============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 16 rings ring int. center anis. iso. PHE 6 1.000 159.232 -56.127 -37.692 -99.200 -91.000 PHE 10 1.000 155.324 -58.352 -42.028 -99.200 -91.000 TYR 20 0.840 134.676 -54.459 -35.079 -99.200 -91.000 PHE 47 1.000 146.657 -48.661 -46.201 -99.200 -91.000 TRP 69 1.040 148.547 -34.985 -31.774 -99.200 -91.000 TRP6 69 1.020 146.947 -33.598 -32.825 -99.200 -91.000 TYR 83 0.840 156.628 -45.755 -43.420 -99.200 -91.000 TYR 85 0.840 146.445 -47.430 -40.839 -99.200 -91.000 TYR 88 0.840 152.118 -43.051 -29.564 -99.200 -91.000 TYR 92 0.840 147.986 -56.074 -25.655 -99.200 -91.000 PHE 94 1.000 157.323 -56.926 -25.210 -99.200 -91.000 TYR 105 0.840 149.879 -60.988 -28.233 -99.200 -91.000 TYR 106 0.840 154.121 -52.832 -29.943 -99.200 -91.000 PHE 108 1.000 149.075 -49.989 -33.075 -99.200 -91.000 TYR 119 0.840 163.383 -61.756 -36.990 -99.200 -91.000 TYR 131 0.840 154.956 -41.920 -32.591 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3hozH1 MET 1 HA 0.01 -0.03 0.19 -0.75 4.52 3.93 3hozH1 MET 1 HB2 0.01 -0.03 0.10 -0.04 2.15 2.19 3hozH1 MET 1 HB3 0.01 -0.01 0.16 -0.04 2.03 2.15 3hozH1 MET 1 HG2 0.01 0.01 0.09 -0.04 2.63 2.71 3hozH1 MET 1 HG3 0.01 -0.02 0.06 -0.04 2.56 2.56 3hozH1 MET 1 HE3 0.03 0.00 0.11 -0.04 2.10 2.19 3hozH1 SER 2 H 0.00 0.27 0.17 -0.55 8.46 8.35 3hozH1 SER 2 HA 0.02 0.06 0.39 -0.75 4.49 4.21 3hozH1 SER 2 HB2 0.02 0.23 -0.10 -0.04 3.95 4.05 3hozH1 SER 2 HB3 -0.00 -0.06 -0.14 -0.04 3.93 3.69 3hozH1 ASN 3 H 0.02 0.30 0.18 -0.55 8.53 8.48 3hozH1 ASN 3 HA 0.01 0.06 0.34 -0.75 4.76 4.41 3hozH1 ASN 3 HB2 0.02 0.24 -0.06 -0.04 2.88 3.04 3hozH1 ASN 3 HB3 0.03 0.04 -0.12 -0.04 2.79 2.70 3hozH1 ASN 3 HD21 0.03 -0.06 -0.01 -0.04 7.03 6.95 3hozH1 ASN 3 HD22 0.03 0.10 -0.05 -0.04 7.74 7.78 3hozH1 THR 4 H 0.03 0.11 0.09 -0.55 8.28 7.96 3hozH1 THR 4 HA 0.05 0.12 0.34 -0.75 4.39 4.15 3hozH1 THR 4 HB 0.06 0.09 0.05 -0.04 4.32 4.48 3hozH1 THR 4 HG23 0.05 0.01 -0.06 -0.04 1.22 1.18 3hozH1 LEU 5 H 0.11 -0.01 0.11 -0.55 8.37 8.03 3hozH1 LEU 5 HA 0.11 0.24 0.74 -0.75 4.35 4.68 3hozH1 LEU 5 HB2 0.12 -0.22 0.06 -0.04 1.64 1.55 3hozH1 LEU 5 HB3 0.13 0.02 -0.02 -0.04 1.64 1.73 3hozH1 LEU 5 HG 0.08 -0.04 -0.35 -0.04 1.64 1.28 3hozH1 LEU 5 HD13 0.10 0.01 -0.00 -0.04 0.93 1.00 3hozH1 LEU 5 HD23 0.08 0.11 0.08 -0.04 0.89 1.11 3hozH1 PHE 6 H 0.19 0.03 0.11 -0.55 8.34 8.12 3hozH1 PHE 6 HA 0.09 0.05 0.40 -0.75 4.62 4.40 3hozH1 PHE 6 HB2 0.08 0.20 0.08 -0.04 3.15 3.47 3hozH1 PHE 6 HB3 0.06 -0.06 -0.18 -0.04 3.06 2.84 3hozH1 PHE 6 HD2 0.11 -0.01 -0.35 -0.04 7.28 6.98 3hozH1 PHE 6 HE2 0.27 0.02 -0.10 -0.04 7.38 7.54 3hozH1 PHE 6 HZ 0.47 0.01 -0.09 -0.04 7.32 7.67 3hozH1 ASP 7 H -0.48 0.23 0.16 -0.55 8.40 7.76 3hozH1 ASP 7 HA 0.18 0.47 0.92 -0.75 4.63 5.44 3hozH1 ASP 7 HB2 0.04 -0.12 -0.27 -0.04 2.71 2.32 3hozH1 ASP 7 HB3 -0.03 -0.01 -0.01 -0.04 2.70 2.60 3hozH1 ASP 8 H 0.18 0.45 0.30 -0.55 8.40 8.78 3hozH1 ASP 8 HA -0.05 0.02 0.43 -0.75 4.63 4.28 3hozH1 ASP 8 HB2 -0.27 0.25 0.28 -0.04 2.71 2.93 3hozH1 ASP 8 HB3 -0.01 -0.03 -0.19 -0.04 2.70 2.42 3hozH1 ILE 9 H -0.04 0.15 0.22 -0.55 8.25 8.03 3hozH1 ILE 9 HA 0.32 0.39 1.18 -0.75 4.18 5.32 3hozH1 ILE 9 HB 0.03 -0.04 0.07 -0.04 1.89 1.92 3hozH1 ILE 9 HG12 0.12 -0.01 -0.16 -0.04 1.49 1.39 3hozH1 ILE 9 HG13 0.06 -0.12 -0.10 -0.04 1.21 1.01 3hozH1 ILE 9 HG23 0.11 0.03 -0.23 -0.04 0.93 0.81 3hozH1 ILE 9 HD13 0.04 0.02 -0.08 -0.04 0.88 0.82 3hozH1 PHE 10 H 0.44 0.54 0.38 -0.55 8.34 9.15 3hozH1 PHE 10 HA 0.05 0.28 1.02 -0.75 4.62 5.22 3hozH1 PHE 10 HB2 0.05 -0.05 -0.13 -0.04 3.15 2.98 3hozH1 PHE 10 HB3 0.05 -0.04 -0.17 -0.04 3.06 2.85 3hozH1 PHE 10 HD2 0.08 0.03 -0.41 -0.04 7.28 6.94 3hozH1 PHE 10 HE2 0.21 0.11 -0.27 -0.04 7.38 7.39 3hozH1 PHE 10 HZ 0.53 -0.04 -0.17 -0.04 7.32 7.61 3hozH1 GLN 11 H 0.18 0.33 0.27 -0.55 8.47 8.71 3hozH1 GLN 11 HA 0.09 0.79 1.10 -0.75 4.36 5.59 3hozH1 GLN 11 HB2 0.06 0.05 -0.11 -0.04 2.15 2.10 3hozH1 GLN 11 HB3 0.06 -0.01 0.08 -0.04 2.02 2.10 3hozH1 GLN 11 HG2 0.04 0.02 -0.32 -0.04 2.40 2.10 3hozH1 GLN 11 HG3 0.04 -0.19 0.01 -0.04 2.39 2.22 3hozH1 GLN 11 HE21 0.02 0.04 -0.07 -0.04 6.97 6.92 3hozH1 GLN 11 HE22 0.02 -0.05 -0.15 -0.04 7.69 7.47 3hozH1 VAL 12 H 0.05 0.15 0.20 -0.55 8.24 8.10 3hozH1 VAL 12 HA 0.04 0.08 0.28 -0.75 4.13 3.77 3hozH1 VAL 12 HB 0.01 -0.15 0.08 -0.04 2.12 2.03 3hozH1 VAL 12 HG13 -0.00 0.03 -0.39 -0.04 0.97 0.57 3hozH1 VAL 12 HG23 0.01 0.06 -0.16 -0.04 0.95 0.82 3hozH1 SER 13 H 0.04 0.39 0.75 -0.55 8.46 9.10 3hozH1 SER 13 HA 0.03 -0.01 0.52 -0.75 4.49 4.27 3hozH1 SER 13 HB2 0.04 -0.09 0.19 -0.04 3.95 4.05 3hozH1 SER 13 HB3 0.03 0.27 0.26 -0.04 3.93 4.45 3hozH1 GLU 14 H 0.01 0.35 0.11 -0.55 8.60 8.53 3hozH1 GLU 14 HA 0.01 0.05 0.43 -0.75 4.29 4.02 3hozH1 GLU 14 HB2 0.01 0.05 -0.48 -0.04 2.09 1.63 3hozH1 GLU 14 HB3 0.01 -0.03 -0.12 -0.04 1.99 1.81 3hozH1 GLU 14 HG2 0.01 -0.00 0.20 -0.04 2.34 2.50 3hozH1 GLU 14 HG3 0.01 0.00 0.04 -0.04 2.34 2.35 3hozH1 VAL 15 H -0.00 0.22 0.15 -0.55 8.24 8.06 3hozH1 VAL 15 HA -0.01 0.18 0.98 -0.75 4.13 4.53 3hozH1 VAL 15 HB -0.02 0.02 0.05 -0.04 2.12 2.13 3hozH1 VAL 15 HG13 -0.04 