============================================================================= 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 -19.063 -5.289 9.281 -99.200 -91.000 PHE 6 1.000 -9.043 -1.494 -1.147 -99.200 -91.000 TYR 18 0.840 8.296 -6.969 2.267 -99.200 -91.000 TRP 34 1.040 -11.384 -5.696 -2.570 -99.200 -91.000 TRP6 34 1.020 -11.054 -7.199 -4.359 -99.200 -91.000 PHE 37 1.000 -12.057 2.602 -3.058 -99.200 -91.000 TYR 45 0.840 3.894 -1.382 -11.111 -99.200 -91.000 HIS 80 0.900 27.778 -5.657 11.900 -99.200 -91.000 HIS 81 0.900 22.544 -9.213 6.950 -99.200 -91.000 HIS 82 0.900 20.159 -5.615 13.446 -99.200 -91.000 HIS 83 0.900 18.929 -14.575 13.077 -99.200 -91.000 HIS 84 0.900 21.016 -12.997 20.895 -99.200 -91.000 HIS 85 0.900 14.182 -15.676 18.578 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2jovA12 MET 1 HA 0.03 -0.12 0.22 -0.75 4.52 3.89 2jovA12 MET 1 HB2 0.01 0.00 0.05 -0.04 2.15 2.18 2jovA12 MET 1 HB3 0.02 0.02 0.10 -0.04 2.03 2.13 2jovA12 MET 1 HG2 0.02 -0.01 -0.25 -0.04 2.63 2.34 2jovA12 MET 1 HG3 0.02 -0.07 -0.04 -0.04 2.56 2.43 2jovA12 MET 1 HE3 0.01 0.01 -0.00 -0.04 2.10 2.08 2jovA12 HIS 2 H 0.08 0.17 0.11 -0.55 8.41 8.23 2jovA12 HIS 2 HA 0.00 0.10 0.65 -0.75 4.63 4.63 2jovA12 HIS 2 HB2 -0.01 0.13 -0.18 -0.04 3.26 3.16 2jovA12 HIS 2 HB3 -0.01 -0.04 -0.04 -0.04 3.20 3.06 2jovA12 HIS 2 HD2 -0.00 0.04 0.06 -0.04 6.97 7.02 2jovA12 HIS 2 HE1 -0.00 -0.01 0.00 -0.04 7.75 7.70 2jovA12 LYS 3 H -0.45 0.17 0.12 -0.55 8.42 7.71 2jovA12 LYS 3 HA -0.04 -0.05 0.76 -0.75 4.32 4.24 2jovA12 LYS 3 HB2 -0.21 -0.01 0.17 -0.04 1.87 1.77 2jovA12 LYS 3 HB3 -0.07 0.18 -0.03 -0.04 1.79 1.83 2jovA12 LYS 3 HG2 -0.04 -0.14 0.06 -0.04 1.46 1.30 2jovA12 LYS 3 HG3 -0.10 -0.03 0.04 -0.04 1.46 1.33 2jovA12 LYS 3 HD2 -0.07 0.03 -0.02 -0.04 1.69 1.59 2jovA12 LYS 3 HD3 -0.04 0.05 -0.14 -0.04 1.68 1.51 2jovA12 LYS 3 HE2 -0.01 -0.10 -0.03 -0.04 2.99 2.81 2jovA12 LYS 3 HE3 -0.03 0.01 -0.02 -0.04 2.99 2.92 2jovA12 ASP 4 H 0.03 0.13 0.26 -0.55 8.40 8.27 2jovA12 ASP 4 HA 0.08 0.23 0.87 -0.75 4.63 5.06 2jovA12 ASP 4 HB2 0.06 0.00 -0.01 -0.04 2.71 2.72 2jovA12 ASP 4 HB3 0.05 -0.00 0.07 -0.04 2.70 2.78 2jovA12 ILE 5 H 0.04 0.18 0.10 -0.55 8.25 8.02 2jovA12 ILE 5 HA 0.04 0.03 0.61 -0.75 4.18 4.11 2jovA12 ILE 5 HB 0.02 -0.02 0.13 -0.04 1.89 1.98 2jovA12 ILE 5 HG12 0.03 -0.06 -0.02 -0.04 1.49 1.40 2jovA12 ILE 5 HG13 0.02 0.06 -0.03 -0.04 1.21 1.21 2jovA12 ILE 5 HG23 0.02 0.05 -0.12 -0.04 0.93 0.84 2jovA12 ILE 5 HD13 0.02 0.03 -0.35 -0.04 0.88 0.54 2jovA12 PHE 6 H 0.13 0.13 0.19 -0.55 8.34 8.24 2jovA12 PHE 6 HA 0.08 0.05 0.49 -0.75 4.62 4.50 2jovA12 PHE 6 HB2 -0.18 -0.00 0.06 -0.04 3.15 2.99 2jovA12 PHE 6 HB3 -0.19 -0.05 0.10 -0.04 3.06 2.88 2jovA12 PHE 6 HD2 0.02 -0.05 -0.19 -0.04 7.28 7.02 2jovA12 PHE 6 HE2 -0.39 0.06 -0.12 -0.04 7.38 6.89 2jovA12 PHE 6 HZ -0.23 0.02 -0.24 -0.04 7.32 6.83 2jovA12 THR 7 H -0.36 0.23 0.22 -0.55 8.28 7.82 2jovA12 THR 7 HA -0.28 0.20 0.66 -0.75 4.39 4.22 2jovA12 THR 7 HB -0.07 0.01 -0.03 -0.04 4.32 4.19 2jovA12 THR 7 HG23 -0.07 0.01 0.00 -0.04 1.22 1.12 2jovA12 SER 8 H -0.21 0.62 0.31 -0.55 8.46 8.63 2jovA12 SER 8 HA -0.04 0.14 0.64 -0.75 4.49 4.48 2jovA12 SER 8 HB2 -0.18 -0.03 -0.11 -0.04 3.95 3.59 2jovA12 SER 8 HB3 -0.03 0.02 0.08 -0.04 3.93 3.96 2jovA12 VAL 9 H -0.00 0.20 0.14 -0.55 8.24 8.03 2jovA12 VAL 9 HA -0.04 0.27 1.02 -0.75 4.13 4.62 2jovA12 VAL 9 HB -0.00 -0.01 0.10 -0.04 2.12 2.18 2jovA12 VAL 9 HG13 -0.02 0.00 -0.30 -0.04 0.97 0.61 2jovA12 VAL 9 HG23 -0.02 -0.01 -0.15 -0.04 0.95 0.72 2jovA12 VAL 10 H -0.04 0.68 0.30 -0.55 8.24 8.63 2jovA12 VAL 10 HA -0.06 0.20 0.93 -0.75 4.13 4.44 2jovA12 VAL 10 HB -0.13 0.10 0.13 -0.04 2.12 2.18 2jovA12 VAL 10 HG13 -0.04 -0.03 -0.22 -0.04 0.97 0.64 2jovA12 VAL 10 HG23 -0.06 0.04 -0.10 -0.04 0.95 0.79 2jovA12 ARG 11 H -0.18 0.17 0.17 -0.55 8.46 8.07 2jovA12 ARG 11 HA -0.04 0.15 0.68 -0.75 4.34 4.39 2jovA12 ARG 11 HB2 -0.38 -0.00 0.20 -0.04 1.90 1.68 2jovA12 ARG 11 HB3 -0.37 0.02 -0.03 -0.04 1.80 1.38 2jovA12 ARG 11 HG2 -0.01 -0.04 0.06 -0.04 1.67 1.64 2jovA12 ARG 11 HG3 0.05 -0.02 0.04 -0.04 1.67 1.70 2jovA12 ARG 11 HD2 0.25 -0.03 -0.00 -0.04 3.22 3.40 2jovA12 ARG 11 HD3 0.08 0.23 0.19 -0.04 3.22 3.69 2jovA12 VAL 12 H 0.04 0.33 0.06 -0.55 8.24 8.12 2jovA12 VAL 12 HA 0.04 0.39 0.91 -0.75 4.13 4.72 2jovA12 VAL 12 HB 0.02 -0.08 -0.29 -0.04 2.12 1.72 2jovA12 VAL 12 HG13 0.09 0.02 -0.57 -0.04 0.97 0.47 2jovA12 VAL 12 HG23 0.06 0.01 -0.24 -0.04 0.95 0.73 2jovA12 ARG 13 H 0.13 0.75 0.16 -0.55 8.46 8.95 2jovA12 ARG 13 HA 0.13 0.14 0.75 -0.75 4.34 4.60 2jovA12 ARG 13 HB2 0.29 0.01 -0.11 -0.04 1.90 2.05 2jovA12 ARG 13 HB3 0.17 0.05 -0.19 -0.04 1.80 1.79 2jovA12 ARG 13 HG2 0.04 -0.04 -0.31 -0.04 1.67 1.32 2jovA12 ARG 13 HG3 -0.00 -0.05 -0.01 -0.04 1.67 1.57 2jovA12 ARG 13 HD2 -0.15 0.00 -0.05 -0.04 3.22 2.98 2jovA12 ARG 13 HD3 0.04 0.08 -0.08 -0.04 3.22 3.22 2jovA12 GLY 14 H 0.05 0.17 0.12 -0.55 8.43 8.22 2jovA12 GLY 14 HA2 0.03 0.00 0.29 -0.51 4.01 3.81 2jovA12 GLY 14 HA3 0.04 0.13 0.84 -0.51 4.01 4.52 2jovA12 SER 15 H 0.02 0.12 0.12 -0.55 8.46 8.17 2jovA12 SER 15 HA 0.02 0.15 0.75 -0.75 4.49 4.66 2jovA12 SER 15 HB2 0.01 -0.01 0.24 -0.04 3.95 4.15 2jovA12 SER 15 HB3 0.01 0.02 0.10 -0.04 3.93 4.01 2jovA12 LYS 16 H 0.03 0.40 0.25 -0.55 8.42 8.55 2jovA12 LYS 16 HA 0.02 0.07 0.56 -0.75 4.32 4.21 2jovA12 LYS 16 HB2 0.09 -0.15 0.07 -0.04 1.87 1.84 2jovA12 LYS 16 HB3 0.06 0.07 -0.16 -0.04 1.79 1.71 2jovA12 LYS 16 HG2 0.10 -0.02 -0.30 -0.04 1.46 1.19 2jovA12 LYS 16 HG3 0.06 -0.12 -0.75 -0.04 1.46 0.61 2jovA12 LYS 16 HD2 0.06 -0.02 -0.07 -0.04 1.69 1.62 2jovA12 LYS 16 HD3 0.10 -0.21 -0.20 -0.04 1.68 1.33 2jovA12 LYS 16 HE2 0.11 -0.07 -0.29 -0.04 2.99 2.69 2jovA12 LYS 16 HE3 0.08 -0.15 -0.64 -0.04 2.99 2.24 2jovA12 LYS 17 H -0.01 0.43 0.22 -0.55 8.42 8.51 2jovA12 LYS 17 HA -0.08 0.13 0.56 -0.75 4.32 4.18 2jovA12 LYS 17 HB2 -0.27 0.04 0.10 -0.04 1.87 1.70 2jovA12 LYS 17 HB3 -0.24 -0.02 0.14 -0.04 1.79 1.62 2jovA12 LYS 17 HG2 -0.06 0.08 -0.14 -0.04 1.46 1.30 2jovA12 LYS 17 HG3 -0.09 -0.02 -0.07 -0.04 1.46 1.23 2jovA12 LYS 17 HD2 -0.06 0.00 -0.02 -0.04 1.69 1.56 2jovA12 LYS 17 HD3 -0.05 0.07 -0.19 -0.04 1.68 1.47 2jovA12 LYS 17 HE2 -0.02 -0.08 -0.19 -0.04 2.99 2.65 2jovA12 LYS 17 HE3 -0.03 0.00 -0.12 -0.04 2.99 2.81 2jovA12 TYR 18 H 0.09 0.07 -0.24 -0.55 8.29 7.65 2jovA12 TYR 18 HA 0.01 0.16 0.98 -0.75 4.56 4.96 2jovA12 TYR 18 HB2 0.01 -0.04 -0.01 -0.04 3.06 2.99 2jovA12 TYR 18 HB3 0.01 0.16 0.03 -0.04 2.98 3.14 2jovA12 TYR 18 HD2 0.01 -0.06 0.06 -0.04 7.15 7.12 2jovA12 TYR 18 HE2 0.00 0.07 0.06 -0.04 6.85 6.94 2jovA12 ASN 19 H 0.16 0.14 0.20 -0.55 8.53 8.49 2jovA12 ASN 19 HA 0.09 0.29 0.90 -0.75 4.76 5.29 2jovA12 ASN 19 HB2 0.05 0.01 0.04 -0.04 2.88 2.94 2jovA12 ASN 19 HB3 0.06 -0.02 0.05 -0.04 2.79 2.84 2jovA12 ASN 19 HD21 0.03 -0.01 0.01 -0.04 7.03 7.03 2jovA12 ASN 19 HD22 0.04 -0.02 