU 77 Upper H GLU 22 - HG2 GLU 22 4.19 14 0.18 0.43 +++ *+++++ +++ + + peak 1566 Upper H GLU 22 - HG3 GLU 22 3.38 14 0.32 0.68 ++ ++++++ ++*+ + + peak 583 HG3 GLU 22 - H ASP 88 H GLU 22 - HB3 GLU 25 Upper HA GLU 22 - HG3 GLU 22 3.21 8 0.13 0.38 + +* +++ ++ peak 1553 HA GLU 22 - HB3 GLU 25 Upper HA GLU 22 - HG3 GLU 22 3.68 11 0.03 0.12 + + ++ ++ ++ +*+ peak 1573 HG3 GLU 22 - HA GLU 77 Upper HA GLU 22 - H LEU 23 3.51 20 0.05 0.06 ++++++++++++*+++++++ peak 72 Upper HA GLU 22 - H ALA 71 4.04 19 0.15 0.30 ++++++++++*++++++++ peak 1038 HA3 GLY 29 - H ALA 71 HA ALA 69 - H ALA 71 H ALA 71 - HA GLU 77 HA MET 21 - H GLU 25 H GLU 25 - HA ALA 74 Upper HA GLU 22 - QD1 LEU 73 3.22 18 0.30 0.56 ++++++++*+++ +++ +++ peak 3190 HA LEU 23 - QD1 LEU 73 HG2 LYS 26 - HA LEU 73 HA LEU 73 - QD1 LEU 73 QD1 LEU 73 - HA LEU 76 Upper HA GLU 22 - H ALA 75 3.77 18 0.13 0.26 ++++++++ ++++*++++ + peak 1083 HA LEU 23 - H ALA 75 HA LEU 73 - H ALA 75 H ALA 75 - HA LEU 76 Upper HA GLU 22 - HG2 GLU 77 3.29 20 0.28 0.33 ++++++++*+++++++++++ peak 3276 HG2 GLU 25 - HA GLU 77 HA GLU 77 - HG2 GLU 77 Upper HA GLU 22 - HG3 GLU 77 3.50 19 0.32 0.42 ++++*+++ +++++++++++ peak 3282 HA GLU 77 - HG3 GLU 77 Upper HB2 GLU 22 - HB2 SER 36 5.02 20 0.45 0.61 ++++++++++++*+++++++ peak 4756 HB3 GLU 33 - HB2 SER 36 HB2 SER 36 - HB2 GLU 37 HB2 SER 36 - HB3 GLU 37 HB2 SER 36 - HB2 LYS 44 HB2 SER 36 - HB2 GLU 49 HB2 SER 36 - HB VAL 66 HB2 SER 36 - HB3 PRO 84 Upper HB2 GLU 22 - HD21 ASN 63 3.67 12 0.04 0.14 +*+ +++ + + + +++ peak 5026 HB3 GLU 33 - HD21 ASN 63 HB2 LYS 44 - HD21 ASN 63 HD21 ASN 63 - HB VAL 66 H VAL 50 - HA GLN 58 Upper HB3 GLU 22 - HG2 GLU 22 2.94 15 0.04 0.07 *+ + ++++++ +++ +++ peak 1569 Upper HB3 GLU 22 - H LEU 34 3.06 10 0.08 0.23 * ++ + ++++ ++ peak 150 HB2 GLU 33 - H LEU 34 H LEU 34 - HB VAL 47 H LEU 34 - QE MET 48 H LEU 34 - HG3 GLU 49 H LEU 34 - HB2 GLU 51 H LEU 34 - HB2 GLU 77 Upper HB3 GLU 22 - HB2 LYS 78 2.86 20 0.58 0.74 ++++*+++++++++++++++ peak 3303 HG3 GLU 49 - HB2 LYS 78 HB2 LEU 76 - HB2 LYS 78 HB2 LYS 78 - HD2 LYS 78 HB2 LYS 78 - HG3 PRO 81 HB2 LYS 78 - HG3 PRO 84 Upper HG2 GLU 22 - H GLU 25 3.00 6 0.11 0.44 +* ++ ++ peak 600 HG3 GLU 22 - H GLU 25 H GLU 25 - HB3 GLU 25 H GLU 25 - HB3 GLU 77 Upper HG2 GLU 22 - H LYS 26 3.70 6 0.03 0.18 + ++ ++ * peak 93 HG3 GLU 22 - H LYS 26 HB3 GLU 25 - H LYS 26 H LYS 26 - HB3 GLU 77 Upper HG2 GLU 22 - H GLU 33 3.75 7 0.06 0.23 + +++ + + * peak 660 H GLU 33 - HG3 GLU 33 H GLU 33 - HB3 GLU 77 Upper HG2 GLU 22 - H LEU 34 3.81 8 0.11 0.46 + ++ + + +*+ peak 153 HG3 GLU 33 - H LEU 34 H LEU 34 - HA ALA 75 H LEU 34 - HB3 GLU 77 Upper HG2 GLU 22 - HB3 LYS 78 3.77 10 0.10 0.61 + + + *++ ++++ peak 4239 HG3 GLU 33 - HB3 LYS 78 HB2 GLN 55 - HB3 LYS 78 HG3 GLN 55 - HB3 LYS 78 HA ALA 75 - HB3 LYS 78 HB3 GLU 77 - HB3 LYS 78 Upper HG3 GLU 22 - H LEU 23 4.05 6 0.08 0.35 * + + + ++ peak 76 H LEU 23 - HB3 GLU 25 Upper H LEU 23 - HG LEU 23 4.23 19 0.24 0.36 +++ ++++++++++++*+++ peak 588 H LEU 23 - HG LEU 73 Upper H LEU 23 - QD1 LEU 23 3.69 17 0.18 0.48 +++*+++ +++ ++++ +++ peak 590 H LEU 23 - QD1 LEU 73 H LEU 23 - QD2 LEU 79 Upper H LEU 23 - QD2 LEU 23 3.42 20 0.58 0.69 ++++++*+++++++++++++ peak 589 H LEU 23 - HD3 LYS 26 H LEU 23 - HB3 LEU 30 H LEU 23 - QD1 LEU 85 H LEU 23 - QD1 LEU 87 Upper H LEU 23 - QG2 THR 38 3.80 6 0.02 0.15 *+ + + + + peak 3938 QG2 THR 38 - H GLY 39 QG2 THR 38 - H GLY 40 Upper HA LEU 23 - QD2 LEU 23 3.33 15 0.09 0.22 ++ + ++++ *+++++ ++ peak 1583 QD2 LEU 23 - HA LEU 73 HA LEU 23 - HD3 LYS 26 Upper HA LEU 23 - QD2 LEU 23 3.40 20 0.18 0.32 ++++++++++++++++++*+ peak 1607 QD2 LEU 23 - HA LEU 73 QD2 LEU 23 - HA LEU 76 Upper HA LEU 23 - HD2 LYS 26 2.99 7 0.12 0.74 ++ + *+ + + peak 3167 HD2 LYS 26 - HA LEU 73 HA LEU 23 - QD2 LEU 73 HA LEU 73 - QD2 LEU 73 HA LEU 73 - QB ALA 75 Upper HA LEU 23 - QD1 LEU 76 3.18 17 0.13 0.38 +++ +++*+ +++++++++ peak 3244 HA ALA 72 - QD1 LEU 76 HA LEU 76 - QD1 LEU 76 Upper HA LEU 23 - HB3 PHE 80 3.89 7 0.09 0.37 * ++ + +++ peak 5185 HA GLU 25 - HB3 PHE 80 HA ALA 71 - HB3 PHE 80 HA ALA 72 - HB3 PHE 80 HA LEU 76 - HB3 PHE 80 HB2 GLN 55 - HZ PHE 57 HB2 GLN 55 - HZ PHE 80 Upper HB2 LEU 23 - H LYS 26 3.82 7 0.09 0.37 ++ + +*+ + peak 92 HB2 GLU 25 - H LYS 26 H LYS 26 - HE3 LYS 68 Upper HG LEU 23 - H LEU 73 3.23 13 0.16 0.97 ++ + ++ +*+ +++ + + peak 858 HB2 LYS 68 - H LEU 73 H LEU 73 - HG LEU 73 H LEU 73 - HG LEU 85 H LEU 73 - HB2 LEU 87 H LEU 73 - HG LEU 87 Upper HG LEU 23 - H ALA 74 4.68 11 0.12 0.29 ++ + ++ + + *++ + peak 4069 HG LEU 73 - H ALA 74 Upper HG LEU 23 - H ALA 74 3.76 14 0.23 1.05 *+ +++++ + +++ +++ peak 347 HB2 LYS 68 - H ALA 74 HG LEU 73 - H ALA 74 H ALA 74 - HB3 LEU 85 H ALA 74 - HG LEU 85 H ALA 74 - HB2 LEU 87 H ALA 74 - HG LEU 87 Upper HG LEU 23 - H LEU 79 4.04 9 0.06 0.29 + ++ * +++ ++ peak 3640 HG LEU 85 - H LEU 87 H LEU 87 - HG LEU 87 Upper QD1 LEU 23 - HB3 ARG 27 3.89 9 0.07 0.33 ++*+ +++ + + peak 4544 HG2 LYS 26 - HB3 ARG 27 HB3 ARG 27 - QD1 LEU 30 HB3 ARG 27 - QD1 LEU 73 HB3 ARG 27 - QD2 LEU 79 Upper QD1 LEU 23 - H LEU 30 3.54 17 0.13 0.32 ++ ++++++++++* ++++ peak 637 HG2 LYS 26 - H LEU 30 H MET 11 - QD1 LEU 30 H LEU 30 - QD1 LEU 30 H LEU 30 - QD1 LEU 73 H LEU 30 - QD2 LEU 79 Upper QD1 LEU 23 - H ALA 69 4.52 19 0.39 0.55 ++++++++++++++++ ++* peak 323 HG3 LYS 68 - H ALA 69 H ALA 69 - QD2 LEU 79 Upper QD1 LEU 23 - H ALA 74 4.30 12 0.07 0.21 ++ + +* + + +++ ++ peak 348 QD1 LEU 73 - H ALA 74 Upper QD1 LEU 23 - HG3 LYS 78 3.56 7 0.07 0.42 + + + +++* peak 5815 QD1 LEU 30 - HG3 LYS 78 QD1 LEU 73 - HG3 LYS 78 HG3 LYS 78 - QD2 LEU 79 Upper QD1 LEU 23 - H PHE 80 4.04 8 0.04 0.21 +++ + + + *+ peak 385 QD1 LEU 30 - H PHE 80 HG3 LYS 68 - H PHE 80 QD1 LEU 73 - H PHE 80 QD2 LEU 79 - H PHE 80 Upper QD2 LEU 23 - H ASN 24 4.10 13 0.14 0.37 ++ + ++ + *++++ + + peak 82 H ASN 24 - HD3 LYS 26 H ASN 24 - HB3 LEU 30 Upper QD2 LEU 23 - H LEU 79 3.89 19 0.14 0.31 ++++++ +*+++++++++++ peak 4825 HD3 LYS 26 - H LEU 79 HB3 LEU 30 - H LEU 79 QG2 VAL 52 - H LEU 79 QD1 LEU 76 - H LEU 79 H LEU 79 - QD1 LEU 85 H LEU 79 - QD1 LEU 87 HD3 ARG 27 - H VAL 47 HB3 SER 36 - H VAL 47 HB3 SER 36 - H