0.03 -0.16 -0.04 0.97 0.76 3hozH1 VAL 15 HG23 -0.03 0.02 -0.27 -0.04 0.95 0.63 3hozH1 ASP 16 H 0.00 0.81 0.24 -0.55 8.40 8.90 3hozH1 ASP 16 HA 0.02 0.28 1.15 -0.75 4.63 5.33 3hozH1 ASP 16 HB2 0.02 0.01 -0.09 -0.04 2.71 2.60 3hozH1 ASP 16 HB3 0.02 0.08 0.16 -0.04 2.70 2.92 3hozH1 PRO 17 HA 0.10 0.30 0.85 -0.51 4.44 5.18 3hozH1 PRO 17 HB2 0.07 -0.04 0.13 -0.04 2.28 2.39 3hozH1 PRO 17 HB3 0.04 0.08 -0.04 -0.04 2.02 2.05 3hozH1 PRO 17 HG2 0.03 -0.04 0.08 -0.04 2.03 2.06 3hozH1 PRO 17 HG3 0.02 0.08 0.04 -0.04 2.03 2.13 3hozH1 PRO 17 HD2 0.03 0.09 0.18 -0.04 3.68 3.94 3hozH1 PRO 17 HD3 0.02 0.25 0.10 -0.04 3.65 3.98 3hozH1 GLY 18 H 0.12 0.18 -0.18 -0.55 8.43 8.01 3hozH1 GLY 18 HA2 0.05 0.04 0.42 -0.51 4.01 4.00 3hozH1 GLY 18 HA3 0.09 0.04 0.33 -0.51 4.01 3.96 3hozH1 ARG 19 H 0.00 0.22 0.33 -0.55 8.46 8.46 3hozH1 ARG 19 HA -0.07 -0.01 0.36 -0.75 4.34 3.87 3hozH1 ARG 19 HB2 -0.24 0.23 0.09 -0.04 1.90 1.93 3hozH1 ARG 19 HB3 -0.19 -0.03 0.23 -0.04 1.80 1.77 3hozH1 ARG 19 HG2 -0.05 -0.08 -0.14 -0.04 1.67 1.37 3hozH1 ARG 19 HG3 -0.08 0.02 -0.06 -0.04 1.67 1.51 3hozH1 ARG 19 HD2 -0.07 0.00 0.06 -0.04 3.22 3.17 3hozH1 ARG 19 HD3 -0.04 -0.00 0.05 -0.04 3.22 3.19 3hozH1 TYR 20 H 0.09 0.31 -0.35 -0.55 8.29 7.78 3hozH1 TYR 20 HA 0.00 0.20 0.98 -0.75 4.56 5.00 3hozH1 TYR 20 HB2 0.01 -0.02 -0.10 -0.04 3.06 2.91 3hozH1 TYR 20 HB3 0.01 -0.14 0.24 -0.04 2.98 3.05 3hozH1 TYR 20 HD2 0.01 -0.06 -0.09 -0.04 7.15 6.97 3hozH1 TYR 20 HE2 0.01 -0.04 -0.02 -0.04 6.85 6.76 3hozH1 ASN 21 H 0.03 0.19 -0.07 -0.55 8.53 8.14 3hozH1 ASN 21 HA 0.04 0.04 0.30 -0.75 4.76 4.39 3hozH1 ASN 21 HB2 0.04 -0.02 0.00 -0.04 2.88 2.87 3hozH1 ASN 21 HB3 0.03 0.04 0.01 -0.04 2.79 2.83 3hozH1 ASN 21 HD21 -0.00 0.01 0.01 -0.04 7.03 7.00 3hozH1 ASN 21 HD22 0.01 0.01 -0.00 -0.04 7.74 7.72 3hozH1 LYS 22 H 0.12 -0.03 -0.51 -0.55 8.42 7.45 3hozH1 LYS 22 HA 0.05 0.29 1.02 -0.75 4.32 4.92 3hozH1 LYS 22 HB2 0.06 -0.01 -0.04 -0.04 1.87 1.83 3hozH1 LYS 22 HB3 0.04 -0.05 0.11 -0.04 1.79 1.84 3hozH1 LYS 22 HG2 0.03 0.15 -0.23 -0.04 1.46 1.37 3hozH1 LYS 22 HG3 0.04 -0.11 -0.33 -0.04 1.46 1.02 3hozH1 LYS 22 HD2 0.03 -0.01 -0.06 -0.04 1.69 1.61 3hozH1 LYS 22 HD3 0.02 -0.01 -0.04 -0.04 1.68 1.62 3hozH1 LYS 22 HE2 0.02 0.04 -0.06 -0.04 2.99 2.95 3hozH1 LYS 22 HE3 0.02 -0.02 -0.06 -0.04 2.99 2.88 3hozH1 VAL 23 H 0.11 0.63 0.14 -0.55 8.24 8.57 3hozH1 VAL 23 HA 0.01 0.10 0.99 -0.75 4.13 4.48 3hozH1 VAL 23 HB -0.21 -0.03 -0.04 -0.04 2.12 1.80 3hozH1 VAL 23 HG13 -0.10 0.01 -0.22 -0.04 0.97 0.62 3hozH1 VAL 23 HG23 -0.00 -0.04 -0.29 -0.04 0.95 0.59 3hozH1 CYS 24 H -0.02 0.56 0.35 -0.55 8.50 8.85 3hozH1 CYS 24 HA -0.00 0.25 0.99 -0.75 4.58 5.06 3hozH1 CYS 24 HB2 -0.02 -0.01 -0.01 -0.04 2.97 2.89 3hozH1 CYS 24 HB3 -0.01 -0.03 -0.27 -0.04 2.97 2.62 3hozH1 ARG 25 H -0.01 0.65 0.39 -0.55 8.46 8.94 3hozH1 ARG 25 HA -0.02 0.05 0.75 -0.75 4.34 4.36 3hozH1 ARG 25 HB2 -0.03 -0.02 0.10 -0.04 1.90 1.91 3hozH1 ARG 25 HB3 0.00 -0.01 0.20 -0.04 1.80 1.95 3hozH1 ARG 25 HG2 0.00 0.04 -0.20 -0.04 1.67 1.47 3hozH1 ARG 25 HG3 -0.00 -0.03 -0.12 -0.04 1.67 1.48 3hozH1 ARG 25 HD2 0.02 -0.00 -0.02 -0.04 3.22 3.17 3hozH1 ARG 25 HD3 0.02 0.00 -0.07 -0.04 3.22 3.13 3hozH1 ILE 26 H -0.03 0.85 0.32 -0.55 8.25 8.85 3hozH1 ILE 26 HA -0.01 0.23 1.14 -0.75 4.18 4.78 3hozH1 ILE 26 HB -0.04 0.00 -0.10 -0.04 1.89 1.71 3hozH1 ILE 26 HG12 -0.02 -0.12 -0.04 -0.04 1.49 1.27 3hozH1 ILE 26 HG13 -0.02 0.10 0.00 -0.04 1.21 1.25 3hozH1 ILE 26 HG23 -0.06 0.10 -0.14 -0.04 0.93 0.78 3hozH1 ILE 26 HD13 -0.04 -0.01 -0.24 -0.04 0.88 0.55 3hozH1 GLU 27 H -0.00 0.44 0.31 -0.55 8.60 8.79 3hozH1 GLU 27 HA -0.02 0.28 0.82 -0.75 4.29 4.62 3hozH1 GLU 27 HB2 0.01 -0.06 0.08 -0.04 2.09 2.08 3hozH1 GLU 27 HB3 0.02 -0.01 0.09 -0.04 1.99 2.05 3hozH1 GLU 27 HG2 -0.00 0.23 0.44 -0.04 2.34 2.97 3hozH1 GLU 27 HG3 -0.00 -0.00 -0.39 -0.04 2.34 1.91 3hozH1 ALA 28 H 0.03 0.42 0.28 -0.55 8.40 8.58 3hozH1 ALA 28 HA 0.08 0.04 1.01 -0.75 4.34 4.72 3hozH1 ALA 28 HB3 0.11 -0.03 -0.32 -0.04 1.41 1.13 3hozH1 ALA 29 H 0.14 0.27 0.32 -0.55 8.40 8.58 3hozH1 ALA 29 HA 0.21 0.27 1.00 -0.75 4.34 5.06 3hozH1 ALA 29 HB3 0.06 0.01 0.08 -0.04 1.41 1.51 3hozH1 SER 30 H -0.01 0.35 0.24 -0.55 8.46 8.49 3hozH1 SER 30 HA -0.73 0.16 0.60 -0.75 4.49 3.76 3hozH1 SER 30 HB2 -0.38 0.03 0.14 -0.04 3.95 3.70 3hozH1 SER 30 HB3 -0.10 0.20 0.26 -0.04 3.93 4.24 3hozH1 THR 31 H -0.28 0.51 0.26 -0.55 8.28 8.22 3hozH1 THR 31 HA -0.07 0.14 0.60 -0.75 4.39 4.31 3hozH1 THR 31 HB -0.08 -0.07 0.24 -0.04 4.32 4.37 3hozH1 THR 31 HG23 -0.03 -0.01 0.07 -0.04 1.22 1.21 3hozH1 THR 32 H -0.11 0.39 -0.93 -0.55 8.28 7.08 3hozH1 THR 32 HA -0.09 0.10 0.41 -0.75 4.39 4.06 3hozH1 THR 32 HB -0.17 -0.16 0.14 -0.04 4.32 4.09 3hozH1 THR 32 HG23 -0.15 0.01 0.08 -0.04 1.22 1.13 3hozH1 GLN 33 H -0.15 0.11 0.13 -0.55 8.47 8.01 3hozH1 GLN 33 HA -0.06 0.11 0.43 -0.75 4.36 4.09 3hozH1 GLN 33 HB2 -0.01 -0.02 0.22 -0.04 2.15 2.30 3hozH1 GLN 33 HB3 0.06 -0.07 0.08 -0.04 2.02 2.04 3hozH1 GLN 33 HG2 -0.12 0.04 0.04 -0.04 2.40 2.32 3hozH1 GLN 33 HG3 -0.13 0.07 0.07 -0.04 2.39 2.36 3hozH1 GLN 33 HE21 -0.97 0.04 0.04 -0.04 6.97 6.03 3hozH1 GLN 33 HE22 -1.06 0.02 0.01 -0.04 7.69 6.62 3hozH1 ASP 34 H -0.01 0.19 0.17 -0.55 8.40 8.20 3hozH1 ASP 34 HA 0.01 0.19 0.62 -0.75 4.63 4.70 3hozH1 ASP 34 HB2 0.01 -0.03 0.15 -0.04 2.71 2.80 3hozH1 ASP 34 HB3 0.01 0.02 0.21 -0.04 2.70 2.89 3hozH1 GLN 35 H 0.06 -0.11 -1.18 -0.55 8.47 6.69 3hozH1 GLN 35 HA 0.06 0.23 0.75 -0.75 4.36 4.64 3hozH1 GLN 35 HB2 0.21 -0.10 0.03 -0.04 2.15 2.25 3hozH1 GLN 35 HB3 0.12 0.03 0.00 -0.04 2.02 2.14 3hozH1 GLN 35 HG2 0.06 0.09 -0.08 -0.04 2.40 2.43 3hozH1 GLN 35 HG3 0.07 -0.11 -0.08 -0.04 2.39 2.23 3hozH1 GLN 35 HE21 0.08 0.06 -0.04 -0.04 6.97 7.02 3hozH1 GLN 35 HE22 0.06 0.00 -0.03 -0.04 7.69 7.68 3hozH1 CYS 36 H 0.13 0.05 -0.02 -0.55 8.50 8.11 3hozH1 CYS 36 HA 0.16 0.10 0.29 -0.75 4.58 4.37 3hozH1 CYS 36 HB2 0.31 -0.11 0.18 -0.04 2.97 3.31 3hozH1 CYS 36 HB3 0.06 -0.05 0.24 -0.04 2.97 3.18 3hozH1 LYS 37 H 0.09 0.12 0.24 -0.55 8.42 8.32 3hozH1 LYS 37 HA 0.14 0.12 0.71 -0.75 4.32 4.53 3hozH1 LYS 37 HB2 0.02 -0.02 -0.10 -0.04 1.87 1.74 3hozH1 LYS 37 HB3 0.05 -0.02 0.06 -0.04 1.79 1.84 3hozH1 LYS 37 HG2 0.05 0.00 -0.11 -0.04 1.46 1.36 3hozH1 LYS 37 HG3 0.04 0.15 0.05 -0.04 1.46 1.65 3hozH1 LYS 37 HD2 0.00 -0.02 -0.05 -0.04 1.69 1.58 3hozH1 LYS 37 HD3 0.02 -0.02 -0.04 -0.04 1.68 1.60 3hozH1 LYS 37 HE2 0.02 0.01 -0.02 -0.04 2.99 2.96 3hozH1 LYS 37 HE3 0.02 0.04 0.02 -0.04 2.99 3.02 3hozH1 LEU 38 H 0.08 0.22 0.25 -0.55 8.37 8.38 3hozH1 LEU 38 HA -0.05 0.38 0.88 -0.75 4.35 4.81 3hozH1 LEU 38 HB2 -0.07 0.01 -0.33 -0.04 1.64 1.21 3hozH1 LEU 38 HB3 -0.16 -0.18 0.03 -0.04 1.64 1.29 3hozH1 LEU 38 HG -0.21 -0.00 -0.14 -0.04 1.64 1.25 3hozH1 LEU 38 HD13 -0.18 0.11 0.16 -0.04 0.93 0.97 3hozH1 LEU 38 HD23 -0.82 -0.02 -0.16 -0.04 0.89 -0.15 3hozH1 THR 39 H -0.08 0.64 0.41 -0.55 8.28 8.70 3hozH1 THR 39 HA -0.02 0.33 1.09 -0.75 4.39 5.03 3hozH1 THR 39 HB -0.01 -0.17 0.17 -0.04 4.32 4.27 3hozH1 THR 39 HG23 0.01 0.00 -0.04 -0.04 1.22 1.16 3hozH1 LEU 40 H -0.03 0.79 0.32 -0.55 8.37 8.91 3hozH1 LEU 40 HA 0.03 0.20 0.87 -0.75 4.35 4.69 3hozH1 LEU 40 HB2 -0.06 0.03 -0.08 -0.04 1.64 1.49 3hozH1 LEU 40 HB3 -0.09 -0.08 -0.07 -0.04 1.64 1.35 3hozH1 LEU 40 HG -0.07 0.14 -0.45 -0.04 1.64 1.21 3hozH1 LEU 40 HD13 0.09 -0.01 0.05 -0.04 0.93 1.02 3hozH1 LEU 40 HD23 -0.20 -0.03 -0.14 -0.04 0.89 0.48 3hozH1 ASP 41 H 0.05 0.57 0.30 -0.55 8.40 8.78 3hozH1 ASP 41 HA -0.02 0.07 0.75 -0.75 4.63 4.67 3hozH1 ASP 41 HB2 0.04 -0.02 0.11 -0.04 2.71 2.79 3hozH1 ASP 41 HB3 -0.05 -0.01 -0.02 -0.04 2.70 2.58 3hozH1 ILE 42 H -0.02 0.55 0.35 -0.55 8.25 8.58 3hozH1 ILE 42 HA 0.09 0.12 0.73 -0.75 4.18 4.37 3hozH1 ILE 42 HB -0.05 0.02 -0.09 -0.04 1.89 1.73 3hozH1 ILE 42 HG12 -0.49 -0.03 -0.03 -0.04 1.49 0.89 3hozH1 ILE 42 HG13 -0.13 0.20 -0.63 -0.04 1.21 0.61 3hozH1 ILE 42 HG23 0.12 -0.03 -0.41 -0.04 0.93 0.57 3hozH1 ILE 42 HD13 -0.18 -0.01 -0.19 -0.04 0.88 0.46 3hozH1 ASN 43 H 0.39 0.21 0.07 -0.55 8.53 8.66 3hozH1 ASN 43 HA 0.08 0.21 0.66 -0.75 4.76 4.95 3hozH1 ASN 43 HB2 0.08 0.05 0.15 -0.04 2.88 3.12 3hozH1 ASN 43 HB3 0.10 0.03 0.24 -0.04 2.79 3.12 3hozH1 ASN 43 HD21 -0.01 0.03 0.03 -0.04 7.03 7.04 3hozH1 ASN 43 HD22 -0.04 0.05 0.05 -0.04 7.74 7.76 3hozH1 VAL 44 H 0.05 0.35 0.23 -0.55 8.24 8.31 3hozH1 VAL 44 HA 0.01 0.29 0.08 -0.75 4.13 3.75 3hozH1 VAL 44 HB 0.00 0.03 -0.07 -0.04 2.12 2.04 3hozH1 VAL 44 HG13 -0.06 -0.01 0.09 -0.04 0.97 0.95 3hozH1 VAL 44 HG23 -0.02 0.06 -0.01 -0.04 0.95 0.94 3hozH1 GLU 45 H 0.07 0.07 -0.99 -0.55 8.60 7.21 3hozH1 GLU 45 HA 0.03 0.20 0.83 -0.75 4.29 4.60 3hozH1 GLU 45 HB2 0.03 0.05 -0.02 -0.04 2.09 2.11 3hozH1 GLU 45 HB3 0.03 -0.05 0.04 -0.04 1.99 1.98 3hozH1 GLU 45 HG2 0.02 0.01 -0.15 -0.04 2.34 2.18 3hozH1 GLU 45 HG3 0.02 0.02 0.05 -0.04 2.34 2.38 3hozH1 LEU 46 H 0.07 0.12 0.06 -0.55 8.37 8.07 3hozH1 LEU 46 HA 0.05 0.17 0.73 -0.75 4.35 4.54 3hozH1 LEU 46 HB2 -0.05 0.02 0.12 -0.04 1.64 1.69 3hozH1 LEU 46 HB3 -0.03 0.02 0.20 -0.04 1.64 1.79 3hozH1 LEU 46 HG 0.00 -0.09 -0.03 -0.04 1.64 1.48 3hozH1 LEU 46 HD13 -0.06 -0.00 0.03 -0.04 0.93 0.86 3hozH1 LEU 46 HD23 -0.00 0.02 -0.01 -0.04 0.89 0.86 3hozH1 PHE 47 H 0.15 -0.03 -0.59 -0.55 8.34 7.31 3hozH1 PHE 47 HA 0.08 0.06 0.27 -0.75 4.62 4.28 3hozH1 PHE 47 HB2 0.19 0.28 0.34 -0.04 3.15 3.93 3hozH1 PHE 47 HB3 0.46 -0.13 -0.04 -0.04 3.06 3.31 3hozH1 PHE 47 HD2 0.07 -0.07 -0.03 -0.04 7.28 7.21 3hozH1 PHE 47 HE2 -0.04 -0.04 -0.12 -0.04 7.38 7.14 3hozH1 PHE 47 HZ 0.02 -0.13 -0.18 -0.04 7.32 6.98 3hozH1 PRO 48 HA -0.15 0.03 0.34 -0.51 4.44 4.15 3hozH1 PRO 48 HB2 -0.11 -0.01 -0.07 -0.04 2.28 2.05 3hozH1 PRO 48 HB3 -0.07 0.02 0.05 -0.04 2.02 1.97 3hozH1 PRO 48 HG2 -0.01 0.01 0.00 -0.04 2.03 1.99 3hozH1 PRO 48 HG3 -0.01 0.17 -0.05 -0.04 2.03 2.10 3hozH1 PRO 48 HD2 0.02 0.11 0.05 -0.04 3.68 3.81 3hozH1 PRO 48 HD3 0.06 0.13 -0.10 -0.04 3.65 3.71 3hozH1 VAL 49 H -0.16 0.19 0.05 -0.55 8.24 7.76 3hozH1 VAL 49 HA -0.27 0.12 0.49 -0.75 4.13 3.72 3hozH1 VAL 49 HB -0.18 -0.07 -0.07 -0.04 2.12 1.76 3hozH1 VAL 49 HG13 -0.09 -0.03 -0.33 -0.04 0.97 0.48 3hozH1 VAL 49 HG23 -0.56 0.06 -0.32 -0.04 0.95 0.08 3hozH1 ALA 50 H -0.08 0.24 0.03 -0.55 8.40 8.05 3hozH1 ALA 50 HA -0.04 0.08 0.82 -0.75 4.34 4.45 3hozH1 ALA 50 