0.03 -0.04 7.74 7.75 2jovA12 VAL 20 H 0.15 0.06 0.10 -0.55 8.24 8.01 2jovA12 VAL 20 HA 0.02 0.25 0.88 -0.75 4.13 4.53 2jovA12 VAL 20 HB 0.00 0.01 -0.10 -0.04 2.12 2.00 2jovA12 VAL 20 HG13 0.03 -0.01 -0.26 -0.04 0.97 0.69 2jovA12 VAL 20 HG23 0.06 -0.03 -0.06 -0.04 0.95 0.88 2jovA12 VAL 21 H -0.03 0.78 0.21 -0.55 8.24 8.65 2jovA12 VAL 21 HA -0.16 0.21 0.88 -0.75 4.13 4.30 2jovA12 VAL 21 HB -0.05 0.03 -0.27 -0.04 2.12 1.79 2jovA12 VAL 21 HG13 -0.03 0.00 -0.21 -0.04 0.97 0.70 2jovA12 VAL 21 HG23 -0.08 -0.00 -0.22 -0.04 0.95 0.60 2jovA12 PRO 22 HA -0.06 0.25 0.78 -0.51 4.44 4.90 2jovA12 PRO 22 HB2 -0.07 -0.04 0.06 -0.04 2.28 2.19 2jovA12 PRO 22 HB3 -0.06 0.04 0.01 -0.04 2.02 1.97 2jovA12 PRO 22 HG2 -0.12 0.03 0.04 -0.04 2.03 1.95 2jovA12 PRO 22 HG3 -0.09 0.05 -0.01 -0.04 2.03 1.94 2jovA12 PRO 22 HD2 -0.18 0.04 0.19 -0.04 3.68 3.69 2jovA12 PRO 22 HD3 -0.20 0.22 0.11 -0.04 3.65 3.75 2jovA12 VAL 23 H -0.05 0.73 0.47 -0.55 8.24 8.84 2jovA12 VAL 23 HA -0.01 0.05 1.01 -0.75 4.13 4.42 2jovA12 VAL 23 HB 0.04 -0.01 -0.05 -0.04 2.12 2.06 2jovA12 VAL 23 HG13 -0.01 0.02 -0.15 -0.04 0.97 0.79 2jovA12 VAL 23 HG23 0.05 0.02 -0.10 -0.04 0.95 0.88 2jovA12 LYS 24 H 0.03 0.70 0.34 -0.55 8.42 8.93 2jovA12 LYS 24 HA 0.02 0.19 0.76 -0.75 4.32 4.53 2jovA12 LYS 24 HB2 0.00 0.04 0.18 -0.04 1.87 2.06 2jovA12 LYS 24 HB3 -0.03 -0.02 -0.13 -0.04 1.79 1.57 2jovA12 LYS 24 HG2 -0.00 0.00 -0.07 -0.04 1.46 1.35 2jovA12 LYS 24 HG3 0.01 -0.00 -0.32 -0.04 1.46 1.11 2jovA12 LYS 24 HD2 -0.02 -0.03 -0.10 -0.04 1.69 1.50 2jovA12 LYS 24 HD3 -0.00 -0.04 -0.13 -0.04 1.68 1.46 2jovA12 LYS 24 HE2 -0.00 0.02 -0.03 -0.04 2.99 2.94 2jovA12 LYS 24 HE3 -0.00 -0.05 -0.05 -0.04 2.99 2.85 2jovA12 SER 25 H 0.07 0.51 0.26 -0.55 8.46 8.76 2jovA12 SER 25 HA 0.04 0.14 0.98 -0.75 4.49 4.89 2jovA12 SER 25 HB2 0.04 -0.02 0.15 -0.04 3.95 4.08 2jovA12 SER 25 HB3 -0.01 -0.04 0.14 -0.04 3.93 3.98 2jovA12 ASN 26 H 0.01 0.30 0.21 -0.55 8.53 8.51 2jovA12 ASN 26 HA 0.01 0.21 0.82 -0.75 4.76 5.04 2jovA12 ASN 26 HB2 0.01 0.02 0.14 -0.04 2.88 3.02 2jovA12 ASN 26 HB3 0.01 0.03 0.07 -0.04 2.79 2.87 2jovA12 ASN 26 HD21 0.01 0.34 0.20 -0.04 7.03 7.54 2jovA12 ASN 26 HD22 0.01 -0.14 0.11 -0.04 7.74 7.68 2jovA12 LYS 27 H 0.01 -0.02 -0.17 -0.55 8.42 7.68 2jovA12 LYS 27 HA 0.00 0.28 0.89 -0.75 4.32 4.74 2jovA12 LYS 27 HB2 0.00 -0.01 -0.10 -0.04 1.87 1.72 2jovA12 LYS 27 HB3 -0.00 -0.15 0.04 -0.04 1.79 1.63 2jovA12 LYS 27 HG2 -0.00 0.12 -0.16 -0.04 1.46 1.38 2jovA12 LYS 27 HG3 0.00 0.04 0.04 -0.04 1.46 1.50 2jovA12 LYS 27 HD2 0.01 -0.07 -0.22 -0.04 1.69 1.37 2jovA12 LYS 27 HD3 0.00 0.02 -0.06 -0.04 1.68 1.61 2jovA12 LYS 27 HE2 0.00 0.01 -0.00 -0.04 2.99 2.96 2jovA12 LYS 27 HE3 0.01 -0.12 -0.01 -0.04 2.99 2.82 2jovA12 PRO 28 HA 0.01 -0.00 0.18 -0.51 4.44 4.12 2jovA12 PRO 28 HB2 -0.01 0.00 -0.04 -0.04 2.28 2.19 2jovA12 PRO 28 HB3 -0.00 0.08 -0.13 -0.04 2.02 1.93 2jovA12 PRO 28 HG2 0.00 0.04 0.04 -0.04 2.03 2.07 2jovA12 PRO 28 HG3 0.01 0.04 -0.01 -0.04 2.03 2.03 2jovA12 PRO 28 HD2 0.00 0.10 0.16 -0.04 3.68 3.90 2jovA12 PRO 28 HD3 0.01 0.22 0.17 -0.04 3.65 4.01 2jovA12 VAL 29 H 0.01 0.52 0.27 -0.55 8.24 8.49 2jovA12 VAL 29 HA -0.02 0.22 0.87 -0.75 4.13 4.45 2jovA12 VAL 29 HB -0.12 -0.10 0.16 -0.04 2.12 2.01 2jovA12 VAL 29 HG13 -0.21 0.05 -0.05 -0.04 0.97 0.72 2jovA12 VAL 29 HG23 -0.02 -0.04 -0.13 -0.04 0.95 0.73 2jovA12 GLU 30 H 0.04 0.16 0.16 -0.55 8.60 8.41 2jovA12 GLU 30 HA 0.02 0.19 0.93 -0.75 