============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. PHE 9 1.000 14.556 45.582 81.136 -99.200 -91.000 PHE 11 1.000 17.216 40.370 91.037 -99.200 -91.000 TYR 15 0.840 19.738 35.388 90.677 -99.200 -91.000 TYR 16 0.840 17.776 35.244 85.334 -99.200 -91.000 TYR 28 0.840 26.320 41.295 97.020 -99.200 -91.000 PHE 29 1.000 23.225 39.257 92.856 -99.200 -91.000 TYR 30 0.840 18.983 34.303 96.831 -99.200 -91.000 HIS 38 0.900 17.160 26.125 91.685 -99.200 -91.000 TYR 41 0.840 20.701 23.452 89.529 -99.200 -91.000 PHE 55 1.000 20.059 24.415 95.299 -99.200 -91.000 PHE 56 1.000 21.618 29.424 94.067 -99.200 -91.000 PHE 75 1.000 9.019 44.822 85.253 -99.200 -91.000 TYR 77 0.840 7.162 49.798 92.396 -99.200 -91.000 HIS 80 0.900 5.838 49.024 105.420 -99.200 -91.000 HIS 82 0.900 0.887 49.232 97.241 -99.200 -91.000 PHE 94 1.000 17.948 26.994 74.981 -99.200 -91.000 TRP 95 1.040 24.717 20.478 79.593 -99.200 -91.000 TRP6 95 1.020 25.952 19.334 77.893 -99.200 -91.000 TYR 101 0.840 15.262 20.444 83.089 -99.200 -91.000 PHE 103 1.000 13.538 30.543 83.266 -99.200 -91.000 PHE 107 1.000 14.570 36.076 90.895 -99.200 -91.000 PHE 118 1.000 14.663 47.701 95.318 -99.200 -91.000 PHE 127 1.000 15.895 24.069 86.697 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1zx2B1 GLY 2 HA2 0.03 -0.03 0.13 -0.51 4.01 3.63 1zx2B1 GLY 2 HA3 0.02 -0.04 0.19 -0.51 4.01 3.68 1zx2B1 VAL 3 H 0.05 0.19 0.11 -0.55 8.24 8.04 1zx2B1 VAL 3 HA 0.03 0.09 0.86 -0.75 4.13 4.35 1zx2B1 VAL 3 HB 0.05 0.06 -0.16 -0.04 2.12 2.03 1zx2B1 VAL 3 HG13 0.10 0.01 -0.04 -0.04 0.97 1.00 1zx2B1 VAL 3 HG23 0.03 -0.00 0.03 -0.04 0.95 0.96 1zx2B1 THR 4 H 0.01 0.09 0.18 -0.55 8.28 8.02 1zx2B1 THR 4 HA 0.08 0.17 0.69 -0.75 4.39 4.56 1zx2B1 THR 4 HB 0.01 0.05 0.20 -0.04 4.32 4.54 1zx2B1 THR 4 HG23 -0.01 -0.22 0.03 -0.04 1.22 0.98 1zx2B1 VAL 5 H 0.05 0.23 0.16 -0.55 8.24 8.14 1zx2B1 VAL 5 HA -0.22 0.15 0.40 -0.75 4.13 3.70 1zx2B1 VAL 5 HB -0.53 0.09 0.11 -0.04 2.12 1.75 1zx2B1 VAL 5 HG13 0.02 0.01 -0.01 -0.04 0.97 0.95 1zx2B1 VAL 5 HG23 -0.59 0.01 -0.09 -0.04 0.95 0.24 1zx2B1 GLN 6 H -0.03 0.08 -0.16 -0.55 8.47 7.81 1zx2B1 GLN 6 HA -0.36 0.10 0.39 -0.75 4.36 3.74 1zx2B1 GLN 6 HB2 0.19 0.02 0.09 -0.04 2.15 2.40 1zx2B1 GLN 6 HB3 0.02 -0.01 0.04 -0.04 2.02 2.03 1zx2B1 GLN 6 HG2 0.01 0.01 -0.09 -0.04 2.40 2.29 1zx2B1 GLN 6 HG3 0.63 0.02 0.02 -0.04 2.39 3.02 1zx2B1 GLN 6 HE21 0.14 0.04 0.00 -0.04 6.97 7.11 1zx2B1 GLN 6 HE22 0.35 0.00 0.00 -0.04 7.69 8.01 1zx2B1 ASP 7 H -0.05 0.03 -0.24 -0.55 8.40 7.59 1zx2B1 ASP 7 HA -0.07 0.07 0.35 -0.75 4.63 4.22 1zx2B1 ASP 7 HB2 -0.02 0.13 0.14 -0.04 2.71 2.92 1zx2B1 ASP 7 HB3 -0.01 0.07 -0.00 -0.04 2.70 2.71 1zx2B1 ILE 8 H -0.10 0.49 -0.17 -0.55 8.25 7.93 1zx2B1 ILE 8 HA -0.04 0.05 0.45 -0.75 4.18 3.89 1zx2B1 ILE 8 HB -0.30 0.05 0.08 -0.04 1.89 1.68 1zx2B1 ILE 8 HG12 0.02 0.04 -0.02 -0.04 1.49 1.49 1zx2B1 ILE 8 HG13 -0.02 -0.05 -0.03 -0.04 1.21 1.07 1zx2B1 ILE 8 HG23 -0.63 -0.00 -0.16 -0.04 0.93 0.10 1zx2B1 ILE 8 HD13 0.01 -0.01 -0.18 -0.04 0.88 0.66 1zx2B1 CYS 9 H -0.30 0.58 -0.13 -0.55 8.50 8.10 1zx2B1 CYS 9 HA -0.15 0.02 0.37 -0.75 4.58 4.06 1zx2B1 CYS 9 HB2 -0.77 0.04 0.08 -0.04 2.97 2.28 1zx2B1 CYS 9 HB3 -0.30 -0.03 -0.07 -0.04 2.97 2.53 1zx2B1 PHE 10 H 0.24 0.65 -0.08 -0.55 8.34 8.60 1zx2B1 PHE 10 HA -0.01 0.01 0.49 -0.75 4.62 4.36 1zx2B1 PHE 10 HB2 -0.04 0.12 0.17 -0.04 3.15 3.36 1zx2B1 PHE 10 HB3 -0.01 -0.02 -0.12 -0.04 3.06 2.88 1zx2B1 PHE 10 HD2 -0.02 0.16 0.06 -0.04 7.28 7.44 1zx2B1 PHE 10 HE2 0.12 -0.02 -0.02 -0.04 7.38 7.41 1zx2B1 PHE 10 HZ 0.09 0.01 -0.02 -0.04 7.32 7.35 1zx2B1 ALA 11 H 0.12 0.56 -0.13 -0.55 8.40 8.40 1zx2B1 ALA 11 HA 0.08 0.02 0.50 -0.75 4.34 4.18 1zx2B1 ALA 11 HB3 0.07 0.01 0.10 -0.04 1.41 1.55 1zx2B1 PHE 12 H 0.09 0.59 -0.14 -0.55 8.34 8.32 1zx2B1 PHE 12 HA -0.07 0.02 0.36 -0.75 4.62 4.17 1zx2B1 PHE 12 HB2 -0.17 -0.00 0.05 -0.04 3.15 2.98 1zx2B1 PHE 12 HB3 -0.26 0.06 0.12 -0.04 3.06 2.95 1zx2B1 PHE 12 HD2 -0.31 0.03 -0.08 -0.04 7.28 6.88 1zx2B1 PHE 12 HE2 -1.11 0.01 -0.09 -0.04 7.38 6.15 1zx2B1 PHE 12 HZ -1.71 0.00 -0.11 -0.04 7.32 5.46 1zx2B1 LEU 13 H -0.14 0.77 -0.05 -0.55 8.37 8.41 1zx2B1 LEU 13 HA -1.04 -0.00 0.49 -0.75 4.35 3.04 1zx2B1 LEU 13 HB2 -0.15 0.11 0.12 -0.04 1.64 1.67 1zx2B1 LEU 13 HB3 -0.16 -0.05 -0.03 -0.04 1.64 1.36 1zx2B1 LEU 13 HG -0.04 0.04 0.04 -0.04 1.64 1.63 1zx2B1 LEU 13 HD13 0.03 -0.01 -0.09 -0.04 0.93 0.82 1zx2B1 LEU 13 HD23 -0.30 -0.02 -0.07 -0.04 0.89 0.46 1zx2B1 GLN 14 H -0.09 0.61 -0.11 -0.55 8.47 8.33 1zx2B1 GLN 14 HA 0.01 0.01 0.50 -0.75 4.36 4.12 1zx2B1 GLN 14 HB2 0.05 -0.03 0.09 -0.04 2.15 2.22 1zx2B1 GLN 14 HB3 0.02 0.13 0.16 -0.04 2.02 2.29 1zx2B1 GLN 14 HG2 0.01 0.02 -0.43 -0.04 2.40 1.97 1zx2B1 GLN 14 HG3 0.03 -0.04 -0.10 -0.04 2.39 2.23 1zx2B1 GLN 14 HE21 0.04 -0.03 -0.03 -0.04 6.97 6.91 1zx2B1 GLN 14 HE22 0.05 0.04 -0.00 -0.04 7.69 7.73 1zx2B1 ASN 15 H -0.10 0.59 -0.10 -0.55 8.53 8.37 1zx2B1 ASN 15 HA -0.01 0.02 0.55 -0.75 4.76 4.56 1zx2B1 ASN 15 HB2 0.01 0.29 0.21 -0.04 