GLN 58 Upper H ASN 24 - HB2 ASN 24 3.09 18 0.10 0.25 ++++++++ +++++++ *++ peak 593 H ASN 24 - HB2 ASN 63 H ASN 24 - HB3 PHE 80 Upper H ASN 24 - HD22 ASN 24 5.28 12 0.05 0.19 +++ +++ *++ + + + peak 452 Upper HA ASN 24 - HD22 ASN 63 4.98 12 0.09 0.24 ++++ + ++ +++ *+ peak 465 HA ASN 63 - HD22 ASN 63 Upper HB2 ASN 24 - HD22 ASN 24 3.68 19 0.08 0.14 ++++++++++++++++*+ + peak 454 HD22 ASN 24 - HB2 ASN 63 Upper HB2 ASN 24 - H PHE 80 3.51 9 0.11 0.38 + *++ + ++++ peak 900 HB2 ASN 63 - H PHE 80 HE2 LYS 65 - H PHE 80 HE3 LYS 65 - H PHE 80 H PHE 80 - HB3 PHE 80 Upper HD21 ASN 24 - QD2 LEU 76 4.11 7 0.03 0.12 + + ++++ * peak 4649 H LYS 65 - QD2 LEU 76 QD2 LEU 76 - H PHE 80 H GLU 33 - QG2 VAL 50 Upper H GLU 25 - HB2 GLU 25 3.56 11 0.03 0.09 +++++ ++*++ + peak 1644 HB2 GLU 25 - H ALA 75 Upper H GLU 25 - HG2 GLU 25 3.44 10 0.20 0.50 + +++*++ + + + peak 601 H GLU 25 - HE2 LYS 68 H GLU 25 - HG2 GLU 77 Upper H GLU 25 - HG2 GLU 25 3.73 9 0.05 0.21 + +++* + + + + peak 1656 H GLU 25 - HG2 GLU 77 HG2 GLU 25 - H ALA 75 Upper H GLU 25 - HB3 LEU 76 5.70 19 0.19 0.30 ++++ +*+++++++++++++ peak 5777 QE PHE 46 - HB3 LEU 76 H ALA 75 - HB3 LEU 76 Upper HA GLU 25 - HG2 GLU 25 3.26 14 0.14 0.45 ++ +++++++ + *++ + peak 1642 HA GLU 25 - HE2 LYS 68 HA GLU 25 - HG2 GLU 77 Upper HA GLU 25 - HG3 GLU 25 3.81 9 0.03 0.17 + ++++*+ + + peak 1663 Upper HA GLU 25 - HG3 GLU 25 3.66 13 0.12 0.32 ++ ++++*+ + +++ + peak 1643 HA GLU 25 - HG3 GLU 77 Upper HB2 GLU 25 - HE2 LYS 26 5.39 12 0.14 0.42 *+ +++ +++ + + + + peak 4529 HB2 GLU 25 - HE3 LYS 26 HE2 LYS 26 - HE3 LYS 68 HE3 LYS 26 - HE3 LYS 68 Upper HB3 GLU 25 - HG2 GLU 25 2.80 11 0.07 0.21 + + + ++++*+ + + peak 1659 HB3 GLU 25 - HG2 GLU 77 HG2 GLU 25 - HB3 GLU 77 Upper HB3 GLU 25 - H LYS 26 4.23 7 0.02 0.14 + *+ +++ + peak 3863 Upper HG2 GLU 25 - H LYS 26 4.69 7 0.04 0.17 ++ + + + *+ peak 94 H LYS 26 - HE2 LYS 68 H LYS 26 - HG2 GLU 77 Upper HG2 GLU 25 - H LEU 34 4.13 13 0.24 0.46 + +++ + +*++ ++ + + peak 152 HG2 GLU 33 - H LEU 34 H LEU 34 - HE2 LYS 68 H LEU 34 - HG2 GLU 77 Upper HG2 GLU 25 - QD2 LEU 73 4.13 9 0.03 0.13 * ++++ + ++ + peak 1051 HE2 LYS 68 - QD2 LEU 73 QD2 LEU 73 - HG2 GLU 77 HA LYS 64 - H LYS 68 Upper HG2 GLU 25 - HA GLU 77 3.45 20 0.12 0.17 ++++++++*+++++++++++ peak 3261 HA GLU 77 - HG2 GLU 77 Upper HG3 GLU 25 - H LYS 26 4.81 7 0.03 0.16 *+ + + + ++ peak 95 H LYS 26 - HG3 GLU 77 Upper HG3 GLU 25 - HG2 LYS 26 4.18 7 0.03 0.14 + + + + * ++ peak 6103 HG3 GLU 25 - QD1 LEU 73 QD1 LEU 73 - HG3 GLU 77 Upper H LYS 26 - HB2 LYS 26 3.54 18 0.04 0.06 ++++++ *++++++ +++++ peak 605 Upper H LYS 26 - HB2 ARG 27 4.79 14 0.08 0.39 ++*+ +++ ++++ + + + peak 4527 H LYS 26 - HB2 LYS 31 H LYS 26 - HB2 LYS 44 H LYS 26 - HB2 MET 48 H LYS 26 - QB ALA 74 H LYS 26 - HG LEU 76 H LYS 26 - HB2 LYS 91 Upper HA LYS 26 - HG2 LYS 26 3.78 13 0.05 0.14 +++++++ * + ++ ++ peak 1672 Upper HA LYS 26 - HD3 LYS 26 3.46 10 0.11 0.32 ++ +* ++ + + + + peak 1675 HA LYS 26 - HB3 LEU 30 HA LYS 26 - QD1 LEU 85 HA LYS 26 - QD1 LEU 87 Upper HB2 LYS 26 - H ARG 27 3.75 17 0.10 0.20 ++++++ ++++++ ++*++ peak 98 H ARG 27 - HG3 LYS 31 Upper HB2 LYS 26 - HA2 GLY 59 4.59 12 0.07 0.14 +*++++ +++ +++ peak 5323 HG3 ARG 45 - HA2 GLY 59 HB VAL 50 - HA2 GLY 59 HA2 GLY 59 - QB ALA 60 Upper HB2 LYS 26 - H LYS 68 3.18 19 0.25 0.38 +++ ++++*+++++++++++ peak 832 HD3 LYS 44 - H LYS 68 HG3 LYS 56 - H LYS 68 QB ALA 60 - H LYS 68 HG3 LYS 65 - H LYS 68 H LYS 68 - HB3 LYS 68 Upper HB3 LYS 26 - H LYS 44 3.45 11 0.07 0.15 +++ * +++ + ++ + peak 702 HG LEU 34 - H LYS 44 H LYS 44 - HB3 LYS 44 H LYS 44 - HD2 LYS 56 H LYS 44 - HD3 LYS 64 Upper HB3 LYS 26 - H MET 48 3.60 6 0.02 0.15 +++ + * + peak 4689 HG LEU 34 - H MET 48 HG2 GLU 37 - H MET 48 H MET 48 - QB ALA 71 HG2 LYS 17 - QE PHE 46 QD1 LEU 34 - QE PHE 46 QD1 LEU 34 - HZ PHE 46 QD1 LEU 34 - QD TYR 70 Upper HG2 LYS 26 - HD2 ARG 27 4.96 11 0.07 0.26 +* + + +++ + ++ + peak 4551 HD2 ARG 27 - QD1 LEU 30 HD2 ARG 27 - QD1 LEU 73 Upper HD3 LYS 26 - H ARG 27 4.05 6 0.04 0.27 + + + +*+ peak 103 H ARG 27 - HB3 LEU 30 H ARG 27 - QD2 LEU 30 H ARG 27 - QD1 LEU 87 Upper HE2 LYS 26 - HB2 LYS 68 3.40 11 0.09 0.28 + + + + +++ *+ + + peak 6151 HE3 LYS 26 - HB2 LYS 68 HB2 TYR 32 - HB2 LYS 68 HG2 MET 48 - HB2 LYS 68 HA THR 13 - QG2 ILE 35 HA THR 13 - QD2 LEU 73 Upper HE2 LYS 26 - HB2 PHE 80 3.84 8 0.03 0.12 ++ + * + +++ peak 4190 HE3 LYS 26 - HB2 PHE 80 HB3 PHE 46 - HB2 PHE 80 HG2 MET 48 - HB2 PHE 80 HB2 HIS 15 - HA ALA 67 HA ALA 67 - HB3 TYR 70 Upper HE2 LYS 26 - HB2 PHE 80 3.87 11 0.04 0.20 ++++ + + ++* ++ peak 4688 HE3 LYS 26 - HB2 PHE 80 QG2 VAL 66 - QE TYR 70 Upper H ARG 27 - HB3 ARG 27 3.64 12 0.07 0.21 + *+ ++ + ++++ + + peak 616 H ARG 27 - HB2 LEU 30 H ARG 27 - HB3 LYS 31 Upper H ARG 27 - HG2 ARG 27 4.02 8 0.06 0.40 + +++ + ++ * peak 617 H ARG 27 - HG2 LYS 31 Upper H ARG 27 - HG3 ARG 27 4.48 9 0.10 0.40 + + *++ + + + + peak 1790 HG3 ARG 27 - H ALA 71 Upper H ARG 27 - HD2 ARG 27 5.26 8 0.03 0.15 + + + * + +++ peak 619 Upper H ARG 27 - HD3 ARG 27 4.93 9 0.07 0.32 + + *+ + + + + + peak 620 H ARG 27 - HB3 SER 36 Upper H ARG 27 - H ARG 28 3.97 20 0.33 0.46 ++++++++*+++++++++++ peak 965 H ARG 27 - H TYR 70 H ARG 27 - H ALA 72 Upper H ARG 27 - H ARG 28 3.94 20 0.36 0.50 ++++++++*+++++++++++ peak 106 H ARG 28 - H ALA 71 Upper H ARG 27 - HA ARG 28 4.47 20 0.31 0.48 ++++++++++++++*+++++ peak 4556 H ARG 27 - HA TYR 70 Upper H ARG 27 - QD2 LEU 30 2.97 6 0.01 0.08 +++ ++* peak 4864 QD2 LEU 30 - H LYS 56 QD2 LEU 30 - H LEU 79 QD2 LEU 30 - H LEU 87 QE MET 48 - HB3 LYS 64 QE MET 48 - HD2 LYS 64 QE MET 48 - HG2 LYS 65 QE MET 48 - HB3 LEU 76 QE MET 48 - HG3 LYS 78 Upper HB2 ARG 27 - H ARG 28 2.74 7 0.05 0.24 + + + + + *+ peak 624 H ARG 28 - HB2 ARG 28 H ARG 28 - HB3 ARG 28 H ARG 28 - HB2 LEU 73 Upper HB2 ARG 27 - H LYS 31 3.32 20 0.41 0.47 *+++++++++++++++++++ peak 641 H LYS 31 - HB2 LYS 31 Upper HB2 ARG 27 - QD TYR 32 4.05 8 0.06 0.34 +*+ ++++ + peak 4606 HB2 LYS 31 - QD TYR 32 QD TYR 32 - HB2 MET 48 Upper HB2 ARG 27 - H ALA 71 4.05 8 0.06 0.37 ++ + ++* + + peak 4459 HB2 ARG 28 - H ALA 71 HB3 ARG 28 - H ALA 71 H ALA 71 - HB2 LEU 73 H ALA 71 - QB ALA 74 HG2 LYS 14 - HG3 GLU 22 HG2 LYS 17 - HG3 GLU 22 HG3 GLU 22 - HG3 LYS 26 HG3 GLU 22 - QD1 LEU 34 HG3 GLU 22 - QG2 THR 83 Upper HB3 ARG 27 - H ARG 28 2.97 6 0.13 0.72 + ++ + * + peak 109 H ARG 28 - HB2 LEU 30 H ARG 28 - HB3 LYS 31 H ARG 28 - HB3 LEU 73 Upper HB3 ARG 27 - H LEU 30 3.12 8 0.11 0.30 + +* +++ + + peak 634 HG3 ARG 28 - H LEU 30 H LEU 30 - HB2 LEU 30 H LEU 30 - HB3 LYS 31 H LEU 30 - HB3 GLU 51 H LEU 30 - HB3 LEU 73 Upper HB3 ARG 27 - QG1 VAL 52 3.23 6 0.03 0.15 +*+ ++ + peak 4586 HB3 ARG 27 - QG2 VAL 52 QD2 LEU 30 - QG2 VAL 50 Upper HB3 ARG 27 - HG2 LYS 56 3.90 7 0.04 0.22 *+ + + + ++ peak 4764 HB3 GLU 51 - HG2 LYS 56 HG3 LYS 14 - HB3 SER 36 HB3 SER 36 - QG2 THR 38 HB3 SER 36 - HG2 LYS 56 HB3 SER 36 - QG1 VAL 66 Upper HB3 ARG 27 - H LEU 79 4.33 10 0.17 0.44 ++ + ++ * ++++ peak 373 HB2 LEU 30 - H LEU 79 HB3 GLU 51 - H LEU 79 HG2 LYS 78 - H LEU 79 Upper HG2 ARG 27 - H LYS 31 3.98 20 0.47 0.51 +++++++*++++++++++++ peak 643 H LYS 31 - HG2 LYS 31 Upper HG3 ARG 27 - H ARG 28 4.24 6 0.05 0.34 ++* + + + peak 111 H ARG 28 - QB ALA 71 Upper HG3 ARG 27 - H LYS 31 4.50 18 0.18 0.30 +++++++++++++* ++++ peak 129 HG LEU 30 - H LYS 31 H LYS 31 - HB3 LEU 87 Upper HG3 ARG 27 - H VAL 66 3.79 12 0.08 0.27 + *+++ +++ ++ + + peak 417 HG LEU 30 - H ASP 88 HD3 LYS 64 - H VAL 66 HB2 LEU 85 - H ASP 88 HB3 LEU 87 - H ASP 88 Upper HD2 ARG 27 - QD2 LEU 76 3.78 6 0.05 0.29 + ++ + +* peak 4279 HB2 PHE 57 - QD2 LEU 76 QD2 LEU 76 - HB2 PHE 80 QD2 LEU 76 - HD3 PRO 81 HB THR 13 - HD2 LYS 26 HB THR 13 - QG2 VAL 47 HB THR 13 - QD2 LEU 73 Upper HD3 ARG 27 - H ARG 28 4.02 6 0.07 0.42 * ++ + ++ peak 113 H ARG 28 - HB3 SER 36 H ARG 28 - HA VAL 66 Upper HD3 ARG 27 - QG2 ILE 35 4.20 20 0.37 0.67 ++++++++++++++++*+++ peak 4739 QG2 ILE 35 - HB3 SER 36 QG2 ILE 35 - HA VAL 66 Upper HE ARG 27 - QD1 LEU 30 4.27 9 0.06 0.21 + +*++ + + ++ peak 6108 QD1 LEU 30 - H VAL 50 QD1 LEU 30 - H ASP 53 HB2 LYS 26 - QB ALA 75 HG3 LYS 31 - QB ALA 75 HB VAL 50 - QB ALA 75 QB ALA 60 - QB ALA 75 Upper H ARG 28 - H GLY 29 4.33 7 0.06 0.22 *+ ++ + + + peak 966 H ARG 28 - H LEU 73 Upper H ARG 28 - QD TYR 32 4.35 19 0.14 0.28 ++++++++*++++++++ ++ peak 5915 QD TYR 32 - H TYR 70 QD TYR 32 - H ALA 72 H MET 11 - HA PRO 81 H LEU 30 - HA PRO 81 H ALA 71 - HA PRO 81 Upper H ARG 28 - H THR 38 4.07 20 0.15 0.38 ++++++*+++++++++++++ peak 976 H THR 38 - H GLY 39 H THR 38 - H GLY 40 Upper H ARG 28 - HB2 LEU 73 5.46 6 0.04 0.19 ++ + * + + peak 5700 H TYR 70 - HB2 LEU 73 H ALA 72 - HB2 LEU 73 Upper H ARG 28 - H ALA 74 3.06 20 0.52 0.62 *+++++++++++++++++++ peak 1084 H TYR 70 - H ALA 74 H ALA 72 - H ALA 74 H GLY 29 - H ALA 75 H LEU 73 - H ALA 75 Upper HA ARG 28 - HG2 ARG 28 3.37 17 0.04 0.07 +++++++ +++++ ++++* peak 1819 HA ARG 28 - HG3 ARG 28 HA ARG 28 - HB3 LEU 73 Upper HA ARG 28 - HD2 ARG 28 4.17 9 0.05 0.23 ++ + ++*+ ++ peak 1855 HD2 ARG 28 - HA TYR 70 Upper HA ARG 28 - H GLY 29 2.95 6 0.05 0.48 + + + * ++ peak 115 H GLY 29 - HA TYR 70 H GLY 29 - HA PRO 81 Upper HA ARG 28 - HA2 GLY 29 4.24 20 0.24 0.41 +++++++++++++*++++++ peak 4559 Upper HA ARG 28 - HA3 GLY 29 4.50 11 0.16 0.50 +++ + + ++++ *+ peak 4577 HA3 GLY 29 - HA TYR 70 HA3 GLY 29 - HA PRO 81 Upper HA ARG 28 - HB3 LYS 56 5.15 20 0.49 0.54 ++++*+++++++++++++++ peak 5224 HA GLN 55 - HB3 LYS 56 HB3 LYS 56 - HA TYR 70 HB3 LYS 56 - HA PRO 81 Upper HA ARG 28 - H ALA 72 4.16 7 0.03 0.16 + ++ +* + + peak 4309 HA TYR 70 - H ALA 72 HB3 LEU 12 - HA3 GLY 16 HA3 GLY 16 - HB2 LYS 64 HA3 GLY 16 - HG2 LYS 68 Upper HA ARG 28 - HB2 LEU 73 3.65 10 0.06 0.30 +*+ + + ++ + ++ peak 4154 HA GLN 55 - HB2 LEU 73 HA TYR 70 - HB2 LEU 73 HB2 LEU 73 - HA PRO 81 HA VAL 20 - H ASN 24 Upper HA ARG 28 - H ALA 74 4.06 8 0.07 0.30 + + *++ ++ + peak 4359 HA TYR 70 - H ALA 74 QG2 THR 13 - HD3 PRO 19 HG3 LYS 14 - HD3 PRO 19 HD3 PRO 19 - QG2 THR 38 HD3 PRO 19 - QG1 VAL 66 QG1 VAL 66 - HD2 PRO 84 Upper HB2 ARG 28 - H GLY 29 3.43 6 0.14 0.57 * + + + ++ peak 117 HB3 ARG 28 - H GLY 29 H GLY 29 - HB2 LEU 73 Upper HB2 ARG 28 - H GLY 29 3.43 6 0.14 0.57 * + + + ++ peak 116 HB3 ARG 28 - H GLY 29 Upper HB2 ARG 28 - HA3 GLY 29 4.54 6 0.08 0.45 + * + + ++ peak 4572 HB3 ARG 28 - HA3 GLY 29 Upper HB3 ARG 28 - H LEU 73 3.19 19 0.13 0.26 +++++*++++ +++++++++ peak 856 H LEU 73 - HB2 LEU 73 H LEU 73 - QB ALA 74 Upper HG2 ARG 28 - HA2 GLY 29 4.70 9 0.05 0.14 + ++* +++ ++ peak 4562 HG3 ARG 28 - HA2 GLY 29 Upper HG2 ARG 28 - HA2 GLY 29 4.75 8 0.02 0.09 + + * +++ ++ peak 4570 HG3 ARG 28 - HA2 GLY 29 HA2 GLY 29 - HB3 LEU 73 Upper HG2 ARG 28 - HE2 LYS 31 4.24 17 0.25 0.47 ++++++++ +++ +++ +*+ peak 5460 HG3 ARG 28 - HE2 LYS 31 HG2 ARG 28 - HE3 LYS 31 HG3 ARG 28 - HE3 LYS 31 HG2 ARG 28 - HB2 TYR 70 HG3 ARG 28 - HB2 TYR 70 HG2 ARG 28 - HE2 LYS 91 HG3 ARG 28 - HE2 LYS 91 HG2 ARG 28 - HE3 LYS 91 HG3 ARG 28 - HE3 LYS 91 QD1 LEU 12 - HA VAL 66 QG1 VAL 20 - HA VAL 66 QG2 VAL 20 - HA VAL 66 HG3 LYS 64 - HA VAL 66 HA VAL 66 - QD2 LEU 76 HA VAL 66 - QD1 LEU 79 Upper HG2 ARG 28 - H ALA 72 4.40 6 0.06 0.41 ++ + * + + peak 5665 HG3 ARG 28 - H ALA 72 H ALA 72 - HB3 LEU 73 Upper HG2 ARG 28 - HG LEU 73 2.50 15 0.15 0.46 +++++ ++ +*+++++ + peak 3185 HG3 ARG 28 - HG LEU 73 HB2 LEU 30 - HG LEU 87 HG LEU 23 - HB3 LEU 73 HB3 LEU 73 - HG LEU 73 HB3 LEU 73 - HG LEU 87 Upper HG2 ARG 28 - H ALA 75 3.64 14 0.14 0.30 ++ ++++++ + +++ +* peak 5707 HG3 ARG 28 - H ALA 75 HB3 LEU 73 - H ALA 75 QE PHE 46 - QD2 LEU 73 HZ PHE 46 - QD2 LEU 73 QD TYR 70 - QD2 LEU 73 Upper H GLY 29 - QB ALA 71 4.29 12 0.07 0.45 ++ + + ++ ++*+++ peak 4246 QB ALA 71 - H LEU 73 QE MET 11 - QD TYR 70 Upper H GLY 29 - QB ALA 71 3.95 10 0.14 0.48 + +++++* ++ + peak 4374 QB ALA 71 - H LEU 73 QG2 THR 13 - HG3 PRO 19 HG3 LYS 14 - HG3 PRO 19 HG3 PRO 19 - QG2 THR 38 HG3 PRO 19 - HG2 LYS 56 HG3 PRO 19 - QG1 VAL 66 Upper H GLY 29 - QD2 LEU 73 4.24 11 0.06 0.14 *+ + ++ + + +++ + peak 3196 H LEU 73 - QD2 LEU 73 Upper H LEU 30 - H LYS 31 4.28 20 0.22 0.28 ++*+++++++++++++++++ peak 968 H LEU 30 - H THR 38 Upper H LEU 30 - H LYS 31 4.31 20 0.19 0.25 ++*+++++++++++++++++ peak 125 Upper HA LEU 30 - H LYS 31 2.65 11 0.03 0.07 + *+ ++++ ++++ peak 