HB3 -0.03 0.02 0.03 -0.04 1.41 1.39 3hozH1 ALA 51 H -0.01 0.06 0.09 -0.55 8.40 7.99 3hozH1 ALA 51 HA -0.00 -0.06 0.16 -0.75 4.34 3.68 3hozH1 ALA 51 HB3 0.00 0.02 0.07 -0.04 1.41 1.46 3hozH1 GLN 52 H 0.02 0.62 0.20 -0.55 8.47 8.75 3hozH1 GLN 52 HA 0.02 -0.04 0.32 -0.75 4.36 3.91 3hozH1 GLN 52 HB2 0.01 0.21 0.32 -0.04 2.15 2.65 3hozH1 GLN 52 HB3 0.02 -0.06 0.09 -0.04 2.02 2.03 3hozH1 GLN 52 HG2 0.01 -0.07 -0.39 -0.04 2.40 1.91 3hozH1 GLN 52 HG3 0.01 -0.02 -0.06 -0.04 2.39 2.28 3hozH1 GLN 52 HE21 0.01 0.00 0.06 -0.04 6.97 7.01 3hozH1 GLN 52 HE22 0.01 -0.03 0.02 -0.04 7.69 7.65 3hozH1 ASP 53 H 0.04 -0.21 0.21 -0.55 8.40 7.89 3hozH1 ASP 53 HA 0.03 0.19 0.79 -0.75 4.63 4.89 3hozH1 ASP 53 HB2 0.01 0.16 -0.44 -0.04 2.71 2.41 3hozH1 ASP 53 HB3 0.04 -0.08 -0.19 -0.04 2.70 2.43 3hozH1 SER 54 H 0.05 0.19 0.13 -0.55 8.46 8.29 3hozH1 SER 54 HA 0.08 0.26 0.73 -0.75 4.49 4.80 3hozH1 SER 54 HB2 0.04 -0.00 0.07 -0.04 3.95 4.02 3hozH1 SER 54 HB3 0.05 -0.01 0.23 -0.04 3.93 4.16 3hozH1 LEU 55 H 0.14 0.61 0.34 -0.55 8.37 8.92 3hozH1 LEU 55 HA 0.12 0.36 1.13 -0.75 4.35 5.21 3hozH1 LEU 55 HB2 0.10 -0.05 -0.02 -0.04 1.64 1.64 3hozH1 LEU 55 HB3 0.10 0.04 -0.12 -0.04 1.64 1.62 3hozH1 LEU 55 HG 0.13 -0.04 -0.60 -0.04 1.64 1.08 3hozH1 LEU 55 HD13 0.06 -0.00 -0.22 -0.04 0.93 0.73 3hozH1 LEU 55 HD23 0.30 0.04 -0.21 -0.04 0.89 0.99 3hozH1 THR 56 H 0.13 0.46 0.32 -0.55 8.28 8.63 3hozH1 THR 56 HA 0.20 0.08 0.70 -0.75 4.39 4.62 3hozH1 THR 56 HB 0.19 -0.06 0.13 -0.04 4.32 4.54 3hozH1 THR 56 HG23 0.15 0.00 -0.11 -0.04 1.22 1.23 3hozH1 VAL 57 H 0.32 0.67 0.42 -0.55 8.24 9.10 3hozH1 VAL 57 HA 0.04 0.42 1.18 -0.75 4.13 5.02 3hozH1 VAL 57 HB 0.27 -0.04 0.05 -0.04 2.12 2.35 3hozH1 VAL 57 HG13 -0.13 0.02 -0.02 -0.04 0.97 0.80 3hozH1 VAL 57 HG23 -0.18 0.01 -0.18 -0.04 0.95 0.56 3hozH1 THR 58 H -0.05 0.39 0.38 -0.55 8.28 8.45 3hozH1 THR 58 HA 0.25 0.39 0.98 -0.75 4.39 5.26 3hozH1 THR 58 HB -0.17 0.04 0.01 -0.04 4.32 4.15 3hozH1 THR 58 HG23 0.08 -0.03 0.13 -0.04 1.22 1.36 3hozH1 ILE 59 H 0.10 -0.02 0.16 -0.55 8.25 7.94 3hozH1 ILE 59 HA -0.05 0.39 0.83 -0.75 4.18 4.59 3hozH1 ILE 59 HB 0.09 -0.19 0.01 -0.04 1.89 1.76 3hozH1 ILE 59 HG12 -0.18 0.18 -0.05 -0.04 1.49 1.40 3hozH1 ILE 59 HG13 -0.10 -0.09 -0.54 -0.04 1.21 0.45 3hozH1 ILE 59 HG23 -0.06 -0.06 0.01 -0.04 0.93 0.78 3hozH1 ILE 59 HD13 -0.26 -0.00 -0.14 -0.04 0.88 0.44 3hozH1 ALA 60 H 0.06 0.08 0.09 -0.55 8.40 8.08 3hozH1 ALA 60 HA 0.07 0.06 0.35 -0.75 4.34 4.06 3hozH1 ALA 60 HB3 0.03 0.04 0.08 -0.04 1.41 1.52 3hozH1 SER 61 H 0.07 0.25 0.08 -0.55 8.46 8.31 3hozH1 SER 61 HA 0.18 0.12 0.83 -0.75 4.49 4.87 3hozH1 SER 61 HB2 0.10 0.04 0.18 -0.04 3.95 4.23 3hozH1 SER 61 HB3 0.11 0.01 -0.06 -0.04 3.93 3.95 3hozH1 SER 62 H -0.01 0.44 -0.05 -0.55 8.46 8.30 3hozH1 SER 62 HA -0.13 0.09 0.25 -0.75 4.49 3.95 3hozH1 SER 62 HB2 -0.01 0.39 0.21 -0.04 3.95 4.49 3hozH1 SER 62 HB3 -0.05 -0.07 -0.33 -0.04 3.93 3.45 3hozH1 LEU 63 H -0.18 -0.21 0.19 -0.55 8.37 7.63 3hozH1 LEU 63 HA -0.20 0.13 0.39 -0.75 4.35 3.91 3hozH1 LEU 63 HB2 -0.33 0.03 -0.14 -0.04 1.64 1.16 3hozH1 LEU 63 HB3 -0.21 -0.20 0.10 -0.04 1.64 1.29 3hozH1 LEU 63 HG -1.22 0.37 -0.31 -0.04 1.64 0.44 3hozH1 LEU 63 HD13 -0.43 0.00 -0.11 -0.04 0.93 0.35 3hozH1 LEU 63 HD23 -0.24 -0.02 -0.04 -0.04 0.89 0.55 3hozH1 ASN 64 H -0.10 -0.11 0.20 -0.55 8.53 7.97 3hozH1 ASN 64 HA -0.05 0.12 0.84 -0.75 4.76 4.91 3hozH1 ASN 64 HB2 -0.04 -0.04 0.08 -0.04 2.88 2.84 3hozH1 ASN 64 HB3 -0.06 0.07 -0.06 -0.04 2.79 2.69 3hozH1 ASN 64 HD21 -0.02 0.11 0.27 -0.04 7.03 7.35 3hozH1 ASN 64 HD22 -0.03 -0.04 -0.06 -0.04 7.74 7.58 3hozH1 LEU 65 H -0.03 0.09 0.06 -0.55 8.37 7.95 3hozH1 LEU 65 HA -0.02 0.28 0.68 -0.75 4.35 4.54 3hozH1 LEU 65 HB2 -0.01 0.05 0.07 -0.04 1.64 1.71 3hozH1 LEU 65 HB3 -0.01 0.05 -0.05 -0.04 1.64 1.58 3hozH1 LEU 65 HG -0.02 0.00 0.10 -0.04 1.64 1.68 3hozH1 LEU 65 HD13 -0.01 0.02 0.00 -0.04 0.93 0.90 3hozH1 LEU 65 HD23 -0.02 -0.08 -0.02 -0.04 0.89 0.73 3hozH1 THR 76 HA 0.13 -0.02 0.10 -0.75 4.39 3.85 3hozH1 THR 76 HB 0.20 -0.08 0.10 -0.04 4.32 4.51 3hozH1 THR 76 HG23 0.25 -0.00 -0.00 -0.04 1.22 1.42 3hozH1 ARG 77 H 0.15 0.29 0.10 -0.55 8.46 8.44 3hozH1 ARG 77 HA 0.08 -0.01 0.23 -0.75 4.34 3.88 3hozH1 ARG 77 HB2 0.06 0.55 0.63 -0.04 1.90 3.10 3hozH1 ARG 77 HB3 0.06 0.04 -0.04 -0.04 1.80 1.82 3hozH1 ARG 77 HG2 0.05 -0.34 0.18 -0.04 1.67 1.53 3hozH1 ARG 77 HG3 0.05 0.00 0.13 -0.04 1.67 1.81 3hozH1 ARG 77 HD2 0.03 -0.01 0.05 -0.04 3.22 3.25 3hozH1 ARG 77 HD3 0.03 -0.04 0.05 -0.04 3.22 3.22 3hozH1 SER 78 H 0.07 0.10 0.09 -0.55 8.46 8.18 3hozH1 SER 78 HA 0.13 -0.02 0.39 -0.75 4.49 4.23 3hozH1 SER 78 HB2 0.07 -0.03 0.12 -0.04 3.95 4.07 3hozH1 SER 78 HB3 0.06 -0.00 0.06 -0.04 3.93 4.01 3hozH1 TRP 79 H 0.33 0.04 0.21 -0.55 7.97 8.00 3hozH1 TRP 79 HA 0.06 0.09 0.59 -0.75 4.62 4.59 3hozH1 TRP 79 HB2 0.06 0.00 0.13 -0.04 3.23 3.38 3hozH1 TRP 79 HB3 0.04 -0.07 0.13 -0.04 3.23 3.28 3hozH1 TRP 79 HD1 0.11 -0.03 0.02 -0.04 7.22 7.28 3hozH1 TRP 79 HE1 0.07 -0.02 -0.01 -0.04 10.20 10.19 3hozH1 TRP 79 HE3 0.02 -0.07 -0.36 -0.04 7.59 7.14 3hozH1 TRP 79 HZ2 0.02 -0.04 -0.05 -0.04 7.44 7.33 3hozH1 TRP 79 HZ3 