2.88 3.35 1zx2B1 ASN 15 HB3 -0.02 0.03 0.04 -0.04 2.79 2.80 1zx2B1 ASN 15 HD21 0.23 -0.03 -0.02 -0.04 7.03 7.16 1zx2B1 ASN 15 HD22 0.54 0.02 -0.04 -0.04 7.74 8.22 1zx2B1 TYR 16 H -0.58 0.62 -0.13 -0.55 8.29 7.65 1zx2B1 TYR 16 HA -1.01 0.00 0.34 -0.75 4.56 3.14 1zx2B1 TYR 16 HB2 -1.77 0.04 0.09 -0.04 3.06 1.38 1zx2B1 TYR 16 HB3 -1.30 0.03 0.17 -0.04 2.98 1.84 1zx2B1 TYR 16 HD2 -0.82 0.02 -0.15 -0.04 7.15 6.16 1zx2B1 TYR 16 HE2 0.17 0.01 -0.11 -0.04 6.85 6.87 1zx2B1 TYR 17 H -0.25 0.70 -0.01 -0.55 8.29 8.18 1zx2B1 TYR 17 HA -0.06 0.02 0.42 -0.75 4.56 4.18 1zx2B1 TYR 17 HB2 -0.03 0.11 0.12 -0.04 3.06 3.22 1zx2B1 TYR 17 HB3 -0.00 -0.01 0.05 -0.04 2.98 2.98 1zx2B1 TYR 17 HD2 0.09 0.01 -0.07 -0.04 7.15 7.14 1zx2B1 TYR 17 HE2 0.17 -0.02 -0.10 -0.04 6.85 6.86 1zx2B1 GLU 18 H -0.02 0.48 -0.29 -0.55 8.60 8.22 1zx2B1 GLU 18 HA 0.00 0.03 0.48 -0.75 4.29 4.06 1zx2B1 GLU 18 HB2 0.01 -0.02 0.11 -0.04 2.09 2.14 1zx2B1 GLU 18 HB3 -0.02 0.19 0.22 -0.04 1.99 2.34 1zx2B1 GLU 18 HG2 0.01 -0.03 -0.04 -0.04 2.34 2.24 1zx2B1 GLU 18 HG3 -0.00 -0.01 -0.40 -0.04 2.34 1.89 1zx2B1 ARG 19 H -0.09 0.58 -0.16 -0.55 8.46 8.23 1zx2B1 ARG 19 HA -0.02 -0.02 0.48 -0.75 4.34 4.03 1zx2B1 ARG 19 HB2 0.14 0.04 0.10 -0.04 1.90 2.13 1zx2B1 ARG 19 HB3 -0.09 0.14 0.11 -0.04 1.80 1.92 1zx2B1 ARG 19 HG2 0.21 -0.00 -0.16 -0.04 1.67 1.68 1zx2B1 ARG 19 HG3 0.01 -0.03 -0.26 -0.04 1.67 1.35 1zx2B1 ARG 19 HD2 -0.01 0.15 0.08 -0.04 3.22 3.40 1zx2B1 ARG 19 HD3 -0.01 -0.09 0.17 -0.04 3.22 3.25 1zx2B1 MET 20 H -0.20 0.50 -0.27 -0.55 8.47 7.95 1zx2B1 MET 20 HA -0.16 -0.06 0.38 -0.75 4.52 3.93 1zx2B1 MET 20 HB2 -0.26 -0.01 0.06 -0.04 2.15 1.89 1zx2B1 MET 20 HB3 0.01 0.17 0.12 -0.04 2.03 2.29 1zx2B1 MET 20 HG2 0.06 0.16 -0.12 -0.04 2.63 2.68 1zx2B1 MET 20 HG3 -0.02 -0.10 -0.00 -0.04 2.56 2.40 1zx2B1 MET 20 HE3 0.32 -0.02 -0.06 -0.04 2.10 2.30 1zx2B1 ARG 21 H -0.03 0.31 -0.34 -0.55 8.46 7.84 1zx2B1 ARG 21 HA -0.02 0.17 0.50 -0.75 4.34 4.24 1zx2B1 ARG 21 HB2 -0.01 0.08 0.18 -0.04 1.90 2.11 1zx2B1 ARG 21 HB3 -0.02 -0.06 -0.13 -0.04 1.80 1.55 1zx2B1 ARG 21 HG2 -0.02 0.06 0.06 -0.04 1.67 1.72 1zx2B1 ARG 21 HG3 -0.00 -0.01 0.03 -0.04 1.67 1.65 1zx2B1 ARG 21 HD2 -0.02 -0.06 0.00 -0.04 3.22 3.10 1zx2B1 ARG 21 HD3 -0.01 -0.02 -0.00 -0.04 3.22 3.15 1zx2B1 THR 22 H -0.03 0.25 -0.18 -0.55 8.28 7.77 1zx2B1 THR 22 HA -0.03 0.14 0.77 -0.75 4.39 4.52 1zx2B1 THR 22 HB -0.02 -0.08 0.03 -0.04 4.32 4.21 1zx2B1 THR 22 HG23 -0.02 0.00 -0.05 -0.04 1.22 1.12 1zx2B1 ASP 23 H -0.04 0.64 0.01 -0.55 8.40 8.46 1zx2B1 ASP 23 HA -0.02 0.13 0.66 -0.75 4.63 4.64 1zx2B1 ASP 23 HB2 -0.02 0.12 -0.34 -0.04 2.71 2.42 1zx2B1 ASP 23 HB3 -0.02 -0.05 0.10 -0.04 2.70 2.69 1zx2B1 PRO 24 HA -0.12 0.06 0.41 -0.51 4.44 4.29 1zx2B1 PRO 24 HB2 0.00 0.02 -0.05 -0.04 2.28 2.21 1zx2B1 PRO 24 HB3 -0.01 0.01 0.05 -0.04 2.02 2.03 1zx2B1 PRO 24 HG2 -0.04 0.13 0.11 -0.04 2.03 2.19 1zx2B1 PRO 24 HG3 -0.06 0.25 0.05 -0.04 2.03 2.23 1zx2B1 PRO 24 HD2 -0.02 0.04 0.09 -0.04 3.68 3.75 1zx2B1 PRO 24 HD3 -0.04 0.27 -0.23 -0.04 3.65 3.61 1zx2B1 SER 25 H 0.01 0.16 -0.34 -0.55 8.46 7.74 1zx2B1 SER 25 HA 0.07 0.09 0.42 -0.75 4.49 4.32 1zx2B1 SER 25 HB2 0.03 -0.00 0.09 -0.04 3.95 4.03 1zx2B1 SER 25 HB3 0.02 0.03 0.06 -0.04 3.93 4.00 1zx2B1 LYS 26 H 0.02 0.52 -0.37 -0.55 8.42 8.03 1zx2B1 LYS 26 HA 0.06 0.17 0.90 -0.75 4.32 4.69 1zx2B1 LYS 26 HB2 -0.01 0.17 0.05 -0.04 1.87 2.04 1zx2B1 LYS 26 HB3 -0.05 -0.04 0.10 -0.04 1.79 1.76 1zx2B1 LYS 26 HG2 -0.03 -0.00 -0.05 -0.04 1.46 1.34 1zx2B1 LYS 26 HG3 -0.01 -0.06 -0.20 -0.04 1.46 1.14 1zx2B1 LYS 26 HD2 -0.04 0.04 -0.03 -0.04 1.69 1.62 1zx2B1 LYS 26 HD3 -0.09 -0.01 -0.02 -0.04 1.68 1.52 1zx2B1 LYS 26 HE2 -0.06 -0.02 -0.03 -0.04 2.99 2.84 1zx2B1 LYS 26 HE3 -0.03 -0.00 -0.05 -0.04 2.99 2.86 1zx2B1 LEU 27 H 0.04 0.40 -0.21 -0.55 8.37 8.06 1zx2B1 LEU 27 HA 0.28 0.07 0.32 -0.75 4.35 4.26 1zx2B1 LEU 27 HB2 -0.20 0.24 0.13 -0.04 1.64 1.77 1zx2B1 LEU 27 HB3 -0.13 -0.05 -0.13 -0.04 1.64 1.30 1zx2B1 LEU 27 HG -0.25 0.06 -0.12 -0.04 1.64 1.29 1zx2B1 LEU 27 HD13 -0.90 0.00 -0.03 -0.04 0.93 -0.04 1zx2B1 LEU 27 HD23 -0.57 -0.00 -0.05 -0.04 0.89 0.22 1zx2B1 ALA 28 H 0.24 0.20 -0.33 -0.55 8.40 7.97 1zx2B1 ALA 28 HA 0.43 0.05 0.30 -0.75 4.34 4.36 1zx2B1 ALA 28 HB3 0.18 0.02 -0.02 -0.04 1.41 1.54 1zx2B1 TYR 29 H 0.28 0.36 -0.51 -0.55 8.29 7.87 1zx2B1 TYR 29 HA 0.05 0.01 0.46 -0.75 4.56 4.33 1zx2B1 TYR 29 HB2 -0.06 -0.06 0.09 -0.04 3.06 2.99 1zx2B1 TYR 29 HB3 -0.18 0.31 0.08 -0.04 2.98 3.15 1zx2B1 TYR 29 HD2 -0.60 0.01 -0.09 -0.04 7.15 6.43 1zx2B1 TYR 29 HE2 -0.22 -0.03 -0.03 -0.04 6.85 6.53 1zx2B1 PHE 30 H 0.45 0.54 -0.27 -0.55 8.34 8.51 1zx2B1 PHE 30 HA -0.14 0.11 0.67 -0.75 4.62 4.51 1zx2B1 PHE 30 HB2 0.21 0.16 0.05 -0.04 3.15 3.53 1zx2B1 PHE 30 HB3 0.13 -0.11 0.05 -0.04 3.06 3.09 1zx2B1 PHE 30 HD2 0.17 0.08 0.07 -0.04 7.28 7.56 1zx2B1 PHE 30 HE2 0.05 -0.02 -0.07 -0.04 7.38 7.30 1zx2B1 PHE 30 HZ 0.02 0.02 -0.16 -0.04 7.32 7.16 1zx2B1 TYR 31 H 0.47 0.44 -0.32 -0.55 8.29 8.33 1zx2B1 TYR 31 HA 0.15 0.01 0.91 -0.75 4.56 4.88 1zx2B1 TYR 31 HB2 0.17 0.12 0.10 -0.04 3.06 3.41 1zx2B1 TYR 31 HB3 0.14 0.02 0.03 -0.04 2.98 3.13 1zx2B1 TYR 31 HD2 0.27 0.03 -0.12 -0.04 7.15 7.29 1zx2B1 TYR 31 HE2 0.40 0.01 -0.23 -0.04 6.85 7.00 1zx2B1 ALA 32 H 0.14 0.67 0.19 -0.55 8.40 8.85 1zx2B1 ALA 32 HA 0.05 0.11 0.65 -0.75 4.34 4.40 1zx2B1 ALA 32 HB3 0.06 -0.01 0.02 -0.04 1.41 1.43 1zx2B1 SER 33 H 0.04 0.16 0.18 -0.55 8.46 8.29 1zx2B1 SER 33 HA 0.06 0.06 0.37 -0.75 4.49 4.23 1zx2B1 SER 33 HB2 0.02 -0.02 0.15 -0.04 3.95 4.06 1zx2B1 SER 33 HB3 0.03 0.03 -0.05 -0.04 3.93 3.89 1zx2B1 THR 34 H 0.04 0.07 -0.15 -0.55 8.28 7.69 1zx2B1 THR 34 HA 0.03 0.14 0.83 -0.75 4.39 4.64 1zx2B1 THR 34 HB 0.02 0.05 0.18 -0.04 4.32 4.53 1zx2B1 THR 34 HG23 0.02 -0.00 -0.04 -0.04 1.22 1.15 1zx2B1 ALA 35 H 0.10 0.45 -0.35 -0.55 8.40 8.06 1zx2B1 ALA 35 HA 0.10 0.11 0.23 -0.75 4.34 4.03 1zx2B1 ALA 35 HB3 0.29 0.00 -0.03 -0.04 1.41 1.63 1zx2B1 GLU 36 H 0.10 0.59 0.34 -0.55 8.60 9.08 1zx2B1 GLU 36 HA 0.02 0.30 1.32 -0.75 4.29 5.17 1zx2B1 GLU 36 HB2 0.04 -0.01 0.22 -0.04 2.09 2.30 1zx2B1 GLU 36 HB3 0.01 -0.00 -0.07 -0.04 1.99 1.89 1zx2B1 GLU 36 HG2 -0.00 0.01 -0.01 -0.04 2.34 2.29 1zx2B1 GLU 36 HG3 0.02 0.06 -0.10 -0.04 2.34 2.28 1zx2B1 LEU 37 H -0.04 0.77 0.39 -0.55 8.37 8.94 1zx2B1 LEU 37 HA 0.06 0.26 0.98 -0.75 4.35 4.89 1zx2B1 LEU 37 HB2 -0.02 -0.03 -0.19 -0.04 1.64 1.36 1zx2B1 LEU 37 HB3 -0.16 -0.02 0.03 -0.04 1.64 1.44 1zx2B1 LEU 37 HG -0.25 -0.01 -0.47 -0.04 1.64 0.87 1zx2B1 LEU 37 HD13 0.23 0.03 -0.12 -0.04 0.93 1.03 1zx2B1 LEU 37 HD23 -0.53 -0.01 -0.15 -0.04 0.89 0.16 1zx2B1 THR 38 H -0.04 0.71 0.44 -0.55 8.28 8.84 1zx2B1 THR 38 HA -0.13 0.33 1.09 -0.75 4.39 4.93 1zx2B1 THR 38 HB -0.08 -0.07 0.28 -0.04 4.32 4.41 1zx2B1 THR 38 HG23 -0.09 -0.00 -0.09 -0.04 1.22 0.99 1zx2B1 HIS 39 H -0.17 0.65 0.30 -0.55 8.41 8.64 1zx2B1 HIS 39 HA -0.25 0.24 1.05 -0.75 4.63 4.92 1zx2B1 HIS 39 HB2 -0.35 -0.08 -0.27 -0.04 3.26 2.52 1zx2B1 HIS 39 HB3 -0.61 -0.04 -0.02 -0.04 3.20 2.48 1zx2B1 HIS 39 HD2 0.23 -0.06 -0.11 -0.04 6.97 6.98 1zx2B1 HIS 39 HE1 -0.12 0.01 -0.10 -0.04 7.75 7.49 1zx2B1 THR 40 H -0.56 0.33 0.28 -0.55 8.28 7.78 1zx2B1 THR 40 HA -0.18 0.04 0.64 -0.75 4.39 4.14 1zx2B1 THR 40 HB -1.09 -0.02 0.10 -0.04 4.32 3.27 1zx2B1 THR 40 HG23 -0.13 0.11 -0.09 -0.04 1.22 1.07 1zx2B1 ASN 41 H -0.03 0.72 0.53 -0.55 8.53 9.20 1zx2B1 ASN 41 HA 0.18 0.03 0.51 -0.75 4.76 4.73 1zx2B1 ASN 41 HB2 0.06 0.07 0.15 -0.04 2.88 3.12 1zx2B1 ASN 41 HB3 0.09 -0.01 0.10 -0.04 2.79 2.93 1zx2B1 ASN 41 HD21 0.10 -0.01 -0.02 -0.04 7.03 7.06 1zx2B1 ASN 41 HD22 0.07 0.02 -0.05 -0.04 7.74 7.74 1zx2B1 TYR 42 H 0.31 0.10 0.07 -0.55 8.29 8.21 1zx2B1 TYR 42 HA 0.29 0.24 0.61 -0.75 4.56 4.94 1zx2B1 TYR 42 HB2 0.05 -0.02 0.10 -0.04 3.06 3.14 1zx2B1 TYR 42 HB3 0.13 0.01 0.05 -0.04 2.98 3.13 1zx2B1 TYR 42 HD2 0.08 -0.02 -0.05 -0.04 7.15 7.12 1zx2B1 TYR 42 HE2 0.14 0.01 -0.09 -0.04 6.85 6.86 1zx2B1 PRO 55 HA -0.03 -0.08 0.29 -0.51 4.44 4.11 1zx2B1 PRO 55 HB2 0.00 -0.03 0.03 -0.04 2.28 2.24 1zx2B1 PRO 55 HB3 -0.00 -0.00 0.06 -0.04 2.02 2.04 1zx2B1 PRO 55 HG2 0.02 0.00 -0.18 -0.04 2.03 1.83 1zx2B1 PRO 55 HG3 0.01 0.00 0.05 -0.04 2.03 2.05 1zx2B1 PRO 55 HD2 -0.03 -0.00 0.36 -0.04 3.68 3.96 1zx2B1 PRO 55 HD3 -0.02 0.02 0.15 -0.04 3.65 3.76 1zx2B1 THR 56 H -0.05 0.15 0.17 -0.55 8.28 8.00 1zx2B1 THR 56 HA -0.09 0.19 1.08 -0.75 4.39 4.82 1zx2B1 THR 56 HB -0.11 0.04 -0.15 -0.04 4.32 4.06 1zx2B1 THR 56 HG23 -0.11 -0.00 -0.13 -0.04 1.22 0.94 1zx2B1 VAL 57 H -0.11 0.75 0.32 -0.55 8.24 8.65 1zx2B1 VAL 57 HA -0.07 0.10 0.82 -0.75 4.13 4.23 1zx2B1 VAL 57 HB -0.36 0.04 0.08 -0.04 2.12 1.84 1zx2B1 VAL 57 HG13 -0.15 -0.00 -0.17 -0.04 0.97 0.61 1zx2B1 VAL 57 HG23 0.09 0.00 -0.05 -0.04 0.95 0.95 1zx2B1 LYS 58 H -0.09 0.22 0.17 -0.55 8.42 8.17 1zx2B1 LYS 58 HA -0.12 0.34 1.12 -0.75 4.32 4.90 1zx2B1 LYS 58 HB2 -0.07 -0.03 -0.06 -0.04 1.87 1.67 1zx2B1 LYS 58 HB3 -0.06 -0.02 0.17 -0.04 1.79 1.84 1zx2B1 LYS 58 HG2 -0.05 -0.02 -0.08 -0.04 1.46 1.27 1zx2B1 LYS 58 HG3 -0.06 0.07 0.04 -0.04 1.46 1.47 1zx2B1 LYS 58 HD2 -0.04 -0.01 -0.04 -0.04 1.69 1.56 1zx2B1 LYS 58 HD3 -0.03 -0.01 -0.03 -0.04 1.68 1.56 1zx2B1 LYS 58 HE2 -0.03 0.01 -0.06 -0.04 2.99 2.87 1zx2B1 LYS 58 HE3 -0.04 -0.00 -0.05 -0.04 2.99 2.86 1zx2B1 VAL 59 H -0.14 0.78 0.37 -0.55 8.24 8.69 1zx2B1 VAL 59 HA -0.07 0.17 0.64 -0.75 4.13 4.12 1zx2B1 VAL 59 HB -0.08 -0.05 -0.04 -0.04 2.12 1.91 1zx2B1 VAL 59 HG13 -0.09 -0.01 -0.14 -0.04 0.97 0.69 1zx2B1 VAL 59 HG23 -0.23 0.01 -0.23 -0.04 0.95 0.46 1zx2B1 THR 60 H -0.04 0.24 0.21 -0.55 8.28 8.14 1zx2B1 THR 60 HA -0.01 0.35 1.16 -0.75 4.39 5.13 1zx2B1 THR 60 HB -0.01 -0.04 0.06 -0.04 4.32 4.29 1zx2B1 THR 60 HG23 0.01 0.02 -0.12 -0.04 1.22 1.09 1zx2B1 GLY 61 H 0.02 0.76 0.07 -0.55 8.43 8.73 1zx2B1 GLY 61 HA2 0.03 0.24 0.51 -0.51 4.01 4.28 1zx2B1 GLY 61 HA3 0.01 0.05 0.74 -0.51 4.01 4.30 1zx2B1 ARG 62 H 0.05 0.52 0.27 -0.55 8.46 8.75 1zx2B1 ARG 62 HA 0.04 0.05 0.24 -0.75 4.34 3.92 1zx2B1 ARG 62 HB2 0.10 0.15 -0.00 -0.04 1.90 2.11 