4.29 4.68 2jovA12 GLU 30 HB2 0.04 0.10 0.09 -0.04 2.09 2.28 2jovA12 GLU 30 HB3 0.08 -0.08 0.08 -0.04 1.99 2.03 2jovA12 GLU 30 HG2 0.01 0.08 0.05 -0.04 2.34 2.45 2jovA12 GLU 30 HG3 0.03 0.09 0.01 -0.04 2.34 2.43 2jovA12 ILE 31 H 0.05 0.24 0.16 -0.55 8.25 8.16 2jovA12 ILE 31 HA 0.18 0.11 0.23 -0.75 4.18 3.96 2jovA12 ILE 31 HB 0.03 0.04 0.10 -0.04 1.89 2.02 2jovA12 ILE 31 HG12 0.04 -0.04 0.07 -0.04 1.49 1.52 2jovA12 ILE 31 HG13 0.04 -0.00 -0.07 -0.04 1.21 1.14 2jovA12 ILE 31 HG23 0.05 0.02 0.10 -0.04 0.93 1.06 2jovA12 ILE 31 HD13 0.01 0.05 0.07 -0.04 0.88 0.97 2jovA12 SER 32 H 0.09 0.09 -0.17 -0.55 8.46 7.93 2jovA12 SER 32 HA 0.12 0.17 0.55 -0.75 4.49 4.57 2jovA12 SER 32 HB2 0.06 0.03 0.08 -0.04 3.95 4.09 2jovA12 SER 32 HB3 0.07 0.01 0.01 -0.04 3.93 3.97 2jovA12 LYS 33 H 0.18 0.26 -0.44 -0.55 8.42 7.87 2jovA12 LYS 33 HA 0.14 0.17 0.71 -0.75 4.32 4.59 2jovA12 LYS 33 HB2 0.29 0.16 0.09 -0.04 1.87 2.36 2jovA12 LYS 33 HB3 0.27 -0.03 0.14 -0.04 1.79 2.12 2jovA12 LYS 33 HG2 0.08 0.06 -0.04 -0.04 1.46 1.51 2jovA12 LYS 33 HG3 0.11 -0.09 -0.07 -0.04 1.46 1.37 2jovA12 LYS 33 HD2 0.07 0.04 -0.00 -0.04 1.69 1.76 2jovA12 LYS 33 HD3 0.16 -0.04 0.04 -0.04 1.68 1.80 2jovA12 LYS 33 HE2 0.12 -0.05 0.02 -0.04 2.99 3.04 2jovA12 LYS 33 HE3 -0.02 0.02 0.01 -0.04 2.99 2.96 2jovA12 TRP 34 H 0.39 0.35 -0.48 -0.55 7.97 7.69 2jovA12 TRP 34 HA 0.31 0.02 0.33 -0.75 4.62 4.53 2jovA12 TRP 34 HB2 0.17 0.00 0.16 -0.04 3.23 3.52 2jovA12 TRP 34 HB3 0.12 0.09 0.13 -0.04 3.23 3.53 2jovA12 TRP 34 HD1 0.13 -0.07 0.02 -0.04 7.22 7.26 2jovA12 TRP 34 HE1 -0.24 0.14 0.01 -0.04 10.20 10.07 2jovA12 TRP 34 HE3 0.08 -0.03 -0.16 -0.04 7.59 7.44 2jovA12 TRP 34 HZ2 -0.03 0.02 0.02 -0.04 7.44 7.41 2jovA12 TRP 34 HZ3 0.04 0.01 -0.04 -0.04 7.13 7.11 2jovA12 TRP 34 HH2 0.02 0.03 -0.01 -0.04 7.19 7.18 2jovA12 ILE 35 H 0.40 0.21 -0.30 -0.55 8.25 8.01 2jovA12 ILE 35 HA -0.08 0.09 0.33 -0.75 4.18 3.77 2jovA12 ILE 35 HB 0.13 0.02 0.06 -0.04 1.89 2.07 2jovA12 ILE 35 HG12 0.48 0.02 0.02 -0.04 1.49 1.97 2jovA12 ILE 35 HG13 0.44 -0.03 0.06 -0.04 1.21 1.63 2jovA12 ILE 35 HG23 0.07 0.01 -0.07 -0.04 0.93 0.90 2jovA12 ILE 35 HD13 0.16 0.02 0.03 -0.04 0.88 1.06 2jovA12 ASP 36 H 0.06 0.14 -0.30 -0.55 8.40 7.76 2jovA12 ASP 36 HA -0.08 0.08 0.31 -0.75 4.63 4.19 2jovA12 ASP 36 HB2 -0.04 -0.01 0.13 -0.04 2.71 2.74 2jovA12 ASP 36 HB3 -0.20 0.05 0.09 -0.04 2.70 2.60 2jovA12 PHE 37 H 0.04 0.53 -0.09 -0.55 8.34 8.27 2jovA12 PHE 37 HA -0.25 0.03 0.43 -0.75 4.62 4.08 2jovA12 PHE 37 HB2 -0.61 0.11 0.11 -0.04 3.15 2.72 2jovA12 PHE 37 HB3 -0.95 -0.02 -0.07 -0.04 3.06 1.98 2jovA12 PHE 37 HD2 -0.31 0.19 -0.06 -0.04 7.28 7.06 2jovA12 PHE 37 HE2 -0.14 -0.07 -0.01 -0.04 7.38 7.12 2jovA12 PHE 37 HZ -0.12 -0.02 -0.01 -0.04 7.32 7.13 2jovA12 SER 38 H -0.22 0.56 -0.21 -0.55 8.46 8.04 2jovA12 SER 38 HA -0.10 -0.00 0.34 -0.75 4.49 3.97 2jovA12 SER 38 HB2 -0.57 0.11 0.13 -0.04 3.95 3.59 2jovA12 SER 38 HB3 -0.47 -0.03 0.03 -0.04 3.93 3.43 2jovA12 ASN 39 H -0.15 0.46 -0.25 -0.55 8.53 8.04 2jovA12 ASN 39 HA -0.08 0.05 0.46 -0.75 4.76 4.43 2jovA12 ASN 39 HB2 -0.09 0.12 0.15 -0.04 2.88 3.02 2jovA12 ASN 39 HB3 -0.06 -0.02 0.01 -0.04 2.79 2.68 2jovA12 ASN 39 HD21 -0.04 -0.04 -0.05 -0.04 7.03 6.86 2jovA12 ASN 39 HD22 -0.02 -0.06 -0.05 -0.04 7.74 7.57 2jovA12 VAL 40 H -0.11 0.37 -0.23 -0.55 8.24 7.72 2jovA12 VAL 40 HA -0.07 0.07 0.50 -0.75 4.13 3.88 2jovA12 VAL 40 HB -0.11 0.10 0.15 -0.04 2.12 2.22 2jovA12 