============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 10 rings ring int. center anis. iso. PHE 5 1.000 10.632 4.260 -3.815 -99.200 -91.000 TRP 16 1.040 -3.771 -0.963 -2.817 -99.200 -91.000 TRP6 16 1.020 -5.919 -1.507 -3.461 -99.200 -91.000 TYR 26 0.840 -5.692 -6.680 -4.987 -99.200 -91.000 TYR 28 0.840 -2.106 -5.439 -0.842 -99.200 -91.000 TYR 33 0.840 -2.960 1.598 5.894 -99.200 -91.000 TRP 35 1.040 -6.297 9.167 4.528 -99.200 -91.000 TRP6 35 1.020 -7.737 10.956 4.841 -99.200 -91.000 TYR 41 0.840 6.045 -2.712 1.290 -99.200 -91.000 HIS 43 0.900 7.844 -4.743 -1.523 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2bdsA5 ALA 1 HA -0.06 -0.04 0.15 -0.75 4.34 3.63 2bdsA5 ALA 1 HB3 -0.04 -0.08 0.10 -0.04 1.41 1.35 2bdsA5 ALA 2 H -0.10 -0.12 0.23 -0.55 8.40 7.87 2bdsA5 ALA 2 HA -0.07 0.05 0.39 -0.75 4.34 3.95 2bdsA5 ALA 2 HB3 -0.10 -0.07 0.26 -0.04 1.41 1.46 2bdsA5 PRO 3 HA -0.03 0.17 0.80 -0.51 4.44 4.87 2bdsA5 PRO 3 HB2 0.07 -0.00 0.24 -0.04 2.28 2.55 2bdsA5 PRO 3 HB3 0.02 0.04 0.16 -0.04 2.02 2.19 2bdsA5 PRO 3 HG2 -0.02 -0.02 0.06 -0.04 2.03 2.01 2bdsA5 PRO 3 HG3 -0.01 0.03 0.08 -0.04 2.03 2.09 2bdsA5 PRO 3 HD2 -0.07 0.03 0.19 -0.04 3.68 3.78 2bdsA5 PRO 3 HD3 -0.04 0.18 0.15 -0.04 3.65 3.90 2bdsA5 CYS 4 H -0.12 0.29 -0.73 -0.55 8.50 7.39 2bdsA5 CYS 4 HA -0.71 0.02 0.38 -0.75 4.58 3.51 2bdsA5 CYS 4 HB2 -0.24 -0.04 0.03 -0.04 2.97 2.68 2bdsA5 CYS 4 HB3 -0.13 0.04 0.02 -0.04 2.97 2.85 2bdsA5 PHE 5 H -1.50 0.04 0.12 -0.55 8.34 6.44 2bdsA5 PHE 5 HA 0.09 0.15 0.37 -0.75 4.62 4.47 2bdsA5 PHE 5 HB2 0.02 0.00 -0.08 -0.04 3.15 3.05 2bdsA5 PHE 5 HB3 0.05 0.05 -0.02 -0.04 3.06 3.10 2bdsA5 PHE 5 HD2 0.01 0.10 -0.14 -0.04 7.28 7.21 2bdsA5 PHE 5 HE2 0.00 0.02 0.06 -0.04 7.38 7.42 2bdsA5 PHE 5 HZ 0.00 -0.04 0.03 -0.04 7.32 7.26 2bdsA5 CYS 6 H 0.20 0.44 0.03 -0.55 8.50 8.62 2bdsA5 CYS 6 HA -0.05 0.15 0.71 -0.75 4.58 4.63 2bdsA5 CYS 6 HB2 -0.78 0.13 -0.03 -0.04 2.97 2.25 2bdsA5 CYS 6 HB3 -0.43 -0.03 0.00 -0.04 2.97 2.47 2bdsA5 SER 7 H -0.12 0.12 0.09 -0.55 8.46 8.00 2bdsA5 SER 7 HA -0.00 0.05 0.41 -0.75 4.49 4.20 2bdsA5 SER 7 HB2 -0.03 -0.03 0.15 -0.04 3.95 3.99 2bdsA5 SER 7 HB3 -0.03 0.03 0.09 -0.04 3.93 3.98 2bdsA5 GLY 8 H 0.01 0.18 0.19 -0.55 8.43 8.26 2bdsA5 GLY 8 HA2 0.01 -0.01 0.32 -0.51 4.01 3.82 2bdsA5 GLY 8 HA3 -0.00 0.05 0.35 -0.51 4.01 3.90 2bdsA5 LYS 9 H -0.02 0.08 -1.42 -0.55 8.42 6.51 2bdsA5 LYS 9 HA 0.06 0.18 0.85 -0.75 4.32 4.66 2bdsA5 LYS 9 HB2 -0.23 -0.17 -0.12 -0.04 1.87 1.31 2bdsA5 LYS 9 HB3 0.21 0.16 -0.05 -0.04 1.79 2.07 2bdsA5 LYS 9 HG2 0.10 0.01 -0.02 -0.04 1.46 1.51 2bdsA5 LYS 9 HG3 0.01 0.04 -0.14 -0.04 1.46 1.33 2bdsA5 LYS 9 HD2 -0.16 0.24 -0.08 -0.04 1.69 1.64 2bdsA5 LYS 9 HD3 -0.46 -0.07 -0.07 -0.04 1.68 1.05 2bdsA5 LYS 9 HE2 0.01 -0.01 -0.02 -0.04 2.99 2.93 2bdsA5 LYS 9 HE3 -0.02 0.01 -0.04 -0.04 2.99 2.89 2bdsA5 PRO 10 HA 0.04 0.10 0.48 -0.51 4.44 4.55 2bdsA5 PRO 10 HB2 0.03 -0.01 0.08 -0.04 2.28 2.35 2bdsA5 PRO 10 HB3 -0.02 0.01 0.09 -0.04 2.02 2.06 2bdsA5 PRO 10 HG2 0.05 0.02 0.02 -0.04 2.03 2.08 2bdsA5 PRO 10 HG3 0.02 0.03 0.03 -0.04 2.03 2.07 2bdsA5 PRO 10 HD2 0.10 0.09 0.18 -0.04 3.68 4.00 2bdsA5 PRO 10 HD3 0.05 0.30 0.10 -0.04 3.65 4.06 2bdsA5 GLY 11 H 0.01 0.09 0.10 -0.55 8.43 8.08 2bdsA5 GLY 11 HA2 0.10 -0.03 0.34 -0.51 4.01 3.90 2bdsA5 GLY 11 HA3 0.27 0.14 0.64 -0.51 4.01 4.54 2bdsA5 ARG 12 H -0.49 0.28 0.19 -0.55 8.46 7.89 2bdsA5 ARG 12 HA 0.09 0.19 0.37 -0.75 4.34 4.23 2bdsA5 ARG 12 HB2 -0.11 0.02 0.04 -0.04 1.90 1.81 2bdsA5 ARG 12 HB3 -0.07 -0.01 -0.44 -0.04 1.80 1.24 2bdsA5 ARG 12 HG2 -0.29 -0.09 -0.08 -0.04 1.67 1.17 2bdsA5 ARG 12 HG3 -0.98 0.02 -0.24 -0.04 1.67 0.43 2bdsA5 ARG 12 HD2 -0.05 -0.02 -0.08 -0.04 3.22 3.04 2bdsA5 ARG 12 HD3 -0.02 -0.10 -0.09 -0.04 3.22 2.97 2bdsA5 GLY 13 H -0.06 0.16 -0.05 -0.55 8.43 7.94 2bdsA5 GLY 13 HA2 -0.11 -0.03 0.04 -0.51 4.01 3.40 2bdsA5 GLY 13 HA3 0.04 0.08 0.41 -0.51 4.01 4.03 2bdsA5 ASP 14 H 0.11 0.47 0.10 -0.55 8.40 8.53 2bdsA5 ASP 14 HA 0.02 0.08 0.51 -0.75 4.63 4.49 2bdsA5 ASP 14 HB2 0.33 -0.04 0.24 -0.04 2.71 3.20 2bdsA5 ASP 14 HB3 0.25 -0.03 0.00 -0.04 2.70 2.88 2bdsA5 LEU 15 H -0.10 -0.03 0.34 -0.55 8.37 8.03 2bdsA5 LEU 15 HA -0.01 0.19 0.88 -0.75 4.35 4.66 2bdsA5 LEU 15 HB2 -0.09 0.00 0.13 -0.04 1.64 1.64 2bdsA5 LEU 15 HB3 -0.13 -0.10 0.30 -0.04 1.64 1.68 2bdsA5 LEU 15 HG -0.09 0.04 -0.22 -0.04 1.64 1.32 2bdsA5 LEU 15 HD13 -0.05 0.06 -0.08 -0.04 0.93 0.82 2bdsA5 LEU 15 HD23 -0.09 -0.02 0.00 -0.04 0.89 0.74 2bdsA5 TRP 16 H 0.19 0.63 0.60 -0.55 7.97 8.85 2bdsA5 TRP 16 HA -0.07 0.05 0.71 -0.75 4.62 4.55 2bdsA5 TRP 16 HB2 -0.16 0.09 0.12 -0.04 3.23 3.24 2bdsA5 TRP 16 HB3 -0.09 -0.00 0.05 -0.04 3.23 3.15 2bdsA5 TRP 16 HD1 -0.20 0.18 -0.01 -0.04 7.22 7.15 2bdsA5 TRP 16 HE1 0.10 0.01 -0.04 -0.04 10.20 10.23 2bdsA5 TRP 16 HE3 -0.05 -0.04 0.07 -0.04 7.59 7.52 2bdsA5 TRP 16 HZ2 -1.05 -0.01 -0.00 -0.04 7.44 6.34 2bdsA5 TRP 16 HZ3 -0.03 -0.00 0.02 -0.04 7.13 7.08 2bdsA5 TRP 16 HH2 -0.15 -0.02 0.01 -0.04 7.19 6.99 2bdsA5 ILE 17 H 0.26 0.05 0.11 -0.55 8.25 8.12 2bdsA5 ILE 17 HA -0.01 0.20 0.71 -0.75 4.18 4.32 2bdsA5 ILE 17 HB 0.02 0.02 0.10 -0.04 1.89 1.98 2bdsA5 ILE 17 HG12 -0.06 0.03 0.04 -0.04 1.49 1.46 2bdsA5 ILE 17 HG13 0.12 -0.03 0.08 -0.04 1.21 1.34 2bdsA5 ILE 17 HG23 -0.06 0.02 0.08 -0.04 0.93 0.93 2bdsA5 ILE 17 HD13 -0.02 0.01 0.02 -0.04 0.88 0.85 2bdsA5 LEU 18 H -0.08 0.11 0.16 -0.55 8.37 8.02 2bdsA5 LEU 18 HA -0.17 -0.02 -0.11 -0.75 4.35 3.29 2bdsA5 LEU 18 HB2 -0.27 -0.07 0.19 -0.04 1.64 1.45 2bdsA5 LEU 18 HB3 -0.73 -0.03 0.18 -0.04 1.64 1.02 2bdsA5 LEU 18 HG -0.18 0.04 0.25 -0.04 1.64 1.71 2bdsA5 LEU 18 HD13 -0.04 -0.03 0.05 -0.04 0.93 0.87 2bdsA5 LEU 18 HD23 -0.25 -0.01 0.10 -0.04 0.89 0.69 2bdsA5 ARG 19 H 0.16 0.73 0.35 -0.55 8.46 9.14 2bdsA5 ARG 19 HA 0.16 0.09 0.83 -0.75 4.34 4.68 2bdsA5 ARG 19 HB2 0.16 0.06 -0.11 -0.04 1.90 1.98 2bdsA5 ARG 19 HB3 0.09 0.14 -0.18 -0.04 1.80 1.80 2bdsA5 ARG 19 HG2 0.09 0.00 0.01 -0.04 1.67 1.73 2bdsA5 ARG 19 HG3 0.14 -0.00 -0.23 -0.04 1.67 1.54 2bdsA5 ARG 19 HD2 0.34 -0.09 -0.07 -0.04 3.22 3.35 2bdsA5 ARG 19 HD3 -0.01 0.01 -0.04 -0.04 3.22 3.13 2bdsA5 GLY 20 H 0.18 0.16 0.07 -0.55 8.43 8.29 2bdsA5 GLY 20 HA2 0.12 0.04 0.34 -0.51 4.01 4.00 2bdsA5 GLY 20 HA3 0.05 -0.00 0.28 -0.51 4.01 3.83 2bdsA5 THR 21 H 0.09 0.08 -0.24 -0.55 8.28 7.67 2bdsA5 THR 21 HA 0.24 0.14 0.54 -0.75 4.39 4.55 