126 H LYS 31 - HA ASP 53 H LYS 31 - HA LEU 87 Upper HA LEU 30 - HB2 LYS 31 4.65 9 0.02 0.09 *+ ++ + ++ + + peak 4599 HB2 LYS 31 - HA ASP 53 HB2 LYS 31 - HA LYS 78 HB2 LYS 31 - HA LEU 87 Upper HA LEU 30 - HA VAL 52 2.40 20 0.68 0.89 ++*+++++++++++++++++ peak 6131 HA VAL 52 - HA ASP 53 HA LEU 85 - HA LEU 87 HA ALA 86 - HA LEU 87 Upper HA LEU 30 - HA VAL 52 2.94 20 0.21 0.47 ++*+++++++++++++++++ peak 6130 HA VAL 52 - HA ASP 53 Upper HA LEU 30 - H GLY 54 3.00 7 0.03 0.22 + + + + +* + peak 233 HA ASP 53 - H GLY 54 Upper HA LEU 30 - H ASP 88 2.95 9 0.09 0.36 + + ++* ++ ++ peak 415 HA LYS 78 - H ASP 88 HA LEU 85 - H ASP 88 HA LEU 87 - H ASP 88 H ASP 88 - HA ALA 89 Upper HB2 LEU 30 - H LYS 78 4.15 17 0.24 0.43 ++++++++ + +++ ++++* peak 884 H LYS 78 - HG2 LYS 78 Upper HB3 LEU 30 - HB2 LYS 31 4.76 19 0.27 0.40 +++*++++++++++ +++++ peak 4603 QD2 LEU 30 - HB2 LYS 31 HB2 LYS 31 - QB ALA 75 Upper QD2 LEU 30 - H LYS 31 3.47 19 0.36 0.52 +++++++++*++++ +++++ peak 3896 QD2 LEU 30 - H THR 38 Upper QD2 LEU 30 - QB ALA 89 3.53 8 0.03 0.21 ++ *+ ++ ++ peak 5963 QD2 LEU 85 - QB ALA 86 QB ALA 86 - QD2 LEU 87 Upper H LYS 31 - HB2 LYS 31 3.43 20 0.31 0.37 *+++++++++++++++++++ peak 1928 HB2 LYS 31 - H THR 38 Upper H LYS 31 - HG2 LYS 31 4.29 20 0.18 0.22 +*++++++++++++++++++ peak 1948 HG2 LYS 31 - H THR 38 Upper H LYS 31 - HG3 LYS 31 4.22 20 0.34 0.50 +++++++++++++++++*++ peak 1958 HG3 LYS 31 - H THR 38 Upper H LYS 31 - HD2 LYS 31 4.90 20 0.28 0.32 +++++++++++++*++++++ peak 1978 H LYS 31 - HD3 LYS 31 HD2 LYS 31 - H THR 38 HD3 LYS 31 - H THR 38 Upper HA LYS 31 - HG3 LYS 31 3.75 9 0.02 0.04 * +++ + + +++ peak 1923 Upper HB2 LYS 31 - H TYR 32 3.60 20 0.29 0.38 ++++++++++++*+++++++ peak 134 H TYR 32 - HB2 MET 48 Upper HB2 LYS 31 - HA TYR 32 4.24 11 0.08 0.26 + *+ + ++++ +++ peak 4611 HA TYR 32 - HB3 GLU 33 HA TYR 32 - HB2 MET 48 Upper HB2 LYS 31 - H GLU 33 3.14 13 0.05 0.17 + + ++ +++*+++ ++ peak 658 H GLU 33 - HB3 GLU 33 H GLU 33 - HB2 LYS 44 H GLU 33 - HB2 MET 48 H GLU 33 - HG2 GLU 51 H GLU 33 - HG3 GLU 51 H GLU 33 - HG LEU 76 Upper HB3 LYS 31 - H TYR 32 3.64 15 0.04 0.10 + ++ +* ++++++++ ++ peak 139 HD2 LYS 31 - H TYR 32 HD3 LYS 31 - H TYR 32 Upper HB3 LYS 31 - H TYR 32 3.72 17 0.05 0.12 ++++ +* +++++++++ ++ peak 135 HD3 LYS 31 - H TYR 32 Upper HB3 LYS 31 - H TYR 32 4.20 18 0.07 0.13 ++ ++*+++++++++++++ peak 3899 Upper HG2 LYS 31 - HA LYS 44 3.51 6 0.04 0.24 * + + + + + peak 2252 HB3 LEU 34 - HA LYS 44 HA LYS 44 - HD2 LYS 44 HA LYS 44 - HD3 LYS 56 HA LYS 44 - HB3 LYS 64 Upper HG3 LYS 31 - HG2 GLU 33 3.32 9 0.04 0.14 + ++++ +++* peak 6027 HG2 GLU 33 - HD3 LYS 44 HG2 GLU 33 - HG3 LYS 56 HG2 GLU 33 - HB3 LYS 68 QG2 THR 13 - HB2 PRO 19 HB2 PRO 19 - QG2 THR 38 HB2 PRO 19 - QG1 VAL 66 QG2 THR 13 - HB3 PRO 19 HB3 PRO 19 - QG2 THR 38 HB3 PRO 19 - QG1 VAL 66 QG2 THR 13 - HG2 PRO 19 HG2 PRO 19 - QG2 THR 38 HG2 PRO 19 - QG1 VAL 66 Upper H TYR 32 - HB3 TYR 32 3.66 20 0.05 0.09 +++++++++++*++++++++ peak 2020 Upper H TYR 32 - QE TYR 32 4.17 20 0.30 0.38 +++++++++*++++++++++ peak 653 Upper H TYR 32 - H GLU 33 4.27 20 0.15 0.22 +++++++++++++*++++++ peak 970 H TYR 32 - H GLU 49 Upper H TYR 32 - HB2 GLU 33 4.81 14 0.13 0.32 ++++++ ++ +*+ ++ + peak 4607 H TYR 32 - QE MET 48 Upper HB2 TYR 32 - H GLU 33 3.94 14 0.07 0.17 +++++ +++++* ++ + peak 144 H GLU 33 - HG2 MET 48 Upper HB2 TYR 32 - H GLU 49 4.57 20 0.21 0.39 +++++++++++++++*++++ peak 207 HG2 MET 48 - H GLU 49 Upper QD TYR 32 - H GLU 33 4.30 11 0.04 0.18 + *+ ++ +++ ++ + peak 147 Upper QD TYR 32 - HA VAL 50 4.23 7 0.04 0.21 + + +*++ + peak 4304 HB3 LEU 12 - HA2 GLY 16 HA2 GLY 16 - HB2 LYS 64 HA2 GLY 16 - HG2 LYS 68 Upper QE TYR 32 - HD2 LYS 68 4.06 17 0.10 0.23 ++++++ +++ +++++ +*+ peak 4784 QE TYR 32 - HD3 LYS 68 HA THR 13 - H THR 38 H THR 38 - HA LYS 44 H THR 38 - HA ARG 45 Upper QE TYR 32 - HD2 LYS 68 4.35 17 0.18 0.33 +++ ++ *++++++++ +++ peak 4604 QE TYR 32 - HD3 LYS 68 HB2 LYS 31 - QG2 VAL 50 Upper H GLU 33 - HB2 GLU 33 3.54 8 0.08 0.29 * + + ++ + ++ peak 2044 HB2 GLU 33 - H GLU 49 Upper H GLU 33 - HB3 GLU 33 3.40 12 0.13 0.41 + ++ +++++++ *+ peak 2050 HB3 GLU 33 - H GLU 49 Upper H GLU 33 - HG2 GLU 33 4.21 6 0.03 0.28 + + + + * + peak 659 H GLU 33 - HE2 LYS 68 Upper H GLU 33 - HG2 GLU 33 4.00 8 0.10 0.43 + +++ + + * + peak 2056 HG2 GLU 33 - H GLU 49 Upper H GLU 33 - QG2 ILE 35 3.64 19 0.12 0.30 ++*+++++++++++++ +++ peak 5336 QG2 ILE 35 - H GLU 49 HA GLU 49 - H GLY 59 Upper H GLU 33 - QG2 ILE 35 3.90 15 0.12 0.30 +*+ + ++++++++++ + peak 4149 QG2 ILE 35 - H GLU 49 HA VAL 20 - H LEU 23 HA VAL 20 - H GLY 40 HA VAL 20 - H ASN 90 Upper H GLU 33 - HG12 ILE 35 3.50 6 0.06 0.39 + ++ + + * peak 4654 HG12 ILE 35 - H GLU 49 HB2 GLU 33 - QG2 ILE 35 HB2 GLU 33 - QG1 VAL 47 HB2 GLU 33 - QG2 VAL 47 HB2 GLU 33 - HG3 LYS 68 HB2 GLU 33 - QD2 LEU 73 Upper HA GLU 33 - HG2 GLU 33 3.87 7 0.04 0.26 + +* + + + + peak 2057 Upper HB2 GLU 33 - HG3 GLU 33 2.91 6 0.02 0.08 + + + *++ peak 2064 Upper HB2 GLU 33 - HG3 GLU 33 2.86 10 0.04 0.13 ++++ + ++ *++ peak 2049 HB2 GLU 33 - HB3 GLU 77 Upper HB2 GLU 33 - HG12 ILE 35 3.62 9 0.04 0.16 *+ + + ++ +++ peak 5169 HG12 ILE 35 - HB VAL 47 HG12 ILE 35 - HG3 GLU 49 HG12 ILE 35 - HB2 GLN 58 HG12 ILE 35 - HG3 PRO 84 QD1 LEU 12 - H GLN 55 QG1 VAL 20 - H GLN 55 QG2 VAL 20 - H GLN 55 HG2 LYS 26 - H GLN 55 QD1 LEU 30 - H GLN 55 H GLN 55 - QD1 LEU 73 H GLN 55 - QD1 LEU 79 Upper HB2 GLU 33 - HG12 ILE 35 3.76 8 0.04 0.24 + + +++* + + peak 4290 HG12 ILE 35 - HB VAL 47 HG12 ILE 35 - HG3 GLU 49 HG12 ILE 35 - HB2 GLN 58 HG12 ILE 35 - HG3 PRO 84 HB2 HIS 15 - H LYS 17 HB2 HIS 15 - H VAL 20 Upper HB3 GLU 33 - H MET 48 3.40 16 0.28 0.47 +*++++++++++++ ++ peak 716 HB2 GLU 37 - H MET 48 HG3 GLU 37 - H MET 48 H MET 48 - HB2 MET 48 H MET 48 - HB2 LYS 65 H MET 48 - HG LEU 76 Upper HB3 GLU 33 - H GLU 77 4.24 15 0.18 0.39 +++++++ ++ +++*+ + peak 360 HB2 MET 48 - H GLU 77 HG2 GLU 51 - H GLU 77 HG3 GLU 51 - H GLU 77 HB2 LYS 65 - H GLU 77 HG LEU 76 - H GLU 77 H GLU 77 - HD3 LYS 78 Upper HG2 GLU 33 - QG2 ILE 35 3.52 17 0.12 0.23 ++++++ + +++*+++++ + peak 1035 HG2 GLU 33 - QG1 VAL 47 HG2 GLU 33 - QG2 VAL 