============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 13 rings ring int. center anis. iso. HIS 2 0.900 -23.568 -0.323 9.846 -99.200 -91.000 PHE 6 1.000 -8.480 -0.990 -0.863 -99.200 -91.000 TYR 18 0.840 9.007 -7.699 2.113 -99.200 -91.000 TRP 34 1.040 -11.239 -5.201 -0.965 -99.200 -91.000 TRP6 34 1.020 -11.245 -7.085 -2.386 -99.200 -91.000 PHE 37 1.000 -11.636 2.999 -3.039 -99.200 -91.000 TYR 45 0.840 3.621 -1.090 -11.637 -99.200 -91.000 HIS 80 0.900 28.377 -0.966 11.732 -99.200 -91.000 HIS 81 0.900 24.334 -7.964 16.348 -99.200 -91.000 HIS 82 0.900 26.157 -9.084 9.456 -99.200 -91.000 HIS 83 0.900 34.017 -6.102 9.796 -99.200 -91.000 HIS 84 0.900 31.995 -10.083 4.319 -99.200 -91.000 HIS 85 0.900 31.179 -15.356 9.152 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2jovA1 MET 1 HA -0.17 -0.01 0.19 -0.75 4.52 3.78 2jovA1 MET 1 HB2 -0.12 -0.14 0.10 -0.04 2.15 1.95 2jovA1 MET 1 HB3 -0.30 0.02 -0.03 -0.04 2.03 1.68 2jovA1 MET 1 HG2 -0.07 -0.00 0.03 -0.04 2.63 2.55 2jovA1 MET 1 HG3 -0.07 0.01 0.02 -0.04 2.56 2.48 2jovA1 MET 1 HE3 -0.04 0.00 0.01 -0.04 2.10 2.03 2jovA1 HIS 2 H -0.04 0.11 0.03 -0.55 8.41 7.97 2jovA1 HIS 2 HA -0.00 0.21 0.90 -0.75 4.63 4.99 2jovA1 HIS 2 HB2 0.01 -0.10 0.17 -0.04 3.26 3.30 2jovA1 HIS 2 HB3 0.01 -0.01 0.03 -0.04 3.20 3.18 2jovA1 HIS 2 HD2 0.00 -0.00 -0.03 -0.04 6.97 6.90 2jovA1 HIS 2 HE1 0.00 -0.01 -0.03 -0.04 7.75 7.67 2jovA1 LYS 3 H 0.14 0.17 0.17 -0.55 8.42 8.34 2jovA1 LYS 3 HA 0.05 0.13 0.77 -0.75 4.32 4.51 2jovA1 LYS 3 HB2 0.07 0.01 -0.26 -0.04 1.87 1.64 2jovA1 LYS 3 HB3 0.07 0.04 -0.64 -0.04 1.79 1.22 2jovA1 LYS 3 HG2 0.05 -0.03 -0.17 -0.04 1.46 1.26 2jovA1 LYS 3 HG3 0.07 -0.02 -0.47 -0.04 1.46 1.01 2jovA1 LYS 3 HD2 0.04 0.11 -0.19 -0.04 1.69 1.62 2jovA1 LYS 3 HD3 0.05 -0.22 -0.19 -0.04 1.68 1.29 2jovA1 LYS 3 HE2 0.03 -0.05 -0.03 -0.04 2.99 2.90 2jovA1 LYS 3 HE3 0.02 0.05 -0.07 -0.04 2.99 2.94 2jovA1 ASP 4 H 0.05 0.60 0.27 -0.55 8.40 8.76 2jovA1 ASP 4 HA 0.02 0.20 0.94 -0.75 4.63 5.02 2jovA1 ASP 4 HB2 -0.05 -0.01 -0.04 -0.04 2.71 2.57 2jovA1 ASP 4 HB3 -0.04 -0.02 -0.01 -0.04 2.70 2.59 2jovA1 ILE 5 H 0.04 0.18 0.13 -0.55 8.25 8.05 2jovA1 ILE 5 HA 0.14 0.01 0.51 -0.75 4.18 4.08 2jovA1 ILE 5 HB 0.04 -0.02 0.13 -0.04 1.89 2.00 2jovA1 ILE 5 HG12 0.05 -0.07 -0.01 -0.04 1.49 1.42 2jovA1 ILE 5 HG13 0.04 0.05 -0.02 -0.04 1.21 1.24 2jovA1 ILE 5 HG23 0.09 0.04 -0.16 -0.04 0.93 0.85 2jovA1 ILE 5 HD13 0.08 0.06 -0.39 -0.04 0.88 0.58 2jovA1 PHE 6 H 0.34 0.14 0.23 -0.55 8.34 8.50 2jovA1 PHE 6 HA 0.51 0.03 0.41 -0.75 4.62 4.82 2jovA1 PHE 6 HB2 0.34 0.00 0.08 -0.04 3.15 3.53 2jovA1 PHE 6 HB3 0.21 -0.05 0.13 -0.04 3.06 3.31 2jovA1 PHE 6 HD2 0.17 -0.07 -0.15 -0.04 7.28 7.19 2jovA1 PHE 6 HE2 -0.22 0.11 -0.13 -0.04 7.38 7.10 2jovA1 PHE 6 HZ -0.10 0.02 -0.29 -0.04 7.32 6.91 2jovA1 THR 7 H 0.16 0.19 0.20 -0.55 8.28 8.28 2jovA1 THR 7 HA -0.25 0.33 0.85 -0.75 4.39 4.57 2jovA1 THR 7 HB 0.02 -0.04 0.14 -0.04 4.32 4.40 2jovA1 THR 7 HG23 -0.02 -0.00 -0.08 -0.04 1.22 1.08 2jovA1 SER 8 H -0.31 0.69 0.32 -0.55 8.46 8.62 2jovA1 SER 8 HA -0.08 0.17 0.81 -0.75 4.49 4.63 2jovA1 SER 8 HB2 -0.89 -0.02 -0.29 -0.04 3.95 2.70 2jovA1 SER 8 HB3 -0.24 -0.00 -0.12 -0.04 3.93 3.52 2jovA1 VAL 9 H -0.09 0.20 0.15 -0.55 8.24 7.96 2jovA1 VAL 9 HA -0.04 0.22 1.05 -0.75 4.13 4.61 2jovA1 VAL 9 HB -0.03 0.00 0.11 -0.04 2.12 2.16 2jovA1 VAL 9 HG13 -0.02 0.01 -0.24 -0.04 0.97 0.68 2jovA1 VAL 9 HG23 -0.01 -0.01 -0.13 -0.04 0.95 0.76 2jovA1 VAL 10 H -0.04 0.55 0.30 -0.55 8.24 8.50 2jovA1 VAL 10 HA -0.08 0.25 0.98 -0.75 4.13 4.53 2jovA1 VAL 10 HB -0.02 -0.08 -0.04 -0.04 2.12 1.94 2jovA1 VAL 10 HG13 -0.02 0.02 -0.05 -0.04 0.97 0.87 2jovA1 VAL 10 HG23 -0.08 0.08 0.09 -0.04 0.95 1.00 2jovA1 ARG 11 H -0.19 0.34 0.25 -0.55 8.46 8.31 2jovA1 ARG 11 HA -0.06 0.04 0.62 -0.75 4.34 4.19 2jovA1 ARG 11 HB2 -0.71 0.14 0.20 -0.04 1.90 1.48 2jovA1 ARG 11 HB3 -0.17 0.02 0.00 -0.04 1.80 1.62 2jovA1 ARG 11 HG2 -0.09 -0.03 -0.01 -0.04 1.67 1.50 2jovA1 ARG 11 HG3 -0.20 0.01 0.07 -0.04 1.67 1.51 2jovA1 ARG 11 HD2 -0.48 0.10 0.00 -0.04 3.22 2.80 2jovA1 ARG 11 HD3 -0.07 -0.03 -0.02 -0.04 3.22 3.06 2jovA1 VAL 12 H 0.03 0.59 0.41 -0.55 8.24 8.73 2jovA1 VAL 12 HA 0.06 0.23 1.04 -0.75 4.13 4.72 2jovA1 VAL 12 HB 0.06 0.04 -0.15 -0.04 2.12 2.03 2jovA1 VAL 12 HG13 0.04 -0.03 -0.37 -0.04 0.97 0.57 2jovA1 VAL 12 HG23 0.00 -0.04 -0.23 -0.04 0.95 0.65 2jovA1 ARG 13 H 0.15 0.46 -0.01 -0.55 8.46 8.51 2jovA1 ARG 13 HA 0.12 0.08 0.52 -0.75 4.34 4.30 2jovA1 ARG 13 HB2 0.25 -0.02 -0.05 -0.04 1.90 2.03 2jovA1 ARG 13 HB3 0.07 -0.00 0.05 -0.04 1.80 1.87 2jovA1 ARG 13 HG2 -0.17 -0.02 -0.04 -0.04 1.67 1.40 2jovA1 ARG 13 HG3 -0.03 -0.01 -0.15 -0.04 1.67 1.44 2jovA1 ARG 13 HD2 0.00 0.03 -0.01 -0.04 3.22 3.20 2jovA1 ARG 13 HD3 -0.18 0.00 -0.07 -0.04 3.22 2.93 2jovA1 GLY 14 H 0.05 0.38 0.22 -0.55 8.43 8.53 2jovA1 GLY 14 HA2 0.02 -0.03 0.21 -0.51 4.01 3.70 2jovA1 GLY 14 HA3 0.03 0.15 0.49 -0.51 4.01 4.17 2jovA1 SER 15 H 0.02 0.14 0.07 -0.55 8.46 8.15 2jovA1 SER 15 HA 0.02 0.13 0.73 -0.75 4.49 4.61 2jovA1 SER 15 HB2 0.01 -0.02 0.12 -0.04 3.95 4.02 2jovA1 SER 15 HB3 0.01 0.01 0.23 -0.04 3.93 4.14 2jovA1 LYS 16 H 0.04 0.34 0.08 -0.55 8.42 8.32 2jovA1 LYS 16 HA 0.04 0.23 0.73 -0.75 4.32 4.56 2jovA1 LYS 16 HB2 0.08 -0.09 -0.17 -0.04 1.87 1.65 2jovA1 LYS 16 HB3 0.04 0.02 -0.25 -0.04 1.79 1.56 2jovA1 LYS 16 HG2 0.05 -0.06 -0.40 -0.04 1.46 1.02 2jovA1 LYS 16 HG3 0.05 0.07 -0.66 -0.04 1.46 0.87 2jovA1 LYS 16 HD2 0.10 0.17 -0.40 -0.04 1.69 1.52 2jovA1 LYS 16 HD3 0.12 -0.16 -0.24 -0.04 1.68 1.35 2jovA1 LYS 16 HE2 0.10 -0.22 -0.60 -0.04 2.99 2.23 2jovA1 LYS 16 HE3 0.06 -0.11 -0.39 -0.04 2.99 2.51 2jovA1 LYS 17 H 0.02 0.07 0.03 -0.55 8.42 7.99 2jovA1 LYS 17 HA -0.04 -0.03 0.43 -0.75 4.32 3.92 2jovA1 LYS 17 HB2 -0.01 0.06 -0.08 -0.04 1.87 1.79 2jovA1 LYS 17 HB3 0.01 0.14 0.33 -0.04 1.79 2.23 2jovA1 LYS 17 HG2 -0.40 -0.02 -0.11 -0.04 1.46 0.90 2jovA1 LYS 17 HG3 -0.13 -0.05 0.05 -0.04 1.46 1.29 2jovA1 LYS 17 HD2 -0.05 0.00 -0.00 -0.04 1.69 1.60 2jovA1 LYS 17 HD3 -0.13 0.02 0.02 -0.04 1.68 1.55 2jovA1 LYS 17 HE2 -0.10 -0.02 0.00 -0.04 2.99 2.83 2jovA1 LYS 17 HE3 -0.06 -0.02 0.00 -0.04 2.99 2.86 2jovA1 TYR 18 H 0.20 0.62 0.15 -0.55 8.29 8.71 2jovA1 TYR 18 HA 0.01 0.04 0.45 -0.75 4.56 4.30 2jovA1 TYR 18 HB2 0.01 0.08 0.01 -0.04 3.06 3.12 2jovA1 TYR 18 HB3 0.01 -0.09 0.16 -0.04 2.98 3.02 2jovA1 TYR 18 HD2 0.01 0.04 0.13 -0.04 7.15 7.29 2jovA1 TYR 18 HE2 0.01 -0.00 0.06 -0.04 6.85 6.87 2jovA1 ASN 19 H 0.20 -0.02 0.22 -0.55 8.53 8.38 2jovA1 ASN 19 HA 0.08 0.32 0.97 -0.75 4.76 5.38 2jovA1 ASN 19 HB2 0.06 -0.00 0.08 -0.04 2.88 2.97 2jovA1 ASN 19 HB3 0.05 0.06 -0.06 -0.04 2.79 2.80 2jovA1 ASN 19 HD21 0.06 0.03 0.04 -0.04 7.03 7.12 2jovA1 ASN 19 HD22 0.06 0.00 0.04 -0.04 7.74 7.81 2jovA1 