0.01 -0.08 -0.18 -0.04 7.13 6.85 3hozH1 TRP 79 HH2 0.01 -0.08 -0.06 -0.04 7.19 7.02 3hozH1 ARG 80 H -0.58 0.16 0.19 -0.55 8.46 7.68 3hozH1 ARG 80 HA -0.18 0.14 0.85 -0.75 4.34 4.40 3hozH1 ARG 80 HB2 -0.33 0.02 0.08 -0.04 1.90 1.63 3hozH1 ARG 80 HB3 -0.24 -0.00 0.00 -0.04 1.80 1.52 3hozH1 ARG 80 HG2 -0.07 -0.01 -0.15 -0.04 1.67 1.40 3hozH1 ARG 80 HG3 -0.09 0.08 -0.12 -0.04 1.67 1.49 3hozH1 ARG 80 HD2 -0.09 -0.00 -0.04 -0.04 3.22 3.05 3hozH1 ARG 80 HD3 -0.10 -0.01 -0.05 -0.04 3.22 3.02 3hozH1 PRO 81 HA -0.52 0.08 0.35 -0.51 4.44 3.83 3hozH1 PRO 81 HB2 -0.08 -0.05 0.01 -0.04 2.28 2.12 3hozH1 PRO 81 HB3 0.02 0.01 0.13 -0.04 2.02 2.15 3hozH1 PRO 81 HG2 0.02 0.01 0.05 -0.04 2.03 2.06 3hozH1 PRO 81 HG3 0.13 0.05 0.03 -0.04 2.03 2.20 3hozH1 PRO 81 HD2 -0.13 0.07 0.09 -0.04 3.68 3.67 3hozH1 PRO 81 HD3 -0.07 0.17 0.20 -0.04 3.65 3.91 3hozH1 PRO 82 HA -0.12 0.16 0.42 -0.51 4.44 4.39 3hozH1 PRO 82 HB2 -0.04 -0.02 0.05 -0.04 2.28 2.23 3hozH1 PRO 82 HB3 -0.01 0.09 0.09 -0.04 2.02 2.15 3hozH1 PRO 82 HG2 -0.04 -0.15 0.13 -0.04 2.03 1.93 3hozH1 PRO 82 HG3 -0.00 0.09 0.09 -0.04 2.03 2.17 3hozH1 PRO 82 HD2 -0.02 0.08 0.16 -0.04 3.68 3.87 3hozH1 PRO 82 HD3 0.03 0.14 0.15 -0.04 3.65 3.93 3hozH1 GLN 83 H -0.05 0.15 0.00 -0.55 8.47 8.03 3hozH1 GLN 83 HA -0.05 0.02 0.35 -0.75 4.36 3.93 3hozH1 GLN 83 HB2 -0.10 -0.02 -0.57 -0.04 2.15 1.41 3hozH1 GLN 83 HB3 -0.10 0.19 0.10 -0.04 2.02 2.17 3hozH1 GLN 83 HG2 -0.05 -0.01 -0.01 -0.04 2.40 2.29 3hozH1 GLN 83 HG3 -0.05 -0.04 -0.01 -0.04 2.39 2.25 3hozH1 GLN 83 HE21 -0.05 0.00 -0.04 -0.04 6.97 6.85 3hozH1 GLN 83 HE22 -0.04 -0.02 -0.03 -0.04 7.69 7.56 3hozH1 ALA 84 H -0.10 1.27 -0.92 -0.55 8.40 8.10 3hozH1 ALA 84 HA -0.06 0.08 0.08 -0.75 4.34 3.69 3hozH1 ALA 84 HB3 -0.07 0.02 0.01 -0.04 1.41 1.33 3hozH1 GLY 85 H -0.04 0.23 -1.41 -0.55 8.43 6.67 3hozH1 GLY 85 HA2 -0.02 -0.00 0.24 -0.51 4.01 3.72 3hozH1 GLY 85 HA3 -0.02 -0.00 0.22 -0.51 4.01 3.70 3hozH1 ASP 86 H -0.03 0.18 -0.56 -0.55 8.40 7.44 3hozH1 ASP 86 HA -0.02 0.18 0.76 -0.75 4.63 4.80 3hozH1 ASP 86 HB2 -0.02 -0.04 -0.15 -0.04 2.71 2.46 3hozH1 ASP 86 HB3 -0.02 -0.03 0.12 -0.04 2.70 2.73 3hozH1 ARG 87 H -0.03 0.50 0.11 -0.55 8.46 8.48 3hozH1 ARG 87 HA -0.03 0.06 0.54 -0.75 4.34 4.15 3hozH1 ARG 87 HB2 -0.05 0.02 0.03 -0.04 1.90 1.85 3hozH1 ARG 87 HB3 -0.05 0.05 0.13 -0.04 1.80 1.90 3hozH1 ARG 87 HG2 -0.05 -0.03 0.11 -0.04 1.67 1.66 3hozH1 ARG 87 HG3 -0.05 0.03 -0.15 -0.04 1.67 1.46 3hozH1 ARG 87 HD2 -0.08 0.03 0.03 -0.04 3.22 3.15 3hozH1 ARG 87 HD3 -0.07 -0.02 0.02 -0.04 3.22 3.12 3hozH1 SER 88 H -0.04 0.07 0.15 -0.55 8.46 8.09 3hozH1 SER 88 HA -0.03 0.07 0.48 -0.75 4.49 4.26 3hozH1 SER 88 HB2 -0.04 -0.01 0.13 -0.04 3.95 3.99 3hozH1 SER 88 HB3 -0.03 -0.01 0.16 -0.04 3.93 4.01 3hozH1 LEU 89 H -0.03 0.10 0.07 -0.55 8.37 7.96 3hozH1 LEU 89 HA -0.05 0.13 0.56 -0.75 4.35 4.23 3hozH1 LEU 89 HB2 -0.01 -0.13 0.15 -0.04 1.64 1.61 3hozH1 LEU 89 HB3 -0.03 0.13 0.08 -0.04 1.64 1.78 3hozH1 LEU 89 HG -0.02 -0.08 -0.21 -0.04 1.64 1.29 3hozH1 LEU 89 HD13 -0.01 -0.02 0.03 -0.04 0.93 0.89 3hozH1 LEU 89 HD23 -0.03 -0.00 -0.11 -0.04 0.89 0.72 3hozH1 ALA 90 H -0.07 0.70 0.26 -0.55 8.40 8.76 3hozH1 ALA 90 HA 0.02 0.01 0.37 -0.75 4.34 3.98 3hozH1 ALA 90 HB3 -0.05 0.00 0.10 -0.04 1.41 1.42 3hozH1 ASP 91 H 0.01 0.08 -2.25 -0.55 8.40 5.68 3hozH1 ASP 91 HA 0.08 0.05 0.28 -0.75 4.63 4.29 3hozH1 ASP 91 HB2 0.03 0.00 0.12 -0.04 2.71 2.82 3hozH1 ASP 91 HB3 0.00 -0.07 0.01 -0.04 2.70 2.61 3hozH1 ASP 92 H 0.11 0.12 -0.79 -0.55 8.40 7.30 3hozH1 ASP 92 HA -0.05 0.08 0.36 -0.75 4.63 4.27 3hozH1 ASP 92 HB2 -0.05 0.00 0.05 -0.04 2.71 2.67 3hozH1 ASP 92 HB3 -0.33 -0.03 0.20 -0.04 2.70 2.50 3hozH1 TYR 93 H 0.15 1.01 -0.21 -0.55 8.29 8.69 3hozH1 TYR 93 HA -0.04 0.06 0.63 -0.75 4.56 4.46 3hozH1 TYR 93 HB2 -0.04 -0.05 -0.14 -0.04 3.06 2.79 3hozH1 TYR 93 HB3 -0.07 0.27 -0.02 -0.04 2.98 3.12 3hozH1 TYR 93 HD2 -0.03 -0.08 -0.54 -0.04 7.15 6.46 3hozH1 TYR 93 HE2 0.00 -0.01 -0.19 -0.04 6.85 6.61 3hozH1 ASP 94 H 0.01 0.54 0.30 -0.55 8.40 8.70 3hozH1 ASP 94 HA -0.03 0.20 0.91 -0.75 4.63 4.96 3hozH1 ASP 94 HB2 -0.13 0.05 0.29 -0.04 2.71 2.87 3hozH1 ASP 94 HB3 -0.02 0.03 0.11 -0.04 2.70 2.78 3hozH1 TYR 95 H 0.01 0.09 -0.17 -0.55 8.29 7.66 3hozH1 TYR 95 HA -0.13 0.04 0.38 -0.75 4.56 4.10 3hozH1 TYR 95 HB2 -0.70 0.38 0.15 -0.04 3.06 2.85 3hozH1 TYR 95 HB3 -0.36 -0.11 0.04 -0.04 2.98 2.51 3hozH1 TYR 95 HD2 0.10 0.06 -0.28 -0.04 7.15 6.98 3hozH1 TYR 95 HE2 0.00 0.01 -0.09 -0.04 6.85 6.73 3hozH1 VAL 96 H -0.09 0.21 0.07 -0.55 8.24 7.87 3hozH1 VAL 96 HA -0.02 0.37 1.19 -0.75 4.13 4.92 3hozH1 VAL 96 HB 0.00 -0.06 0.15 -0.04 2.12 2.17 3hozH1 VAL 96 HG13 0.03 0.04 -0.12 -0.04 0.97 0.88 3hozH1 VAL 96 HG23 -0.07 -0.06 -0.16 -0.04 0.95 0.62 3hozH1 MET 97 H -0.07 0.18 0.07 -0.55 8.47 8.10 3hozH1 MET 97 HA -0.05 0.15 0.74 -0.75 4.52 4.61 3hozH1 MET 97 HB2 -0.74 -0.01 0.01 -0.04 2.15 1.37 3hozH1 MET 97 HB3 -0.42 -0.02 0.14 -0.04 2.03 1.68 3hozH1 MET 97 HG2 -0.05 0.02 -0.03 -0.04 2.63 2.53 3hozH1 MET 97 HG3 0.42 -0.04 -0.11 -0.04 2.56 2.79 3hozH1 MET 97 HE3 -0.24 0.03 -0.05 -0.04 2.10 1.80 3hozH1 TYR 98 H 0.09 0.33 0.24 -0.55 8.29 