2bdsA5 THR 21 HB 0.00 0.17 -0.10 -0.04 4.32 4.35 2bdsA5 THR 21 HG23 -0.07 0.03 0.03 -0.04 1.22 1.18 2bdsA5 CYS 22 H 0.05 0.11 0.05 -0.55 8.50 8.16 2bdsA5 CYS 22 HA -0.46 0.09 0.48 -0.75 4.58 3.93 2bdsA5 CYS 22 HB2 -0.18 -0.02 0.06 -0.04 2.97 2.79 2bdsA5 CYS 22 HB3 -0.09 0.04 -0.03 -0.04 2.97 2.84 2bdsA5 PRO 23 HA -0.04 0.14 0.23 -0.51 4.44 4.26 2bdsA5 PRO 23 HB2 0.09 -0.25 0.15 -0.04 2.28 2.24 2bdsA5 PRO 23 HB3 0.03 0.11 0.14 -0.04 2.02 2.25 2bdsA5 PRO 23 HG2 -0.20 -0.04 0.06 -0.04 2.03 1.81 2bdsA5 PRO 23 HG3 -0.35 0.10 0.08 -0.04 2.03 1.83 2bdsA5 PRO 23 HD2 -0.58 0.07 0.16 -0.04 3.68 3.29 2bdsA5 PRO 23 HD3 -1.09 0.18 0.21 -0.04 3.65 2.91 2bdsA5 GLY 24 H 0.05 0.14 0.09 -0.55 8.43 8.16 2bdsA5 GLY 24 HA2 0.03 0.23 0.74 -0.51 4.01 4.51 2bdsA5 GLY 24 HA3 0.03 0.07 0.35 -0.51 4.01 3.95 2bdsA5 GLY 25 H 0.11 -0.08 0.01 -0.55 8.43 7.92 2bdsA5 GLY 25 HA2 0.02 0.26 0.71 -0.51 4.01 4.48 2bdsA5 GLY 25 HA3 0.05 0.02 0.28 -0.51 4.01 3.85 2bdsA5 TYR 26 H 0.16 -0.17 0.01 -0.55 8.29 7.74 2bdsA5 TYR 26 HA -0.08 0.22 0.69 -0.75 4.56 4.64 2bdsA5 TYR 26 HB2 -0.22 -0.10 0.14 -0.04 3.06 2.84 2bdsA5 TYR 26 HB3 -0.66 0.07 0.00 -0.04 2.98 2.35 2bdsA5 TYR 26 HD2 -0.03 -0.07 -0.06 -0.04 7.15 6.95 2bdsA5 TYR 26 HE2 0.20 0.02 -0.02 -0.04 6.85 7.01 2bdsA5 GLY 27 H -0.08 -0.17 0.11 -0.55 8.43 7.75 2bdsA5 GLY 27 HA2 -0.01 0.06 0.18 -0.51 4.01 3.73 2bdsA5 GLY 27 HA3 -0.06 0.19 0.68 -0.51 4.01 4.31 2bdsA5 TYR 28 H -0.07 -0.27 0.13 -0.55 8.29 7.53 2bdsA5 TYR 28 HA 0.05 0.16 0.65 -0.75 4.56 4.67 2bdsA5 TYR 28 HB2 -0.05 -0.04 -0.00 -0.04 3.06 2.92 2bdsA5 TYR 28 HB3 -0.00 0.14 0.14 -0.04 2.98 3.22 2bdsA5 TYR 28 HD2 -0.11 0.04 -0.16 -0.04 7.15 6.88 2bdsA5 TYR 28 HE2 -0.24 0.01 -0.09 -0.04 6.85 6.49 2bdsA5 THR 29 H 0.20 0.27 0.26 -0.55 8.28 8.46 2bdsA5 THR 29 HA 0.08 0.09 0.48 -0.75 4.39 4.30 2bdsA5 THR 29 HB 0.06 -0.02 -0.02 -0.04 4.32 4.30 2bdsA5 THR 29 HG23 0.06 0.03 -0.09 -0.04 1.22 1.18 2bdsA5 SER 30 H 0.14 0.07 0.08 -0.55 8.46 8.20 2bdsA5 SER 30 HA 0.08 0.18 0.81 -0.75 4.49 4.80 2bdsA5 SER 30 HB2 0.15 0.07 -0.02 -0.04 3.95 4.11 2bdsA5 SER 30 HB3 0.10 0.05 0.05 -0.04 3.93 4.08 