============================================================================= 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 -23.003 -2.896 1.926 -99.200 -91.000 PHE 6 1.000 -9.066 -1.820 -1.487 -99.200 -91.000 TYR 18 0.840 9.378 -5.777 1.647 -99.200 -91.000 TRP 34 1.040 -12.763 -5.532 -3.215 -99.200 -91.000 TRP6 34 1.020 -13.056 -7.277 -4.778 -99.200 -91.000 PHE 37 1.000 -11.709 2.513 -2.937 -99.200 -91.000 TYR 45 0.840 1.387 -1.771 -11.871 -99.200 -91.000 HIS 80 0.900 30.564 -1.024 -3.196 -99.200 -91.000 HIS 81 0.900 31.660 -6.760 1.713 -99.200 -91.000 HIS 82 0.900 32.680 -7.455 -6.796 -99.200 -91.000 HIS 83 0.900 28.792 -16.038 -4.409 -99.200 -91.000 HIS 84 0.900 35.547 -15.761 -0.306 -99.200 -91.000 HIS 85 0.900 38.168 -16.724 -4.894 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2jovA15 MET 1 HA 0.03 -0.08 0.21 -0.75 4.52 3.92 2jovA15 MET 1 HB2 0.02 0.05 0.04 -0.04 2.15 2.22 2jovA15 MET 1 HB3 0.05 -0.14 0.01 -0.04 2.03 1.91 2jovA15 MET 1 HG2 0.02 0.02 0.03 -0.04 2.63 2.66 2jovA15 MET 1 HG3 0.02 -0.02 0.05 -0.04 2.56 2.57 2jovA15 MET 1 HE3 0.00 0.00 0.02 -0.04 2.10 2.08 2jovA15 HIS 2 H 0.26 0.10 0.03 -0.55 8.41 8.26 2jovA15 HIS 2 HA -0.03 0.31 0.84 -0.75 4.63 5.00 2jovA15 HIS 2 HB2 -0.03 -0.02 0.19 -0.04 3.26 3.36 2jovA15 HIS 2 HB3 -0.02 0.09 -0.06 -0.04 3.20 3.16 2jovA15 HIS 2 HD2 -0.01 0.01 -0.07 -0.04 6.97 6.85 2jovA15 HIS 2 HE1 0.00 0.01 0.02 -0.04 7.75 7.74 2jovA15 LYS 3 H 0.07 0.12 -0.18 -0.55 8.42 7.88 2jovA15 LYS 3 HA -0.08 0.14 0.54 -0.75 4.32 4.16 2jovA15 LYS 3 HB2 0.02 0.01 0.07 -0.04 1.87 1.93 2jovA15 LYS 3 HB3 -0.01 -0.00 -0.19 -0.04 1.79 1.55 2jovA15 LYS 3 HG2 0.05 -0.11 -0.12 -0.04 1.46 1.23 2jovA15 LYS 3 HG3 0.03 0.04 -0.05 -0.04 1.46 1.43 2jovA15 LYS 3 HD2 -0.01 0.20 -0.34 -0.04 1.69 1.50 2jovA15 LYS 3 HD3 -0.04 -0.12 -0.40 -0.04 1.68 1.07 2jovA15 LYS 3 HE2 0.02 -0.07 -0.06 -0.04 2.99 2.84 2jovA15 LYS 3 HE3 0.02 0.02 -0.05 -0.04 2.99 2.94 2jovA15 ASP 4 H -0.08 0.73 0.26 -0.55 8.40 8.76 2jovA15 ASP 4 HA -0.03 0.19 0.94 -0.75 4.63 4.97 2jovA15 ASP 4 HB2 -0.08 -0.01 0.05 -0.04 2.71 2.63 2jovA15 ASP 4 HB3 -0.06 0.07 -0.03 -0.04 2.70 2.64 2jovA15 ILE 5 H -0.02 0.19 0.12 -0.55 8.25 7.99 2jovA15 ILE 5 HA 0.01 0.02 0.48 -0.75 4.18 3.93 2jovA15 ILE 5 HB -0.01 -0.00 0.12 -0.04 1.89 1.96 2jovA15 ILE 5 HG12 -0.01 -0.04 0.01 -0.04 1.49 1.42 2jovA15 ILE 5 HG13 -0.00 0.04 -0.02 -0.04 1.21 1.19 2jovA15 ILE 5 HG23 0.01 0.03 -0.22 -0.04 0.93 0.70 2jovA15 ILE 5 HD13 0.01 0.06 -0.28 -0.04 0.88 0.62 2jovA15 PHE 6 H 0.11 0.15 0.20 -0.55 8.34 8.24 2jovA15 PHE 6 HA 0.02 0.11 0.56 -0.75 4.62 4.55 2jovA15 PHE 6 HB2 -0.21 0.01 0.07 -0.04 3.15 2.98 2jovA15 PHE 6 HB3 -0.12 -0.05 0.15 -0.04 3.06 3.00 2jovA15 PHE 6 HD2 0.15 -0.03 -0.12 -0.04 7.28 7.24 2jovA15 PHE 6 HE2 -0.05 0.03 -0.15 -0.04 7.38 7.17 2jovA15 PHE 6 HZ -0.02 0.04 -0.24 -0.04 7.32 7.05 2jovA15 THR 7 H -0.20 0.32 0.24 -0.55 8.28 8.09 2jovA15 THR 7 HA -0.16 0.30 1.04 -0.75 4.39 4.81 2jovA15 THR 7 HB -0.05 -0.07 -0.02 -0.04 4.32 4.13 2jovA15 THR 7 HG23 -0.07 0.04 0.08 -0.04 1.22 1.22 2jovA15 SER 8 H -0.18 0.61 0.32 -0.55 8.46 8.67 2jovA15 SER 8 HA -0.12 0.14 0.70 -0.75 4.49 4.44 2jovA15 SER 8 HB2 -0.29 -0.01 -0.18 -0.04 3.95 3.43 2jovA15 SER 8 HB3 -0.12 0.01 0.03 -0.04 3.93 3.81 2jovA15 VAL 9 H -0.04 0.20 0.12 -0.55 8.24 7.97 2jovA15 VAL 9 HA -0.04 0.22 0.98 -0.75 4.13 4.54 2jovA15 VAL 9 HB -0.01 0.00 0.09 -0.04 2.12 2.16 2jovA15 VAL 9 HG13 -0.01 -0.00 -0.33 -0.04 0.97 0.58 2jovA15 VAL 9 HG23 -0.03 -0.01 -0.14 -0.04 0.95 0.74 2jovA15 VAL 10 H -0.01 0.67 0.27 -0.55 8.24 8.61 2jovA15 VAL 10 HA -0.00 0.18 0.83 -0.75 4.13 4.39 2jovA15 VAL 10 HB 0.01 -0.07 -0.08 -0.04 2.12 1.93 2jovA15 VAL 10 HG13 0.00 0.03 -0.09 -0.04 0.97 0.87 2jovA15 VAL 10 HG23 -0.05 0.05 0.01 -0.04 0.95 0.92 2jovA15 ARG 11 H 0.03 0.18 0.13 -0.55 8.46 8.25 2jovA15 ARG 11 HA 0.08 0.10 0.61 -0.75 4.34 4.38 2jovA15 ARG 11 HB2 0.18 -0.05 0.15 -0.04 1.90 2.14 2jovA15 ARG 11 HB3 0.39 0.01 0.19 -0.04 1.80 2.35 2jovA15 ARG 11 HG2 0.16 -0.07 -0.01 -0.04 1.67 1.72 2jovA15 ARG 11 HG3 0.14 0.11 -0.23 -0.04 1.67 1.65 2jovA15 ARG 11 HD2 0.08 0.21 0.13 -0.04 3.22 3.59 2jovA15 ARG 11 HD3 0.09 -0.10 0.03 -0.04 3.22 3.19 2jovA15 VAL 12 H 0.06 0.10 0.20 -0.55 8.24 8.06 2jovA15 VAL 12 HA 0.08 0.33 0.75 -0.75 4.13 4.53 2jovA15 VAL 12 HB 0.03 -0.05 -0.10 -0.04 2.12 1.95 2jovA15 VAL 12 HG13 0.08 -0.02 -0.53 -0.04 0.97 0.46 2jovA15 VAL 12 HG23 0.06 0.04 -0.16 -0.04 0.95 0.85 2jovA15 ARG 13 H 0.08 0.47 0.04 -0.55 8.46 8.49 2jovA15 ARG 13 HA 0.04 0.27 0.79 -0.75 4.34 4.69 2jovA15 ARG 13 HB2 0.07 0.02 -0.19 -0.04 1.90 1.75 2jovA15 ARG 13 HB3 0.01 -0.14 0.05 -0.04 1.80 1.68 2jovA15 ARG 13 HG2 -0.02 -0.00 -0.07 -0.04 1.67 1.54 2jovA15 ARG 13 HG3 0.07 0.08 -0.60 -0.04 1.67 1.17 2jovA15 ARG 13 HD2 -0.29 -0.00 -0.08 -0.04 3.22 2.80 2jovA15 ARG 13 HD3 -0.03 0.01 -0.11 -0.04 3.22 3.06 2jovA15 GLY 14 H 0.02 0.13 0.08 -0.55 8.43 8.11 2jovA15 GLY 14 HA2 0.02 0.02 0.30 -0.51 4.01 3.85 2jovA15 GLY 14 HA3 0.03 0.07 0.62 -0.51 4.01 4.22 2jovA15 SER 15 H 0.02 0.09 0.13 -0.55 8.46 8.16 2jovA15 SER 15 HA 0.02 0.10 0.53 -0.75 4.49 4.38 2jovA15 SER 15 HB2 0.01 0.06 0.11 -0.04 3.95 4.09 2jovA15 SER 15 HB3 0.01 -0.01 0.13 -0.04 3.93 4.02 2jovA15 LYS 16 H 0.02 0.43 0.33 -0.55 8.42 8.64 2jovA15 LYS 16 HA 0.02 0.15 0.36 -0.75 4.32 4.10 2jovA15 LYS 16 HB2 0.10 -0.25 0.09 -0.04 1.87 1.77 2jovA15 LYS 16 HB3 0.07 0.14 0.12 -0.04 1.79 2.08 2jovA15 LYS 16 HG2 0.11 -0.05 -0.34 -0.04 1.46 1.13 2jovA15 LYS 16 HG3 0.06 -0.07 -0.82 -0.04 1.46 0.59 2jovA15 LYS 16 HD2 0.05 0.08 -0.21 -0.04 1.69 1.57 2jovA15 LYS 16 HD3 0.10 -0.09 -0.43 -0.04 1.68 1.22 2jovA15 LYS 16 HE2 0.10 -0.18 -0.61 -0.04 2.99 2.27 2jovA15 LYS 16 HE3 0.06 -0.06 -0.77 -0.04 2.99 2.18 2jovA15 LYS 17 H -0.06 0.16 0.16 -0.55 8.42 8.13 2jovA15 LYS 17 HA -0.08 0.14 0.60 -0.75 4.32 4.24 2jovA15 LYS 17 HB2 -0.15 -0.00 0.09 -0.04 1.87 1.76 2jovA15 LYS 17 HB3 -0.43 -0.01 0.10 -0.04 1.79 1.41 2jovA15 LYS 17 HG2 -0.21 -0.03 0.01 -0.04 1.46 1.19 2jovA15 LYS 17 HG3 -0.23 0.00 -0.04 -0.04 1.46 1.16 2jovA15 LYS 17 HD2 -0.08 0.07 0.12 -0.04 1.69 1.76 2jovA15 LYS 17 HD3 -0.08 -0.02 0.02 -0.04 1.68 1.56 2jovA15 LYS 17 HE2 -0.05 -0.00 0.02 -0.04 2.99 2.92 2jovA15 LYS 17 HE3 -0.08 -0.02 0.01 -0.04 2.99 2.86 2jovA15 TYR 18 H 0.01 -0.05 -0.06 -0.55 8.29 7.65 2jovA15 TYR 18 HA 0.01 0.08 0.41 -0.75 4.56 4.31 2jovA15 TYR 18 HB2 0.01 0.01 -0.06 -0.04 3.06 2.99 2jovA15 TYR 18 HB3 0.01 -0.01 0.14 -0.04 2.98 3.08 2jovA15 TYR 18 HD2 0.01 -0.01 0.03 -0.04 7.15 7.14 2jovA15 TYR 18 HE2 0.01 -0.02 0.05 -0.04 6.85 6.85 2jovA15 ASN 19 H 0.18 0.02 0.23 -0.55 8.53 8.41 2jovA15 ASN 19 HA 0.08 0.34 0.72 -0.75 4.76 5.13 2jovA15 ASN 19 HB2 0.05 0.05 -0.01 -0.04 2.88 2.93 2jovA15 ASN 19 HB3 0.06 -0.06 0.06 -0.04 2.79 2.81 2jovA15 ASN 19 HD21 0.04 -0.03 -0.02 -0.04 7.03 6.97 2jovA15 ASN 19 HD22 0.03 -0.02 0.01 -0.04 