47 HG2 GLU 33 - HG3 LYS 68 HA LEU 23 - H GLU 25 H GLU 25 - HA ALA 72 H GLU 25 - HA LEU 73 H GLU 25 - HA LEU 76 Upper H LEU 34 - HG LEU 34 3.87 20 0.53 0.62 ++++++++*+++++++++++ peak 665 H LEU 34 - HB2 LYS 56 H LEU 34 - HD2 LYS 56 Upper H LEU 34 - QD1 LEU 34 4.06 18 0.19 0.32 ++++++++++++*++++ + peak 667 H LEU 34 - HG13 ILE 35 Upper H LEU 34 - QD2 LEU 34 4.18 9 0.04 0.17 +++ * + + + ++ peak 2096 QD2 LEU 34 - H PHE 57 Upper H LEU 34 - QD2 LEU 34 3.91 20 0.29 0.43 +++++*++++++++++++++ peak 666 H LEU 34 - HG2 LYS 56 Upper H LEU 34 - QG2 ILE 35 5.02 20 0.55 0.67 ++++++*+++++++++++++ peak 4681 H LEU 34 - QG1 VAL 47 Upper H LEU 34 - HA MET 48 3.37 6 0.03 0.21 + ++ * + + peak 5198 HA MET 48 - H PHE 57 HA MET 48 - H GLY 59 H VAL 52 - H GLN 55 Upper H LEU 34 - HB3 GLU 49 4.56 8 0.04 0.13 ++ + + ++* + peak 4269 HB3 GLU 49 - H PHE 57 HB2 HIS 10 - QD1 LEU 12 HB3 HIS 10 - QD1 LEU 12 QD1 LEU 12 - HE2 LYS 78 QD1 LEU 12 - HE3 LYS 78 Upper H LEU 34 - H LYS 56 4.27 20 0.18 0.21 ++++++*+++++++++++++ peak 988 H GLY 54 - H LYS 56 H LYS 56 - H PHE 57 Upper H LEU 34 - HD2 LYS 56 5.01 20 0.35 0.46 +++*++++++++++++++++ peak 6178 HD2 LYS 56 - H PHE 57 Upper HA LEU 34 - HB ILE 35 4.87 20 0.20 0.40 ++++++++++++++++*+++ peak 4706 Upper HA LEU 34 - QG2 ILE 35 4.50 20 0.71 0.84 +++++++*++++++++++++ peak 4707 Upper HG LEU 34 - HA MET 48 3.68 16 0.15 0.37 *++++++++ + +++ +++ peak 5649 HA LYS 17 - H ALA 71 HA3 GLY 59 - H ALA 71 Upper HG LEU 34 - HB2 GLU 49 3.62 16 0.11 0.24 ++ ++++*+++ +++ +++ peak 4689 HB2 GLU 49 - HB2 LYS 56 HB2 GLU 49 - HD2 LYS 56 HB2 GLU 49 - QB ALA 71 HD2 LYS 26 - QE TYR 70 QG2 ILE 35 - QE TYR 70 QG2 VAL 47 - QE TYR 70 QE TYR 70 - QD2 LEU 73 Upper HG LEU 34 - HB3 LYS 56 3.17 20 0.29 0.74 ++++++++++++++++*+++ peak 2635 HB3 LYS 44 - HB3 LYS 56 HB3 LYS 56 - HD2 LYS 56 Upper HG LEU 34 - HE2 LYS 56 3.20 20 0.37 0.59 ++++++++++*+++++++++ peak 2681 HB2 LYS 56 - HE2 LYS 56 HB2 LYS 56 - HE3 LYS 56 HB2 LYS 56 - HB3 PHE 57 Upper HG LEU 34 - H PHE 57 4.13 8 0.03 0.12 + + ++ + * ++ peak 253 HD2 LYS 56 - H PHE 57 H PHE 57 - QB ALA 71 Upper HG LEU 34 - HA LYS 64 4.32 7 0.02 0.15 ++ +* + ++ peak 2824 HA LYS 64 - HD3 LYS 64 Upper QD1 LEU 34 - H ILE 35 3.03 8 0.04 0.15 + + + * + + + + peak 160 H ILE 35 - HG13 ILE 35 Upper QD2 LEU 34 - H SER 36 2.73 11 0.11 0.41 ++ + +++ + ++*+ peak 4236 QD2 LEU 34 - H LYS 44 QD2 LEU 34 - HE22 GLN 55 QD2 LEU 34 - HD21 ASN 63 HB2 PRO 19 - HA ALA 75 HB3 PRO 19 - HA ALA 75 HB2 GLU 25 - HA ALA 75 HA ALA 75 - HB2 LYS 78 Upper QD2 LEU 34 - HA THR 38 3.09 9 0.04 0.11 + + + ++ ++* + peak 2197 HA THR 38 - QG2 THR 38 Upper QD2 LEU 34 - HB3 PHE 46 4.30 12 0.06 0.19 *+ ++++++ + +++ peak 5156 QD2 LEU 34 - HG2 MET 48 HB3 ARG 27 - H GLY 54 HB2 LEU 30 - H GLY 54 HB3 LYS 31 - H GLY 54 HB3 GLU 51 - H GLY 54 H GLY 54 - HG2 LYS 78 Upper QD2 LEU 34 - QD PHE 46 3.42 6 0.02 0.16 +* + + + + peak 6145 QD PHE 46 - HG2 LYS 56 QD PHE 46 - QG2 VAL 66 HB2 MET 11 - QD1 LEU 73 HB3 MET 11 - QD1 LEU 73 HG3 PRO 19 - QD1 LEU 73 HB2 GLU 22 - QD1 LEU 73 HB ILE 35 - QD1 LEU 73 HB VAL 66 - QD1 LEU 73 QD1 LEU 73 - HB3 LYS 78 QD1 LEU 73 - HG2 PRO 81 QD1 LEU 73 - HB3 PRO 84 Upper QD2 LEU 34 - HA MET 48 4.16 6 0.03 0.24 + ++ + + * peak 5353 HD3 PRO 19 - H ALA 60 H ALA 60 - HA ALA 67 H ALA 60 - HD2 PRO 84 Upper QD2 LEU 34 - H LYS 56 3.64 17 0.29 0.51 ++++++++*+++++++ + peak 762 QG2 THR 38 - H LYS 56 H LYS 56 - HG2 LYS 56 Upper QD2 LEU 34 - H PHE 57 4.60 17 0.09 0.20 ++++++++ +++++++ +* peak 251 HG2 LYS 56 - H PHE 57 Upper QD2 LEU 34 - H LYS 65 4.18 6 0.02 0.09 *+ + + + + peak 5453 HG2 LYS 56 - H LYS 65 H LYS 65 - QG2 VAL 66 Upper QD2 LEU 34 - QB ALA 67 4.38 20 0.14 0.25 *+++++++++++++++++++ peak 5507 HG2 LYS 56 - QB ALA 67 QG2 VAL 66 - QB ALA 67 Upper H ILE 35 - QG2 ILE 35 3.73 20 0.14 0.18 *+++++++++++++++++++ peak 2124 Upper HB ILE 35 - H GLN 58 3.49 8 0.02 0.12 ++ + + ++ *+ peak 777 H GLN 58 - HB3 GLN 58 Upper HB ILE 35 - HE21 GLN 58 3.96 10 0.04 0.16 + ++ + + * + +++ peak 501 HB3 GLN 58 - HE21 GLN 58 Upper HB ILE 35 - HE22 GLN 58 4.26 13 0.05 0.16 +++++ + +* + + +++ peak 509 HB3 GLN 58 - HE22 GLN 58 Upper QG2 ILE 35 - H SER 36 4.00 15 0.10 0.29 +++ ++*++++++ ++ + peak 3924 QG2 ILE 35 - H LYS 44 Upper QG2 ILE 35 - HA SER 36 3.99 17 0.09 0.20 +++++++++*++++++ + peak 4767 HA SER 36 - QG1 VAL 47 HA SER 36 - QG2 VAL 47 Upper QG2 ILE 35 - H VAL 47 5.06 14 0.13 0.49 +++++ ++++++*++ peak 4793 QG2 ILE 35 - H GLN 58 HB2 SER 36 - H LYS 44 HA2 GLY 40 - H LYS 44 H LYS 44 - HA LYS 65 Upper QG2 ILE 35 - HA MET 48 4.38 11 0.08 0.21 + ++ +++* +++ + peak 6034 HG3 LYS 31 - HG3 GLU 33 HG3 LYS 31 - HA ALA 75 Upper QG2 ILE 35 - HB3 GLU 49 3.39 14 0.14 0.41 + ++++ +++* + ++++ peak 4442 QG2 ILE 35 - HG2 GLU 49 HG2 LYS 17 - QE MET 21 HG3 LYS 17 - QE MET 21 QE MET 21 - HG3 LYS 56 QE MET 21 - HB2 LEU 79 Upper QG2 ILE 35 - HG2 GLU 49 3.31 20 0.13 0.25 +++++++++++++*++++++ peak 4157 QG1 VAL 47 - HG2 GLU 49 HG2 GLU 49 - HG3 LYS 68 HA MET 21 - HB2 ASN 24 HA MET 21 - HB2 ASN 63 Upper QG2 ILE 35 - HG3 GLU 49 4.58 7 0.03 0.30 + + + + ++ * peak 5571 QG1 VAL 47 - HG3 GLU 49 QG2 VAL 47 - HG3 GLU 49 HG3 GLU 49 - HG3 LYS 68 H TYR 32 - HE3 LYS 68 Upper QG2 ILE 35 - HG3 GLU 49 4.49 8 0.04 0.21 +++ + +* ++ peak 4292 QG1 VAL 47 - HG3 GLU 49 QG2 VAL 47 - HG3 GLU 49 HG3 GLU 49 - HG3 LYS 68 HB2 HIS 15 - HD2 LYS 17 HB2 HIS 15 - HD3 LYS 17 HB2 HIS 15 - QB ALA 71 HB2 HIS 15 - QB ALA 72 Upper HG12 ILE 35 - HG2 GLU 49 4.49 6 0.03 0.16 + + + +* + peak 5457 HB VAL 20 - HA LYS 65 HB2 GLU 33 - HA LYS 65 HA LYS 65 - HE3 LYS 68 HA LYS 65 - HB2 LEU 76 HA LYS 65 - HB2 GLU 77 HA LYS 65 - HB2 LYS 78 Upper HG12 ILE 35 - HE22 GLN 58 3.71 8 0.02 0.09 + + ++ + +*+ peak 4870 QE MET 48 - HG2 LYS 64 Upper HG12 ILE 35 - HE22 GLN 58 4.49 7 0.02 0.11 ++ +++ * + peak 5149 HB2 ASP 53 - HE21 GLN 55 HB2 ASP 53 - QE TYR 70 Upper HG13 ILE 35 - H SER 36 4.81 11 0.09 0.34 * + ++++ ++ + + + peak 3926 HG13 ILE 35 - H LYS 44 Upper HG13 ILE 35 - HA MET 48 3.85 6 0.02 0.16 * ++ + + + peak 4689 HD2 LYS 26 - QE TYR 70 QG2 ILE 35 - QE TYR 70 QG2 VAL 47 - QE TYR 70 QE TYR 70 - QD2 LEU 73 Upper QD1 ILE 35 - HB2 SER 36 5.36 17 0.40 