VAL 20 H 0.10 -0.02 0.25 -0.55 8.24 8.02 2jovA1 VAL 20 HA 0.01 0.17 1.03 -0.75 4.13 4.59 2jovA1 VAL 20 HB -0.01 0.07 -0.05 -0.04 2.12 2.09 2jovA1 VAL 20 HG13 0.00 -0.02 -0.20 -0.04 0.97 0.71 2jovA1 VAL 20 HG23 0.03 -0.02 -0.07 -0.04 0.95 0.85 2jovA1 VAL 21 H -0.02 0.67 0.26 -0.55 8.24 8.60 2jovA1 VAL 21 HA -0.09 0.22 0.96 -0.75 4.13 4.47 2jovA1 VAL 21 HB -0.05 0.04 -0.19 -0.04 2.12 1.88 2jovA1 VAL 21 HG13 -0.02 0.00 -0.09 -0.04 0.97 0.82 2jovA1 VAL 21 HG23 -0.08 0.03 -0.05 -0.04 0.95 0.81 2jovA1 PRO 22 HA -0.04 0.22 0.80 -0.51 4.44 4.91 2jovA1 PRO 22 HB2 -0.03 0.03 0.02 -0.04 2.28 2.25 2jovA1 PRO 22 HB3 -0.03 0.04 0.08 -0.04 2.02 2.07 2jovA1 PRO 22 HG2 -0.06 -0.08 0.16 -0.04 2.03 2.01 2jovA1 PRO 22 HG3 -0.06 0.07 0.08 -0.04 2.03 2.08 2jovA1 PRO 22 HD2 -0.12 0.07 0.26 -0.04 3.68 3.86 2jovA1 PRO 22 HD3 -0.08 0.18 0.11 -0.04 3.65 3.82 2jovA1 VAL 23 H -0.05 0.75 0.46 -0.55 8.24 8.86 2jovA1 VAL 23 HA -0.00 0.12 1.08 -0.75 4.13 4.57 2jovA1 VAL 23 HB 0.07 0.01 -0.16 -0.04 2.12 1.99 2jovA1 VAL 23 HG13 0.00 0.01 -0.20 -0.04 0.97 0.74 2jovA1 VAL 23 HG23 0.05 0.00 -0.12 -0.04 0.95 0.84 2jovA1 LYS 24 H 0.04 0.81 0.40 -0.55 8.42 9.13 2jovA1 LYS 24 HA 0.03 0.32 1.00 -0.75 4.32 4.91 2jovA1 LYS 24 HB2 0.05 0.05 0.16 -0.04 1.87 2.10 2jovA1 LYS 24 HB3 0.01 -0.03 -0.05 -0.04 1.79 1.68 2jovA1 LYS 24 HG2 0.02 -0.04 0.00 -0.04 1.46 1.40 2jovA1 LYS 24 HG3 0.04 -0.03 -0.20 -0.04 1.46 1.23 2jovA1 LYS 24 HD2 0.02 -0.04 -0.08 -0.04 1.69 1.54 2jovA1 LYS 24 HD3 0.03 0.07 -0.06 -0.04 1.68 1.68 2jovA1 LYS 24 HE2 0.01 0.03 -0.05 -0.04 2.99 2.93 2jovA1 LYS 24 HE3 0.00 -0.05 -0.07 -0.04 2.99 2.84 2jovA1 SER 25 H 0.18 0.45 0.27 -0.55 8.46 8.82 2jovA1 SER 25 HA 0.12 0.26 1.19 -0.75 4.49 5.31 2jovA1 SER 25 HB2 0.36 -0.05 0.07 -0.04 3.95 4.30 2jovA1 SER 25 HB3 0.24 -0.03 0.16 -0.04 3.93 4.25 2jovA1 ASN 26 H 0.05 0.33 0.31 -0.55 8.53 8.68 2jovA1 ASN 26 HA 0.04 0.15 0.60 -0.75 4.76 4.80 2jovA1 ASN 26 HB2 0.02 0.04 0.07 -0.04 2.88 2.98 2jovA1 ASN 26 HB3 0.02 0.01 0.09 -0.04 2.79 2.87 2jovA1 ASN 26 HD21 0.01 0.07 0.01 -0.04 7.03 7.08 2jovA1 ASN 26 HD22 0.00 -0.01 0.08 -0.04 7.74 7.77 2jovA1 LYS 27 H 0.07 0.00 0.05 -0.55 8.42 7.98 2jovA1 LYS 27 HA 0.05 0.28 0.92 -0.75 4.32 4.82 2jovA1 LYS 27 HB2 0.05 -0.13 0.05 -0.04 1.87 1.79 2jovA1 LYS 27 HB3 0.04 0.12 0.02 -0.04 1.79 1.93 2jovA1 LYS 27 HG2 0.03 0.09 -0.04 -0.04 1.46 1.49 2jovA1 LYS 27 HG3 0.03 -0.12 -0.31 -0.04 1.46 1.02 2jovA1 LYS 27 HD2 0.02 0.04 -0.03 -0.04 1.69 1.68 2jovA1 LYS 27 HD3 0.01 0.02 -0.02 -0.04 1.68 1.66 2jovA1 LYS 27 HE2 0.01 -0.10 0.05 -0.04 2.99 2.91 2jovA1 LYS 27 HE3 0.02 -0.11 0.02 -0.04 2.99 2.87 2jovA1 PRO 28 HA 0.10 0.00 0.07 -0.51 4.44 4.10 2jovA1 PRO 28 HB2 0.06 -0.02 -0.13 -0.04 2.28 2.16 2jovA1 PRO 28 HB3 0.07 0.10 -0.25 -0.04 2.02 1.89 2jovA1 PRO 28 HG2 0.05 0.04 0.04 -0.04 2.03 2.11 2jovA1 PRO 28 HG3 0.05 0.07 0.01 -0.04 2.03 2.12 2jovA1 PRO 28 HD2 0.04 0.10 0.15 -0.04 3.68 3.93 2jovA1 PRO 28 HD3 0.05 0.20 0.23 -0.04 3.65 4.08 2jovA1 VAL 29 H 0.14 0.69 0.14 -0.55 8.24 8.66 2jovA1 VAL 29 HA 0.10 0.17 0.88 -0.75 4.13 4.53 2jovA1 VAL 29 HB 0.23 0.01 -0.04 -0.04 2.12 2.27 2jovA1 VAL 29 HG13 0.11 -0.01 0.00 -0.04 0.97 1.04 2jovA1 VAL 29 HG23 0.28 -0.00 -0.02 -0.04 0.95 1.17 2jovA1 GLU 30 H 0.04 0.17 0.16 -0.55 8.60 8.42 2jovA1 GLU 30 HA 0.04 0.16 0.75 -0.75 4.29 4.48 2jovA1 GLU 30 HB2 0.01 -0.05 0.14 -0.04 2.09 2.16 