7.74 7.71 2jovA15 VAL 20 H 0.12 0.01 0.25 -0.55 8.24 8.06 2jovA15 VAL 20 HA 0.04 0.09 0.93 -0.75 4.13 4.43 2jovA15 VAL 20 HB 0.01 0.01 -0.12 -0.04 2.12 1.99 2jovA15 VAL 20 HG13 0.04 0.00 -0.26 -0.04 0.97 0.72 2jovA15 VAL 20 HG23 0.04 -0.03 -0.05 -0.04 0.95 0.87 2jovA15 VAL 21 H -0.01 0.77 0.28 -0.55 8.24 8.74 2jovA15 VAL 21 HA -0.16 0.17 0.92 -0.75 4.13 4.31 2jovA15 VAL 21 HB -0.10 -0.01 -0.23 -0.04 2.12 1.74 2jovA15 VAL 21 HG13 -0.02 0.02 -0.09 -0.04 0.97 0.84 2jovA15 VAL 21 HG23 -0.15 0.03 -0.02 -0.04 0.95 0.77 2jovA15 PRO 22 HA -0.05 0.22 0.80 -0.51 4.44 4.90 2jovA15 PRO 22 HB2 -0.05 0.03 -0.03 -0.04 2.28 2.19 2jovA15 PRO 22 HB3 -0.05 0.03 0.05 -0.04 2.02 2.01 2jovA15 PRO 22 HG2 -0.08 -0.09 0.11 -0.04 2.03 1.93 2jovA15 PRO 22 HG3 -0.07 0.07 0.05 -0.04 2.03 2.04 2jovA15 PRO 22 HD2 -0.17 0.08 0.26 -0.04 3.68 3.81 2jovA15 PRO 22 HD3 -0.12 0.17 0.13 -0.04 3.65 3.79 2jovA15 VAL 23 H -0.04 0.81 0.50 -0.55 8.24 8.96 2jovA15 VAL 23 HA -0.01 0.09 0.97 -0.75 4.13 4.43 2jovA15 VAL 23 HB 0.05 -0.00 -0.08 -0.04 2.12 2.05 2jovA15 VAL 23 HG13 0.01 0.01 -0.26 -0.04 0.97 0.69 2jovA15 VAL 23 HG23 0.04 0.02 -0.12 -0.04 0.95 0.85 2jovA15 LYS 24 H 0.03 0.77 0.38 -0.55 8.42 9.05 2jovA15 LYS 24 HA 0.01 0.26 1.01 -0.75 4.32 4.85 2jovA15 LYS 24 HB2 0.01 0.01 0.06 -0.04 1.87 1.91 2jovA15 LYS 24 HB3 -0.01 -0.00 -0.12 -0.04 1.79 1.61 2jovA15 LYS 24 HG2 0.01 0.11 0.02 -0.04 1.46 1.56 2jovA15 LYS 24 HG3 0.02 -0.02 -0.20 -0.04 1.46 1.22 2jovA15 LYS 24 HD2 -0.01 -0.03 -0.12 -0.04 1.69 1.50 2jovA15 LYS 24 HD3 -0.00 -0.03 -0.13 -0.04 1.68 1.47 2jovA15 LYS 24 HE2 0.00 0.02 -0.11 -0.04 2.99 2.87 2jovA15 LYS 24 HE3 -0.00 0.01 -0.07 -0.04 2.99 2.89 2jovA15 SER 25 H 0.06 0.19 0.14 -0.55 8.46 8.31 2jovA15 SER 25 HA 0.09 0.26 1.07 -0.75 4.49 5.15 2jovA15 SER 25 HB2 0.06 0.01 0.09 -0.04 3.95 4.07 2jovA15 SER 25 HB3 0.15 0.01 0.04 -0.04 3.93 4.10 2jovA15 ASN 26 H 0.05 0.35 0.31 -0.55 8.53 8.69 2jovA15 ASN 26 HA 0.02 0.14 0.57 -0.75 4.76 4.73 2jovA15 ASN 26 HB2 0.02 0.04 0.17 -0.04 2.88 3.06 2jovA15 ASN 26 HB3 0.03 0.04 0.16 -0.04 2.79 2.98 2jovA15 ASN 26 HD21 0.02 0.05 0.02 -0.04 7.03 7.08 2jovA15 ASN 26 HD22 0.02 -0.01 -0.04 -0.04 7.74 7.68 2jovA15 LYS 27 H 0.03 0.00 -0.32 -0.55 8.42 7.58 2jovA15 LYS 27 HA 0.01 0.24 0.86 -0.75 4.32 4.67 2jovA15 LYS 27 HB2 0.02 -0.10 -0.02 -0.04 1.87 1.73 2jovA15 LYS 27 HB3 0.02 -0.01 -0.06 -0.04 1.79 1.69 2jovA15 LYS 27 HG2 0.02 0.07 0.06 -0.04 1.46 1.56 2jovA15 LYS 27 HG3 0.01 0.03 0.07 -0.04 1.46 1.52 2jovA15 LYS 27 HD2 0.01 -0.05 0.06 -0.04 1.69 1.67 2jovA15 LYS 27 HD3 0.01 0.12 0.17 -0.04 1.68 1.94 2jovA15 LYS 27 HE2 0.01 -0.03 0.01 -0.04 2.99 2.94 2jovA15 LYS 27 HE3 0.02 -0.16 -0.22 -0.04 2.99 2.59 2jovA15 PRO 28 HA -0.01 -0.03 0.07 -0.51 4.44 3.95 2jovA15 PRO 28 HB2 -0.01 -0.02 -0.11 -0.04 2.28 2.10 2jovA15 PRO 28 HB3 -0.01 0.10 -0.33 -0.04 2.02 1.74 2jovA15 PRO 28 HG2 0.00 0.05 0.02 -0.04 2.03 2.06 2jovA15 PRO 28 HG3 -0.00 0.05 -0.03 -0.04 2.03 2.00 2jovA15 PRO 28 HD2 0.00 0.11 0.17 -0.04 3.68 3.92 2jovA15 PRO 28 HD3 0.01 0.20 0.13 -0.04 3.65 3.95 2jovA15 VAL 29 H -0.04 0.64 0.08 -0.55 8.24 8.36 2jovA15 VAL 29 HA -0.09 0.17 0.84 -0.75 4.13 4.30 2jovA15 VAL 29 HB -0.17 0.03 0.03 -0.04 2.12 1.98 2jovA15 VAL 29 HG13 -0.55 0.02 -0.01 -0.04 0.97 0.39 2jovA15 VAL 29 HG23 -0.20 -0.01 0.00 -0.04 0.95 0.70 2jovA15 GLU 30 H -0.08 0.18 0.18 -0.55 8.60 8.32 2jovA15 GLU 30 HA -0.28 0.26 0.81 -0.75 4.29 4.32 2jovA15 