VAL 40 HG13 -0.07 -0.02 -0.08 -0.04 0.97 0.76 2jovA12 VAL 40 HG23 -0.17 0.07 0.04 -0.04 0.95 0.85 2jovA12 LEU 41 H -0.05 0.51 -0.14 -0.55 8.37 8.15 2jovA12 LEU 41 HA -0.02 0.01 0.42 -0.75 4.35 4.00 2jovA12 LEU 41 HB2 -0.03 0.14 0.16 -0.04 1.64 1.87 2jovA12 LEU 41 HB3 -0.02 -0.03 -0.01 -0.04 1.64 1.54 2jovA12 LEU 41 HG 0.06 0.18 -0.04 -0.04 1.64 1.80 2jovA12 LEU 41 HD13 0.26 -0.03 -0.15 -0.04 0.93 0.97 2jovA12 LEU 41 HD23 0.05 -0.02 -0.05 -0.04 0.89 0.83 2jovA12 SER 42 H -0.07 0.47 -0.24 -0.55 8.46 8.07 2jovA12 SER 42 HA -0.10 0.02 0.41 -0.75 4.49 4.06 2jovA12 SER 42 HB2 -0.07 0.05 0.14 -0.04 3.95 4.03 2jovA12 SER 42 HB3 -0.04 0.09 0.06 -0.04 3.93 4.00 2jovA12 ARG 43 H -0.04 0.23 -0.82 -0.55 8.46 7.28 2jovA12 ARG 43 HA 0.02 0.08 0.71 -0.75 4.34 4.40 2jovA12 ARG 43 HB2 -0.01 -0.03 0.07 -0.04 1.90 1.88 2jovA12 ARG 43 HB3 -0.02 0.21 0.15 -0.04 1.80 2.09 2jovA12 ARG 43 HG2 0.00 -0.01 -0.02 -0.04 1.67 1.60 2jovA12 ARG 43 HG3 0.01 -0.04 0.12 -0.04 1.67 1.71 2jovA12 ARG 43 HD2 -0.01 -0.03 0.02 -0.04 3.22 3.15 2jovA12 ARG 43 HD3 -0.02 0.01 0.02 -0.04 3.22 3.18 2jovA12 LEU 44 H -0.04 0.44 -0.29 -0.55 8.37 7.93 2jovA12 LEU 44 HA 0.05 0.09 0.88 -0.75 4.35 4.62 2jovA12 LEU 44 HB2 -0.02 0.02 0.15 -0.04 1.64 1.75 2jovA12 LEU 44 HB3 0.01 -0.06 -0.08 -0.04 1.64 1.46 2jovA12 LEU 44 HG -0.01 0.18 -0.14 -0.04 1.64 1.62 2jovA12 LEU 44 HD13 -0.01 -0.05 -0.11 -0.04 0.93 0.73 2jovA12 LEU 44 HD23 0.01 0.02 -0.07 -0.04 0.89 0.81 2jovA12 TYR 45 H 0.16 0.16 0.09 -0.55 8.29 8.15 2jovA12 TYR 45 HA 0.01 0.29 1.01 -0.75 4.56 5.12 2jovA12 TYR 45 HB2 0.00 -0.03 0.11 -0.04 3.06 3.11 2jovA12 TYR 45 HB3 0.01 -0.05 0.01 -0.04 2.98 2.91 2jovA12 TYR 45 HD2 0.01 -0.01 -0.23 -0.04 7.15 6.88 2jovA12 TYR 45 HE2 0.01 0.01 -0.11 -0.04 6.85 6.71 2jovA12 VAL 46 H -0.02 0.34 0.12 -0.55 8.24 8.13 2jovA12 VAL 46 HA 0.05 0.16 0.77 -0.75 4.13 4.36 2jovA12 VAL 46 HB 0.02 0.01 0.05 -0.04 2.12 2.16 2jovA12 VAL 46 HG13 0.01 0.01 -0.15 -0.04 0.97 0.80 2jovA12 VAL 46 HG23 -0.01 0.01 -0.14 -0.04 0.95 0.77 2jovA12 GLY 47 H 0.04 0.25 0.16 -0.55 8.43 8.33 2jovA12 GLY 47 HA2 0.04 -0.01 0.24 -0.51 4.01 3.78 2jovA12 GLY 47 HA3 0.06 0.43 0.53 -0.51 4.01 4.52 2jovA12 VAL 48 H 0.05 0.27 0.08 -0.55 8.24 8.08 2jovA12 VAL 48 HA 0.03 -0.00 0.37 -0.75 4.13 3.78 2jovA12 VAL 48 HB 0.03 0.25 0.35 -0.04 2.12 2.70 2jovA12 VAL 48 HG13 0.02 0.01 -0.08 -0.04 0.97 0.89 2jovA12 VAL 48 HG23 0.03 -0.03 -0.14 -0.04 0.95 0.76 2jovA12 PRO 49 HA 0.04 0.02 0.42 -0.51 4.44 4.42 2jovA12 PRO 49 HB2 0.02 -0.03 0.16 -0.04 2.28 2.39 2jovA12 PRO 49 HB3 0.03 0.15 0.12 -0.04 2.02 2.28 2jovA12 PRO 49 HG2 0.02 -0.01 0.08 -0.04 2.03 2.09 2jovA12 PRO 49 HG3 0.03 0.06 -0.03 -0.04 2.03 2.05 2jovA12 PRO 49 HD2 0.03 0.07 0.18 -0.04 3.68 3.92 2jovA12 PRO 49 HD3 0.03 0.09 0.07 -0.04 3.65 3.80 2jovA12 THR 50 H 0.03 0.06 0.35 -0.55 8.28 8.16 2jovA12 THR 50 HA 0.02 0.13 0.81 -0.75 4.39 4.59 2jovA12 THR 50 HB 0.01 -0.02 0.11 -0.04 4.32 4.38 2jovA12 THR 50 HG23 0.02 0.01 -0.12 -0.04 1.22 1.09 2jovA12 LYS 51 H 0.01 0.11 0.10 -0.55 8.42 8.09 2jovA12 LYS 51 HA 0.01 0.11 0.69 -0.75 4.32 4.38 2jovA12 LYS 51 HB2 0.01 -0.03 0.07 -0.04 1.87 1.88 2jovA12 LYS 51 HB3 0.01 -0.01 0.00 -0.04 1.79 1.76 2jovA12 LYS 51 HG2 0.01 -0.06 -0.08 -0.04 1.46 1.29 2jovA12 LYS 51 HG3 0.01 0.09 -0.64 -0.04 1.46 0.88 2jovA12 LYS 51 HD2 0.01 0.03 -0.12 -0.04 1.69 1.57 2jovA12 LYS 51 HD3 0.01 0.01 -0.06 -0.04 1.68 1.60 2jovA12 LYS 51 HE2 0.01 -0.01 -0.03 -0.04 2.99 2.92 2jovA12 LYS 51 HE3 0.01 -0.02 -0.03 -0.04 2.99 2.91 2jovA12 SER 52 H 0.01 0.08 0.02 -0.55 8.46 8.01 2jovA12 SER 52 HA -0.01 0.08 0.36 -0.75 4.49 4.17 2jovA12 SER 52 HB2 -0.00 -0.00 -0.00 -0.04 3.95 3.90 2jovA12 SER 52 HB3 -0.01 0.24 -0.00 -0.04 3.93 4.12 2jovA12 GLY 53 H -0.00 0.73 0.38 -0.55 8.43 8.99 2jovA12 GLY 53 HA2 0.00 -0.05 0.14 -0.51 4.01 3.60 2jovA12 GLY 53 HA3 0.00 0.15 0.77 -0.51 4.01 4.42 2jovA12 ASN 54 H 0.00 0.41 0.22 -0.55 8.53 8.61 2jovA12 ASN 54 HA 0.01 0.11 0.78 -0.75 4.76 4.90 2jovA12 ASN 54 HB2 0.01 0.04 0.04 -0.04 2.88 2.93 2jovA12 ASN 54 HB3 0.01 0.02 0.08 -0.04 2.79 2.85 2jovA12 ASN 54 HD21 0.00 -0.04 -0.02 -0.04 7.03 6.93 2jovA12 ASN 54 HD22 0.01 0.07 -0.31 -0.04 7.74 7.47 2jovA12 VAL 55 H 0.01 0.16 0.15 -0.55 8.24 8.01 2jovA12 VAL 55 HA 0.01 0.19 0.50 -0.75 4.13 4.08 2jovA12 VAL 55 HB 0.01 0.02 0.08 -0.04 2.12 2.19 2jovA12 VAL 55 HG13 0.01 -0.02 -0.31 -0.04 0.97 0.61 2jovA12 VAL 55 HG23 0.01 0.02 -0.09 -0.04 0.95 0.85 2jovA12 VAL 56 H 0.02 0.76 0.31 -0.55 8.24 8.78 2jovA12 VAL 56 HA 0.01 0.20 0.84 -0.75 4.13 4.43 2jovA12 VAL 56 HB 0.02 -0.16 0.18 -0.04 2.12 2.12 2jovA12 VAL 56 HG13 0.02 0.01 -0.11 -0.04 0.97 0.85 2jovA12 VAL 56 HG23 0.02 0.03 -0.06 -0.04 0.95 0.89 2jovA12 CYS 57 H 0.02 0.14 0.11 -0.55 8.50 8.22 2jovA12 CYS 57 HA 0.01 0.28 0.95 -0.75 4.58 5.06 2jovA12 CYS 57 HB2 0.02 -0.10 0.19 -0.04 2.97 3.04 2jovA12 CYS 57 HB3 0.00 0.06 0.01 -0.04 2.97 3.00 2jovA12 LYS 58 H 0.01 0.31 -0.02 -0.55 8.42 8.17 2jovA12 LYS 58 HA 0.01 -0.04 0.81 -0.75 4.32 4.36 2jovA12 LYS 58 HB2 0.01 0.03 0.01 -0.04 1.87 1.88 2jovA12 LYS 58 HB3 0.01 0.07 0.08 -0.04 1.79 1.90 2jovA12 LYS 58 HG2 0.01 0.02 -0.28 -0.04 1.46 1.16 2jovA12 LYS 58 HG3 0.01 -0.07 -0.06 -0.04 1.46 1.30 2jovA12 LYS 58 HD2 0.01 0.01 -0.04 -0.04 1.69 1.63 2jovA12 LYS 58 HD3 0.01 0.03 -0.06 -0.04 1.68 1.62 2jovA12 LYS 58 HE2 0.01 -0.00 -0.08 -0.04 2.99 2.87 2jovA12 LYS 58 HE3 0.01 -0.01 -0.06 -0.04 2.99 2.88 2jovA12 ASN 59 H 0.02 0.41 0.10 -0.55 8.53 8.51 2jovA12 ASN 59 HA 0.02 -0.26 0.29 -0.75 4.76 4.06 2jovA12 ASN 59 HB2 0.01 0.01 -0.23 -0.04 2.88 2.63 2jovA12 ASN 59 HB3 0.00 0.28 0.19 -0.04 2.79 3.22 2jovA12 ASN 59 HD21 0.01 0.03 -0.05 -0.04 7.03 6.97 2jovA12 ASN 59 HD22 0.00 0.13 -0.11 -0.04 7.74 7.73 2jovA12 ILE 60 H 0.03 0.26 -0.04 -0.55 8.25 7.95 2jovA12 ILE 60 HA -0.01 0.14 0.08 -0.75 4.18 3.64 2jovA12 ILE 60 HB 0.02 0.13 0.10 -0.04 1.89 2.10 2jovA12 ILE 60 HG12 -0.08 0.01 -0.31 -0.04 1.49 1.07 2jovA12 ILE 60 HG13 -0.03 0.05 -0.02 -0.04 1.21 1.17 2jovA12 ILE 60 HG23 0.11 -0.02 0.09 -0.04 0.93 1.07 2jovA12 ILE 60 HD13 0.01 -0.01 -0.04 -0.04 0.88 0.80 2jovA12 MET 61 H -0.00 -0.05 -0.12 -0.55 8.47 7.75 2jovA12 MET 61 HA -0.10 0.33 0.87 -0.75 4.52 4.87 2jovA12 MET 61 HB2 -0.22 -0.09 0.06 -0.04 2.15 1.85 2jovA12 MET 61 HB3 -0.23 0.07 0.15 -0.04 2.03 1.98 2jovA12 MET 61 HG2 -0.27 0.13 -0.09 -0.04 2.63 2.36 2jovA12 MET 61 HG3 -0.28 -0.09 -0.20 -0.04 2.56 1.94 2jovA12 MET 61 HE3 -0.39 0.01 -0.03 -0.04 2.10 1.65 2jovA12 ASN 62 H -0.02 0.52 -0.53 -0.55 8.53 7.96 2jovA12 ASN 62 HA -0.01 0.08 0.26 -0.75 4.76 4.33 2jovA12 ASN 62 HB2 -0.03 0.23 0.06 -0.04 2.88 3.10 2jovA12 ASN 62 HB3 -0.01 -0.02 0.18 -0.04 2.79 2.90 2jovA12 ASN 62 HD21 -0.01 -0.03 0.03 -0.04 7.03 6.97 2jovA12 ASN 62 HD22 -0.02 0.02 -0.01 -0.04 7.74 7.69 2jovA12 THR 63 H 0.02 -0.13 -0.38 -0.55 8.28 7.24 2jovA12 THR 63 HA 0.03 0.25 0.36 -0.75 4.39 4.28 