0.56 +++++++++++++*++ + peak 4740 QD1 ILE 35 - HA LYS 65 Upper QD1 ILE 35 - HB3 SER 36 5.45 16 0.17 0.41 +*++++++++++++ + + peak 4741 QD1 ILE 35 - HA LYS 68 Upper QD1 ILE 35 - HG2 GLU 49 3.56 6 0.04 0.26 + + ++* + peak 4883 QE MET 48 - HE2 LYS 64 QE MET 48 - HE3 LYS 64 Upper HB2 SER 36 - HG2 LYS 68 4.45 9 0.03 0.12 + + + ++ *+ ++ peak 6153 HA2 GLY 39 - HG2 LYS 68 HA LYS 65 - HG2 LYS 68 QG2 THR 13 - HG2 GLU 22 HG2 GLU 22 - QG2 THR 38 HG2 GLU 22 - QG1 VAL 66 HG3 GLU 33 - QG2 THR 38 HG3 GLU 33 - QG1 VAL 66 Upper HB3 SER 36 - HB2 GLU 37 4.90 20 0.20 0.58 +++++++++++++*++++++ peak 4762 HB3 SER 36 - HB3 GLU 37 HB3 SER 36 - HB2 LYS 44 HB3 SER 36 - HB2 GLU 49 HB3 SER 36 - HB VAL 66 HB3 SER 36 - HG2 PRO 81 HB3 SER 36 - HB3 PRO 84 Upper H GLU 37 - H THR 38 3.88 20 0.17 0.38 +++++++++++*++++++++ peak 172 Upper HB3 GLU 37 - H THR 38 4.07 11 0.05 0.20 *+ + +++++ ++ + peak 175 Upper HB THR 38 - HA2 GLY 39 5.56 7 0.05 0.24 + + + +*+ + peak 4786 Upper HA3 GLY 39 - H GLY 40 3.45 8 0.02 0.10 ++ + + +* ++ peak 184 Upper H ASP 43 - H LYS 44 3.94 12 0.10 0.36 +++* ++++++ ++ peak 189 H LYS 44 - H LYS 68 Upper H ASP 43 - HA VAL 66 3.65 20 0.28 0.44 ++++++++++++++++*+++ peak 4867 HA VAL 66 - H LYS 68 QD2 LEU 34 - QE MET 48 QE MET 48 - HG2 LYS 56 QE MET 48 - QG2 VAL 66 Upper HB2 ASP 43 - H VAL 47 3.59 7 0.03 0.16 * + +++ ++ peak 194 HB2 PHE 46 - H VAL 47 Upper HA LYS 44 - HE3 LYS 44 5.14 6 0.04 0.25 + * + + + + peak 2327 HE3 LYS 44 - HA ARG 45 Upper HB2 LYS 44 - HD3 LYS 44 3.99 15 0.12 0.24 + + +++*++ +++ ++++ peak 2263 HB2 LYS 44 - HG3 LYS 56 Upper HB3 LYS 44 - HD3 LYS 44 3.67 8 0.05 0.28 + + + + + + +* peak 2273 HB3 LYS 44 - HG3 LYS 56 Upper HB3 LYS 44 - HG2 GLU 51 3.67 12 0.05 0.16 + ++++++ + * + ++ peak 4885 HB3 LYS 44 - HG3 GLU 51 HG2 GLU 51 - HD2 LYS 56 HG3 GLU 51 - HD2 LYS 56 QE MET 48 - HA LYS 64 Upper HB3 LYS 44 - HG2 GLU 51 3.99 13 0.07 0.25 ++++++++ +++ +* peak 4927 HB3 LYS 44 - HG3 GLU 51 HG2 GLU 51 - HD2 LYS 56 HG3 GLU 51 - HD2 LYS 56 H ILE 35 - H GLU 49 Upper HG2 LYS 44 - HD2 LYS 44 2.72 8 0.04 0.21 +* + ++ ++ + peak 2300 HD2 LYS 44 - HB3 LYS 56 HD2 LYS 44 - HD3 LYS 56 HD2 LYS 44 - HB2 LYS 64 Upper HG2 LYS 44 - HE2 LYS 44 3.81 7 0.03 0.14 + + +++ +* peak 2320 HE2 LYS 44 - HB3 LYS 56 Upper HG2 LYS 44 - H LYS 56 3.17 13 0.08 0.19 +++ + + ++++ + *++ peak 761 H LYS 56 - HB3 LYS 56 H LYS 56 - HD3 LYS 56 H LYS 56 - HG2 LYS 68 Upper HG2 LYS 44 - HB3 TYR 70 4.79 12 0.03 0.12 * + +++++ + ++++ peak 5599 QB ALA 67 - HB3 TYR 70 HG2 LYS 68 - HB3 TYR 70 QB ALA 69 - HB3 TYR 70 Upper HG2 LYS 44 - QE TYR 70 4.46 16 0.09 0.23 +++ ++++++ ++++++* peak 4686 QB ALA 67 - QE TYR 70 HG2 LYS 68 - QE TYR 70 QB ALA 69 - QE TYR 70 Upper HB3 PHE 46 - HZ PHE 46 4.75 20 0.97 1.01 *+++++++++++++++++++ peak 4641 HZ PHE 46 - HG2 MET 48 Upper QE PHE 46 - QG2 VAL 66 4.40 18 0.19 0.34 +++ *+++++++++++ +++ peak 5631 QG2 VAL 66 - QD TYR 70 HA GLN 58 - H ALA 71 Upper QE PHE 46 - QG2 VAL 66 4.32 11 0.06 0.24 ++ + + + ++ * +++ peak 6195 QG2 VAL 66 - QD TYR 70 QD2 LEU 34 - HA GLU 37 Upper H VAL 47 - HG3 GLN 58 4.29 16 0.08 0.18 + +++++ ++++++++ * + peak 2761 H GLN 58 - HG3 GLN 58 Upper H VAL 47 - H GLY 59 4.26 20 0.22 0.26 ++++++*+++++++++++++ peak 263 H GLN 58 - H GLY 59 Upper H VAL 47 - HA ALA 60 4.27 14 0.17 0.47 + + +*+++++ ++ +++ peak 4373 QG2 THR 13 - HG2 PRO 19 HG3 LYS 14 - HG2 PRO 19 HG2 PRO 19 - QD2 LEU 34 HG2 PRO 19 - QG2 THR 38 HG2 PRO 19 - HG2 LYS 56 Upper H VAL 47 - HA ALA 60 4.68 10 0.09 0.33 ++++ + + + + *+ peak 5997 H GLN 58 - HA ALA 60 HE ARG 27 - QD TYR 32 HE ARG 27 - HE21 GLN 55 HE ARG 27 - QE TYR 70 Upper HA VAL 47 - H LEU 79 5.09 11 0.03 0.11 +++ ++ * ++++ + peak 5837 H LEU 79 - HA PHE 80 Upper HB VAL 47 - H MET 48 3.84 20 0.23 0.36 ++*+++++++++++++++++ peak 720 H MET 48 - QE MET 48 Upper HB VAL 47 - QD PHE 80 4.64 15 0.10 0.22 + ++++++++ ++*++ + peak 4703 HB2 LEU 76 - QD PHE 80 HD2 LYS 78 - QD PHE 80 QD PHE 80 - HG3 PRO 81 Upper QG1 VAL 47 - HA GLN 58 3.25 8 0.04 0.15 + +*+ + ++ + peak 4586 QG2 VAL 47 - HA GLN 58 QD2 LEU 30 - QG2 VAL 50 Upper H MET 48 - QE MET 48 5.11 7 0.02 0.07 + + + + + +* peak 2444 Upper HB3 MET 48 - QE MET 48 3.09 16 0.13 0.30 ++++++++++++++ *+ peak 2447 QE MET 48 - HB3 LYS 65 QE MET 48 - HB2 LEU 73 Upper HB3 MET 48 - H GLU 49 3.63 8 0.03 0.22 * + + ++ ++ + peak 206 H GLU 49 - HB2 LEU 73 Upper HG3 MET 48 - H GLU 49 4.69 19 0.13 0.23 +++++++++++++++* +++ peak 208 Upper HG3 MET 48 - HD2 LYS 65 4.31 10 0.06 0.32 +* ++ + ++ + + + peak 5247 HG3 MET 48 - HD3 LYS 65 HG3 MET 48 - HB2 LYS 68 QD2 LEU 23 - H PHE 57 HD3 LYS 26 - H PHE 57 HB3 LEU 30 - H PHE 57 QG2 VAL 52 - H PHE 57 H PHE 57 - QD1 LEU 76 H PHE 57 - QD1 LEU 87 Upper QE MET 48 - HB3 LYS 64 3.77 12 0.07 0.21 + +*+++ +++ +++ peak 5804 HB3 LYS 64 - HB2 LEU 76 QD1 LEU 23 - HG2 GLU 25 QD1 LEU 23 - HG2 GLU 77 HG2 LYS 26 - HG2 GLU 77 QD1 LEU 30 - HG2 GLU 77 HG3 LYS 68 - HG2 GLU 77 HG2 GLU 25 - QD1 LEU 73 QD1 LEU 73 - HG2 GLU 77 HG2 GLU 77 - QD2 LEU 79 Upper HA GLU 49 - HB2 GLN 58 3.70 12 0.05 0.25 ++ ++ ++ + +++ +* peak 4698 HA GLU 49 - HB3 PRO 81 QG2 ILE 35 - QD TYR 70 QG1 VAL 47 - QD TYR 70 QG2 VAL 47 - QD TYR 70 HG3 LYS 68 - QD TYR 70 QD TYR 70 - QD2 LEU 73 Upper HB2 GLU 49 - H VAL 50 3.76 19 0.17 0.41 ++*++++++++++++++++ peak 212 Upper HG2 GLU 49 - H LYS 56 3.27 19 0.24 0.53 ++ +++++*+++++++++++ peak 244 HB2 GLN 55 - H LYS 56 HG3 GLN 55 - H LYS 56 Upper HG2 GLU 49 - HG3 GLN 58 3.77 7 0.03 0.17 ++ + + + + * peak 5396 HG2 GLU 49 - HB2 PRO 84 HB THR 13 - H ASN 63 HA2 GLY 61 - H ASN 63 Upper HG3 GLU 49 - HG3 GLN 58 4.03 7 0.04 0.27 + + + + ++ * peak 4219 HG3 GLU 49 - HB2 PRO 84 H GLY 61 - HA ALA 72 HA ALA 72 - H LEU 76 HA ALA 72 - H ASP 82 Upper HG3 GLU 49 - HA LYS 78 3.43 7 0.09 0.45 + + *+ ++ + peak 3293 HB2 LEU 76 - HA LYS 78 HA LYS 78 - HD2 LYS 78 HA LYS 78 - HG3 PRO 81 Upper HG3 GLU 49 - H LEU 79 3.90 10 0.20 0.74 + + + +++ *+++ peak 375 HB2 LEU 76 - H LEU 79 HD2 LYS 78 - H LEU 79 H LEU 79 - HG3 PRO 81 Upper HB VAL 50 - H GLU 51 3.70 20 0.35 0.52 +++++++++++++++*++++ peak 218 Upper QG1 VAL 50 - H GLU 51 3.92 20 0.16 0.22 ++++++++++++*+++++++ peak 219 Upper QG2 VAL 