1zx2B1 ARG 62 HB3 0.06 -0.07 0.13 -0.04 1.80 1.89 1zx2B1 ARG 62 HG2 0.09 -0.07 -0.15 -0.04 1.67 1.51 1zx2B1 ARG 62 HG3 0.13 -0.10 -0.01 -0.04 1.67 1.65 1zx2B1 ARG 62 HD2 0.14 0.05 -0.11 -0.04 3.22 3.26 1zx2B1 ARG 62 HD3 0.16 0.19 -0.03 -0.04 3.22 3.49 1zx2B1 GLU 63 H 0.03 0.12 -0.20 -0.55 8.60 8.00 1zx2B1 GLU 63 HA 0.04 0.08 0.32 -0.75 4.29 3.98 1zx2B1 GLU 63 HB2 0.02 -0.00 0.10 -0.04 2.09 2.17 1zx2B1 GLU 63 HB3 0.02 0.04 -0.03 -0.04 1.99 1.99 1zx2B1 GLU 63 HG2 0.03 0.04 0.02 -0.04 2.34 2.38 1zx2B1 GLU 63 HG3 0.04 -0.01 -0.01 -0.04 2.34 2.32 1zx2B1 ASN 64 H 0.01 0.22 -0.17 -0.55 8.53 8.04 1zx2B1 ASN 64 HA 0.01 0.04 0.52 -0.75 4.76 4.57 1zx2B1 ASN 64 HB2 -0.02 0.26 0.03 -0.04 2.88 3.10 1zx2B1 ASN 64 HB3 -0.02 -0.05 0.03 -0.04 2.79 2.70 1zx2B1 ASN 64 HD21 -0.00 -0.04 0.08 -0.04 7.03 7.02 1zx2B1 ASN 64 HD22 -0.01 0.18 0.19 -0.04 7.74 8.06 1zx2B1 ILE 65 H -0.03 0.48 -0.35 -0.55 8.25 7.81 1zx2B1 ILE 65 HA -0.15 0.02 0.24 -0.75 4.18 3.54 1zx2B1 ILE 65 HB -0.10 0.08 0.03 -0.04 1.89 1.86 1zx2B1 ILE 65 HG12 -0.25 -0.03 -0.19 -0.04 1.49 0.97 1zx2B1 ILE 65 HG13 -0.12 -0.03 -0.32 -0.04 1.21 0.70 1zx2B1 ILE 65 HG23 -0.34 -0.01 -0.23 -0.04 0.93 0.31 1zx2B1 ILE 65 HD13 -0.17 -0.00 -0.41 -0.04 0.88 0.25 1zx2B1 ASN 66 H 0.06 0.73 -0.09 -0.55 8.53 8.68 1zx2B1 ASN 66 HA 0.20 -0.03 0.42 -0.75 4.76 4.59 1zx2B1 ASN 66 HB2 0.10 -0.02 0.10 -0.04 2.88 3.03 1zx2B1 ASN 66 HB3 0.07 0.16 0.18 -0.04 2.79 3.16 1zx2B1 ASN 66 HD21 0.08 0.06 0.11 -0.04 7.03 7.23 1zx2B1 ASN 66 HD22 0.13 -0.11 0.07 -0.04 7.74 7.80 1zx2B1 LYS 67 H 0.04 0.46 -0.22 -0.55 8.42 8.16 1zx2B1 LYS 67 HA 0.03 -0.01 0.29 -0.75 4.32 3.88 1zx2B1 LYS 67 HB2 0.03 0.07 0.18 -0.04 1.87 2.12 1zx2B1 LYS 67 HB3 0.03 -0.03 0.00 -0.04 1.79 1.75 1zx2B1 LYS 67 HG2 0.02 -0.04 0.04 -0.04 1.46 1.44 1zx2B1 LYS 67 HG3 0.03 0.09 0.06 -0.04 1.46 1.60 1zx2B1 LYS 67 HD2 0.02 -0.02 -0.02 -0.04 1.69 1.63 1zx2B1 LYS 67 HD3 0.02 -0.01 0.00 -0.04 1.68 1.65 1zx2B1 LYS 67 HE2 0.02 -0.00 -0.01 -0.04 2.99 2.95 1zx2B1 LYS 67 HE3 0.02 -0.01 -0.04 -0.04 2.99 2.91 1zx2B1 PHE 68 H 0.08 0.54 -0.25 -0.55 8.34 8.17 1zx2B1 PHE 68 HA -0.09 -0.01 0.38 -0.75 4.62 4.15 1zx2B1 PHE 68 HB2 -0.19 -0.03 0.04 -0.04 3.15 2.94 1zx2B1 PHE 68 HB3 -0.40 0.12 0.12 -0.04 3.06 2.86 1zx2B1 PHE 68 HD2 -0.72 0.00 -0.13 -0.04 7.28 6.40 1zx2B1 PHE 68 HE2 -0.45 -0.02 -0.10 -0.04 7.38 6.77 1zx2B1 PHE 68 HZ -0.32 0.14 -0.13 -0.04 7.32 6.98 1zx2B1 PHE 69 H 0.05 0.57 -0.07 -0.55 8.34 8.34 1zx2B1 PHE 69 HA -0.21 0.04 0.34 -0.75 4.62 4.03 1zx2B1 PHE 69 HB2 0.07 0.04 0.09 -0.04 3.15 3.31 1zx2B1 PHE 69 HB3 0.03 -0.00 -0.01 -0.04 3.06 3.03 1zx2B1 PHE 69 HD2 0.08 -0.01 -0.11 -0.04 7.28 7.20 1zx2B1 PHE 69 HE2 0.21 -0.01 -0.13 -0.04 7.38 7.40 1zx2B1 PHE 69 HZ 0.49 -0.02 -0.12 -0.04 7.32 7.63 1zx2B1 SER 70 H 0.09 0.80 -0.13 -0.55 8.46 8.68 1zx2B1 SER 70 HA 0.03 -0.05 0.29 -0.75 4.49 4.00 1zx2B1 SER 70 HB2 0.03 0.06 0.10 -0.04 3.95 4.09 1zx2B1 SER 70 HB3 0.02 -0.06 -0.00 -0.04 3.93 3.84 1zx2B1 ARG 71 H -0.05 0.70 -0.07 -0.55 8.46 8.50 1zx2B1 ARG 71 HA -0.04 -0.00 0.43 -0.75 4.34 3.98 1zx2B1 ASN 72 H -0.21 0.43 -0.45 -0.55 8.53 7.75 1zx2B1 ASN 72 HA -0.15 0.11 0.82 -0.75 4.76 4.78 1zx2B1 ASN 72 HB2 -0.53 0.23 0.11 -0.04 2.88 2.65 1zx2B1 ASN 72 HB3 -0.55 -0.12 0.18 -0.04 2.79 2.25 1zx2B1 ASN 72 HD21 -0.30 -0.09 -0.02 -0.04 7.03 6.57 1zx2B1 ASN 72 HD22 -1.00 0.46 0.08 -0.04 7.74 7.24 1zx2B1 ASP 73 H -0.08 0.41 -0.39 -0.55 8.40 7.79 1zx2B1 ASP 73 HA -0.06 0.07 0.22 -0.75 4.63 4.11 1zx2B1 ASP 73 HB2 -0.03 0.33 0.23 -0.04 2.71 3.20 1zx2B1 ASP 73 HB3 -0.03 -0.10 0.16 -0.04 2.70 2.69 1zx2B1 ALA 74 H -0.05 0.13 -0.08 -0.55 8.40 7.85 1zx2B1 ALA 74 HA -0.02 0.10 0.34 -0.75 4.34 4.01 1zx2B1 ALA 74 HB3 0.00 0.01 0.06 -0.04 1.41 1.44 1zx2B1 LYS 75 H -0.09 0.13 -0.20 -0.55 8.42 7.70 1zx2B1 LYS 75 HA 0.05 0.06 0.51 -0.75 4.32 4.19 1zx2B1 LYS 75 HB2 -0.23 0.08 0.14 -0.04 1.87 1.82 1zx2B1 LYS 75 HB3 0.01 0.01 0.03 -0.04 1.79 1.80 1zx2B1 LYS 75 HG2 0.08 0.02 0.01 -0.04 1.46 1.53 1zx2B1 LYS 75 HG3 0.01 -0.07 0.01 -0.04 1.46 1.37 1zx2B1 LYS 75 HD2 0.06 -0.05 0.04 -0.04 1.69 1.70 1zx2B1 LYS 75 HD3 0.13 0.10 0.02 -0.04 1.68 1.89 1zx2B1 LYS 75 HE2 0.05 0.02 -0.00 -0.04 2.99 3.01 1zx2B1 LYS 75 HE3 0.03 -0.02 0.01 -0.04 2.99 2.96 1zx2B1 VAL 76 H -0.27 0.54 -0.08 -0.55 8.24 7.88 1zx2B1 VAL 76 HA -0.11 -0.02 0.43 -0.75 4.13 3.68 1zx2B1 VAL 76 HB -0.09 0.08 0.13 -0.04 2.12 2.20 1zx2B1 VAL 76 HG13 0.04 0.03 -0.05 -0.04 0.97 0.95 1zx2B1 VAL 76 HG23 -0.21 -0.00 -0.01 -0.04 0.95 0.68 1zx2B1 ARG 77 H -0.05 0.51 -0.08 -0.55 8.46 8.29 1zx2B1 ARG 77 HA -0.01 0.16 0.34 -0.75 4.34 4.08 1zx2B1 ARG 77 HB2 -0.02 0.02 0.09 -0.04 1.90 1.94 1zx2B1 ARG 77 HB3 -0.03 -0.06 -0.00 -0.04 1.80 1.67 1zx2B1 ARG 77 HG2 -0.03 0.19 -0.11 -0.04 1.67 1.68 1zx2B1 ARG 77 HG3 -0.03 -0.02 -0.02 -0.04 1.67 1.56 1zx2B1 ARG 77 HD2 -0.02 -0.10 -0.12 -0.04 3.22 2.93 1zx2B1 ARG 77 HD3 -0.02 -0.05 -0.01 -0.04 3.22 3.09 1zx2B1 SER 78 H 0.03 0.27 -0.40 -0.55 8.46 7.81 1zx2B1 SER 78 HA -0.08 0.03 0.61 -0.75 4.49 