2jovA12 THR 63 HB 0.11 0.08 0.02 -0.04 4.32 4.49 2jovA12 THR 63 HG23 0.12 0.02 -0.11 -0.04 1.22 1.21 2jovA12 GLY 64 H 0.02 -0.03 -0.16 -0.55 8.43 7.71 2jovA12 GLY 64 HA2 0.01 0.04 0.24 -0.51 4.01 3.79 2jovA12 GLY 64 HA3 0.01 0.26 0.69 -0.51 4.01 4.47 2jovA12 VAL 65 H 0.04 -0.09 -0.25 -0.55 8.24 7.38 2jovA12 VAL 65 HA 0.01 0.21 0.74 -0.75 4.13 4.33 2jovA12 VAL 65 HB 0.04 -0.12 0.05 -0.04 2.12 2.05 2jovA12 VAL 65 HG13 -0.04 -0.02 -0.21 -0.04 0.97 0.66 2jovA12 VAL 65 HG23 -0.02 0.04 -0.14 -0.04 0.95 0.80 2jovA12 ASP 66 H 0.01 0.25 0.14 -0.55 8.40 8.25 2jovA12 ASP 66 HA 0.02 0.04 0.93 -0.75 4.63 4.87 2jovA12 ASP 66 HB2 0.01 0.02 0.10 -0.04 2.71 2.80 2jovA12 ASP 66 HB3 0.01 0.05 0.00 -0.04 2.70 2.73 2jovA12 ILE 67 H 0.02 0.37 0.08 -0.55 8.25 8.17 2jovA12 ILE 67 HA 0.04 0.17 0.68 -0.75 4.18 4.31 2jovA12 ILE 67 HB 0.04 -0.16 0.22 -0.04 1.89 1.94 2jovA12 ILE 67 HG12 0.04 0.01 0.05 -0.04 1.49 1.54 2jovA12 ILE 67 HG13 0.05 0.02 0.02 -0.04 1.21 1.25 2jovA12 ILE 67 HG23 0.08 0.03 -0.15 -0.04 0.93 0.85 2jovA12 ILE 67 HD13 -0.04 -0.01 -0.14 -0.04 0.88 0.66 2jovA12 ILE 68 H 0.04 0.75 0.40 -0.55 8.25 8.89 2jovA12 ILE 68 HA 0.02 0.43 1.01 -0.75 4.18 4.88 2jovA12 ILE 68 HB 0.01 -0.06 -0.35 -0.04 1.89 1.44 2jovA12 ILE 68 HG12 0.02 -0.02 -0.11 -0.04 1.49 1.34 2jovA12 ILE 68 HG13 0.01 -0.06 -0.23 -0.04 1.21 0.89 2jovA12 ILE 68 HG23 0.01 0.00 -0.54 -0.04 0.93 0.37 2jovA12 ILE 68 HD13 0.01 0.01 -0.16 -0.04 0.88 0.69 2jovA12 CYS 69 H 0.01 0.63 0.30 -0.55 8.50 8.89 2jovA12 CYS 69 HA -0.01 0.06 1.01 -0.75 4.58 4.89 2jovA12 CYS 69 HB2 -0.01 0.09 0.11 -0.04 2.97 3.11 2jovA12 CYS 69 HB3 -0.03 0.05 0.02 -0.04 2.97 2.97 2jovA12 THR 70 H -0.03 0.47 0.26 -0.55 8.28 8.43 2jovA12 THR 70 HA -0.01 -0.05 0.79 -0.75 4.39 4.36 2jovA12 THR 70 HB -0.01 0.02 -0.06 -0.04 4.32 4.22 2jovA12 THR 70 HG23 -0.04 0.03 -0.11 -0.04 1.22 1.06 2jovA12 LYS 71 H -0.06 0.09 -0.18 -0.55 8.42 7.72 2jovA12 LYS 71 HA -0.08 0.12 0.80 -0.75 4.32 4.41 2jovA12 LYS 71 HB2 -0.18 0.00 0.08 -0.04 1.87 1.73 2jovA12 LYS 71 HB3 -0.15 -0.03 0.05 -0.04 1.79 1.62 2jovA12 LYS 71 HG2 -0.57 -0.01 -0.08 -0.04 1.46 0.76 2jovA12 LYS 71 HG3 -0.27 0.16 -0.39 -0.04 1.46 0.91 2jovA12 LYS 71 HD2 -0.38 -0.04 0.04 -0.04 1.69 1.26 2jovA12 LYS 71 HD3 -1.30 0.01 0.02 -0.04 1.68 0.37 2jovA12 LYS 71 HE2 -0.06 0.08 0.13 -0.04 2.99 3.10 2jovA12 LYS 71 HE3 -0.10 -0.00 0.12 -0.04 2.99 2.97 2jovA12 ASN 72 H -0.02 0.13 0.11 -0.55 8.53 8.20 2jovA12 ASN 72 HA 0.01 0.35 0.78 -0.75 4.76 5.15 2jovA12 ASN 72 HB2 0.05 -0.03 0.13 -0.04 2.88 2.98 2jovA12 ASN 72 HB3 0.04 0.05 -0.02 -0.04 2.79 2.82 2jovA12 ASN 72 HD21 0.02 -0.03 0.05 -0.04 7.03 7.02 2jovA12 ASN 72 HD22 0.03 0.05 0.01 -0.04 7.74 7.78 2jovA12 LEU 73 H 0.04 0.54 0.22 -0.55 8.37 8.63 2jovA12 LEU 73 HA 0.21 0.18 0.71 -0.75 4.35 4.69 2jovA12 LEU 73 HB2 0.05 -0.28 0.18 -0.04 1.64 1.55 2jovA12 LEU 73 HB3 0.09 0.00 -0.16 -0.04 1.64 1.53 2jovA12 LEU 73 HG 0.07 0.01 -0.21 -0.04 1.64 1.47 2jovA12 LEU 73 HD13 -0.00 -0.01 -0.22 -0.04 0.93 0.66 2jovA12 LEU 73 HD23 0.05 0.06 -0.37 -0.04 0.89 0.59 2jovA12 PRO 74 HA 0.04 0.10 0.62 -0.51 4.44 4.70 2jovA12 PRO 74 HB2 -0.01 0.04 -0.04 -0.04 2.28 2.23 2jovA12 PRO 74 HB3 0.04 0.04 0.03 -0.04 2.02 2.09 2jovA12 PRO 74 HG2 -0.07 -0.07 0.10 -0.04 2.03 1.95 2jovA12 PRO 74 HG3 0.06 0.08 0.06 -0.04 2.03 2.19 2jovA12 PRO 74 HD2 0.24 -0.08 0.25 -0.04 3.68 4.05 2jovA12 PRO 74 HD3 0.34 0.57 0.35 -0.04 3.65 4.87 2jovA12 LYS 75 H 