GLU 30 HB2 -0.05 -0.07 0.16 -0.04 2.09 2.08 2jovA15 GLU 30 HB3 -0.20 0.00 0.12 -0.04 1.99 1.88 2jovA15 GLU 30 HG2 0.01 0.05 0.04 -0.04 2.34 2.40 2jovA15 GLU 30 HG3 -0.06 0.04 0.01 -0.04 2.34 2.28 2jovA15 ILE 31 H -0.31 0.38 0.28 -0.55 8.25 8.05 2jovA15 ILE 31 HA 0.05 0.09 0.39 -0.75 4.18 3.94 2jovA15 ILE 31 HB -0.12 0.01 0.15 -0.04 1.89 1.89 2jovA15 ILE 31 HG12 -0.20 0.03 0.16 -0.04 1.49 1.44 2jovA15 ILE 31 HG13 -0.03 -0.01 -0.17 -0.04 1.21 0.96 2jovA15 ILE 31 HG23 -0.17 0.06 0.10 -0.04 0.93 0.87 2jovA15 ILE 31 HD13 -0.03 0.02 0.02 -0.04 0.88 0.86 2jovA15 SER 32 H -0.06 0.05 -0.51 -0.55 8.46 7.39 2jovA15 SER 32 HA 0.09 0.14 0.53 -0.75 4.49 4.49 2jovA15 SER 32 HB2 0.04 0.00 0.01 -0.04 3.95 3.95 2jovA15 SER 32 HB3 0.06 0.06 0.06 -0.04 3.93 4.07 2jovA15 LYS 33 H 0.05 0.43 -0.20 -0.55 8.42 8.15 2jovA15 LYS 33 HA 0.13 0.14 0.57 -0.75 4.32 4.41 2jovA15 LYS 33 HB2 0.02 0.15 0.09 -0.04 1.87 2.09 2jovA15 LYS 33 HB3 0.47 -0.03 0.05 -0.04 1.79 2.24 2jovA15 LYS 33 HG2 0.12 0.06 -0.00 -0.04 1.46 1.59 2jovA15 LYS 33 HG3 0.07 -0.09 -0.01 -0.04 1.46 1.38 2jovA15 LYS 33 HD2 0.04 -0.10 0.08 -0.04 1.69 1.68 2jovA15 LYS 33 HD3 0.28 0.01 -0.00 -0.04 1.68 1.93 2jovA15 LYS 33 HE2 0.08 0.08 0.00 -0.04 2.99 3.11 2jovA15 LYS 33 HE3 0.05 -0.03 0.02 -0.04 2.99 2.98 2jovA15 TRP 34 H 0.24 0.17 -0.46 -0.55 7.97 7.37 2jovA15 TRP 34 HA -0.04 0.03 0.21 -0.75 4.62 4.06 2jovA15 TRP 34 HB2 0.01 -0.03 0.10 -0.04 3.23 3.27 2jovA15 TRP 34 HB3 0.03 0.23 0.15 -0.04 3.23 3.59 2jovA15 TRP 34 HD1 0.39 -0.02 -0.03 -0.04 7.22 7.52 2jovA15 TRP 34 HE1 0.04 0.04 -0.03 -0.04 10.20 10.21 2jovA15 TRP 34 HE3 0.04 0.01 -0.07 -0.04 7.59 7.53 2jovA15 TRP 34 HZ2 0.02 0.02 -0.02 -0.04 7.44 7.42 2jovA15 TRP 34 HZ3 0.03 0.01 -0.03 -0.04 7.13 7.10 2jovA15 TRP 34 HH2 0.03 0.02 -0.02 -0.04 7.19 7.17 2jovA15 ILE 35 H 0.26 0.25 -0.30 -0.55 8.25 7.91 2jovA15 ILE 35 HA -0.39 0.08 0.34 -0.75 4.18 3.46 2jovA15 ILE 35 HB 0.19 0.03 0.08 -0.04 1.89 2.15 2jovA15 ILE 35 HG12 -0.03 0.00 -0.24 -0.04 1.49 1.18 2jovA15 ILE 35 HG13 -0.05 -0.00 0.04 -0.04 1.21 1.15 2jovA15 ILE 35 HG23 0.08 0.03 0.02 -0.04 0.93 1.02 2jovA15 ILE 35 HD13 0.05 0.01 -0.01 -0.04 0.88 0.88 2jovA15 ASP 36 H 0.02 0.21 -0.22 -0.55 8.40 7.86 2jovA15 ASP 36 HA -0.08 0.09 0.45 -0.75 4.63 4.34 2jovA15 ASP 36 HB2 -0.02 0.01 0.09 -0.04 2.71 2.75 2jovA15 ASP 36 HB3 -0.04 0.06 0.05 -0.04 2.70 2.73 2jovA15 PHE 37 H 0.08 0.72 -0.06 -0.55 8.34 8.52 2jovA15 PHE 37 HA -0.27 0.02 0.42 -0.75 4.62 4.04 2jovA15 PHE 37 HB2 -0.40 0.09 0.01 -0.04 3.15 2.80 2jovA15 PHE 37 HB3 -1.05 0.00 -0.13 -0.04 3.06 1.84 2jovA15 PHE 37 HD2 -0.53 0.08 -0.10 -0.04 7.28 6.69 2jovA15 PHE 37 HE2 -0.16 -0.01 -0.08 -0.04 7.38 7.08 2jovA15 PHE 37 HZ -0.11 -0.06 -0.12 -0.04 7.32 6.99 2jovA15 SER 38 H -0.24 0.65 -0.19 -0.55 8.46 8.13 2jovA15 SER 38 HA -0.01 0.01 0.37 -0.75 4.49 4.10 2jovA15 SER 38 HB2 -0.45 0.14 0.13 -0.04 3.95 3.72 2jovA15 SER 38 HB3 -0.31 -0.03 0.01 -0.04 3.93 3.57 2jovA15 ASN 39 H -0.17 0.41 -0.22 -0.55 8.53 8.00 2jovA15 ASN 39 HA -0.10 0.02 0.35 -0.75 4.76 4.28 2jovA15 ASN 39 HB2 -0.11 0.04 0.24 -0.04 2.88 3.01 2jovA15 ASN 39 HB3 -0.08 -0.02 -0.02 -0.04 2.79 2.63 2jovA15 ASN 39 HD21 -0.05 -0.01 -0.01 -0.04 7.03 6.92 2jovA15 ASN 39 HD22 -0.04 -0.03 -0.02 -0.04 7.74 7.60 2jovA15 VAL 40 H -0.15 0.65 -0.15 -0.55 8.24 8.03 2jovA15 VAL 40 HA -0.12 0.05 0.42 -0.75 4.13 3.73 2jovA15 VAL 40 HB -0.24 0.05 0.12 -0.04 2.12 2.00 2jovA15 VAL 40 HG13 -0.16 -0.01 -0.12 -0.04 0.97 0.64 2jovA15 VAL 40 HG23 -0.19 0.06 0.02 -0.04 0.95 0.79 2jovA15 LEU 41 H -0.11 0.60 -0.14 -0.55 8.37 8.17 2jovA15 LEU 41 HA -0.09 0.03 0.35 -0.75 4.35 3.88 2jovA15 LEU 41 HB2 0.05 0.05 0.07 -0.04 1.64 1.76 2jovA15 LEU 41 HB3 0.03 0.06 0.04 -0.04 1.64 1.72 2jovA15 LEU 41 HG -0.01 0.02 -0.02 -0.04 1.64 1.59 2jovA15 LEU 41 HD13 0.04 -0.01 -0.02 -0.04 0.93 0.90 2jovA15 LEU 41 HD23 0.21 -0.02 -0.15 -0.04 0.89 0.89 2jovA15 SER 42 H -0.11 0.57 -0.31 -0.55 8.46 8.05 2jovA15 SER 42 HA -0.19 -0.01 0.42 -0.75 4.49 3.96 2jovA15 SER 42 HB2 -0.09 0.14 0.09 -0.04 3.95 4.05 2jovA15 SER 42 HB3 -0.07 -0.09 0.08 -0.04 3.93 3.81 2jovA15 ARG 43 H -0.17 0.36 -0.60 -0.55 8.46 7.50 2jovA15 ARG 43 HA -0.16 0.12 0.81 -0.75 4.34 4.36 2jovA15 ARG 43 HB2 -0.09 0.12 0.12 -0.04 1.90 2.01 2jovA15 ARG 43 HB3 -0.04 -0.09 0.18 -0.04 1.80 1.81 2jovA15 ARG 43 HG2 -0.00 -0.04 -0.00 -0.04 1.67 1.58 2jovA15 ARG 43 HG3 -0.06 0.06 -0.11 -0.04 1.67 1.52 2jovA15 ARG 43 HD2 -0.03 -0.05 0.02 -0.04 3.22 3.12 2jovA15 ARG 43 HD3 -0.02 -0.06 -0.02 -0.04 3.22 3.08 2jovA15 LEU 44 H -0.31 0.38 -0.52 -0.55 8.37 7.36 2jovA15 LEU 44 HA -0.09 0.13 0.89 -0.75 4.35 4.52 2jovA15 LEU 44 HB2 -0.10 0.06 -0.03 -0.04 1.64 1.53 2jovA15 LEU 44 HB3 -0.11 0.03 0.24 -0.04 1.64 1.76 2jovA15 LEU 44 HG -0.04 -0.03 -0.15 -0.04 1.64 1.38 2jovA15 LEU 44 HD13 -0.03 0.01 -0.05 -0.04 0.93 0.81 2jovA15 LEU 44 HD23 -0.04 -0.02 -0.08 -0.04 0.89 0.71 2jovA15 TYR 45 H 0.02 0.23 -0.12 -0.55 8.29 7.87 2jovA15 TYR 45 HA 0.00 0.26 0.83 -0.75 4.56 4.90 2jovA15 TYR 45 HB2 0.00 -0.05 0.14 -0.04 3.06 3.11 2jovA15 TYR 45 HB3 0.00 -0.02 -0.00 -0.04 2.98 2.92 2jovA15 TYR 45 HD2 0.00 0.09 -0.01 -0.04 7.15 7.19 2jovA15 TYR 45 HE2 -0.00 -0.06 0.04 -0.04 6.85 6.78 2jovA15 VAL 46 H 0.07 0.35 0.18 -0.55 8.24 8.29 2jovA15 VAL 46 HA 0.06 0.14 0.84 -0.75 4.13 4.42 2jovA15 VAL 46 HB 0.02 0.01 -0.03 -0.04 2.12 2.08 2jovA15 VAL 46 HG13 0.02 0.05 0.04 -0.04 0.97 1.04 2jovA15 VAL 46 HG23 0.01 0.03 -0.29 -0.04 0.95 0.65 2jovA15 GLY 47 H 0.04 0.11 0.02 -0.55 8.43 8.05 2jovA15 GLY 47 HA2 0.05 0.09 0.59 -0.51 4.01 4.22 2jovA15 GLY 47 HA3 0.05 0.44 0.43 -0.51 4.01 4.42 2jovA15 VAL 48 H 0.04 0.17 0.03 -0.55 8.24 7.93 2jovA15 VAL 48 HA 0.03 0.08 0.39 -0.75 4.13 3.88 2jovA15 VAL 48 HB 0.02 0.22 0.31 -0.04 2.12 2.63 2jovA15 VAL 48 HG13 0.02 0.01 -0.11 -0.04 0.97 0.85 2jovA15 VAL 48 HG23 0.02 -0.05 -0.14 -0.04 0.95 0.75 2jovA15 PRO 49 HA 0.08 -0.08 0.34 -0.51 4.44 4.27 2jovA15 PRO 49 HB2 0.04 -0.08 0.10 -0.04 2.28 2.30 2jovA15 PRO 49 HB3 0.07 0.08 -0.38 -0.04 2.02 1.75 2jovA15 PRO 49 HG2 0.03 0.07 0.22 -0.04 2.03 2.32 2jovA15 PRO 49 HG3 0.06 -0.02 0.16 -0.04 2.03 2.19 2jovA15 PRO 49 HD2 0.03 0.03 0.22 -0.04 3.68 3.92 2jovA15 PRO 49 HD3 0.04 0.20 0.22 -0.04 3.65 4.07 2jovA15 THR 50 H 0.04 0.04 0.23 -0.55 8.28 8.04 2jovA15 THR 50 HA 0.02 0.18 0.79 -0.75 4.39 4.63 2jovA15 THR 50 HB 0.01 -0.12 0.19 -0.04 4.32 4.37 2jovA15 THR 50 HG23 0.02 0.07 -0.06 -0.04 1.22 1.21 2jovA15 LYS 51 H 0.01 0.17 0.14 -0.55 8.42 8.20 2jovA15 LYS 51 HA 0.02 0.11 0.87 -0.75 4.32 4.56 2jovA15 LYS 51 HB2 0.01 0.02 -0.04 -0.04 1.87 1.82 2jovA15 LYS 51 HB3 0.01 -0.01 0.05 -0.04 1.79 1.80 2jovA15 LYS 51 HG2 0.02 0.02 -0.08 -0.04 1.46 1.37 2jovA15 LYS 51 HG3 0.02 -0.01 -0.39 -0.04 1.46 1.04 2jovA15 LYS 51 HD2 0.01 0.00 -0.06 -0.04 1.69 1.61 2jovA15 LYS 51 HD3 0.01 -0.00 -0.04 -0.04 1.68 1.61 2jovA15 LYS 51 HE2 0.02 0.04 -0.07 -0.04 2.99 2.94 2jovA15 LYS 51 HE3 0.01 -0.01 -0.03 -0.04 2.99 2.91 2jovA15 SER 52 H 0.01 0.09 -0.00 -0.55 8.46 8.01 2jovA15 SER 52 HA -0.00 0.00 0.24 -0.75 4.49 3.98 2jovA15 SER 52 HB2 0.00 0.03 0.01 -0.04 3.95 3.95 2jovA15 SER 52 HB3 0.00 -0.02 0.07 -0.04 3.93 3.95 2jovA15 GLY 53 H 0.00 0.53 0.44 -0.55 8.43 8.85 2jovA15 GLY 53 HA2 0.01 -0.04 0.27 -0.51 4.01 3.74 2jovA15 GLY 53 HA3 0.01 0.12 0.67 -0.51 4.01 4.29 2jovA15 ASN 54 H 0.00 0.35 0.20 -0.55 8.53 8.54 2jovA15 ASN 54 HA 0.01 0.12 0.76 -0.75 4.76 4.90 2jovA15 ASN 54 HB2 0.01 0.03 0.03 -0.04 2.88 2.91 2jovA15 ASN 54 HB3 0.01 0.08 0.10 -0.04 2.79 2.93 2jovA15 ASN 54 HD21 0.00 -0.01 -0.03 -0.04 7.03 6.95 2jovA15 ASN 54 HD22 0.01 0.07 -0.38 -0.04 7.74 7.39 2jovA15 VAL 55 H 0.01 0.19 0.12 -0.55 8.24 8.02 2jovA15 VAL 55 HA 0.02 0.11 0.66 -0.75 4.13 4.17 2jovA15 VAL 55 HB 0.01 0.03 0.10 -0.04 2.12 2.22 2jovA15 VAL 55 HG13 0.02 -0.04 -0.37 -0.04 0.97 0.53 2jovA15 VAL 55 HG23 0.01 0.02 -0.07 -0.04 0.95 0.87 2jovA15 VAL 56 H 0.02 0.49 0.37 -0.55 8.24 8.57 2jovA15 VAL 56 HA 0.01 0.10 0.48 -0.75 4.13 3.97 2jovA15 VAL 56 HB 0.03 -0.05 0.14 -0.04 2.12 2.20 2jovA15 VAL 56 HG13 0.01 0.01 -0.11 -0.04 0.97 0.84 2jovA15 VAL 56 HG23 0.01 0.01 -0.01 -0.04 0.95 0.92 2jovA15 CYS 57 H 0.02 0.28 0.13 -0.55 8.50 8.38 2jovA15 CYS 57 HA -0.00 0.24 0.84 -0.75 4.58 4.91 2jovA15 CYS 57 HB2 -0.01 0.09 -0.12 -0.04 2.97 2.89 2jovA15 CYS 57 HB3 -0.00 -0.13 0.11 -0.04 2.97 2.90 2jovA15 LYS 58 H -0.00 0.30 0.01 -0.55 8.42 8.17 2jovA15 LYS 58 HA 0.01 -0.03 0.73 -0.75 4.32 4.29 2jovA15 LYS 58 HB2 0.01 0.06 -0.01 -0.04 1.87 1.89 2jovA15 LYS 58 HB3 0.00 0.06 0.13 -0.04 1.79 1.94 2jovA15 LYS 58 HG2 0.00 0.01 -0.16 -0.04 1.46 1.27 2jovA15 LYS 58 HG3 0.01 -0.07 -0.03 -0.04 1.46 1.33 2jovA15 LYS 58 HD2 0.00 0.04 -0.02 -0.04 1.69 1.67 2jovA15 LYS 58 HD3 0.01 -0.00 -0.04 -0.04 1.68 1.61 2jovA15 LYS 58 HE2 0.01 -0.04 -0.03 -0.04 2.99 2.89 2jovA15 LYS 58 HE3 0.01 0.03 -0.04 -0.04 2.99 2.95 2jovA15 ASN 59 H 0.02 0.18 0.25 -0.55 8.53 8.43 2jovA15 ASN 59 HA 0.02 0.02 0.40 -0.75 4.76 4.44 2jovA15 ASN 59 HB2 0.01 0.01 -0.08 -0.04 2.88 2.77 2jovA15 ASN 59 HB3 -0.01 0.28 0.28 -0.04 2.79 3.30 2jovA15 ASN 59 HD21 -0.01 0.17 0.07 -0.04 7.03 7.22 2jovA15 ASN 59 HD22 -0.00 -0.01 0.08 -0.04 7.74 7.76 2jovA15 ILE 60 H 0.00 0.28 -0.02 -0.55 8.25 7.96 2jovA15 ILE 60 HA -0.07 0.10 0.02 -0.75 4.18 3.48 2jovA15 ILE 60 HB -0.04 0.02 0.02 -0.04 1.89 1.86 2jovA15 ILE 60 HG12 -0.31 0.02 -0.32 -0.04 1.49 0.85 2jovA15 ILE 60 HG13 -0.13 0.04 -0.04 -0.04 1.21 1.04 2jovA15 ILE 60 HG23 -0.08 0.01 -0.03 -0.04 0.93 0.78 2jovA15 ILE 60 HD13 -0.16 0.00 -0.08 -0.04 0.88 0.60 2jovA15 MET 61 H -0.12 -0.05 -0.34 -0.55 8.47 7.41 2jovA15 MET 61 HA -0.17 0.30 0.89 -0.75 4.52 4.78 2jovA15 MET 61 HB2 -0.47 -0.08 -0.07 -0.04 2.15 1.50 2jovA15 MET 61 HB3 -0.28 0.05 0.10 -0.04 2.03 1.85 2jovA15 MET 61 HG2 -0.38 0.14 -0.16 -0.04 2.63 2.19 2jovA15 MET 61 HG3 -0.69 -0.12 -0.38 -0.04 2.56 1.33 2jovA15 MET 61 HE3 -0.24 -0.00 -0.08 -0.04 2.10 1.73 2jovA15 ASN 62 H -0.05 0.48 -0.23 -0.55 8.53 8.19 2jovA15 ASN 62 HA -0.01 -0.04 0.37 -0.75 4.76 4.32 2jovA15 ASN 62 HB2 -0.03 0.04 -0.08 -0.04 2.88 2.77 2jovA15 ASN 62 HB3 -0.03 0.16 0.16 -0.04 2.79 3.04 2jovA15 ASN 62 HD21 -0.02 0.03 0.00 -0.04 7.03 7.00 2jovA15 ASN 62 HD22 -0.01 -0.01 0.01 -0.04 7.74 7.68 2jovA15 THR 63 H 0.02 -0.15 0.05 -0.55 8.28 7.65 2jovA15 THR 63 HA 0.03 0.23 0.58 -0.75 4.39 4.47 