4.29 1zx2B1 SER 78 HB2 0.10 -0.14 0.12 -0.04 3.95 3.99 1zx2B1 SER 78 HB3 0.11 0.08 0.13 -0.04 3.93 4.21 1zx2B1 LEU 79 H 0.11 0.44 -0.15 -0.55 8.37 8.22 1zx2B1 LEU 79 HA 0.13 0.20 0.96 -0.75 4.35 4.90 1zx2B1 LEU 79 HB2 0.23 0.13 0.18 -0.04 1.64 2.14 1zx2B1 LEU 79 HB3 0.11 -0.11 -0.10 -0.04 1.64 1.50 1zx2B1 LEU 79 HG 0.27 0.02 -0.06 -0.04 1.64 1.83 1zx2B1 LEU 79 HD13 0.11 -0.02 -0.09 -0.04 0.93 0.89 1zx2B1 LEU 79 HD23 0.11 -0.02 -0.20 -0.04 0.89 0.75 1zx2B1 LYS 80 H 0.07 0.48 0.26 -0.55 8.42 8.68 1zx2B1 LYS 80 HA 0.02 0.12 0.60 -0.75 4.32 4.30 1zx2B1 LYS 80 HB2 0.01 0.05 0.13 -0.04 1.87 2.02 1zx2B1 LYS 80 HB3 0.08 -0.10 -0.04 -0.04 1.79 1.69 1zx2B1 LYS 80 HG2 -0.02 0.03 -0.00 -0.04 1.46 1.43 1zx2B1 LYS 80 HG3 -0.04 0.06 -0.00 -0.04 1.46 1.43 1zx2B1 LYS 80 HD2 -0.08 -0.04 -0.04 -0.04 1.69 1.48 1zx2B1 LYS 80 HD3 -0.07 -0.04 -0.12 -0.04 1.68 1.40 1zx2B1 LYS 80 HE2 -0.06 0.02 -0.05 -0.04 2.99 2.86 1zx2B1 LYS 80 HE3 -0.05 0.03 -0.02 -0.04 2.99 2.91 1zx2B1 LEU 81 H -0.04 0.20 0.16 -0.55 8.37 8.15 1zx2B1 LEU 81 HA 0.02 0.15 0.56 -0.75 4.35 4.32 1zx2B1 LEU 81 HB2 -0.29 0.04 -0.07 -0.04 1.64 1.28 1zx2B1 LEU 81 HB3 -0.23 0.04 0.16 -0.04 1.64 1.57 1zx2B1 LEU 81 HG -1.09 0.00 -0.05 -0.04 1.64 0.46 1zx2B1 LEU 81 HD13 -0.54 -0.02 -0.31 -0.04 0.93 0.03 1zx2B1 LEU 81 HD23 -1.10 -0.00 -0.17 -0.04 0.89 -0.43 1zx2B1 LYS 82 H 0.29 0.79 0.36 -0.55 8.42 9.30 1zx2B1 LYS 82 HA 0.06 0.14 0.75 -0.75 4.32 4.53 1zx2B1 LYS 82 HB2 0.35 -0.03 0.12 -0.04 1.87 2.27 1zx2B1 LYS 82 HB3 0.09 0.03 -0.01 -0.04 1.79 1.86 1zx2B1 LYS 82 HG2 0.01 0.12 -0.27 -0.04 1.46 1.27 1zx2B1 LYS 82 HG3 -0.12 -0.00 -0.15 -0.04 1.46 1.15 1zx2B1 LYS 82 HD2 -0.09 -0.01 -0.02 -0.04 1.69 1.52 1zx2B1 LYS 82 HD3 -0.08 0.01 -0.01 -0.04 1.68 1.56 1zx2B1 LYS 82 HE2 -0.27 -0.00 -0.07 -0.04 2.99 2.61 1zx2B1 LYS 82 HE3 -0.67 -0.01 -0.08 -0.04 2.99 2.19 1zx2B1 LEU 83 H 0.08 0.17 0.04 -0.55 8.37 8.12 1zx2B1 LEU 83 HA 0.17 0.05 0.44 -0.75 4.35 4.25 1zx2B1 LEU 83 HB2 0.12 -0.01 -0.01 -0.04 1.64 1.70 1zx2B1 LEU 83 HB3 0.08 0.01 0.10 -0.04 1.64 1.78 1zx2B1 LEU 83 HG 0.10 -0.02 -0.10 -0.04 1.64 1.57 1zx2B1 LEU 83 HD13 0.04 -0.01 -0.42 -0.04 0.93 0.50 1zx2B1 LEU 83 HD23 0.25 0.00 -0.03 -0.04 0.89 1.07 1zx2B1 ASP 84 H -0.03 0.59 0.66 -0.55 8.40 9.08 1zx2B1 ASP 84 HA 0.02 0.18 1.00 -0.75 4.63 5.08 1zx2B1 ASP 84 HB2 -0.07 -0.00 0.09 -0.04 2.71 2.69 1zx2B1 ASP 84 HB3 -0.02 -0.03 -0.00 -0.04 2.70 2.61 1zx2B1 THR 85 H -0.05 0.45 0.39 -0.55 8.28 8.53 1zx2B1 THR 85 HA -0.01 0.23 0.93 -0.75 4.39 4.78 1zx2B1 THR 85 HB -0.04 0.03 0.06 -0.04 4.32 4.33 1zx2B1 THR 85 HG23 -0.04 0.01 -0.14 -0.04 1.22 1.01 1zx2B1 ILE 86 H -0.03 0.28 0.20 -0.55 8.25 8.15 1zx2B1 ILE 86 HA 0.04 0.28 0.97 -0.75 4.18 4.71 1zx2B1 ILE 86 HB 0.04 0.03 -0.20 -0.04 1.89 1.71 1zx2B1 ILE 86 HG12 0.06 -0.04 -0.10 -0.04 1.49 1.36 1zx2B1 ILE 86 HG13 0.19 0.01 -0.19 -0.04 1.21 1.18 1zx2B1 ILE 86 HG23 -0.03 -0.01 -0.02 -0.04 0.93 0.83 1zx2B1 ILE 86 HD13 0.15 0.03 -0.00 -0.04 0.88 1.02 1zx2B1 ASP 87 H 0.01 0.68 0.42 -0.55 8.40 8.97 1zx2B1 ASP 87 HA -0.45 0.12 0.79 -0.75 4.63 4.34 1zx2B1 ASP 87 HB2 -0.06 -0.01 0.09 -0.04 2.71 2.68 1zx2B1 ASP 87 HB3 -0.13 0.01 0.07 -0.04 2.70 2.61 1zx2B1 PHE 88 H -0.70 0.28 0.26 -0.55 8.34 7.63 1zx2B1 PHE 88 HA -0.04 0.33 0.84 -0.75 4.62 5.00 1zx2B1 PHE 88 HB2 -0.14 -0.02 -0.05 -0.04 3.15 2.89 1zx2B1 PHE 88 HB3 -0.07 0.05 0.10 -0.04 3.06 3.10 1zx2B1 PHE 88 HD2 -0.07 0.04 -0.30 -0.04 7.28 6.90 1zx2B1 PHE 88 HE2 -0.02 -0.01 -0.12 -0.04 7.38 7.19 1zx2B1 PHE 88 HZ 0.17 0.00 -0.05 -0.04 7.32 7.41 1zx2B1 GLN 89 H 0.07 0.60 0.38 -0.55 8.47 8.97 1zx2B1 GLN 89 HA 0.02 0.04 0.79 -0.75 4.36 4.45 1zx2B1 GLN 89 HB2 0.04 -0.05 -0.01 -0.04 2.15 2.09 1zx2B1 GLN 89 HB3 0.05 0.16 0.04 -0.04 2.02 2.23 1zx2B1 GLN 89 HG2 0.00 0.03 0.02 -0.04 2.40 2.41 1zx2B1 GLN 89 HG3 -0.01 -0.06 -0.46 -0.04 2.39 1.81 1zx2B1 GLN 89 HE21 -0.00 -0.01 -0.04 -0.04 6.97 6.88 1zx2B1 GLN 89 HE22 -0.02 0.01 -0.03 -0.04 7.69 7.61 1zx2B1 TYR 90 H 0.07 0.09 0.20 -0.55 8.29 8.09 1zx2B1 TYR 90 HA 0.06 0.32 0.82 -0.75 4.56 5.01 1zx2B1 TYR 90 HB2 0.04 -0.10 0.19 -0.04 3.06 3.14 1zx2B1 TYR 90 HB3 0.12 0.15 0.12 -0.04 2.98 3.33 1zx2B1 TYR 90 HD2 0.05 0.12 0.02 -0.04 7.15 7.30 1zx2B1 TYR 90 HE2 0.04 -0.02 0.00 -0.04 6.85 6.83 1zx2B1 THR 91 H 0.26 0.67 0.13 -0.55 8.28 8.80 1zx2B1 THR 91 HA 0.21 0.10 0.51 -0.75 4.39 4.45 1zx2B1 THR 91 HB 0.10 0.14 -0.43 -0.04 4.32 4.09 1zx2B1 THR 91 HG23 0.08 -0.01 -0.43 -0.04 1.22 0.82 1zx2B1 GLY 92 H 0.06 0.14 0.11 -0.55 8.43 8.19 1zx2B1 GLY 92 HA2 0.03 0.07 0.34 -0.51 4.01 3.94 1zx2B1 GLY 92 HA3 0.06 0.05 0.26 -0.51 4.01 3.87 1zx2B1 HIS 93 H 0.11 0.15 0.20 -0.55 8.41 8.33 1zx2B1 HIS 93 HA -0.07 0.01 0.23 -0.75 4.63 4.04 1zx2B1 HIS 93 HB2 -0.02 -0.00 0.16 -0.04 3.26 3.36 1zx2B1 HIS 93 HB3 -0.02 0.03 0.20 -0.04 3.20 3.37 1zx2B1 HIS 93 HD2 -0.03 -0.02 0.03 -0.04 6.97 6.91 1zx2B1 HIS 93 HE1 -0.02 0.03 -0.03 -0.04 7.75 7.68 1zx2B1 LEU 94 H -0.45 0.12 0.21 -0.55 8.37 7.70 1zx2B1 LEU 94 HA -0.30 0.02 0.32 -0.75 4.35 3.64 1zx2B1 