0.02 0.20 0.19 -0.55 8.42 8.27 2jovA12 LYS 75 HA 0.01 0.13 0.90 -0.75 4.32 4.61 2jovA12 LYS 75 HB2 0.02 0.06 0.01 -0.04 1.87 1.92 2jovA12 LYS 75 HB3 0.01 -0.01 0.01 -0.04 1.79 1.77 2jovA12 LYS 75 HG2 0.01 0.03 -0.02 -0.04 1.46 1.43 2jovA12 LYS 75 HG3 0.01 0.11 0.08 -0.04 1.46 1.62 2jovA12 LYS 75 HD2 0.02 0.05 0.09 -0.04 1.69 1.81 2jovA12 LYS 75 HD3 0.01 -0.03 0.02 -0.04 1.68 1.64 2jovA12 LYS 75 HE2 0.01 -0.00 0.08 -0.04 2.99 3.04 2jovA12 LYS 75 HE3 0.01 -0.04 0.06 -0.04 2.99 2.98 2jovA12 ASP 76 H -0.00 0.15 0.04 -0.55 8.40 8.04 2jovA12 ASP 76 HA -0.03 0.02 0.34 -0.75 4.63 4.21 2jovA12 ASP 76 HB2 -0.00 0.01 0.14 -0.04 2.71 2.82 2jovA12 ASP 76 HB3 -0.00 -0.02 -0.05 -0.04 2.70 2.59 2jovA12 SER 77 H -0.05 0.20 0.14 -0.55 8.46 8.20 2jovA12 SER 77 HA -0.01 0.13 0.94 -0.75 4.49 4.80 2jovA12 SER 77 HB2 -0.01 -0.01 0.23 -0.04 3.95 4.12 2jovA12 SER 77 HB3 0.01 -0.02 0.07 -0.04 3.93 3.95 2jovA12 LEU 78 H -0.00 0.17 -0.03 -0.55 8.37 7.97 2jovA12 LEU 78 HA 0.02 -0.00 0.37 -0.75 4.35 3.99 2jovA12 LEU 78 HB2 0.02 0.02 -0.10 -0.04 1.64 1.55 2jovA12 LEU 78 HB3 0.03 0.21 0.01 -0.04 1.64 1.85 2jovA12 LEU 78 HG 0.13 -0.15 -0.20 -0.04 1.64 1.37 2jovA12 LEU 78 HD13 0.03 0.00 -0.05 -0.04 0.93 0.87 2jovA12 LEU 78 HD23 0.03 0.02 -0.03 -0.04 0.89 0.87 2jovA12 GLU 79 H 0.05 0.14 0.04 -0.55 8.60 8.28 2jovA12 GLU 79 HA 0.12 0.13 0.54 -0.75 4.29 4.32 2jovA12 GLU 79 HB2 0.07 -0.02 0.16 -0.04 2.09 2.26 2jovA12 GLU 79 HB3 0.12 0.06 0.20 -0.04 1.99 2.32 2jovA12 GLU 79 HG2 0.06 -0.06 -0.06 -0.04 2.34 2.24 2jovA12 GLU 79 HG3 0.07 0.02 0.02 -0.04 2.34 2.40 2jovA12 HIS 80 H 0.13 0.51 -0.41 -0.55 8.41 8.10 2jovA12 HIS 80 HA 0.11 0.18 0.89 -0.75 4.63 5.06 2jovA12 HIS 80 HB2 0.05 -0.06 -0.07 -0.04 3.26 3.15 2jovA12 HIS 80 HB3 0.06 -0.01 0.04 -0.04 3.20 3.25 2jovA12 HIS 80 HD2 0.05 -0.02 0.07 -0.04 6.97 7.03 2jovA12 HIS 80 HE1 0.05 -0.04 -0.01 -0.04 7.75 7.70 2jovA12 HIS 81 H 0.05 0.10 0.18 -0.55 8.41 8.19 2jovA12 HIS 81 HA -0.05 0.04 0.37 -0.75 4.63 4.23 2jovA12 HIS 81 HB2 -0.08 0.24 -0.17 -0.04 3.26 3.22 2jovA12 HIS 81 HB3 -0.07 -0.08 0.04 -0.04 3.20 3.05 2jovA12 HIS 81 HD2 0.00 -0.09 -0.46 -0.04 6.97 6.38 2jovA12 HIS 81 HE1 -0.03 -0.00 -0.05 -0.04 7.75 7.63 2jovA12 HIS 82 H -0.18 0.16 0.01 -0.55 8.41 7.86 2jovA12 HIS 82 HA 0.01 0.12 0.40 -0.75 4.63 4.40 2jovA12 HIS 82 HB2 0.04 -0.01 0.04 -0.04 3.26 3.29 2jovA12 HIS 82 HB3 0.03 0.14 0.04 -0.04 3.20 3.37 2jovA12 HIS 82 HD2 0.03 -0.01 0.06 -0.04 6.97 7.01 2jovA12 HIS 82 HE1 0.01 0.02 0.00 -0.04 7.75 7.74 2jovA12 HIS 83 H 0.16 0.25 0.02 -0.55 8.41 8.29 2jovA12 HIS 83 HA 0.06 0.18 0.96 -0.75 4.63 5.07 2jovA12 HIS 83 HB2 0.00 -0.01 -0.04 -0.04 3.26 3.17 2jovA12 HIS 83 HB3 0.02 0.02 0.15 -0.04 3.20 3.34 2jovA12 HIS 83 HD2 -0.01 0.00 -0.02 -0.04 6.97 6.90 2jovA12 HIS 83 HE1 0.04 0.14 -0.05 -0.04 7.75 7.84 2jovA12 HIS 84 H -0.02 0.25 -0.05 -0.55 8.41 8.05 2jovA12 HIS 84 HA 0.08 0.16 0.86 -0.75 4.63 4.98 2jovA12 HIS 84 HB2 0.05 0.04 -0.12 -0.04 3.26 3.18 2jovA12 HIS 84 HB3 0.03 0.01 0.10 -0.04 3.20 3.30 2jovA12 HIS 84 HD2 0.01 0.00 0.01 -0.04 6.97 6.95 2jovA12 HIS 84 HE1 -0.00 -0.00 -0.03 -0.04 7.75 7.67 2jovA12 HIS 85 H 0.06 0.23 -0.10 -0.55 8.41 8.06 2jovA12 HIS 85 HA -0.27 0.16 0.24 -0.75 4.63 4.01 2jovA12 HIS 85 HB2 -0.22 0.10 -0.23 -0.04 3.26 2.87 2jovA12 HIS 85 HB3 -0.14 -0.01 -0.02 -0.04 3.20 2.99 2jovA12 HIS 85 HD2 -0.03 -0.01 0.02 -0.04 6.97 6.91 2jovA12 HIS 85 HE1 -0.05 -0.00 0.02 -0.04 7.75 7.68