2jovA1 GLU 30 HB3 0.02 0.16 0.15 -0.04 1.99 2.28 2jovA1 GLU 30 HG2 -0.04 -0.22 0.12 -0.04 2.34 2.16 2jovA1 GLU 30 HG3 -0.02 0.08 0.03 -0.04 2.34 2.39 2jovA1 ILE 31 H 0.03 0.28 0.24 -0.55 8.25 8.25 2jovA1 ILE 31 HA 0.12 0.11 0.32 -0.75 4.18 3.98 2jovA1 ILE 31 HB -0.06 0.08 0.14 -0.04 1.89 2.01 2jovA1 ILE 31 HG12 0.05 -0.01 -0.16 -0.04 1.49 1.33 2jovA1 ILE 31 HG13 -0.11 -0.00 0.08 -0.04 1.21 1.14 2jovA1 ILE 31 HG23 -0.00 0.02 0.08 -0.04 0.93 0.99 2jovA1 ILE 31 HD13 -0.10 0.03 -0.00 -0.04 0.88 0.76 2jovA1 SER 32 H 0.03 0.09 -0.27 -0.55 8.46 7.76 2jovA1 SER 32 HA 0.06 0.14 0.46 -0.75 4.49 4.39 2jovA1 SER 32 HB2 -0.01 0.07 0.01 -0.04 3.95 3.98 2jovA1 SER 32 HB3 0.01 0.06 0.08 -0.04 3.93 4.05 2jovA1 LYS 33 H -0.03 0.34 -0.33 -0.55 8.42 7.85 2jovA1 LYS 33 HA -0.32 0.13 0.69 -0.75 4.32 4.07 2jovA1 LYS 33 HB2 -0.25 0.09 0.09 -0.04 1.87 1.76 2jovA1 LYS 33 HB3 -1.03 0.01 0.04 -0.04 1.79 0.77 2jovA1 LYS 33 HG2 -0.12 -0.09 -0.05 -0.04 1.46 1.16 2jovA1 LYS 33 HG3 -0.15 0.04 0.02 -0.04 1.46 1.33 2jovA1 LYS 33 HD2 -0.24 -0.01 -0.03 -0.04 1.69 1.37 2jovA1 LYS 33 HD3 -0.11 0.05 -0.05 -0.04 1.68 1.53 2jovA1 LYS 33 HE2 -0.07 0.05 -0.02 -0.04 2.99 2.92 2jovA1 LYS 33 HE3 -0.59 -0.06 -0.01 -0.04 2.99 2.29 2jovA1 TRP 34 H 0.18 0.29 -0.19 -0.55 7.97 7.70 2jovA1 TRP 34 HA 0.36 0.02 0.45 -0.75 4.62 4.70 2jovA1 TRP 34 HB2 0.14 0.01 0.02 -0.04 3.23 3.36 2jovA1 TRP 34 HB3 0.05 0.22 0.17 -0.04 3.23 3.63 2jovA1 TRP 34 HD1 0.11 -0.16 0.06 -0.04 7.22 7.19 2jovA1 TRP 34 HE1 -0.24 0.57 0.14 -0.04 10.20 10.63 2jovA1 TRP 34 HE3 0.03 0.03 -0.11 -0.04 7.59 7.50 2jovA1 TRP 34 HZ2 -0.06 0.06 0.07 -0.04 7.44 7.47 2jovA1 TRP 34 HZ3 0.01 -0.00 -0.03 -0.04 7.13 7.07 2jovA1 TRP 34 HH2 -0.01 0.01 0.00 -0.04 7.19 7.15 2jovA1 ILE 35 H 0.27 0.36 -0.27 -0.55 8.25 8.06 2jovA1 ILE 35 HA -0.26 0.09 0.44 -0.75 4.18 3.70 2jovA1 ILE 35 HB 0.05 0.11 0.09 -0.04 1.89 2.10 2jovA1 ILE 35 HG12 0.46 -0.01 0.02 -0.04 1.49 1.92 2jovA1 ILE 35 HG13 0.44 0.16 0.11 -0.04 1.21 1.88 2jovA1 ILE 35 HG23 0.02 0.00 -0.06 -0.04 0.93 0.84 2jovA1 ILE 35 HD13 0.15 -0.01 0.01 -0.04 0.88 0.99 2jovA1 ASP 36 H -0.11 0.22 -0.26 -0.55 8.40 7.70 2jovA1 ASP 36 HA -0.06 0.06 0.32 -0.75 4.63 4.19 2jovA1 ASP 36 HB2 -0.12 0.09 0.17 -0.04 2.71 2.81 2jovA1 ASP 36 HB3 -0.37 0.02 0.20 -0.04 2.70 2.50 2jovA1 PHE 37 H -0.32 0.74 -0.17 -0.55 8.34 8.04 2jovA1 PHE 37 HA -0.20 0.02 0.40 -0.75 4.62 4.08 2jovA1 PHE 37 HB2 -0.82 0.10 0.06 -0.04 3.15 2.44 2jovA1 PHE 37 HB3 -0.82 -0.06 -0.05 -0.04 3.06 2.10 2jovA1 PHE 37 HD2 -0.57 -0.03 -0.14 -0.04 7.28 6.49 2jovA1 PHE 37 HE2 -0.13 0.02 -0.12 -0.04 7.38 7.12 2jovA1 PHE 37 HZ -0.09 0.01 -0.06 -0.04 7.32 7.14 2jovA1 SER 38 H -0.06 0.42 -0.33 -0.55 8.46 7.95 2jovA1 SER 38 HA 0.01 -0.01 0.41 -0.75 4.49 4.15 2jovA1 SER 38 HB2 -0.37 0.13 0.17 -0.04 3.95 3.83 2jovA1 SER 38 HB3 -0.30 -0.03 0.06 -0.04 3.93 3.62 2jovA1 ASN 39 H -0.07 0.51 -0.28 -0.55 8.53 8.15 2jovA1 ASN 39 HA -0.05 0.04 0.46 -0.75 4.76 4.46 2jovA1 ASN 39 HB2 -0.03 0.23 0.17 -0.04 2.88 3.22 2jovA1 ASN 39 HB3 -0.02 -0.04 0.01 -0.04 2.79 2.69 2jovA1 ASN 39 HD21 -0.03 -0.03 -0.04 -0.04 7.03 6.89 2jovA1 ASN 39 HD22 -0.02 -0.07 -0.12 -0.04 7.74 7.49 2jovA1 VAL 40 H -0.00 0.36 -0.26 -0.55 8.24 7.79 2jovA1 VAL 40 HA -0.01 0.05 0.44 -0.75 4.13 3.86 2jovA1 VAL 40 HB -0.02 0.15 0.16 -0.04 2.12 2.37 2jovA1 VAL 40 HG13 -0.03 -0.03 -0.08 -0.04 0.97 0.79 2jovA1 