2bdsA5 ASN 31 H 0.05 0.31 0.24 -0.55 8.53 8.59 2bdsA5 ASN 31 HA -0.05 -0.03 0.76 -0.75 4.76 4.68 2bdsA5 ASN 31 HB2 -0.44 0.06 -0.13 -0.04 2.88 2.33 2bdsA5 ASN 31 HB3 -0.25 0.01 0.03 -0.04 2.79 2.54 2bdsA5 ASN 31 HD21 0.05 -0.08 -0.17 -0.04 7.03 6.78 2bdsA5 ASN 31 HD22 0.07 0.14 -0.41 -0.04 7.74 7.50 2bdsA5 CYS 32 H -0.23 0.47 0.20 -0.55 8.50 8.40 2bdsA5 CYS 32 HA 0.00 0.16 1.01 -0.75 4.58 5.00 2bdsA5 CYS 32 HB2 -0.06 0.03 -0.01 -0.04 2.97 2.88 2bdsA5 CYS 32 HB3 -0.14 -0.01 0.09 -0.04 2.97 2.87 2bdsA5 TYR 33 H 0.16 0.20 0.15 -0.55 8.29 8.24 2bdsA5 TYR 33 HA 0.05 0.15 0.78 -0.75 4.56 4.79 2bdsA5 TYR 33 HB2 -0.00 -0.02 0.19 -0.04 3.06 3.18 2bdsA5 TYR 33 HB3 0.06 0.02 0.02 -0.04 2.98 3.04 2bdsA5 TYR 33 HD2 0.03 0.04 -0.09 -0.04 7.15 7.08 2bdsA5 TYR 33 HE2 -0.04 -0.00 -0.34 -0.04 6.85 6.43 2bdsA5 LYS 34 H 0.09 0.35 0.14 -0.55 8.42 8.44 2bdsA5 LYS 34 HA 0.13 0.14 0.88 -0.75 4.32 4.71 2bdsA5 LYS 34 HB2 0.03 -0.04 0.00 -0.04 1.87 1.82 2bdsA5 LYS 34 HB3 0.05 0.05 0.06 -0.04 1.79 1.92 2bdsA5 LYS 34 HG2 0.03 0.01 -0.10 -0.04 1.46 1.36 2bdsA5 LYS 34 HG3 0.05 0.09 -0.60 -0.04 1.46 0.95 2bdsA5 LYS 34 HD2 -0.02 -0.07 -0.20 -0.04 1.69 1.36 2bdsA5 LYS 34 HD3 -0.02 -0.04 -0.23 -0.04 1.68 1.36 2bdsA5 LYS 34 HE2 -0.03 0.00 -0.10 -0.04 2.99 2.83 2bdsA5 LYS 34 HE3 -0.00 0.01 -0.08 -0.04 2.99 2.87 2bdsA5 TRP 35 H 0.36 0.11 -0.09 -0.55 7.97 7.80 2bdsA5 TRP 35 HA 0.04 0.03 0.37 -0.75 4.62 4.31 2bdsA5 TRP 35 HB2 0.04 0.01 0.09 -0.04 3.23 3.32 2bdsA5 TRP 35 HB3 0.02 0.05 -0.07 -0.04 3.23 3.18 2bdsA5 TRP 35 HD1 0.09 0.10 -0.14 -0.04 7.22 7.23 2bdsA5 TRP 35 HE1 0.05 -0.01 -0.28 -0.04 10.20 9.92 2bdsA5 TRP 35 HE3 0.01 0.01 -0.05 -0.04 7.59 7.53 2bdsA5 TRP 35 HZ2 0.02 0.00 -0.03 -0.04 7.44 7.39 2bdsA5 TRP 35 HZ3 0.01 -0.00 -0.01 -0.04 7.13 7.08 2bdsA5 TRP 35 HH2 0.01 -0.01 -0.00 -0.04 7.19 7.15 2bdsA5 PRO 36 HA -1.35 0.03 0.31 -0.51 4.44 2.93 2bdsA5 PRO 36 HB2 -0.44 -0.01 0.21 -0.04 2.28 2.01 2bdsA5 PRO 36 HB3 -0.81 0.02 0.14 -0.04 2.02 1.33 2bdsA5 PRO 36 HG2 -0.17 0.02 0.06 -0.04 2.03 1.91 2bdsA5 PRO 36 HG3 -0.18 0.02 0.07 -0.04 2.03 1.90 2bdsA5 PRO 36 HD2 -0.06 