8.41 3hozH1 TYR 98 HA -0.03 0.31 0.80 -0.75 4.56 4.89 3hozH1 TYR 98 HB2 -0.14 0.08 -0.16 -0.04 3.06 2.79 3hozH1 TYR 98 HB3 -0.05 -0.07 0.02 -0.04 2.98 2.84 3hozH1 TYR 98 HD2 -0.13 0.07 0.07 -0.04 7.15 7.12 3hozH1 TYR 98 HE2 -0.10 -0.01 -0.04 -0.04 6.85 6.66 3hozH1 GLY 99 H 0.52 0.56 0.21 -0.55 8.43 9.18 3hozH1 GLY 99 HA2 -0.05 -0.09 0.57 -0.51 4.01 3.93 3hozH1 GLY 99 HA3 0.05 0.12 0.53 -0.51 4.01 4.19 3hozH1 THR 100 H -0.09 0.69 0.46 -0.55 8.28 8.80 3hozH1 THR 100 HA 0.16 0.57 1.06 -0.75 4.39 5.42 3hozH1 THR 100 HB -0.03 -0.12 0.03 -0.04 4.32 4.16 3hozH1 THR 100 HG23 0.05 0.01 -0.04 -0.04 1.22 1.19 3hozH1 ALA 101 H 0.10 0.39 0.19 -0.55 8.40 8.53 3hozH1 ALA 101 HA -0.56 0.22 1.01 -0.75 4.34 4.26 3hozH1 ALA 101 HB3 -0.45 0.04 0.01 -0.04 1.41 0.98 3hozH1 TYR 102 H 0.09 0.24 0.22 -0.55 8.29 8.29 3hozH1 TYR 102 HA -0.03 0.23 0.98 -0.75 4.56 4.99 3hozH1 TYR 102 HB2 -0.08 -0.02 0.00 -0.04 3.06 2.93 3hozH1 TYR 102 HB3 -0.08 -0.01 0.01 -0.04 2.98 2.86 3hozH1 TYR 102 HD2 -0.15 0.05 0.01 -0.04 7.15 7.02 3hozH1 TYR 102 HE2 -0.18 -0.01 -0.29 -0.04 6.85 6.33 3hozH1 LYS 103 H -0.65 0.08 0.23 -0.55 8.42 7.53 3hozH1 LYS 103 HA 0.08 0.37 1.28 -0.75 4.32 5.29 3hozH1 LYS 103 HB2 -0.11 0.01 -0.08 -0.04 1.87 1.64 3hozH1 LYS 103 HB3 -0.26 -0.05 0.03 -0.04 1.79 1.47 3hozH1 LYS 103 HG2 0.03 -0.04 -0.25 -0.04 1.46 1.17 3hozH1 LYS 103 HG3 0.03 0.05 0.04 -0.04 1.46 1.55 3hozH1 LYS 103 HD2 -0.06 0.01 -0.05 -0.04 1.69 1.56 3hozH1 LYS 103 HD3 -0.09 -0.04 -0.07 -0.04 1.68 1.44 3hozH1 LYS 103 HE2 0.02 0.00 -0.10 -0.04 2.99 2.87 3hozH1 LYS 103 HE3 0.01 0.04 -0.04 -0.04 2.99 2.96 3hozH1 PHE 104 H 0.21 0.20 0.08 -0.55 8.34 8.29 3hozH1 PHE 104 HA -0.07 0.23 0.99 -0.75 4.62 5.02 3hozH1 PHE 104 HB2 -0.04 -0.04 0.19 -0.04 3.15 3.22 3hozH1 PHE 104 HB3 -0.04 0.03 0.11 -0.04 3.06 3.12 3hozH1 PHE 104 HD2 -0.06 -0.05 -0.18 -0.04 7.28 6.95 3hozH1 PHE 104 HE2 -0.08 0.20 -0.14 -0.04 7.38 7.33 3hozH1 PHE 104 HZ -0.06 0.32 -0.09 -0.04 7.32 7.44 3hozH1 GLU 105 H 0.01 0.24 0.06 -0.55 8.60 8.37 3hozH1 GLU 105 HA 0.06 0.06 0.47 -0.75 4.29 4.12 3hozH1 GLU 105 HB2 0.20 -0.01 0.03 -0.04 2.09 2.27 3hozH1 GLU 105 HB3 0.06 0.03 0.03 -0.04 1.99 2.07 3hozH1 GLU 105 HG2 0.04 -0.07 -0.12 -0.04 2.34 2.15 3hozH1 GLU 105 HG3 0.05 0.01 0.03 -0.04 2.34 2.39 3hozH1 GLU 106 H 0.03 0.16 0.06 -0.55 8.60 8.29 3hozH1 GLU 106 HA 0.01 0.16 0.81 -0.75 4.29 4.52 3hozH1 GLU 106 HB2 0.02 -0.02 0.15 -0.04 2.09 2.20 3hozH1 GLU 106 HB3 0.02 -0.03 0.05 -0.04 1.99 1.98 3hozH1 GLU 106 HG2 0.02 0.01 -0.07 -0.04 2.34 2.27 3hozH1 GLU 106 HG3 0.04 0.12 -0.33 -0.04 2.34 2.13 3hozH1 VAL 107 H -0.01 0.26 0.04 -0.55 8.24 7.98 3hozH1 VAL 107 HA 0.01 -0.03 0.37 -0.75 4.13 3.73 3hozH1 VAL 107 HB -0.01 0.14 0.28 -0.04 2.12 2.49 3hozH1 VAL 107 HG13 0.00 -0.02 0.07 -0.04 0.97 0.98 3hozH1 VAL 107 HG23 -0.03 -0.02 -0.00 -0.04 0.95 0.86 3hozH1 SER 108 H 0.01 1.12 0.17 -0.55 8.46 9.22 3hozH1 SER 108 HA 0.01 0.04 0.26 -0.75 4.49 4.04 3hozH1 SER 108 HB2 0.01 -0.11 0.15 -0.04 3.95 3.96 3hozH1 SER 108 HB3 0.01 0.01 0.08 -0.04 3.93 3.99 3hozH1 LYS 109 H 0.01 0.10 0.12 -0.55 8.42 8.10 3hozH1 LYS 109 HA 0.01 0.02 0.36 -0.75 4.32 3.96 3hozH1 LYS 109 HB2 0.01 0.01 -0.17 -0.04 1.87 1.69 3hozH1 LYS 109 HB3 0.01 0.09 0.34 -0.04 1.79 2.19 3hozH1 LYS 109 HG2 0.02 0.01 0.04 -0.04 1.46 1.49 3hozH1 LYS 109 HG3 0.01 -0.00 0.05 -0.04 1.46 1.48 3hozH1 LYS 109 HD2 0.01 0.02 0.01 -0.04 1.69 1.69 3hozH1 LYS 109 HD3 0.02 0.02 0.02 -0.04 1.68 1.70 3hozH1 LYS 109 HE2 0.02 0.01 -0.00 -0.04 2.99 2.97 3hozH1 LYS 109 HE3 0.02 -0.00 -0.01 -0.04 2.99 2.96 3hozH1 ASP 110 H 0.02 0.18 0.20 -0.55 8.40 8.26 3hozH1 ASP 110 HA 0.01 0.12 0.56 -0.75 4.63 4.57 3hozH1 ASP 110 HB2 0.03 0.01 0.20 -0.04 2.71 2.90 3hozH1 ASP 110 HB3 0.02 0.03 -0.09 -0.04 2.70 2.61 3hozH1 LEU 111 H 0.01 0.59 -0.01 -0.55 8.37 8.42 3hozH1 LEU 111 HA -0.00 0.47 1.04 -0.75 4.35 5.10 3hozH1 LEU 111 HB2 0.00 0.22 0.26 -0.04 1.64 2.09 3hozH1 LEU 111 HB3 0.00 -0.06 0.16 -0.04 1.64 1.70 3hozH1 LEU 111 HG 0.02 -0.31 -0.03 -0.04 1.64 1.28 3hozH1 LEU 111 HD13 0.02 0.04 0.06 -0.04 0.93 1.01 3hozH1 LEU 111 HD23 0.03 0.03 0.03 -0.04 0.89 0.94 3hozH1 ILE 112 H -0.04 0.24 -0.04 -0.55 8.25 7.87 3hozH1 ILE 112 HA -0.02 0.06 0.66 -0.75 4.18 4.13 3hozH1 ILE 112 HB 0.00 -0.01 -0.07 -0.04 1.89 1.77 3hozH1 ILE 112 HG12 0.02 0.04 -0.07 -0.04 1.49 1.44 3hozH1 ILE 112 HG13 0.02 0.14 0.14 -0.04 1.21 1.48 3hozH1 ILE 112 HG23 -0.04 -0.02 -0.29 -0.04 0.93 0.54 3hozH1 ILE 112 HD13 0.09 -0.01 -0.09 -0.04 0.88 0.83 3hozH1 ALA 113 H -0.08 0.53 0.15 -0.55 8.40 8.45 3hozH1 ALA 113 HA -0.20 0.18 0.80 -0.75 4.34 4.37 3hozH1 ALA 113 HB3 -0.24 -0.02 0.03 -0.04 1.41 1.14 3hozH1 VAL 114 H -0.38 0.21 0.22 -0.55 8.24 7.74 3hozH1 VAL 114 HA -0.62 0.30 1.20 -0.75 4.13 4.25 3hozH1 VAL 114 HB -1.13 0.12 0.05 -0.04 2.12 1.12 3hozH1 VAL 114 HG13 -0.63 -0.00 -0.17 -0.04 0.97 0.13 3hozH1 VAL 114 HG23 -0.19 -0.03 -0.12 -0.04 0.95 0.57 3hozH1 TYR 115 H -0.54 0.57 0.39 -0.55 8.29 8.16 3hozH1 TYR 115 HA -0.33 0.38 1.26 -0.75 4.56 5.12 3hozH1 TYR 115 HB2 -1.33 -0.23 0.25 -0.04 3.06 1.70 3hozH1 TYR 115 HB3 -0.79 0.04 0.13 -0.04 2.98 2.31 3hozH1 TYR 115 HD2 -0.31 0.10 -0.02 -0.04 7.15 6.89 3hozH1 TYR 115 HE2 -0.13 -0.04 -0.09 -0.04 6.85 6.56 3hozH1 TYR 116 H -0.00 0.53 0.35 -0.55 8.29 8.61 3hozH1 TYR 116 HA -0.08 0.35 1.10 -0.75 4.56 5.18 3hozH1 TYR 116 HB2 -0.21 -0.06 -0.03 -0.04 3.06 2.72 3hozH1 TYR 116 HB3 -0.64 0.02 -0.22 -0.04 2.98 2.10 3hozH1 TYR 116 HD2 -0.13 -0.04 -0.42 -0.04 7.15 6.52 3hozH1 TYR 116 HE2 -0.03 0.11 -0.14 -0.04 6.85 6.75 3hozH1 SER 117 H -0.05 0.87 0.42 -0.55 8.46 9.15 3hozH1 SER 117 HA -0.19 0.29 1.03 -0.75 4.49 4.87 3hozH1 SER 117 HB2 -0.27 -0.01 -0.06 -0.04 3.95 3.57 3hozH1 SER 117 HB3 -0.23 -0.01 0.09 -0.04 3.93 3.74 3hozH1 PHE 118 H -0.05 1.10 0.13 -0.55 8.34 8.98 3hozH1 PHE 118 HA -0.01 0.17 1.05 -0.75 4.62 5.07 3hozH1 PHE 118 HB2 0.03 -0.05 0.21 -0.04 3.15 3.29 3hozH1 PHE 118 HB3 0.03 0.08 0.12 -0.04 3.06 3.25 3hozH1 PHE 118 HD2 0.05 0.03 -0.81 -0.04 7.28 6.51 3hozH1 PHE 118 HE2 -0.02 0.08 -0.28 -0.04 7.38 7.11 3hozH1 PHE 118 HZ -0.12 0.01 -0.23 -0.04 7.32 6.93 3hozH1 GLY 119 H -0.04 0.19 -0.01 -0.55 8.43 8.03 3hozH1 GLY 119 HA2 -0.06 0.02 0.30 -0.51 4.01 3.76 3hozH1 GLY 119 HA3 -0.02 0.07 0.36 -0.51 4.01 3.90 3hozH1 GLY 120 H -0.06 0.04 -0.40 -0.55 8.43 7.47 3hozH1 GLY 120 HA2 -0.05 -0.03 0.29 -0.51 4.01 3.71 3hozH1 GLY 120 HA3 -0.02 0.24 0.90 -0.51 4.01 4.63 3hozH1 LEU 121 H 0.06 0.57 -0.21 -0.55 8.37 8.24 3hozH1 LEU 121 HA 0.02 -0.01 0.51 -0.75 4.35 4.11 3hozH1 LEU 121 HB2 0.24 0.05 0.15 -0.04 1.64 2.04 3hozH1 LEU 121 HB3 0.15 0.06 -0.02 -0.04 1.64 1.78 3hozH1 LEU 121 HG 0.05 0.10 0.02 -0.04 1.64 1.77 3hozH1 LEU 121 HD13 0.09 -0.00 -0.09 -0.04 0.93 0.89 3hozH1 LEU 121 HD23 -0.04 -0.02 -0.12 -0.04 0.89 0.66 3hozH1 LEU 122 H 0.04 0.07 0.25 -0.55 8.37 8.18 3hozH1 LEU 122 HA 0.03 0.26 0.98 -0.75 4.35 4.87 3hozH1 LEU 122 HB2 0.06 -0.06 0.10 -0.04 1.64 1.69 3hozH1 LEU 122 HB3 0.13 -0.02 0.11 -0.04 1.64 1.82 3hozH1 LEU 122 HG 0.00 0.14 0.01 -0.04 1.64 1.75 3hozH1 LEU 122 HD13 0.08 -0.01 -0.01 -0.04 0.93 0.95 3hozH1 LEU 122 HD23 0.04 -0.01 -0.10 -0.04 0.89 0.78 3hozH1 MET 123 H 0.10 0.27 0.35 -0.55 8.47 8.64 3hozH1 MET 123 HA 0.05 0.15 0.59 -0.75 4.52 4.55 3hozH1 MET 123 HB2 0.23 0.05 0.06 -0.04 2.15 2.44 3hozH1 MET 123 HB3 0.12 -0.02 0.02 -0.04 2.03 2.11 3hozH1 MET 123 HG2 -0.02 -0.08 -0.27 -0.04 2.63 2.23 3hozH1 MET 123 HG3 -0.02 0.21 0.20 -0.04 2.56 2.91 3hozH1 MET 123 HE3 -0.07 0.00 -0.08 -0.04 2.10 1.91 3hozH1 ARG 124 H -0.05 0.66 0.47 -0.55 8.46 8.98 3hozH1 ARG 124 HA -0.34 0.32 1.15 -0.75 4.34 4.72 3hozH1 ARG 124 HB2 -0.08 -0.04 -0.08 -0.04 1.90 1.65 3hozH1 ARG 124 HB3 -0.11 -0.08 0.09 -0.04 1.80 1.66 3hozH1 ARG 124 HG2 -0.42 0.17 -0.08 -0.04 1.67 1.30 3hozH1 ARG 124 HG3 -1.16 -0.01 -0.00 -0.04 1.67 0.46 3hozH1 ARG 124 HD2 -0.03 -0.03 -0.07 -0.04 3.22 3.04 3hozH1 ARG 124 HD3 -0.10 -0.04 -0.14 -0.04 3.22 2.89 3hozH1 LEU 125 H -0.34 0.51 0.38 -0.55 8.37 8.38 3hozH1 LEU 125 HA -0.11 0.31 1.00 -0.75 4.35 4.80 3hozH1 LEU 125 HB2 -0.21 0.02 -0.03 -0.04 1.64 1.38 3hozH1 LEU 125 HB3 -0.20 -0.08 0.11 -0.04 1.64 1.43 3hozH1 LEU 125 HG -0.09 0.04 0.07 -0.04 1.64 1.61 3hozH1 LEU 125 HD13 -0.20 0.04 0.08 -0.04 0.93 0.81 3hozH1 LEU 125 HD23 -0.43 -0.02 -0.05 -0.04 0.89 0.35 3hozH1 GLU 126 H 0.02 0.29 0.32 -0.55 8.60 8.68 3hozH1 GLU 126 HA -0.09 0.35 0.76 -0.75 4.29 4.55 3hozH1 GLU 126 HB2 0.02 -0.34 0.15 -0.04 2.09 1.87 3hozH1 GLU 126 HB3 -0.01 0.07 0.15 -0.04 1.99 2.17 3hozH1 GLU 126 HG2 -0.12 0.22 0.09 -0.04 2.34 2.49 3hozH1 GLU 126 HG3 -0.06 -0.06 -0.30 -0.04 2.34 1.88 3hozH1 GLY 127 H -0.05 0.33 0.11 -0.55 8.43 8.27 3hozH1 GLY 127 HA2 0.05 -0.03 0.18 -0.51 4.01 3.71 3hozH1 GLY 127 HA3 -0.29 0.04 0.90 -0.51 4.01 4.14 3hozH1 ASN 128 H -1.18 -0.05 0.14 -0.55 8.53 6.90 3hozH1 ASN 128 HA -0.18 -0.00 0.23 -0.75 4.76 4.05 3hozH1 ASN 128 HB2 -0.04 0.43 1.03 -0.04 2.88 4.26 3hozH1 ASN 128 HB3 0.04 -0.08 0.21 -0.04 2.79 2.92 3hozH1 ASN 128 HD21 0.02 -0.10 0.08 -0.04 7.03 6.99 3hozH1 ASN 128 HD22 0.02 0.49 0.35 -0.04 7.74 8.56 3hozH1 TYR 129 H -0.64 -0.09 0.22 -0.55 8.29 7.24 3hozH1 TYR 129 HA 0.03 0.29 0.92 -0.75 4.56 5.05 3hozH1 TYR 129 HB2 0.01 0.04 0.03 -0.04 3.06 3.09 3hozH1 TYR 129 HB3 0.01 0.09 0.11 -0.04 2.98 3.15 3hozH1 TYR 129 HD2 -0.01 0.14 -0.19 -0.04 7.15 7.05 3hozH1 TYR 129 HE2 0.01 0.08 -0.00 -0.04 6.85 6.90 3hozH1 ARG 130 H -0.07 0.00 0.10 -0.55 8.46 7.93 3hozH1 ARG 130 HA 0.13 0.18 0.67 -0.75 4.34 4.55 3hozH1 ARG 130 HB2 0.09 0.09 0.19 -0.04 1.90 2.22 3hozH1 ARG 130 HB3 0.16 -0.36 0.32 -0.04 1.80 1.87 3hozH1 ARG 130 HG2 0.44 0.10 0.11 -0.04 1.67 2.28 3hozH1 ARG 130 HG3 0.28 0.15 0.12 -0.04 1.67 2.19 3hozH1 ARG 130 HD2 0.35 0.09 0.04 -0.04 3.22 3.65 3hozH1 ARG 130 HD3 0.06 -0.36 0.06 -0.04 3.22 2.95 3hozH1 ASN 131 H 0.08 0.46 -0.83 -0.55 8.53 7.69 3hozH1 ASN 131 HA 0.05 0.14 0.34 -0.75 4.76 4.53 3hozH1 ASN 131 HB2 0.05 0.02 -0.03 -0.04 2.88 2.89 3hozH1 ASN 131 HB3 0.04 0.05 -0.03 -0.04 2.79 2.81 3hozH1 ASN 131 HD21 0.03 0.27 -0.29 -0.04 7.03 7.00 3hozH1 ASN 131 HD22 0.03 0.02 -0.17 -0.04 7.74 7.57 3hozH1 LEU 132 H 0.06 0.08 -0.07 -0.55 8.37 7.89 3hozH1 LEU 132 HA 0.04 0.24 0.71 -0.75 4.35 4.58 3hozH1 LEU 132 HB2 0.04 -0.03 0.02 -0.04 1.64 1.63 3hozH1 LEU 