VAL 40 HG23 0.04 0.07 0.04 -0.04 0.95 1.06 2jovA1 LEU 41 H -0.02 0.53 -0.12 -0.55 8.37 8.22 2jovA1 LEU 41 HA -0.05 -0.01 0.39 -0.75 4.35 3.93 2jovA1 LEU 41 HB2 -0.02 0.15 0.10 -0.04 1.64 1.83 2jovA1 LEU 41 HB3 -0.04 -0.06 0.08 -0.04 1.64 1.58 2jovA1 LEU 41 HG 0.04 0.27 -0.01 -0.04 1.64 1.90 2jovA1 LEU 41 HD13 0.21 -0.03 -0.20 -0.04 0.93 0.87 2jovA1 LEU 41 HD23 -0.01 -0.03 -0.08 -0.04 0.89 0.73 2jovA1 SER 42 H -0.05 0.29 -0.64 -0.55 8.46 7.52 2jovA1 SER 42 HA -0.10 0.04 0.50 -0.75 4.49 4.17 2jovA1 SER 42 HB2 -0.04 0.20 0.13 -0.04 3.95 4.21 2jovA1 SER 42 HB3 -0.04 -0.08 0.13 -0.04 3.93 3.90 2jovA1 ARG 43 H -0.04 0.40 -0.40 -0.55 8.46 7.87 2jovA1 ARG 43 HA 0.02 0.16 0.87 -0.75 4.34 4.63 2jovA1 ARG 43 HB2 0.03 -0.07 0.15 -0.04 1.90 1.97 2jovA1 ARG 43 HB3 0.00 -0.01 0.03 -0.04 1.80 1.79 2jovA1 ARG 43 HG2 -0.01 0.28 0.12 -0.04 1.67 2.02 2jovA1 ARG 43 HG3 0.01 -0.05 -0.28 -0.04 1.67 1.30 2jovA1 ARG 43 HD2 0.01 -0.03 0.02 -0.04 3.22 3.18 2jovA1 ARG 43 HD3 0.00 -0.02 0.01 -0.04 3.22 3.17 2jovA1 LEU 44 H -0.10 0.29 -0.34 -0.55 8.37 7.68 2jovA1 LEU 44 HA 0.04 0.10 0.73 -0.75 4.35 4.46 2jovA1 LEU 44 HB2 -0.03 0.13 -0.04 -0.04 1.64 1.66 2jovA1 LEU 44 HB3 -0.06 -0.03 0.13 -0.04 1.64 1.64 2jovA1 LEU 44 HG 0.00 0.02 -0.03 -0.04 1.64 1.59 2jovA1 LEU 44 HD13 -0.03 -0.02 -0.12 -0.04 0.93 0.71 2jovA1 LEU 44 HD23 -0.01 -0.01 -0.32 -0.04 0.89 0.50 2jovA1 TYR 45 H 0.15 0.17 0.13 -0.55 8.29 8.18 2jovA1 TYR 45 HA -0.00 0.37 1.02 -0.75 4.56 5.19 2jovA1 TYR 45 HB2 -0.00 -0.03 0.11 -0.04 3.06 3.10 2jovA1 TYR 45 HB3 0.00 -0.03 -0.06 -0.04 2.98 2.86 2jovA1 TYR 45 HD2 0.00 0.00 -0.24 -0.04 7.15 6.87 2jovA1 TYR 45 HE2 0.00 0.00 -0.12 -0.04 6.85 6.69 2jovA1 VAL 46 H 0.02 0.63 0.23 -0.55 8.24 8.57 2jovA1 VAL 46 HA 0.04 0.06 0.71 -0.75 4.13 4.18 2jovA1 VAL 46 HB 0.01 0.03 0.07 -0.04 2.12 2.19 2jovA1 VAL 46 HG13 0.01 -0.06 -0.05 -0.04 0.97 0.83 2jovA1 VAL 46 HG23 -0.01 0.02 -0.05 -0.04 0.95 0.86 2jovA1 GLY 47 H 0.03 0.16 0.13 -0.55 8.43 8.21 2jovA1 GLY 47 HA2 0.05 0.30 0.80 -0.51 4.01 4.66 2jovA1 GLY 47 HA3 0.03 0.04 0.36 -0.51 4.01 3.93 2jovA1 VAL 48 H 0.02 0.10 -0.35 -0.55 8.24 7.47 2jovA1 VAL 48 HA 0.01 0.27 0.89 -0.75 4.13 4.55 2jovA1 VAL 48 HB 0.01 -0.06 0.04 -0.04 2.12 2.07 2jovA1 VAL 48 HG13 0.00 0.00 -0.21 -0.04 0.97 0.72 2jovA1 VAL 48 HG23 0.01 -0.01 -0.16 -0.04 0.95 0.74 2jovA1 PRO 49 HA 0.02 0.05 0.63 -0.51 4.44 4.62 2jovA1 PRO 49 HB2 0.02 -0.01 0.16 -0.04 2.28 2.40 2jovA1 PRO 49 HB3 0.04 0.02 -0.11 -0.04 2.02 1.93 2jovA1 PRO 49 HG2 0.02 -0.01 0.02 -0.04 2.03 2.03 2jovA1 PRO 49 HG3 0.03 0.06 -0.19 -0.04 2.03 1.89 2jovA1 PRO 49 HD2 0.01 0.07 0.16 -0.04 3.68 3.88 2jovA1 PRO 49 HD3 0.02 0.27 -0.08 -0.04 3.65 3.82 2jovA1 THR 50 H -0.00 0.20 0.17 -0.55 8.28 8.10 2jovA1 THR 50 HA 0.00 0.19 0.87 -0.75 4.39 4.70 2jovA1 THR 50 HB -0.01 0.17 0.02 -0.04 4.32 4.47 2jovA1 THR 50 HG23 -0.00 -0.02 -0.05 -0.04 1.22 1.11 2jovA1 LYS 51 H -0.00 0.09 0.08 -0.55 8.42 8.03 2jovA1 LYS 51 HA -0.01 0.09 0.65 -0.75 4.32 4.29 2jovA1 LYS 51 HB2 -0.00 -0.07 0.12 -0.04 1.87 1.88 2jovA1 LYS 51 HB3 -0.00 0.00 0.05 -0.04 1.79 1.80 2jovA1 LYS 51 HG2 -0.00 -0.08 -0.03 -0.04 1.46 1.31 2jovA1 LYS 51 HG3 -0.00 0.23 -0.34 -0.04 1.46 1.31 2jovA1 LYS 51 HD2 -0.00 -0.00 -0.01 -0.04 1.69 1.63 2jovA1 LYS 51 HD3 -0.00 -0.03 -0.01 -0.04 1.68 1.60 2jovA1 LYS 51 HE2 -0.00 -0.03 -0.02 -0.04 2.99 2.89 2jovA1 LYS 51 HE3 -0.00 -0.04 -0.05 -0.04 2.99 2.86 2jovA1 SER 52 H -0.01 0.06 0.02 -0.55 8.46 7.99 2jovA1 SER 52 HA -0.02 0.14 0.30 -0.75 4.49 4.16 2jovA1 SER 52 HB2 -0.01 -0.01 0.01 -0.04 3.95 3.90 2jovA1 SER 52 HB3 -0.02 0.26 -0.06 -0.04 3.93 4.07 2jovA1 GLY 53 H -0.01 0.53 0.34 -0.55 8.43 8.75 2jovA1 GLY 53 HA2 0.00 -0.04 0.19 -0.51 4.01 3.65 2jovA1 GLY 53 HA3 -0.00 0.10 0.57 -0.51 4.01 4.17 2jovA1 ASN 54 H -0.01 0.41 0.13 -0.55 8.53 8.51 2jovA1 ASN 54 HA -0.00 0.14 0.82 -0.75 4.76 4.97 2jovA1 ASN 54 HB2 -0.00 0.01 -0.02 -0.04 2.88 2.82 2jovA1 ASN 54 HB3 -0.01 0.10 -0.05 -0.04 2.79 2.79 2jovA1 ASN 54 HD21 -0.01 -0.02 -0.02 -0.04 7.03 6.94 2jovA1 ASN 54 HD22 -0.01 0.06 -0.34 -0.04 7.74 7.41 2jovA1 VAL 55 H -0.01 0.19 0.11 -0.55 8.24 7.98 2jovA1 VAL 55 HA -0.01 0.17 0.57 -0.75 4.13 4.11 2jovA1 VAL 55 HB -0.01 0.03 0.07 -0.04 2.12 2.16 2jovA1 VAL 55 HG13 -0.02 -0.03 -0.32 -0.04 0.97 0.55 2jovA1 VAL 55 HG23 -0.01 0.01 -0.09 -0.04 0.95 0.83 2jovA1 VAL 56 H -0.01 0.66 0.38 -0.55 8.24 8.72 2jovA1 VAL 56 HA -0.01 0.13 0.68 -0.75 4.13 4.18 2jovA1 VAL 56 HB -0.02 -0.09 0.16 -0.04 2.12 2.12 2jovA1 VAL 56 HG13 -0.02 -0.00 -0.11 -0.04 0.97 0.80 2jovA1 VAL 56 HG23 -0.00 0.02 -0.01 -0.04 0.95 0.91 2jovA1 CYS 57 H -0.05 0.18 0.15 -0.55 8.50 8.23 2jovA1 CYS 57 HA -0.05 0.23 0.88 -0.75 4.58 4.89 2jovA1 CYS 57 HB2 -0.11 -0.08 0.06 -0.04 2.97 2.80 2jovA1 CYS 57 HB3 -0.09 0.05 -0.08 -0.04 2.97 2.81 2jovA1 LYS 58 H -0.05 0.25 0.05 -0.55 8.42 8.12 2jovA1 LYS 58 HA -0.06 0.08 0.95 -0.75 4.32 4.54 2jovA1 LYS 58 HB2 -0.03 0.02 0.01 -0.04 1.87 1.83 2jovA1 LYS 58 HB3 -0.03 0.05 0.06 -0.04 1.79 1.82 2jovA1 LYS 58 HG2 -0.03 0.01 -0.19 -0.04 1.46 1.21 2jovA1 LYS 58 HG3 -0.03 -0.04 -0.05 -0.04 1.46 1.29 2jovA1 LYS 58 HD2 -0.02 0.01 -0.04 -0.04 1.69 1.60 2jovA1 LYS 58 HD3 -0.02 0.02 -0.06 -0.04 1.68 1.58 2jovA1 LYS 58 HE2 -0.02 0.01 -0.07 -0.04 2.99 2.87 2jovA1 LYS 58 HE3 -0.01 -0.02 -0.07 -0.04 2.99 2.84 2jovA1 ASN 59 H -0.08 0.62 0.21 -0.55 8.53 8.73 2jovA1 ASN 59 HA -0.07 -0.36 0.46 -0.75 4.76 4.04 2jovA1 ASN 59 HB2 -0.04 0.33 0.06 -0.04 2.88 3.19 2jovA1 ASN 59 HB3 -0.04 -0.09 0.23 -0.04 2.79 2.86 2jovA1 ASN 59 HD21 -0.02 0.02 -0.04 -0.04 7.03 6.95 2jovA1 ASN 59 HD22 -0.01 0.08 -0.05 -0.04 7.74 7.71 2jovA1 ILE 60 H -0.22 0.23 -0.00 -0.55 8.25 7.70 2jovA1 ILE 60 HA -0.17 0.11 0.32 -0.75 4.18 3.69 2jovA1 ILE 60 HB -0.35 0.08 -0.02 -0.04 1.89 1.55 2jovA1 ILE 60 HG12 -0.43 0.03 -0.27 -0.04 1.49 0.78 2jovA1 ILE 60 HG13 -0.23 0.01 -0.02 -0.04 1.21 0.93 2jovA1 ILE 60 HG23 -1.06 -0.00 -0.03 -0.04 0.93 -0.21 2jovA1 ILE 60 HD13 -0.51 0.01 -0.05 -0.04 0.88 0.29 2jovA1 MET 61 H -0.08 0.20 0.17 -0.55 8.47 8.21 2jovA1 MET 61 HA 0.01 0.05 0.28 -0.75 4.52 4.11 2jovA1 MET 61 HB2 0.24 0.19 -0.00 -0.04 2.15 2.53 2jovA1 MET 61 HB3 0.10 0.03 0.14 -0.04 2.03 2.26 2jovA1 MET 61 HG2 0.07 -0.10 -0.26 -0.04 2.63 2.30 2jovA1 MET 61 HG3 0.26 -0.00 -0.14 -0.04 2.56 2.64 2jovA1 MET 61 HE3 0.03 0.01 -0.00 -0.04 2.10 2.10 2jovA1 ASN 62 H -0.04 0.31 -0.27 -0.55 8.53 7.98 2jovA1 ASN 62 HA -0.02 0.01 0.26 -0.75 4.76 4.26 2jovA1 ASN 62 HB2 -0.01 -0.02 -0.02 -0.04 2.88 2.78 2jovA1 ASN 62 HB3 0.00 0.14 0.14 -0.04 2.79 3.03 2jovA1 ASN 62 HD21 0.00 0.01 0.03 -0.04 7.03 7.03 2jovA1 ASN 62 HD22 -0.00 -0.02 -0.01 -0.04 7.74 7.67 2jovA1 THR 63 H -0.03 -0.14 -0.31 -0.55 8.28 7.25 2jovA1 THR 63 HA 0.03 0.30 0.85 -0.75 4.39 4.81 2jovA1 THR 