LEU 94 HB2 -0.15 0.14 -0.10 -0.04 1.64 1.49 1zx2B1 LEU 94 HB3 -0.13 0.04 0.17 -0.04 1.64 1.68 1zx2B1 LEU 94 HG -0.99 -0.10 -0.12 -0.04 1.64 0.39 1zx2B1 LEU 94 HD13 -0.03 0.02 -0.02 -0.04 0.93 0.85 1zx2B1 LEU 94 HD23 -0.22 0.00 0.05 -0.04 0.89 0.68 1zx2B1 HIS 95 H -0.35 0.44 -0.39 -0.55 8.41 7.56 1zx2B1 HIS 95 HA 0.04 -0.01 0.01 -0.75 4.63 3.92 1zx2B1 HIS 95 HB2 -0.10 0.14 0.03 -0.04 3.26 3.30 1zx2B1 HIS 95 HB3 -0.02 -0.07 0.13 -0.04 3.20 3.19 1zx2B1 HIS 95 HD2 -0.05 0.03 -0.15 -0.04 6.97 6.76 1zx2B1 HIS 95 HE1 0.01 -0.02 -0.04 -0.04 7.75 7.67 1zx2B1 LYS 96 H 0.03 0.34 -0.26 -0.55 8.42 7.97 1zx2B1 LYS 96 HA 0.04 0.14 0.81 -0.75 4.32 4.56 1zx2B1 LYS 96 HB2 0.06 0.10 0.10 -0.04 1.87 2.10 1zx2B1 LYS 96 HB3 0.08 -0.05 0.10 -0.04 1.79 1.87 1zx2B1 LYS 96 HG2 -0.02 -0.03 -0.00 -0.04 1.46 1.37 1zx2B1 LYS 96 HG3 -0.04 0.22 -0.19 -0.04 1.46 1.41 1zx2B1 LYS 96 HD2 0.02 -0.03 -0.02 -0.04 1.69 1.61 1zx2B1 LYS 96 HD3 0.02 -0.01 -0.00 -0.04 1.68 1.64 1zx2B1 LYS 96 HE2 -0.02 -0.00 0.00 -0.04 2.99 2.93 1zx2B1 LYS 96 HE3 -0.03 0.01 0.01 -0.04 2.99 2.93 1zx2B1 SER 97 H 0.15 0.22 0.08 -0.55 8.46 8.36 1zx2B1 SER 97 HA 0.23 0.24 0.94 -0.75 4.49 5.15 1zx2B1 SER 97 HB2 0.11 -0.07 -0.14 -0.04 3.95 3.80 1zx2B1 SER 97 HB3 0.09 0.04 0.09 -0.04 3.93 4.11 1zx2B1 ILE 98 H 0.05 0.57 0.36 -0.55 8.25 8.68 1zx2B1 ILE 98 HA -0.01 0.24 1.05 -0.75 4.18 4.71 1zx2B1 ILE 98 HB -0.26 -0.08 0.05 -0.04 1.89 1.55 1zx2B1 ILE 98 HG12 -0.33 0.01 -0.20 -0.04 1.49 0.93 1zx2B1 ILE 98 HG13 0.02 0.06 -0.57 -0.04 1.21 0.67 1zx2B1 ILE 98 HG23 -0.25 -0.01 -0.24 -0.04 0.93 0.39 1zx2B1 ILE 98 HD13 -0.61 -0.01 -0.12 -0.04 0.88 0.10 1zx2B1 LEU 99 H 0.01 0.78 0.33 -0.55 8.37 8.94 1zx2B1 LEU 99 HA 0.03 0.28 1.07 -0.75 4.35 4.97 1zx2B1 LEU 99 HB2 0.04 -0.05 0.03 -0.04 1.64 1.63 1zx2B1 LEU 99 HB3 0.04 -0.04 0.19 -0.04 1.64 1.79 1zx2B1 LEU 99 HG 0.03 -0.04 -0.01 -0.04 1.64 1.58 1zx2B1 LEU 99 HD13 0.02 -0.01 -0.10 -0.04 0.93 0.80 1zx2B1 LEU 99 HD23 0.03 0.02 -0.07 -0.04 0.89 0.83 1zx2B1 ILE 100 H 0.08 0.67 0.44 -0.55 8.25 8.89 1zx2B1 ILE 100 HA 0.16 0.31 1.08 -0.75 4.18 4.98 1zx2B1 ILE 100 HB 0.29 -0.12 0.14 -0.04 1.89 2.16 1zx2B1 ILE 100 HG12 0.03 0.03 -0.13 -0.04 1.49 1.38 1zx2B1 ILE 100 HG13 -0.04 -0.05 -0.41 -0.04 1.21 0.67 1zx2B1 ILE 100 HG23 0.23 0.00 -0.13 -0.04 0.93 0.99 1zx2B1 ILE 100 HD13 -0.18 -0.01 -0.11 -0.04 0.88 0.55 1zx2B1 MET 101 H 0.09 0.68 0.38 -0.55 8.47 9.06 1zx2B1 MET 101 HA 0.06 0.33 1.14 -0.75 4.52 5.29 1zx2B1 MET 101 HB2 0.02 -0.03 -0.04 -0.04 2.15 2.06 1zx2B1 MET 101 HB3 0.01 -0.07 0.11 -0.04 2.03 2.04 1zx2B1 MET 101 HG2 -0.00 0.01 -0.16 -0.04 2.63 2.44 1zx2B1 MET 101 HG3 -0.00 0.05 0.02 -0.04 2.56 2.59 1zx2B1 MET 101 HE3 -0.03 -0.01 -0.11 -0.04 2.10 1.91 1zx2B1 ALA 102 H 0.11 0.74 0.41 -0.55 8.40 9.11 1zx2B1 ALA 102 HA 0.08 0.31 1.03 -0.75 4.34 5.00 1zx2B1 ALA 102 HB3 0.34 -0.01 0.04 -0.04 1.41 1.74 1zx2B1 THR 103 H -0.07 0.53 0.44 -0.55 8.28 8.62 1zx2B1 THR 103 HA -0.59 0.37 0.92 -0.75 4.39 4.34 1zx2B1 THR 103 HB -0.12 -0.07 0.10 -0.04 4.32 4.19 1zx2B1 THR 103 HG23 -0.13 -0.03 -0.02 -0.04 1.22 0.99 1zx2B1 GLY 104 H -1.03 0.58 0.37 -0.55 8.43 7.80 1zx2B1 GLY 104 HA2 -0.17 0.02 0.48 -0.51 4.01 3.82 1zx2B1 GLY 104 HA3 -0.17 0.21 0.70 -0.51 4.01 4.24 1zx2B1 GLU 105 H 0.26 0.70 0.37 -0.55 8.60 9.38 1zx2B1 GLU 105 HA 0.06 0.20 1.12 -0.75 4.29 4.91 1zx2B1 GLU 105 HB2 0.17 -0.02 0.07 -0.04 2.09 2.27 1zx2B1 GLU 105 HB3 -0.20 0.03 -0.17 -0.04 1.99 1.62 1zx2B1 GLU 105 HG2 -0.03 -0.04 -0.12 -0.04 2.34 2.10 1zx2B1 GLU 105 HG3 -0.10 -0.01 -0.07 -0.04 2.34 2.12 1zx2B1 MET 106 H -0.02 0.77 0.37 -0.55 8.47 9.04 1zx2B1 MET 106 HA 0.08 0.26 0.75 -0.75 4.52 4.86 1zx2B1 MET 106 HB2 -0.07 -0.15 0.11 -0.04 2.15 1.99 1zx2B1 MET 106 HB3 -0.08 0.07 -0.08 -0.04 2.03 1.90 1zx2B1 MET 106 HG2 0.12 -0.00 -0.27 -0.04 2.63 2.43 1zx2B1 MET 106 HG3 -0.59 0.03 -0.16 -0.04 2.56 1.80 1zx2B1 MET 106 HE3 0.04 0.03 -0.23 -0.04 2.10 1.90 1zx2B1 PHE 107 H 0.20 0.70 0.29 -0.55 8.34 8.98 1zx2B1 PHE 107 HA 0.03 0.24 0.78 -0.75 4.62 4.91 1zx2B1 PHE 107 HB2 -0.01 0.05 0.01 -0.04 3.15 3.16 1zx2B1 PHE 107 HB3 0.00 -0.19 -0.25 -0.04 3.06 2.59 1zx2B1 PHE 107 HD2 0.02 0.08 -0.51 -0.04 7.28 6.83 1zx2B1 PHE 107 HE2 0.02 0.01 -0.11 -0.04 7.38 7.26 1zx2B1 PHE 107 HZ 0.01 -0.02 -0.09 -0.04 7.32 7.18 1zx2B1 TRP 108 H 0.27 0.75 0.21 -0.55 7.97 8.65 1zx2B1 TRP 108 HA 0.03 0.36 1.04 -0.75 4.62 5.29 1zx2B1 TRP 108 HB2 -0.06 -0.01 -0.02 -0.04 3.23 3.11 1zx2B1 TRP 108 HB3 -0.04 0.01 0.15 -0.04 3.23 3.31 1zx2B1 TRP 108 HD1 0.00 0.03 -0.11 -0.04 7.22 7.10 1zx2B1 TRP 108 HE1 0.00 -0.02 -0.01 -0.04 10.20 10.13 1zx2B1 TRP 108 HE3 -0.00 -0.02 -0.13 -0.04 7.59 7.40 1zx2B1 TRP 108 HZ2 -0.00 -0.02 -0.01 -0.04 7.44 7.37 1zx2B1 TRP 108 HZ3 -0.00 -0.01 -0.03 -0.04 7.13 7.05 1zx2B1 TRP 108 HH2 -0.00 -0.03 -0.01 -0.04 7.19 7.11 1zx2B1 THR 109 H -0.54 0.34 0.15 -0.55 8.28 7.68 1zx2B1 THR 109 HA -0.31 0.04 0.35 -0.75 4.39 3.72 1zx2B1 THR 109 HB -0.49 0.09 0.11 -0.04 4.32 3.99 1zx2B1 THR 109 HG23 -0.28 -0.00 0.09 -0.04 