50 - HA LYS 56 4.25 6 0.02 0.13 ++ +*++ peak 4450 QG2 VAL 50 - HA PHE 57 QG2 THR 13 - HB2 GLU 22 HG3 LYS 14 - HB2 GLU 22 HB2 GLU 22 - QD2 LEU 34 HB2 GLU 22 - QG2 THR 38 HB2 GLU 22 - HG2 LYS 56 HB2 GLU 22 - QG1 VAL 66 Upper QG2 VAL 50 - HA LYS 56 4.04 14 0.07 0.19 * +++++++ +++ +++ peak 4663 QG2 VAL 50 - HA PHE 57 HG3 GLU 33 - QG2 ILE 35 HG3 GLU 33 - QG1 VAL 47 HG3 GLU 33 - QG2 VAL 47 HG3 GLU 33 - HG3 LYS 68 HG3 GLU 33 - QD2 LEU 73 Upper H GLU 51 - HG2 GLU 51 3.43 18 0.35 0.58 ++++++++++++++++* + peak 737 H GLU 51 - HG3 GLU 51 Upper H GLU 51 - H VAL 52 3.50 20 0.86 1.04 +++++++++++++++*++++ peak 221 H VAL 52 - H THR 83 Upper H GLU 51 - H VAL 52 4.31 13 0.08 0.24 ++ ++++ ++ + * +++ peak 983 Upper H GLU 51 - HE2 LYS 56 3.16 14 0.05 0.16 ++++ +++++ + +++* peak 6038 H GLU 51 - HE3 LYS 56 H GLU 51 - HB3 PHE 57 HD2 LYS 26 - QG2 VAL 50 QD2 LEU 30 - QG2 VAL 50 QG2 VAL 50 - QD2 LEU 73 QG2 VAL 50 - QB ALA 75 QG2 VAL 50 - QD2 LEU 87 Upper HA GLU 51 - HB3 LYS 56 3.45 7 0.08 0.49 + + + + + + * peak 6151 HA THR 13 - QG2 ILE 35 HA THR 13 - QD2 LEU 73 Upper HB2 GLU 51 - H VAL 52 4.04 20 0.31 0.51 *+++++++++++++++++++ peak 223 Upper HB3 GLU 51 - H VAL 52 3.95 16 0.28 0.58 +++++++ *++++++ + + peak 224 H VAL 52 - HG2 LYS 78 Upper HB3 GLU 51 - HE2 LYS 56 3.79 10 0.06 0.24 ++* + + ++ ++ + peak 1053 HB3 GLU 51 - HE3 LYS 56 HB3 GLU 51 - HB3 PHE 57 HD3 PRO 19 - H ALA 69 HA ALA 67 - H ALA 69 H ALA 69 - HD2 PRO 84 Upper HG2 GLU 51 - HA3 GLY 54 4.33 7 0.04 0.20 + +* ++ + + peak 4666 HG3 GLU 51 - HA3 GLY 54 HB3 ARG 27 - HG3 GLU 33 HB3 LYS 31 - HG3 GLU 33 HD2 LYS 31 - HG3 GLU 33 HD3 LYS 31 - HG3 GLU 33 HG3 GLU 33 - HB3 GLU 51 HG3 GLU 33 - HB3 LEU 73 HG3 GLU 33 - HG2 LYS 78 Upper HG2 GLU 51 - HG2 LYS 56 3.93 6 0.05 0.27 + ++ + * + peak 4185 HG3 GLU 51 - HG2 LYS 56 H ARG 28 - HA VAL 66 H GLU 37 - HA VAL 66 HA VAL 66 - H TYR 70 HA VAL 66 - H ALA 72 Upper H VAL 52 - H ASP 53 4.25 11 0.06 0.18 + + ++ + ++*++ + peak 227 Upper HA VAL 52 - QE PHE 57 3.98 20 0.42 0.74 +++++++++++++++++++* peak 5200 HA VAL 52 - H LYS 78 HA VAL 52 - QD PHE 80 HA GLU 51 - H GLN 55 Upper HA VAL 52 - HD2 LYS 78 3.42 10 0.15 0.63 + + + + *+ ++++ peak 3338 HA LYS 78 - HD2 LYS 78 HD2 LYS 78 - HA LEU 85 HD2 LYS 78 - HA LEU 87 Upper HA VAL 52 - HD3 LYS 78 3.56 11 0.07 0.39 + +*+++++ ++ + peak 3348 HA ASP 53 - HD3 LYS 78 HA LYS 78 - HD3 LYS 78 HD3 LYS 78 - HA LEU 85 HD3 LYS 78 - HA LEU 87 Upper HB VAL 52 - H GLN 55 3.37 9 0.15 0.62 + ++ +++ + * + peak 754 H GLN 55 - HG2 GLN 55 Upper HB VAL 52 - HE21 GLN 55 3.38 19 0.14 0.31 +++++++*++++ +++++++ peak 486 HG2 GLN 55 - HE21 GLN 55 Upper H GLN 55 - HB3 GLN 55 3.27 20 0.27 0.59 ++++++*+++++++++++++ peak 753 H GLN 55 - HB3 LYS 65 H GLN 55 - HB2 LEU 73 Upper H GLN 55 - HG3 GLN 55 4.00 13 0.16 0.59 + ++++++*++ ++ + peak 2601 Upper H GLN 55 - H LYS 56 3.96 20 0.46 0.58 +++++++++++++++++*++ peak 987 H GLN 55 - H LEU 79 Upper H GLN 55 - H LYS 56 4.11 20 0.32 0.44 +++++++++++++++++*++ peak 239 Upper H GLN 55 - HB2 LYS 56 5.15 17 0.32 0.58 ++++++++ +++++*+ ++ peak 5167 H GLN 55 - HD2 LYS 56 H GLN 55 - QB ALA 71 H GLN 55 - QB ALA 72 Upper HB2 GLN 55 - H LYS 56 4.27 18 0.11 0.20 ++++*++++++ +++++ ++ peak 3987 HB2 GLN 55 - H LEU 79 Upper HB2 GLN 55 - QE PHE 57 3.87 10 0.16 0.48 ++ ++ ++ + + + * peak 4495 HB2 GLN 55 - H LYS 78 HB2 GLN 55 - QD PHE 80 HA MET 21 - HD22 ASN 24 HD22 ASN 24 - HA ALA 74 Upper HB2 GLN 55 - H LYS 78 3.36 14 0.09 0.24 + ++ ++ ++++ + +*++ peak 1099 HG3 GLN 55 - H LYS 78 HA ALA 75 - H LYS 78 HB3 GLU 77 - H LYS 78 Upper HB3 GLN 55 - H LYS 56 3.25 14 0.21 0.59 + ++++++*++ + +++ peak 242 H LYS 56 - HB3 LYS 65 H LYS 56 - HB2 LEU 73 H LYS 56 - QB ALA 74 Upper HE22 GLN 55 - H ALA 72 4.48 8 0.05 0.23 ++ ++ ++*+ peak 4492 H ASN 63 - H ALA 72 H ALA 69 - H ALA 72 HB2 GLU 22 - H ASN 24 H ASN 24 - HB3 GLU 33 H ASN 24 - HB2 GLU 49 H ASN 24 - HG LEU 76 H ASN 24 - HB2 LYS 91 Upper HB2 LYS 56 - HE2 LYS 56 3.41 14 0.19 0.38 +++ + + *+++ +++++ peak 2691 HB2 LYS 56 - HE3 LYS 56 HB2 LYS 56 - HB3 PHE 57 Upper HB2 LYS 56 - H GLN 58 3.78 14 0.14 0.44 + +++ + ++++ +++* + peak 4347 HD2 LYS 56 - H GLN 58 H GLN 58 - QB ALA 71 HA LEU 12 - HD3 PRO 19 HA LEU 12 - HD2 PRO 84 HD3 PRO 19 - HA ASN 24 HD3 PRO 19 - HA THR 38 HD3 PRO 19 - HA ASN 63 HD3 PRO 19 - HA ASP 82 HA ASP 82 - HD2 PRO 84 Upper HB2 LYS 56 - HE21 GLN 58 3.93 17 0.14 0.35 *+++++ ++++++ ++++ + peak 5344 HD2 LYS 56 - HE21 GLN 58 HE21 GLN 58 - QB ALA 71 H MET 48 - QB ALA 60 Upper H PHE 57 - HB2 PHE 57 3.77 17 0.09 0.18 ++++++ +*+++++++ + + peak 770 Upper QD PHE 57 - HZ PHE 57 3.25 20 0.54 0.55 +++*++++++++++++++++ peak 4574 QD PHE 57 - HZ PHE 80 Upper QE PHE 57 - HD2 LYS 78 3.93 6 0.03 0.29 + * + +++ peak 3337 H LYS 78 - HD2 LYS 78 HD2 LYS 78 - QD PHE 80 Upper QE PHE 57 - HD3 LYS 78 3.86 15 0.17 0.48 ++++++++ +++ ++*+ peak 3347 H LYS 78 - HD3 LYS 78 HD3 LYS 78 - QD PHE 80 Upper QE PHE 57 - HA LEU 79 4.33 9 0.03 0.13 ++ + ++ ++*+ peak 5859 H LYS 78 - HA LEU 79 HA LEU 79 - QD PHE 80 Upper HZ PHE 57 - HD3 LYS 78 3.66 17 0.13 0.38 + ++++ +*++++++++++ peak 1054 HD3 LYS 78 - HZ PHE 80 H ALA 67 - H ALA 69 Upper HZ PHE 57 - HD3 LYS 78 4.02 7 0.03 0.31 + *+++ + + peak 4353 HD3 LYS 78 - HZ PHE 80 QD2 LEU 12 - HD2 PRO 19 HD2 PRO 19 - QD1 ILE 35 Upper HZ PHE 57 - QD PHE 80 3.62 20 0.17 0.17 ++++++*+++++++++++++ peak 4589 QD PHE 80 - HZ PHE 80 Upper H GLN 58 - H GLY 59 4.37 20 0.20 0.22 +++++*++++++++++++++ peak 990 Upper HA GLN 58 - HE22 GLN 58 5.78 7 0.03 0.17 ++ + ++ *+ peak 507 Upper HB2 GLN 58 - HE21 GLN 58 3.99 16 0.06 0.15 +++ ++++++ + +++* ++ peak 500 HE21 GLN 58 - HB3 PRO 81 Upper HB2 GLN 58 - H GLY 59 3.57 20 0.31 0.44 ++++++*+++++++++++++ peak 265 H GLY 59 - HB3 PRO 81 Upper HG3 GLN 58 - HE22 GLN 58 3.72 18 0.06 0.10 ++++++++++*+++++ + + peak 511 HE22 GLN 58 - HB2 PRO 81 Upper HE21 GLN 58 - HD2 PRO 81 3.83 7 0.04 0.18 + ++ +++* peak 4925 H LEU 79 - HD2 PRO 81 QD TYR 32 - QE MET 48 QE MET 48 - HE21 GLN 55 QE MET 48 - QE TYR 70 Upper H ALA 60 - H GLY 61 4.29 15 0.09 0.20 + + ++*+++ +++++++ peak 992 Upper QB ALA 60 - HA2 GLY 61 4.60 6 0.03 0.16 + + + ++* peak 5377 Upper H GLY 61 - HB2 ASP 