0.11 0.23 -0.04 3.68 3.93 2bdsA5 PRO 36 HD3 -0.00 0.11 0.17 -0.04 3.65 3.88 2bdsA5 ASN 37 H -0.00 0.33 -0.08 -0.55 8.53 8.24 2bdsA5 ASN 37 HA -0.03 0.02 -0.15 -0.75 4.76 3.85 2bdsA5 ASN 37 HB2 -0.02 0.06 -0.10 -0.04 2.88 2.78 2bdsA5 ASN 37 HB3 -0.02 0.26 0.22 -0.04 2.79 3.21 2bdsA5 ASN 37 HD21 -0.10 -0.05 -0.08 -0.04 7.03 6.75 2bdsA5 ASN 37 HD22 -0.07 -0.06 0.04 -0.04 7.74 7.61 2bdsA5 ILE 38 H 0.03 0.67 0.18 -0.55 8.25 8.58 2bdsA5 ILE 38 HA -0.05 -0.10 0.65 -0.75 4.18 3.93 2bdsA5 ILE 38 HB -0.17 0.04 -0.03 -0.04 1.89 1.68 2bdsA5 ILE 38 HG12 -0.20 -0.16 -0.39 -0.04 1.49 0.69 2bdsA5 ILE 38 HG13 -0.41 0.27 -0.18 -0.04 1.21 0.85 2bdsA5 ILE 38 HG23 0.09 -0.01 -0.23 -0.04 0.93 0.74 2bdsA5 ILE 38 HD13 -1.15 -0.01 -0.26 -0.04 0.88 -0.59 2bdsA5 CYS 39 H -0.09 0.34 0.18 -0.55 8.50 8.37 2bdsA5 CYS 39 HA 0.07 0.37 1.03 -0.75 4.58 5.29 2bdsA5 CYS 39 HB2 0.03 -0.01 -0.10 -0.04 2.97 2.84 2bdsA5 CYS 39 HB3 0.05 0.01 -0.50 -0.04 2.97 2.48 2bdsA5 CYS 40 H 0.13 0.56 0.22 -0.55 8.50 8.87 2bdsA5 CYS 40 HA -0.30 -0.10 0.53 -0.75 4.58 3.96 2bdsA5 CYS 40 HB2 -0.63 -0.01 0.11 -0.04 2.97 2.40 2bdsA5 CYS 40 HB3 -1.30 -0.02 0.10 -0.04 2.97 1.71 2bdsA5 TYR 41 H 0.01 0.24 0.58 -0.55 8.29 8.57 2bdsA5 TYR 41 HA 0.15 0.17 0.46 -0.75 4.56 4.59 2bdsA5 TYR 41 HB2 0.01 -0.15 -0.35 -0.04 3.06 2.52 2bdsA5 TYR 41 HB3 0.06 -0.08 0.06 -0.04 2.98 2.97 2bdsA5 TYR 41 HD2 0.05 -0.13 -0.30 -0.04 7.15 6.73 2bdsA5 TYR 41 HE2 0.14 -0.06 -0.14 -0.04 6.85 6.75 2bdsA5 PRO 42 HA 0.17 0.05 0.36 -0.51 4.44 4.51 2bdsA5 PRO 42 HB2 0.00 0.02 0.06 -0.04 2.28 2.32 2bdsA5 PRO 42 HB3 0.02 0.05 0.08 -0.04 2.02 2.13 2bdsA5 PRO 42 HG2 0.07 0.09 0.12 -0.04 2.03 2.27 2bdsA5 PRO 42 HG3 0.08 0.01 0.14 -0.04 2.03 2.23 2bdsA5 PRO 42 HD2 0.25 0.13 0.12 -0.04 3.68 4.14 2bdsA5 PRO 42 HD3 0.19 -0.26 0.61 -0.04 3.65 4.15 2bdsA5 HIS 43 H 0.08 0.08 -0.03 -0.55 8.41 8.00 2bdsA5 HIS 43 HA -0.06 0.05 0.17 -0.75 4.63 4.04 2bdsA5 HIS 43 HB2 -0.22 -0.03 0.01 -0.04 3.26 2.98 2bdsA5 HIS 43 HB3 -0.73 -0.03 -0.32 -0.04 3.20 2.08 2bdsA5 HIS 43 HD2 -0.10 -0.07 0.03 -0.04 6.97 6.79 2bdsA5 HIS 43 HE1 0.17 0.17 0.19 -0.04 7.75 8.24