1.22 0.99 1zx2B1 GLY 110 H 0.03 0.06 -0.43 -0.55 8.43 7.55 1zx2B1 GLY 110 HA2 -0.04 -0.02 0.16 -0.51 4.01 3.61 1zx2B1 GLY 110 HA3 -0.01 0.09 0.14 -0.51 4.01 3.73 1zx2B1 THR 111 H 0.25 0.42 -0.46 -0.55 8.28 7.94 1zx2B1 THR 111 HA 0.21 0.21 0.95 -0.75 4.39 5.00 1zx2B1 THR 111 HB 0.25 0.01 0.11 -0.04 4.32 4.65 1zx2B1 THR 111 HG23 0.06 0.02 -0.04 -0.04 1.22 1.22 1zx2B1 PRO 112 HA -0.73 0.13 0.54 -0.51 4.44 3.88 1zx2B1 PRO 112 HB2 -0.19 0.01 0.00 -0.04 2.28 2.06 1zx2B1 PRO 112 HB3 -0.50 0.01 0.04 -0.04 2.02 1.53 1zx2B1 PRO 112 HG2 0.01 0.01 0.10 -0.04 2.03 2.11 1zx2B1 PRO 112 HG3 0.13 0.03 0.06 -0.04 2.03 2.21 1zx2B1 PRO 112 HD2 0.09 0.08 0.24 -0.04 3.68 4.05 1zx2B1 PRO 112 HD3 0.29 0.24 0.20 -0.04 3.65 4.34 1zx2B1 VAL 113 H -0.37 0.60 0.41 -0.55 8.24 8.33 1zx2B1 VAL 113 HA -0.32 0.14 0.84 -0.75 4.13 4.04 1zx2B1 VAL 113 HB -0.57 -0.06 0.06 -0.04 2.12 1.51 1zx2B1 VAL 113 HG13 -1.01 -0.01 -0.08 -0.04 0.97 -0.17 1zx2B1 VAL 113 HG23 -0.09 0.02 -0.08 -0.04 0.95 0.76 1zx2B1 TYR 114 H -0.25 0.23 0.28 -0.55 8.29 8.00 1zx2B1 TYR 114 HA -0.07 0.07 0.52 -0.75 4.56 4.31 1zx2B1 TYR 114 HB2 -0.03 0.12 -0.08 -0.04 3.06 3.03 1zx2B1 TYR 114 HB3 -0.01 0.18 0.01 -0.04 2.98 3.12 1zx2B1 TYR 114 HD2 -0.26 -0.03 -0.14 -0.04 7.15 6.68 1zx2B1 TYR 114 HE2 -0.23 0.01 -0.10 -0.04 6.85 6.49 1zx2B1 LYS 115 H 0.10 0.44 0.19 -0.55 8.42 8.60 1zx2B1 LYS 115 HA 0.03 0.16 1.08 -0.75 4.32 4.83 1zx2B1 LYS 115 HB2 0.02 -0.01 0.09 -0.04 1.87 1.93 1zx2B1 LYS 115 HB3 -0.05 0.05 0.20 -0.04 1.79 1.95 1zx2B1 LYS 115 HG2 -0.01 -0.09 -0.01 -0.04 1.46 1.30 1zx2B1 LYS 115 HG3 -0.01 0.01 0.02 -0.04 1.46 1.44 1zx2B1 LYS 115 HD2 -0.06 -0.03 0.05 -0.04 1.69 1.62 1zx2B1 LYS 115 HD3 -0.05 0.10 0.04 -0.04 1.68 1.73 1zx2B1 LYS 115 HE2 -0.02 -0.03 -0.01 -0.04 2.99 2.89 1zx2B1 LYS 115 HE3 -0.03 -0.02 -0.01 -0.04 2.99 2.90 1zx2B1 PHE 116 H -0.13 0.54 0.25 -0.55 8.34 8.45 1zx2B1 PHE 116 HA 0.11 0.35 0.74 -0.75 4.62 5.07 1zx2B1 PHE 116 HB2 0.21 0.04 -0.05 -0.04 3.15 3.31 1zx2B1 PHE 116 HB3 0.19 0.01 -0.19 -0.04 3.06 3.03 1zx2B1 PHE 116 HD2 0.05 0.02 -0.52 -0.04 7.28 6.79 1zx2B1 PHE 116 HE2 0.05 0.04 -0.34 -0.04 7.38 7.10 1zx2B1 PHE 116 HZ -0.03 0.00 -0.38 -0.04 7.32 6.87 1zx2B1 CYS 117 H 0.17 0.54 0.31 -0.55 8.50 8.97 1zx2B1 CYS 117 HA -0.09 0.21 0.96 -0.75 4.58 4.91 1zx2B1 CYS 117 HB2 -0.01 -0.06 0.13 -0.04 2.97 2.99 1zx2B1 CYS 117 HB3 -0.03 0.00 0.05 -0.04 2.97 2.95 1zx2B1 GLN 118 H 0.09 0.80 0.44 -0.55 8.47 9.24 1zx2B1 GLN 118 HA -0.05 0.39 1.26 -0.75 4.36 5.21 1zx2B1 GLN 118 HB2 0.22 -0.03 -0.16 -0.04 2.15 2.13 1zx2B1 GLN 118 HB3 0.26 -0.07 0.03 -0.04 2.02 2.19 1zx2B1 GLN 118 HG2 -0.78 -0.08 -0.27 -0.04 2.40 1.23 1zx2B1 GLN 118 HG3 -0.43 0.15 -0.02 -0.04 2.39 2.05 1zx2B1 GLN 118 HE21 0.25 0.01 -0.13 -0.04 6.97 7.07 1zx2B1 GLN 118 HE22 -0.23 -0.00 -0.16 -0.04 7.69 7.25 1zx2B1 THR 119 H -0.18 0.65 0.49 -0.55 8.28 8.68 1zx2B1 THR 119 HA -0.04 0.37 1.33 -0.75 4.39 5.30 1zx2B1 THR 119 HB -0.02 0.05 0.04 -0.04 4.32 4.35 1zx2B1 THR 119 HG23 -0.02 -0.02 -0.06 -0.04 1.22 1.08 1zx2B1 PHE 120 H 0.13 0.53 0.42 -0.55 8.34 8.87 1zx2B1 PHE 120 HA -0.03 0.37 1.17 -0.75 4.62 5.37 1zx2B1 PHE 120 HB2 -0.11 -0.08 0.04 -0.04 3.15 2.96 1zx2B1 PHE 120 HB3 -0.21 0.02 -0.10 -0.04 3.06 2.72 1zx2B1 PHE 120 HD2 -0.05 0.01 -0.06 -0.04 7.28 7.14 1zx2B1 PHE 120 HE2 -0.27 0.00 -0.12 -0.04 7.38 6.95 1zx2B1 PHE 120 HZ -0.64 0.02 -0.12 -0.04 7.32 6.53 1zx2B1 ILE 121 H 0.08 0.47 0.39 -0.55 8.25 8.65 1zx2B1 ILE 121 HA 0.01 0.43 1.00 -0.75 4.18 4.86 1zx2B1 ILE 121 HB 0.04 -0.10 0.15 -0.04 1.89 1.94 1zx2B1 ILE 121 HG12 0.03 0.05 -0.02 -0.04 1.49 1.51 1zx2B1 ILE 121 HG13 0.03 -0.03 -0.35 -0.04 1.21 0.81 1zx2B1 ILE 121 HG23 0.03 -0.01 -0.17 -0.04 0.93 0.74 1zx2B1 ILE 121 HD13 0.03 -0.01 -0.09 -0.04 0.88 0.77 1zx2B1 LEU 122 H -0.08 0.71 0.34 -0.55 8.37 8.81 1zx2B1 LEU 122 HA -0.09 0.27 1.00 -0.75 4.35 4.77 1zx2B1 LEU 122 HB2 -0.23 -0.04 0.08 -0.04 1.64 1.40 1zx2B1 LEU 122 HB3 -0.10 0.02 -0.10 -0.04 1.64 1.41 1zx2B1 LEU 122 HG -0.45 0.02 -0.14 -0.04 1.64 1.03 1zx2B1 LEU 122 HD13 -0.83 -0.00 -0.14 -0.04 0.93 -0.08 1zx2B1 LEU 122 HD23 -1.03 0.01 -0.28 -0.04 0.89 -0.44 1zx2B1 LEU 123 H 0.06 0.61 0.34 -0.55 8.37 8.84 1zx2B1 LEU 123 HA 0.11 0.12 0.80 -0.75 4.35 4.63 1zx2B1 LEU 123 HB2 0.04 -0.10 0.02 -0.04 1.64 1.56 1zx2B1 LEU 123 HB3 0.02 -0.03 0.14 -0.04 1.64 1.73 1zx2B1 LEU 123 HG 0.02 -0.09 -0.01 -0.04 1.64 1.53 1zx2B1 LEU 123 HD13 -0.01 0.01 -0.04 -0.04 0.93 0.85 1zx2B1 LEU 123 HD23 0.03 0.01 0.04 -0.04 0.89 0.93 1zx2B1 PRO 124 HA -0.79 0.16 0.64 -0.51 4.44 3.94 1zx2B1 PRO 124 HB2 -0.24 0.13 0.02 -0.04 2.28 2.15 1zx2B1 PRO 124 HB3 -0.62 0.07 0.11 -0.04 2.02 1.54 1zx2B1 PRO 124 HG2 -0.04 -0.02 0.02 -0.04 2.03 1.95 1zx2B1 PRO 124 HG3 0.02 0.17 0.04 -0.04 2.03 2.22 1zx2B1 PRO 124 HD2 0.04 -0.03 0.14 -0.04 3.68 3.79 1zx2B1 PRO 124 HD3 0.20 0.26 0.06 -0.04 3.65 4.13 1zx2B1 SER 125 H -0.32 0.59 0.27 -0.55 8.46 8.46 1zx2B1 SER 125 HA -0.09 0.05 0.51 -0.75 4.49 4.21 1zx2B1 SER 125 HB2 -0.12 -0.14 0.02 -0.04 3.95 3.67 