63 HB 0.08 -0.02 -0.05 -0.04 4.32 4.29 2jovA1 THR 63 HG23 0.20 0.03 -0.16 -0.04 1.22 1.25 2jovA1 GLY 64 H -0.03 -0.15 0.15 -0.55 8.43 7.85 2jovA1 GLY 64 HA2 -0.02 0.03 0.31 -0.51 4.01 3.83 2jovA1 GLY 64 HA3 -0.00 0.29 0.87 -0.51 4.01 4.66 2jovA1 VAL 65 H -0.05 -0.10 0.10 -0.55 8.24 7.64 2jovA1 VAL 65 HA -0.01 0.26 0.82 -0.75 4.13 4.45 2jovA1 VAL 65 HB 0.02 0.06 -0.07 -0.04 2.12 2.09 2jovA1 VAL 65 HG13 -0.18 -0.01 -0.16 -0.04 0.97 0.58 2jovA1 VAL 65 HG23 0.04 0.03 0.06 -0.04 0.95 1.04 2jovA1 ASP 66 H -0.02 0.15 0.25 -0.55 8.40 8.23 2jovA1 ASP 66 HA -0.06 0.17 1.06 -0.75 4.63 5.04 2jovA1 ASP 66 HB2 -0.00 -0.04 0.12 -0.04 2.71 2.75 2jovA1 ASP 66 HB3 -0.02 0.07 -0.05 -0.04 2.70 2.67 2jovA1 ILE 67 H -0.07 0.39 0.21 -0.55 8.25 8.24 2jovA1 ILE 67 HA 0.04 0.28 1.06 -0.75 4.18 4.81 2jovA1 ILE 67 HB -0.07 -0.12 0.22 -0.04 1.89 1.89 2jovA1 ILE 67 HG12 -0.26 -0.04 -0.15 -0.04 1.49 0.99 2jovA1 ILE 67 HG13 -0.34 0.01 -0.06 -0.04 1.21 0.77 2jovA1 ILE 67 HG23 0.12 0.02 -0.20 -0.04 0.93 0.83 2jovA1 ILE 67 HD13 -0.19 0.04 -0.17 -0.04 0.88 0.51 2jovA1 ILE 68 H 0.05 0.87 0.32 -0.55 8.25 8.95 2jovA1 ILE 68 HA 0.01 0.39 1.06 -0.75 4.18 4.88 2jovA1 ILE 68 HB 0.01 -0.03 -0.31 -0.04 1.89 1.51 2jovA1 ILE 68 HG12 0.03 0.03 -0.13 -0.04 1.49 1.39 2jovA1 ILE 68 HG13 0.02 -0.06 -0.15 -0.04 1.21 0.99 2jovA1 ILE 68 HG23 0.00 -0.03 -0.51 -0.04 0.93 0.35 2jovA1 ILE 68 HD13 0.02 0.00 -0.17 -0.04 0.88 0.69 2jovA1 CYS 69 H -0.00 0.57 0.31 -0.55 8.50 8.84 2jovA1 CYS 69 HA -0.01 0.13 0.94 -0.75 4.58 4.89 2jovA1 CYS 69 HB2 -0.02 0.09 0.09 -0.04 2.97 3.09 2jovA1 CYS 69 HB3 -0.03 0.02 0.03 -0.04 2.97 2.95 2jovA1 THR 70 H -0.02 0.51 0.33 -0.55 8.28 8.54 2jovA1 THR 70 HA -0.01 -0.08 0.95 -0.75 4.39 4.48 2jovA1 THR 70 HB -0.00 0.01 -0.04 -0.04 4.32 4.25 2jovA1 THR 70 HG23 -0.02 0.04 -0.06 -0.04 1.22 1.14 2jovA1 LYS 71 H -0.05 0.07 -0.01 -0.55 8.42 7.88 2jovA1 LYS 71 HA -0.07 0.15 0.88 -0.75 4.32 4.51 2jovA1 LYS 71 HB2 -0.12 -0.00 0.10 -0.04 1.87 1.81 2jovA1 LYS 71 HB3 -0.14 -0.03 0.09 -0.04 1.79 1.67 2jovA1 LYS 71 HG2 -0.42 0.00 0.02 -0.04 1.46 1.02 2jovA1 LYS 71 HG3 -0.32 0.13 -0.29 -0.04 1.46 0.95 2jovA1 LYS 71 HD2 -0.12 -0.13 0.18 -0.04 1.69 1.58 2jovA1 LYS 71 HD3 -0.15 -0.02 0.07 -0.04 1.68 1.54 2jovA1 LYS 71 HE2 -0.52 -0.03 0.05 -0.04 2.99 2.44 2jovA1 LYS 71 HE3 -0.28 0.24 0.09 -0.04 2.99 3.00 2jovA1 ASN 72 H -0.08 0.12 0.11 -0.55 8.53 8.15 2jovA1 ASN 72 HA -0.03 0.31 0.79 -0.75 4.76 5.07 2jovA1 ASN 72 HB2 -0.01 -0.02 0.11 -0.04 2.88 2.93 2jovA1 ASN 72 HB3 -0.00 0.04 -0.03 -0.04 2.79 2.75 2jovA1 ASN 72 HD21 -0.01 0.01 0.02 -0.04 7.03 7.01 2jovA1 ASN 72 HD22 0.00 0.02 0.02 -0.04 7.74 7.74 2jovA1 LEU 73 H -0.02 0.76 0.20 -0.55 8.37 8.76 2jovA1 LEU 73 HA 0.03 0.21 0.79 -0.75 4.35 4.62 2jovA1 LEU 73 HB2 0.01 -0.23 0.22 -0.04 1.64 1.59 2jovA1 LEU 73 HB3 0.05 0.07 -0.07 -0.04 1.64 1.64 2jovA1 LEU 73 HG -0.00 0.02 -0.13 -0.04 1.64 1.49 2jovA1 LEU 73 HD13 -0.13 0.02 -0.22 -0.04 0.93 0.56 2jovA1 LEU 73 HD23 -0.05 -0.04 -0.09 -0.04 0.89 0.67 2jovA1 PRO 74 HA 0.04 0.07 0.52 -0.51 4.44 4.57 2jovA1 PRO 74 HB2 0.06 -0.01 -0.05 -0.04 2.28 2.24 2jovA1 PRO 74 HB3 0.06 0.01 -0.05 -0.04 2.02 1.99 2jovA1 PRO 74 HG2 0.16 -0.01 0.06 -0.04 2.03 2.20 2jovA1 PRO 74 HG3 0.14 0.04 -0.01 -0.04 2.03 2.16 2jovA1 PRO 74 HD2 0.30 0.18 0.19 -0.04 3.68 4.30 2jovA1 PRO 74 HD3 0.19 0.41 0.35 -0.04 3.65 4.56 2jovA1 LYS 75 H 