2jovA15 THR 63 HB 0.07 0.23 -0.33 -0.04 4.32 4.26 2jovA15 THR 63 HG23 0.21 -0.06 -0.27 -0.04 1.22 1.06 2jovA15 GLY 64 H 0.02 -0.03 0.11 -0.55 8.43 7.99 2jovA15 GLY 64 HA2 0.02 0.03 0.30 -0.51 4.01 3.85 2jovA15 GLY 64 HA3 0.02 0.19 0.50 -0.51 4.01 4.21 2jovA15 VAL 65 H 0.05 -0.07 -0.08 -0.55 8.24 7.59 2jovA15 VAL 65 HA 0.05 0.22 0.90 -0.75 4.13 4.54 2jovA15 VAL 65 HB 0.16 -0.13 -0.04 -0.04 2.12 2.07 2jovA15 VAL 65 HG13 0.10 -0.03 -0.21 -0.04 0.97 0.79 2jovA15 VAL 65 HG23 0.04 0.07 -0.29 -0.04 0.95 0.73 2jovA15 ASP 66 H 0.04 0.23 0.14 -0.55 8.40 8.27 2jovA15 ASP 66 HA 0.04 -0.01 1.07 -0.75 4.63 4.98 2jovA15 ASP 66 HB2 0.03 0.01 0.17 -0.04 2.71 2.88 2jovA15 ASP 66 HB3 0.03 0.10 -0.03 -0.04 2.70 2.75 2jovA15 ILE 67 H 0.05 0.60 0.31 -0.55 8.25 8.66 2jovA15 ILE 67 HA 0.10 0.27 0.92 -0.75 4.18 4.71 2jovA15 ILE 67 HB 0.06 -0.10 0.32 -0.04 1.89 2.13 2jovA15 ILE 67 HG12 0.12 -0.09 -0.01 -0.04 1.49 1.47 2jovA15 ILE 67 HG13 0.13 0.03 -0.01 -0.04 1.21 1.32 2jovA15 ILE 67 HG23 0.12 0.02 -0.12 -0.04 0.93 0.91 2jovA15 ILE 67 HD13 0.27 0.01 -0.15 -0.04 0.88 0.97 2jovA15 ILE 68 H 0.05 0.66 0.39 -0.55 8.25 8.80 2jovA15 ILE 68 HA 0.02 0.22 1.08 -0.75 4.18 4.76 2jovA15 ILE 68 HB 0.01 0.03 -0.18 -0.04 1.89 1.72 2jovA15 ILE 68 HG12 0.03 0.07 0.02 -0.04 1.49 1.57 2jovA15 ILE 68 HG13 0.02 -0.06 -0.09 -0.04 1.21 1.04 2jovA15 ILE 68 HG23 0.02 -0.03 -0.36 -0.04 0.93 0.52 2jovA15 ILE 68 HD13 0.02 -0.00 -0.12 -0.04 0.88 0.73 2jovA15 CYS 69 H 0.01 0.76 0.41 -0.55 8.50 9.14 2jovA15 CYS 69 HA -0.01 0.15 1.10 -0.75 4.58 5.07 2jovA15 CYS 69 HB2 -0.00 0.01 0.09 -0.04 2.97 3.03 2jovA15 CYS 69 HB3 -0.01 0.03 0.16 -0.04 2.97 3.12 2jovA15 THR 70 H -0.02 0.34 0.20 -0.55 8.28 8.24 2jovA15 THR 70 HA -0.01 -0.03 0.94 -0.75 4.39 4.54 2jovA15 THR 70 HB -0.01 0.02 -0.12 -0.04 4.32 4.18 2jovA15 THR 70 HG23 -0.02 0.02 -0.11 -0.04 1.22 1.07 2jovA15 LYS 71 H -0.04 0.11 -0.01 -0.55 8.42 7.92 2jovA15 LYS 71 HA -0.04 0.15 0.86 -0.75 4.32 4.54 2jovA15 LYS 71 HB2 -0.12 -0.00 0.09 -0.04 1.87 1.80 2jovA15 LYS 71 HB3 -0.16 0.01 0.06 -0.04 1.79 1.65 2jovA15 LYS 71 HG2 -0.41 0.01 -0.00 -0.04 1.46 1.02 2jovA15 LYS 71 HG3 -0.21 0.10 -0.23 -0.04 1.46 1.07 2jovA15 LYS 71 HD2 -0.05 -0.02 0.12 -0.04 1.69 1.70 2jovA15 LYS 71 HD3 -0.09 -0.02 0.03 -0.04 1.68 1.56 2jovA15 LYS 71 HE2 0.02 -0.02 0.03 -0.04 2.99 2.98 2jovA15 LYS 71 HE3 -0.03 -0.00 0.02 -0.04 2.99 2.93 2jovA15 ASN 72 H -0.00 0.17 0.11 -0.55 8.53 8.26 2jovA15 ASN 72 HA 0.02 0.17 0.70 -0.75 4.76 4.90 2jovA15 ASN 72 HB2 0.03 -0.01 0.17 -0.04 2.88 3.03 2jovA15 ASN 72 HB3 0.04 0.07 -0.01 -0.04 2.79 2.84 2jovA15 ASN 72 HD21 0.01 -0.05 0.09 -0.04 7.03 7.04 2jovA15 ASN 72 HD22 0.02 0.14 0.07 -0.04 7.74 7.93 2jovA15 LEU 73 H 0.06 0.64 0.16 -0.55 8.37 8.68 2jovA15 LEU 73 HA 0.44 0.15 0.77 -0.75 4.35 4.95 2jovA15 LEU 73 HB2 0.10 -0.17 0.20 -0.04 1.64 1.73 2jovA15 LEU 73 HB3 0.23 0.05 -0.02 -0.04 1.64 1.85 2jovA15 LEU 73 HG 0.01 0.01 -0.14 -0.04 1.64 1.48 2jovA15 LEU 73 HD13 -0.04 -0.05 -0.17 -0.04 0.93 0.63 2jovA15 LEU 73 HD23 0.14 0.00 -0.17 -0.04 0.89 0.82 2jovA15 PRO 74 HA 0.04 0.00 0.46 -0.51 4.44 4.43 2jovA15 PRO 74 HB2 -0.01 -0.01 -0.11 -0.04 2.28 2.11 2jovA15 PRO 74 HB3 0.01 0.03 0.05 -0.04 2.02 2.07 2jovA15 PRO 74 HG2 -0.10 -0.04 0.11 -0.04 2.03 1.97 2jovA15 PRO 74 HG3 -0.04 0.05 0.07 -0.04 2.03 2.07 2jovA15 PRO 74 HD2 0.26 0.04 0.29 -0.04 3.68 4.23 2jovA15 PRO 74 HD3 0.13 0.23 0.14 -0.04 3.65 4.11 2jovA15 LYS 75 H 