1zx2B1 SER 125 HB3 -0.07 -0.16 0.07 -0.04 3.93 3.72 1zx2B1 SER 126 H -0.05 0.09 0.13 -0.55 8.46 8.07 1zx2B1 SER 126 HA -0.05 0.18 0.43 -0.75 4.49 4.29 1zx2B1 SER 126 HB2 -0.03 0.04 0.06 -0.04 3.95 3.98 1zx2B1 SER 126 HB3 -0.04 0.02 0.10 -0.04 3.93 3.97 1zx2B1 ASN 127 H -0.05 -0.08 -0.19 -0.55 8.53 7.67 1zx2B1 ASN 127 HA -0.03 0.22 0.85 -0.75 4.76 5.05 1zx2B1 GLY 128 H -0.07 -0.07 -0.10 -0.55 8.43 7.64 1zx2B1 GLY 128 HA2 -0.06 0.21 0.46 -0.51 4.01 4.10 1zx2B1 GLY 128 HA3 -0.04 0.02 0.31 -0.51 4.01 3.79 1zx2B1 SER 129 H -0.03 0.11 0.10 -0.55 8.46 8.10 1zx2B1 SER 129 HA -0.02 0.14 0.06 -0.75 4.49 3.91 1zx2B1 SER 129 HB2 0.01 -0.04 0.13 -0.04 3.95 4.01 1zx2B1 SER 129 HB3 0.03 0.01 -0.01 -0.04 3.93 3.93 1zx2B1 THR 130 H -0.09 -0.11 -0.29 -0.55 8.28 7.25 1zx2B1 THR 130 HA 0.09 0.22 0.62 -0.75 4.39 4.57 1zx2B1 THR 130 HB 0.05 0.10 0.11 -0.04 4.32 4.53 1zx2B1 THR 130 HG23 0.03 -0.01 -0.05 -0.04 1.22 1.15 1zx2B1 PHE 131 H 0.19 0.25 0.21 -0.55 8.34 8.44 1zx2B1 PHE 131 HA -0.05 0.24 0.79 -0.75 4.62 4.85 1zx2B1 PHE 131 HB2 -0.10 -0.03 0.01 -0.04 3.15 3.00 1zx2B1 PHE 131 HB3 -0.17 -0.04 -0.14 -0.04 3.06 2.67 1zx2B1 PHE 131 HD2 -0.04 -0.06 -0.33 -0.04 7.28 6.80 1zx2B1 PHE 131 HE2 0.03 0.14 -0.05 -0.04 7.38 7.47 1zx2B1 PHE 131 HZ 0.06 0.02 -0.05 -0.04 7.32 7.32 1zx2B1 ASP 132 H 0.02 0.56 0.24 -0.55 8.40 8.68 1zx2B1 ASP 132 HA -0.01 0.35 0.82 -0.75 4.63 5.04 1zx2B1 ASP 132 HB2 -0.01 -0.00 0.01 -0.04 2.71 2.67 1zx2B1 ASP 132 HB3 0.01 -0.06 -0.22 -0.04 2.70 2.39 1zx2B1 ILE 133 H -0.08 0.74 0.38 -0.55 8.25 8.74 1zx2B1 ILE 133 HA -0.13 0.22 0.76 -0.75 4.18 4.27 1zx2B1 ILE 133 HB -0.49 -0.05 0.12 -0.04 1.89 1.43 1zx2B1 ILE 133 HG12 -0.48 -0.02 -0.06 -0.04 1.49 0.88 1zx2B1 ILE 133 HG13 -0.21 0.12 0.03 -0.04 1.21 1.11 1zx2B1 ILE 133 HG23 0.04 0.00 -0.19 -0.04 0.93 0.74 1zx2B1 ILE 133 HD13 -0.43 -0.01 -0.14 -0.04 0.88 0.27 1zx2B1 THR 134 H 0.02 0.57 0.43 -0.55 8.28 8.75 1zx2B1 THR 134 HA 0.10 0.07 0.99 -0.75 4.39 4.79 1zx2B1 THR 134 HB 0.05 -0.01 0.10 -0.04 4.32 4.42 1zx2B1 THR 134 HG23 0.03 0.00 -0.04 -0.04 1.22 1.18 1zx2B1 ASN 135 H 0.09 0.29 0.27 -0.55 8.53 8.63 1zx2B1 ASN 135 HA 0.09 0.32 1.05 -0.75 4.76 5.47 1zx2B1 ASN 135 HB2 0.05 -0.13 0.06 -0.04 2.88 2.81 1zx2B1 ASN 135 HB3 0.03 0.06 -0.09 -0.04 2.79 2.75 1zx2B1 ASN 135 HD21 0.03 -0.01 -0.04 -0.04 7.03 6.96 1zx2B1 ASN 135 HD22 0.02 0.03 -0.01 -0.04 7.74 7.74 1zx2B1 ASP 136 H 0.10 0.59 0.37 -0.55 8.40 8.90 1zx2B1 ASP 136 HA -0.10 0.30 1.01 -0.75 4.63 5.08 1zx2B1 ASP 136 HB2 0.37 -0.03 -0.20 -0.04 2.71 2.82 1zx2B1 ASP 136 HB3 0.36 -0.02 0.10 -0.04 2.70 3.09 1zx2B1 ILE 137 H -0.16 0.62 0.39 -0.55 8.25 8.55 1zx2B1 ILE 137 HA -0.09 0.26 1.09 -0.75 4.18 4.69 1zx2B1 ILE 137 HB -0.08 -0.07 0.19 -0.04 1.89 1.88 1zx2B1 ILE 137 HG12 -0.05 0.04 -0.01 -0.04 1.49 1.43 1zx2B1 ILE 137 HG13 -0.04 -0.09 -0.31 -0.04 1.21 0.73 1zx2B1 ILE 137 HG23 -0.09 -0.00 -0.13 -0.04 0.93 0.67 1zx2B1 ILE 137 HD13 -0.03 -0.00 -0.07 -0.04 0.88 0.74 1zx2B1 ILE 138 H -0.21 0.76 0.40 -0.55 8.25 8.66 1zx2B1 ILE 138 HA -0.12 0.34 1.10 -0.75 4.18 4.75 1zx2B1 ILE 138 HB -0.16 -0.02 -0.02 -0.04 1.89 1.66 1zx2B1 ILE 138 HG12 -0.45 -0.07 -0.37 -0.04 1.49 0.55 1zx2B1 ILE 138 HG13 0.02 0.12 -0.04 -0.04 1.21 1.26 1zx2B1 ILE 138 HG23 -0.63 -0.02 0.05 -0.04 0.93 0.29 1zx2B1 ILE 138 HD13 0.03 -0.01 -0.16 -0.04 0.88 0.70 1zx2B1 ARG 139 H -0.07 0.65 0.34 -0.55 8.46 8.82 1zx2B1 ARG 139 HA -0.28 0.08 0.92 -0.75 4.34 4.31 1zx2B1 ARG 139 HB2 -0.05 0.00 0.12 -0.04 1.90 1.93 1zx2B1 ARG 139 HB3 -0.06 0.06 -0.21 -0.04 1.80 1.54 1zx2B1 ARG 139 HG2 -0.11 -0.04 -0.26 -0.04 1.67 1.21 1zx2B1 ARG 139 HG3 -0.07 -0.01 -0.09 -0.04 1.67 1.46 1zx2B1 ARG 139 HD2 -0.09 0.06 -0.07 -0.04 3.22 3.09 1zx2B1 ARG 139 HD3 -0.15 0.01 0.01 -0.04 3.22 3.05 1zx2B1 PHE 140 H -0.32 0.16 0.15 -0.55 8.34 7.77 1zx2B1 PHE 140 HA -0.07 0.28 0.93 -0.75 4.62 5.00 1zx2B1 PHE 140 HB2 -0.56 -0.00 0.09 -0.04 3.15 2.63 1zx2B1 PHE 140 HB3 -1.01 0.04 -0.04 -0.04 3.06 2.01 1zx2B1 PHE 140 HD2 -0.17 0.06 -0.16 -0.04 7.28 6.97 1zx2B1 PHE 140 HE2 -0.17 0.01 -0.17 -0.04 7.38 7.00 1zx2B1 PHE 140 HZ 0.18 0.02 -0.12 -0.04 7.32 7.37 1zx2B1 ILE 141 H 0.09 0.61 0.20 -0.55 8.25 8.60 1zx2B1 ILE 141 HA -0.01 0.17 1.00 -0.75 4.18 4.59 1zx2B1 ILE 141 HB 0.01 -0.00 0.08 -0.04 1.89 1.93 1zx2B1 ILE 141 HG12 0.03 0.00 -0.13 -0.04 1.49 1.35 1zx2B1 ILE 141 HG13 0.02 0.05 -0.15 -0.04 1.21 1.10 1zx2B1 ILE 141 HG23 -0.01 0.01 -0.30 -0.04 0.93 0.58 1zx2B1 ILE 141 HD13 -0.01 -0.01 -0.08 -0.04 0.88 0.74 1zx2B1 SER 142 H 0.03 0.10 0.16 -0.55 8.46 8.21 1zx2B1 SER 142 HA 0.15 0.08 0.42 -0.75 4.49 4.38 1zx2B1 SER 142 HB2 0.06 0.01 0.14 -0.04 3.95 4.12 1zx2B1 SER 142 HB3 0.03 -0.05 0.14 -0.04 3.93 4.02 1zx2B1 ASN 143 H 0.06 0.21 0.16 -0.55 8.53 8.41 1zx2B1 ASN 143 HA 0.01 0.11 0.46 -0.75 4.76 4.58 1zx2B1 ASN 143 HB2 -0.01 0.06 0.09 -0.04 2.88 2.98 1zx2B1 ASN 143 HB3 -0.01 0.01 0.04 -0.04 2.79 2.78 1zx2B1 ASN 143 HD21 -0.07 -0.00 -0.20 -0.04 7.03 6.71 1zx2B1 ASN 143 HD22 -0.02 0.01 -0.02 -0.04 7.74 7.66