0.03 0.26 0.07 -0.55 8.42 8.23 2jovA1 LYS 75 HA 0.04 0.03 0.53 -0.75 4.32 4.17 2jovA1 LYS 75 HB2 0.02 0.04 0.09 -0.04 1.87 1.99 2jovA1 LYS 75 HB3 0.02 -0.10 0.18 -0.04 1.79 1.85 2jovA1 LYS 75 HG2 0.01 -0.04 -0.21 -0.04 1.46 1.19 2jovA1 LYS 75 HG3 0.02 0.19 0.07 -0.04 1.46 1.69 2jovA1 LYS 75 HD2 0.01 0.02 0.02 -0.04 1.69 1.71 2jovA1 LYS 75 HD3 0.01 -0.04 0.02 -0.04 1.68 1.62 2jovA1 LYS 75 HE2 0.01 0.01 0.02 -0.04 2.99 2.98 2jovA1 LYS 75 HE3 0.00 -0.03 0.01 -0.04 2.99 2.94 2jovA1 ASP 76 H 0.01 0.11 0.02 -0.55 8.40 7.99 2jovA1 ASP 76 HA 0.01 0.19 0.87 -0.75 4.63 4.94 2jovA1 ASP 76 HB2 0.00 -0.02 0.14 -0.04 2.71 2.80 2jovA1 ASP 76 HB3 -0.01 0.01 -0.05 -0.04 2.70 2.62 2jovA1 SER 77 H 0.01 0.24 -0.02 -0.55 8.46 8.13 2jovA1 SER 77 HA 0.01 0.12 0.52 -0.75 4.49 4.39 2jovA1 SER 77 HB2 0.01 0.00 0.18 -0.04 3.95 4.11 2jovA1 SER 77 HB3 0.02 -0.02 0.06 -0.04 3.93 3.95 2jovA1 LEU 78 H 0.00 0.44 -0.03 -0.55 8.37 8.23 2jovA1 LEU 78 HA -0.02 0.19 0.85 -0.75 4.35 4.61 2jovA1 LEU 78 HB2 -0.02 0.02 0.16 -0.04 1.64 1.76 2jovA1 LEU 78 HB3 -0.04 0.01 0.01 -0.04 1.64 1.59 2jovA1 LEU 78 HG -0.01 -0.06 -0.29 -0.04 1.64 1.24 2jovA1 LEU 78 HD13 -0.03 0.00 -0.03 -0.04 0.93 0.83 2jovA1 LEU 78 HD23 -0.03 0.03 -0.12 -0.04 0.89 0.72 2jovA1 GLU 79 H -0.02 0.32 -0.04 -0.55 8.60 8.32 2jovA1 GLU 79 HA 0.00 0.15 0.92 -0.75 4.29 4.61 2jovA1 GLU 79 HB2 0.01 0.03 -0.03 -0.04 2.09 2.06 2jovA1 GLU 79 HB3 -0.05 0.04 0.14 -0.04 1.99 2.09 2jovA1 GLU 79 HG2 -0.00 -0.03 -0.00 -0.04 2.34 2.26 2jovA1 GLU 79 HG3 0.02 0.05 -0.00 -0.04 2.34 2.37 2jovA1 HIS 80 H 0.06 0.21 0.03 -0.55 8.41 8.16 2jovA1 HIS 80 HA -0.15 0.34 0.85 -0.75 4.63 4.92 2jovA1 HIS 80 HB2 -0.05 -0.00 -0.08 -0.04 3.26 3.08 2jovA1 HIS 80 HB3 -0.03 -0.01 0.13 -0.04 3.20 3.25 2jovA1 HIS 80 HD2 -0.10 0.10 0.00 -0.04 6.97 6.93 2jovA1 HIS 80 HE1 -0.00 -0.02 -0.01 -0.04 7.75 7.67 2jovA1 HIS 81 H -0.09 0.07 -0.32 -0.55 8.41 7.52 2jovA1 HIS 81 HA -0.11 0.21 0.89 -0.75 4.63 4.87 2jovA1 HIS 81 HB2 -0.04 -0.00 0.01 -0.04 3.26 3.19 2jovA1 HIS 81 HB3 -0.04 -0.04 0.04 -0.04 3.20 3.12 2jovA1 HIS 81 HD2 -0.02 0.02 0.04 -0.04 6.97 6.97 2jovA1 HIS 81 HE1 0.02 -0.01 -0.05 -0.04 7.75 7.67 2jovA1 HIS 82 H -0.30 0.02 0.05 -0.55 8.41 7.63 2jovA1 HIS 82 HA -0.15 0.17 0.85 -0.75 4.63 4.74 2jovA1 HIS 82 HB2 -0.07 -0.05 -0.05 -0.04 3.26 3.06 2jovA1 HIS 82 HB3 -0.03 -0.01 -0.02 -0.04 3.20 3.10 2jovA1 HIS 82 HD2 0.05 -0.03 -0.01 -0.04 6.97 6.94 2jovA1 HIS 82 HE1 0.02 0.02 0.02 -0.04 7.75 7.77 2jovA1 HIS 83 H 0.13 0.08 0.03 -0.55 8.41 8.11 2jovA1 HIS 83 HA 0.05 0.18 0.71 -0.75 4.63 4.81 2jovA1 HIS 83 HB2 -0.00 0.02 0.10 -0.04 3.26 3.34 2jovA1 HIS 83 HB3 0.04 -0.13 0.23 -0.04 3.20 3.30 2jovA1 HIS 83 HD2 0.13 0.12 -0.00 -0.04 6.97 7.18 2jovA1 HIS 83 HE1 0.05 -0.02 -0.01 -0.04 7.75 7.73 2jovA1 HIS 84 H 0.31 0.19 0.09 -0.55 8.41 8.45 2jovA1 HIS 84 HA -0.02 -0.00 0.41 -0.75 4.63 4.26 2jovA1 HIS 84 HB2 0.03 0.30 -0.03 -0.04 3.26 3.52 2jovA1 HIS 84 HB3 0.17 -0.01 -0.17 -0.04 3.20 3.14 2jovA1 HIS 84 HD2 0.00 0.02 0.08 -0.04 6.97 7.02 2jovA1 HIS 84 HE1 0.05 0.01 -0.04 -0.04 7.75 7.72 2jovA1 HIS 85 H -0.45 0.13 0.04 -0.55 8.41 7.58 2jovA1 HIS 85 HA -0.13 0.20 0.62 -0.75 4.63 4.56 2jovA1 HIS 85 HB2 -0.21 0.02 0.10 -0.04 3.26 3.13 2jovA1 HIS 85 HB3 -0.13 0.04 0.08 -0.04 3.20 3.15 2jovA1 HIS 85 HD2 -0.05 0.05 -0.08 -0.04 6.97 6.84 2jovA1 HIS 85 HE1 -0.05 0.02 -0.02 -0.04 7.75 7.65