82 3.64 6 0.04 0.18 + + + * ++ peak 3502 H ASP 82 - HB2 ASP 82 H ASP 82 - HB2 ASP 88 Upper HB2 ASN 63 - HD22 ASN 63 3.67 20 0.26 0.36 ++++++++*+++++++++++ peak 466 Upper H LYS 64 - HG2 LYS 64 4.36 9 0.05 0.18 +++ + *+ +++ peak 805 Upper H LYS 64 - QD2 LEU 76 4.63 9 0.04 0.35 +++ + *++ + + peak 4081 H VAL 66 - QD2 LEU 76 QD2 LEU 76 - H GLU 77 Upper HB2 LYS 64 - QG2 VAL 66 3.78 18 0.11 0.19 +*+ ++++++++++++ +++ peak 5465 QG2 VAL 66 - QB ALA 67 QG2 VAL 66 - QB ALA 69 Upper HB3 LYS 64 - H VAL 66 4.17 16 0.20 0.37 +++ + *++++++++++ + peak 304 HD2 LYS 64 - H VAL 66 HG2 LYS 65 - H VAL 66 H VAL 66 - HB3 LEU 76 Upper H LYS 65 - HD2 LYS 65 3.81 12 0.05 0.17 ++ +* + + +++ +++ peak 818 H LYS 65 - HD3 LYS 65 Upper HA LYS 65 - HG2 LYS 65 3.59 6 0.04 0.21 * + ++ + + peak 2911 Upper HB2 LYS 65 - H LEU 79 4.63 6 0.03 0.29 + + * +++ peak 376 QB ALA 74 - H LEU 79 HG LEU 76 - H LEU 79 HD3 LYS 78 - H LEU 79 Upper H VAL 66 - HB2 GLU 77 3.37 19 0.14 0.20 ++++++++ ++++++++*++ peak 3263 HB3 GLU 22 - H GLU 77 H GLU 77 - HB2 GLU 77 HB2 GLU 77 - H ALA 86 HB2 GLU 77 - H ASP 88 Upper H LYS 68 - HG3 LYS 68 3.86 15 0.20 0.32 ++ +* + +++++++ +++ peak 834 H LYS 68 - QD2 LEU 79 Upper H LYS 68 - HD2 LYS 68 3.84 19 0.18 0.49 +++ ++*+++++++++++++ peak 836 H LYS 68 - HD3 LYS 68 Upper QD TYR 70 - HB2 LEU 73 4.18 7 0.10 0.47 ++ + + + * + peak 4661 HB2 LEU 73 - H ALA 75 HB2 LYS 17 - HG2 GLU 33 HB3 LYS 17 - HG2 GLU 33 HB3 ARG 27 - HG2 GLU 33 HB3 LYS 31 - HG2 GLU 33 HG2 GLU 33 - HB3 GLU 51 HG2 GLU 33 - HB3 LYS 65 HG2 GLU 33 - HG2 LYS 78 Upper HA ALA 71 - HA ALA 74 3.51 20 0.44 0.56 ++++++*+++++++++++++ peak 1082 HA ALA 72 - HA ALA 74 HA ALA 74 - HA LEU 76 H GLY 61 - H ALA 74 H ALA 74 - H LEU 76 H ALA 74 - H ASP 82 Upper QB ALA 71 - H ALA 74 3.76 20 0.22 0.41 ++++++++++++++++++*+ peak 6108 QB ALA 72 - H ALA 74 HB2 LYS 26 - QB ALA 75 HG3 LYS 31 - QB ALA 75 HB VAL 50 - QB ALA 75 QB ALA 60 - QB ALA 75 Upper HA ALA 72 - H ALA 74 3.53 8 0.04 0.17 ++ +++* ++ peak 5638 QE TYR 32 - QB ALA 71 Upper H LEU 73 - QD2 LEU 73 3.79 12 0.13 0.27 ++ + ++ + + *++ + + peak 860 H LEU 73 - QB ALA 75 Upper HB2 LEU 73 - H ALA 74 3.92 6 0.08 0.42 ++ + + + * peak 4067 Upper QD1 LEU 73 - H ALA 74 4.60 6 0.01 0.08 + + +* + + peak 4070 Upper QB ALA 74 - H LYS 78 4.11 19 0.26 0.38 ++++++++ +++*+++++++ peak 887 HG LEU 76 - H LYS 78 H LYS 78 - HD3 LYS 78 Upper H LEU 76 - HB3 PRO 81 4.35 6 0.06 0.23 * ++ + ++ peak 4106 HB3 PRO 81 - H ASP 82 Upper HB2 LEU 76 - H ASP 82 3.61 10 0.06 0.25 ++*+ ++ ++ ++ peak 388 HB3 PRO 81 - H ASP 82 Upper HB3 LEU 76 - HA LEU 79 3.40 10 0.04 0.27 ++ ++ ++* + + + peak 3381 HG3 LYS 78 - HA LEU 79 HA LEU 79 - HG LEU 79 Upper HB3 GLU 77 - H LYS 78 4.03 20 0.29 0.40 ++++++++++++++++++*+ peak 4084 Upper HB2 LYS 78 - HD3 LYS 78 3.88 15 0.09 0.17 + ++ + *++++++++ + + peak 3304 Upper HB3 LYS 78 - HE2 LYS 78 3.93 7 0.05 0.16 * ++ + +++ peak 3370 HB3 LYS 78 - HE3 LYS 78 Upper H LEU 79 - HB3 LEU 79 3.48 20 0.13 0.19 ++++++++++++++++*+++ peak 893 Upper H PHE 80 - HD3 PRO 81 3.88 8 0.08 0.36 + *+ + ++++ peak 5906 Upper HB2 PHE 80 - H ASP 82 4.95 9 0.06 0.20 +++ ++ * + ++ peak 392 HD3 PRO 81 - H ASP 82 Upper HA PRO 81 - H ASP 82 2.73 14 0.22 0.80 +++* + +++ ++++ ++ peak 386 Upper HB2 PRO 81 - H ASP 82 3.83 11 0.26 0.52 +++++ ++ *+ ++ peak 387 Upper HB3 PRO 81 - H THR 83 4.29 13 0.19 0.40 + + *+ +++ ++ ++++ peak 5926 H THR 83 - HG2 PRO 84 H THR 83 - HG3 PRO 84 Upper H ASP 82 - HB2 ASP 82 3.38 8 0.13 0.44 + +++ + * ++ peak 905 H ASP 82 - HB2 ASP 88 Upper H ASP 82 - HB3 ASP 82 3.08 7 0.03 0.14 + + + + * ++ peak 906 H ASP 82 - HB3 ASP 88 Upper HA ASP 82 - H THR 83 2.91 19 0.32 0.53 ++++* ++++++++++++++ peak 394 Upper HB2 ASP 82 - H THR 83 3.64 18 0.10 0.21 ++ +*+++ +++++++++++ peak 395 H THR 83 - HB2 ASP 88 Upper HB3 ASP 82 - H THR 83 3.84 17 0.21 0.51 ++ ++ ++ ++++++++++* peak 396 H THR 83 - HB3 ASP 88 Upper H THR 83 - HA THR 83 2.89 13 0.03 0.06 +++ + ++ +++++ *+ peak 908 Upper H THR 83 - HB THR 83 3.25 18 0.26 0.50 ++ +++*++++++++++++ peak 909 Upper H THR 83 - QG2 THR 83 3.69 8 0.05 0.20 ++ +* + + ++ peak 910 Upper H THR 83 - HD2 PRO 84 4.71 17 0.17 0.31 ++++++ +++ +++++++* peak 5929 Upper H THR 83 - HD3 PRO 84 4.79 14 0.04 0.29 +++ * +++ +++++ ++ peak 5928 Upper HB THR 83 - HD2 PRO 84 3.91 14 0.06 0.18 *+ ++ ++++++++ ++ peak 5953 Upper HB2 PRO 84 - H LEU 85 4.29 8 0.03 0.19 + +* + ++ ++ peak 398 Upper H LEU 85 - HB2 LEU 85 3.65 9 0.06 0.25 + * + + + ++ + + peak 913 H LEU 85 - HB3 LEU 87 Upper H LEU 85 - HG LEU 85 4.00 8 0.05 0.48 + + *+ + + ++ peak 3592 H LEU 85 - HG LEU 87 Upper H LEU 85 - H ALA 86 4.00 16 0.20 0.40 + +*+++++++ ++++++ peak 1013 H LEU 85 - H ASP 88 Upper H ALA 86 - H LEU 87 2.56 6 0.02 0.19 * + + + + + peak 1015 H LEU 87 - H ASP 88 Upper HA ALA 86 - H LEU 87 2.80 10 0.08 0.42 +++ +* + + +++ peak 412 Upper QB ALA 86 - H LEU 87 3.56 14 0.06 0.14 ++++ +++ +*++++ + peak 413 Upper HB2 LEU 87 - H ASP 88 3.97 12 0.08 0.29 + ++ + +++ +*++ + peak 418 HG LEU 87 - H ASP 88 VdW HA ASN 18 - CD PRO 19 2.60 9 0.16 0.29 ++ ++++ + + * VdW O GLU 22 - HG2 LYS 26 2.30 6 0.13 0.38 * ++++ + VdW HG3 GLU 25 - C GLU 25 2.50 7 0.12 0.40 + ++++* + VdW O LYS 31 - HA VAL 50 2.30 10 0.20 0.40 ++ +++ ++* ++ VdW N ILE 35 - CG1 ILE 35 2.85 8 0.18 0.24 ++ + + + +* + VdW N ILE 35 - CD1 ILE 35 3.05 10 0.22 0.41 ++ + + + +++ * + VdW HA GLU 49 - O PHE 57 2.30 17 0.25 0.35 +++++* +++++++++++ VdW O VAL 50 - HA LYS 56 2.30 19 0.27 0.34 ++++*+++++++++++ +++ VdW O LEU 76 - C PHE 80 2.80 11 0.20 0.40 + *+ ++++ ++++ VdW H GLU 77 - CG GLU 77 2.55 6 0.17 0.26 + + * ++ + VdW HB2 PRO 81 - H ASP 82 1.95 6 0.10 0.28 ++ + * ++ Angle PSI GLU 33 110.80 167.90 17 6.93 10.39 ++++++++ ++++ ++ +*+ Angle PHI GLN 58 -152.70 -102.30 19 8.22 14.11 +++ ++++++++++++*+++ Angle PSI LYS 78 -53.20 9.00 14 6.66 13.18 *+ ++++ +++ +++++ 512 violated distance restraints. 11 violated van der Waals restraints. 3 violated angle restraints. RMSDs for residues 21..66: Average backbone RMSD to mean : 0.71 +/- 0.19 A (0.47..1.15 A; 20 structures) Average heavy atom RMSD to mean : 1.24 +/- 0.24 A (0.94..1.98 A; 20 structures)