0.02 0.08 0.13 -0.55 8.42 8.10 2jovA15 LYS 75 HA 0.03 0.13 0.32 -0.75 4.32 4.05 2jovA15 LYS 75 HB2 0.02 0.13 0.13 -0.04 1.87 2.11 2jovA15 LYS 75 HB3 0.02 -0.12 0.21 -0.04 1.79 1.85 2jovA15 LYS 75 HG2 0.01 -0.02 0.02 -0.04 1.46 1.43 2jovA15 LYS 75 HG3 0.01 -0.00 -0.24 -0.04 1.46 1.19 2jovA15 LYS 75 HD2 0.02 0.04 0.10 -0.04 1.69 1.81 2jovA15 LYS 75 HD3 0.02 0.06 0.05 -0.04 1.68 1.76 2jovA15 LYS 75 HE2 0.01 -0.01 -0.04 -0.04 2.99 2.91 2jovA15 LYS 75 HE3 0.02 -0.01 0.03 -0.04 2.99 2.99 2jovA15 ASP 76 H 0.01 0.09 0.01 -0.55 8.40 7.96 2jovA15 ASP 76 HA 0.01 0.25 0.89 -0.75 4.63 5.02 2jovA15 ASP 76 HB2 0.00 -0.04 0.13 -0.04 2.71 2.76 2jovA15 ASP 76 HB3 0.01 0.02 -0.08 -0.04 2.70 2.61 2jovA15 SER 77 H -0.00 0.28 -0.04 -0.55 8.46 8.15 2jovA15 SER 77 HA -0.00 0.04 0.57 -0.75 4.49 4.34 2jovA15 SER 77 HB2 -0.03 0.03 0.02 -0.04 3.95 3.93 2jovA15 SER 77 HB3 -0.01 0.02 0.14 -0.04 3.93 4.04 2jovA15 LEU 78 H 0.01 0.21 0.16 -0.55 8.37 8.20 2jovA15 LEU 78 HA 0.02 0.07 0.34 -0.75 4.35 4.02 2jovA15 LEU 78 HB2 0.02 -0.01 0.22 -0.04 1.64 1.83 2jovA15 LEU 78 HB3 0.02 -0.02 0.05 -0.04 1.64 1.65 2jovA15 LEU 78 HG 0.01 0.21 0.08 -0.04 1.64 1.89 2jovA15 LEU 78 HD13 -0.00 -0.01 0.03 -0.04 0.93 0.91 2jovA15 LEU 78 HD23 -0.00 -0.01 -0.11 -0.04 0.89 0.73 2jovA15 GLU 79 H 0.04 0.44 0.19 -0.55 8.60 8.73 2jovA15 GLU 79 HA 0.12 0.09 0.82 -0.75 4.29 4.56 2jovA15 GLU 79 HB2 0.02 -0.01 -0.19 -0.04 2.09 1.87 2jovA15 GLU 79 HB3 0.03 0.04 0.16 -0.04 1.99 2.18 2jovA15 GLU 79 HG2 0.03 0.02 0.03 -0.04 2.34 2.39 2jovA15 GLU 79 HG3 0.00 0.01 -0.03 -0.04 2.34 2.28 2jovA15 HIS 80 H 0.13 0.17 0.02 -0.55 8.41 8.19 2jovA15 HIS 80 HA -0.08 0.25 0.85 -0.75 4.63 4.90 2jovA15 HIS 80 HB2 -0.08 -0.02 -0.06 -0.04 3.26 3.07 2jovA15 HIS 80 HB3 -0.19 -0.00 0.02 -0.04 3.20 2.98 2jovA15 HIS 80 HD2 -0.17 -0.02 0.01 -0.04 6.97 6.75 2jovA15 HIS 80 HE1 -0.04 -0.01 0.01 -0.04 7.75 7.67 2jovA15 HIS 81 H 0.12 -0.00 -0.15 -0.55 8.41 7.83 2jovA15 HIS 81 HA -0.15 0.11 0.64 -0.75 4.63 4.48 2jovA15 HIS 81 HB2 -0.03 0.01 0.00 -0.04 3.26 3.21 2jovA15 HIS 81 HB3 -0.00 0.10 0.10 -0.04 3.20 3.35 2jovA15 HIS 81 HD2 0.00 -0.10 0.05 -0.04 6.97 6.88 2jovA15 HIS 81 HE1 0.02 0.00 -0.01 -0.04 7.75 7.72 2jovA15 HIS 82 H 0.06 0.09 0.09 -0.55 8.41 8.10 2jovA15 HIS 82 HA 0.03 0.26 0.83 -0.75 4.63 4.99 2jovA15 HIS 82 HB2 0.05 0.03 -0.01 -0.04 3.26 3.29 2jovA15 HIS 82 HB3 0.05 -0.16 0.09 -0.04 3.20 3.13 2jovA15 HIS 82 HD2 -0.02 0.05 -0.01 -0.04 6.97 6.95 2jovA15 HIS 82 HE1 -0.04 0.00 -0.02 -0.04 7.75 7.64 2jovA15 HIS 83 H 0.24 0.11 0.07 -0.55 8.41 8.29 2jovA15 HIS 83 HA 0.05 0.11 0.22 -0.75 4.63 4.26 2jovA15 HIS 83 HB2 0.02 0.02 0.13 -0.04 3.26 3.39 2jovA15 HIS 83 HB3 0.01 -0.08 0.09 -0.04 3.20 3.18 2jovA15 HIS 83 HD2 -0.00 -0.00 -0.21 -0.04 6.97 6.71 2jovA15 HIS 83 HE1 -0.01 0.01 -0.00 -0.04 7.75 7.70 2jovA15 HIS 84 H 0.21 -0.04 -0.14 -0.55 8.41 7.89 2jovA15 HIS 84 HA 0.09 0.15 0.27 -0.75 4.63 4.38 2jovA15 HIS 84 HB2 0.10 0.19 -0.05 -0.04 3.26 3.47 2jovA15 HIS 84 HB3 -0.08 -0.09 0.02 -0.04 3.20 3.01 2jovA15 HIS 84 HD2 0.06 -0.01 -0.04 -0.04 6.97 6.94 2jovA15 HIS 84 HE1 0.07 -0.01 -0.00 -0.04 7.75 7.76 2jovA15 HIS 85 H -0.12 0.26 0.03 -0.55 8.41 8.03 2jovA15 HIS 85 HA -0.00 0.17 0.17 -0.75 4.63 4.22 2jovA15 HIS 85 HB2 -0.07 0.03 0.09 -0.04 3.26 3.27 2jovA15 HIS 85 HB3 -0.19 0.16 -0.05 -0.04 3.20 3.07 2jovA15 HIS 85 HD2 -0.04 0.01 0.02 -0.04 6.97 6.92 2jovA15 HIS 85 HE1 -0.00 0.02 -0.03 -0.04 7.75 7.69