132 HB3 0.04 0.04 0.13 -0.04 1.64 1.81 3hozH1 LEU 132 HG 0.03 -0.04 -0.18 -0.04 1.64 1.40 3hozH1 LEU 132 HD13 0.03 0.00 -0.02 -0.04 0.93 0.90 3hozH1 LEU 132 HD23 0.02 0.03 0.00 -0.04 0.89 0.90 3hozH1 ASN 133 H 0.09 -0.07 -0.53 -0.55 8.53 7.48 3hozH1 ASN 133 HA 0.09 0.27 0.98 -0.75 4.76 5.33 3hozH1 ASN 133 HB2 0.12 -0.23 0.19 -0.04 2.88 2.93 3hozH1 ASN 133 HB3 0.15 0.27 0.16 -0.04 2.79 3.33 3hozH1 ASN 133 HD21 0.07 0.02 -0.07 -0.04 7.03 7.01 3hozH1 ASN 133 HD22 0.10 -0.04 0.01 -0.04 7.74 7.77 3hozH1 ASN 134 H 0.15 0.04 0.12 -0.55 8.53 8.29 3hozH1 ASN 134 HA 0.20 0.01 0.40 -0.75 4.76 4.62 3hozH1 ASN 134 HB2 0.17 -0.02 0.21 -0.04 2.88 3.19 3hozH1 ASN 134 HB3 0.28 0.07 0.13 -0.04 2.79 3.23 3hozH1 ASN 134 HD21 -0.02 -0.01 -0.03 -0.04 7.03 6.93 3hozH1 ASN 134 HD22 0.12 -0.11 0.04 -0.04 7.74 7.75 3hozH1 LEU 135 H 0.15 0.41 0.46 -0.55 8.37 8.85 3hozH1 LEU 135 HA 0.04 0.01 0.26 -0.75 4.35 3.91 3hozH1 LEU 135 HB2 0.13 0.02 0.08 -0.04 1.64 1.83 3hozH1 LEU 135 HB3 0.07 -0.18 0.10 -0.04 1.64 1.58 3hozH1 LEU 135 HG 0.06 0.11 0.02 -0.04 1.64 1.79 3hozH1 LEU 135 HD13 0.08 0.01 0.09 -0.04 0.93 1.07 3hozH1 LEU 135 HD23 0.04 -0.02 0.04 -0.04 0.89 0.90 3hozH1 LYS 136 H -0.10 0.08 0.13 -0.55 8.42 7.98 3hozH1 LYS 136 HA 0.14 0.21 0.58 -0.75 4.32 4.49 3hozH1 LYS 136 HB2 -0.26 -0.06 0.06 -0.04 1.87 1.57 3hozH1 LYS 136 HB3 -0.42 0.04 0.12 -0.04 1.79 1.49 3hozH1 LYS 136 HG2 -0.89 -0.02 0.01 -0.04 1.46 0.51 3hozH1 LYS 136 HG3 -2.46 0.08 -0.06 -0.04 1.46 -1.02 3hozH1 LYS 136 HD2 -0.30 -0.05 0.01 -0.04 1.69 1.31 3hozH1 LYS 136 HD3 -0.27 -0.04 0.03 -0.04 1.68 1.36 3hozH1 LYS 136 HE2 -0.33 -0.03 -0.01 -0.04 2.99 2.58 3hozH1 LYS 136 HE3 -0.34 0.06 -0.05 -0.04 2.99 2.61 3hozH1 GLN 137 H 0.09 -0.08 -0.38 -0.55 8.47 7.55 3hozH1 GLN 137 HA 0.06 0.05 0.38 -0.75 4.36 4.10 3hozH1 GLN 137 HB2 0.10 -0.14 0.09 -0.04 2.15 2.15 3hozH1 GLN 137 HB3 0.06 -0.01 0.09 -0.04 2.02 2.13 3hozH1 GLN 137 HG2 0.11 -0.14 -0.08 -0.04 2.40 2.25 3hozH1 GLN 137 HG3 0.16 0.22 -0.21 -0.04 2.39 2.51 3hozH1 GLN 137 HE21 0.09 0.03 0.01 -0.04 6.97 7.06 3hozH1 GLN 137 HE22 0.12 0.03 -0.10 -0.04 7.69 7.70 3hozH1 GLU 138 H 0.09 0.03 0.19 -0.55 8.60 8.36 3hozH1 GLU 138 HA 0.10 -0.02 0.56 -0.75 4.29 4.18 3hozH1 GLU 138 HB2 0.05 0.01 0.16 -0.04 2.09 2.26 3hozH1 GLU 138 HB3 0.08 -0.10 0.20 -0.04 1.99 2.13 3hozH1 GLU 138 HG2 -0.00 -0.01 -0.01 -0.04 2.34 2.28 3hozH1 GLU 138 HG3 0.01 -0.03 -0.01 -0.04 2.34 2.26 3hozH1 ASN 139 H 0.14 -0.08 0.00 -0.55 8.53 8.05 3hozH1 ASN 139 HA 0.26 -0.00 0.29 -0.75 4.76 4.56 3hozH1 ASN 139 HB2 0.13 -0.09 0.07 -0.04 2.88 2.95 3hozH1 ASN 139 HB3 0.15 0.01 -0.15 -0.04 2.79 2.75 3hozH1 ASN 139 HD21 0.12 0.12 0.01 -0.04 7.03 7.24 3hozH1 ASN 139 HD22 0.10 -0.06 0.04 -0.04 7.74 7.78 3hozH1 ALA 140 H 0.03 0.01 0.03 -0.55 8.40 7.92 3hozH1 ALA 140 HA 0.08 0.04 0.22 -0.75 4.34 3.94 3hozH1 ALA 140 HB3 0.08 0.12 0.07 -0.04 1.41 1.65 3hozH1 TYR 141 H 0.21 0.50 0.20 -0.55 8.29 8.66 3hozH1 TYR 141 HA -0.03 0.17 1.00 -0.75 4.56 4.95 3hozH1 TYR 141 HB2 -0.13 0.05 0.12 -0.04 3.06 3.06 3hozH1 TYR 141 HB3 -0.13 0.10 0.04 -0.04 2.98 2.94 3hozH1 TYR 141 HD2 -0.18 0.04 0.05 -0.04 7.15 7.01 3hozH1 TYR 141 HE2 -0.18 -0.01 -0.09 -0.04 6.85 6.52 3hozH1 LEU 142 H -0.06 0.40 0.02 -0.55 8.37 8.19 3hozH1 LEU 142 HA -0.11 0.29 0.85 -0.75 4.35 4.63 3hozH1 LEU 142 HB2 -0.16 -0.01 -0.14 -0.04 1.64 1.30 3hozH1 LEU 142 HB3 -0.44 -0.16 -0.05 -0.04 1.64 0.96 3hozH1 LEU 142 HG -0.18 0.03 0.02 -0.04 1.64 1.46 3hozH1 LEU 142 HD13 -0.09 0.04 0.00 -0.04 0.93 0.85 3hozH1 LEU 142 HD23 -0.24 -0.02 -0.13 -0.04 0.89 0.45 3hozH1 LEU 143 H -0.20 0.28 0.24 -0.55 8.37 8.14 3hozH1 LEU 143 HA -0.23 0.34 1.01 -0.75 4.35 4.73 3hozH1 LEU 143 HB2 -1.21 -0.08 -0.10 -0.04 1.64 0.21 3hozH1 LEU 143 HB3 -0.99 -0.01 -0.02 -0.04 1.64 0.58 3hozH1 LEU 143 HG -0.22 0.15 -0.80 -0.04 1.64 0.73 3hozH1 LEU 143 HD13 -0.20 0.02 -0.23 -0.04 0.93 0.48 3hozH1 LEU 143 HD23 -0.28 -0.01 -0.13 -0.04 0.89 0.42 3hozH1 ILE 144 H -0.11 0.42 0.28 -0.55 8.25 8.29 3hozH1 ILE 144 HA 0.05 0.55 0.99 -0.75 4.18 5.01 3hozH1 ILE 144 HB -0.23 -0.01 -0.03 -0.04 1.89 1.58 3hozH1 ILE 144 HG12 -0.14 0.07 -0.19 -0.04 1.49 1.19 3hozH1 ILE 144 HG13 -0.19 -0.16 -0.77 -0.04 1.21 0.05 3hozH1 ILE 144 HG23 0.02 -0.00 -0.13 -0.04 0.93 0.78 3hozH1 ILE 144 HD13 -0.42 -0.01 -0.17 -0.04 0.88 0.24 3hozH1 ARG 145 H 0.16 0.33 0.32 -0.55 8.46 8.72 3hozH1 ARG 145 HA 0.00 0.11 0.89 -0.75 4.34 4.59 3hozH1 ARG 145 HB2 -0.06 0.02 0.11 -0.04 1.90 1.93 3hozH1 ARG 145 HB3 -0.03 0.06 0.00 -0.04 1.80 1.80 3hozH1 ARG 145 HG2 0.13 -0.03 0.08 -0.04 1.67 1.81 3hozH1 ARG 145 HG3 0.01 -0.03 -0.07 -0.04 1.67 1.54 3hozH1 ARG 145 HD2 -0.19 -0.00 -0.01 -0.04 3.22 2.98 3hozH1 ARG 145 HD3 -0.65 0.22 0.02 -0.04 3.22 2.76 3hozH1 ARG 146 H 0.03 0.20 0.08 -0.55 8.46 8.22 3hozH1 ARG 146 HA 0.07 0.04 0.21 -0.75 4.34 3.91 3hozH1 ARG 146 HB2 0.05 -0.10 -0.23 -0.04 1.90 1.58 3hozH1 ARG 146 HB3 0.09 0.44 0.55 -0.04 1.80 2.83 3hozH1 ARG 146 HG2 0.06 -0.00 0.13 -0.04 1.67 1.81 3hozH1 ARG 146 HG3 0.04 -0.05 0.07 -0.04 1.67 1.70 3hozH1 ARG 146 HD2 0.04 0.04 0.07 -0.04 3.22 3.34 3hozH1 ARG 146 HD3 0.03 -0.04 0.04 -0.04 3.22 3.20