============================================================================= 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 10.955 3.198 -3.442 -99.200 -91.000 TRP 16 1.040 -4.077 -0.663 -2.696 -99.200 -91.000 TRP6 16 1.020 -6.229 -1.150 -3.368 -99.200 -91.000 TYR 26 0.840 -6.547 -6.506 -4.542 -99.200 -91.000 TYR 28 0.840 -1.742 -5.640 -0.900 -99.200 -91.000 TYR 33 0.840 -2.545 0.873 5.959 -99.200 -91.000 TRP 35 1.040 -7.021 10.703 3.685 -99.200 -91.000 TRP6 35 1.020 -8.944 9.438 3.845 -99.200 -91.000 TYR 41 0.840 6.481 -2.873 1.251 -99.200 -91.000 HIS 43 0.900 8.256 -5.013 -1.595 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2bdsA42 ALA 1 HA -0.20 0.16 0.20 -0.75 4.34 3.75 2bdsA42 ALA 1 HB3 -0.25 -0.02 -0.09 -0.04 1.41 1.01 2bdsA42 ALA 2 H -0.10 0.14 0.18 -0.55 8.40 8.08 2bdsA42 ALA 2 HA -0.09 0.07 0.38 -0.75 4.34 3.94 2bdsA42 ALA 2 HB3 -0.08 -0.02 0.10 -0.04 1.41 1.37 2bdsA42 PRO 3 HA -0.17 0.25 0.71 -0.51 4.44 4.73 2bdsA42 PRO 3 HB2 -0.26 0.05 0.28 -0.04 2.28 2.31 2bdsA42 PRO 3 HB3 -0.15 0.01 0.14 -0.04 2.02 1.99 2bdsA42 PRO 3 HG2 -0.16 -0.01 0.09 -0.04 2.03 1.92 2bdsA42 PRO 3 HG3 -0.10 0.02 0.09 -0.04 2.03 2.00 2bdsA42 PRO 3 HD2 -0.12 0.02 0.17 -0.04 3.68 3.71 2bdsA42 PRO 3 HD3 -0.10 0.16 0.17 -0.04 3.65 3.84 2bdsA42 CYS 4 H -0.15 0.74 -0.64 -0.55 8.50 7.90 2bdsA42 CYS 4 HA -0.41 -0.00 0.28 -0.75 4.58 3.69 2bdsA42 CYS 4 HB2 -0.06 -0.05 0.00 -0.04 2.97 2.82 2bdsA42 CYS 4 HB3 -0.07 0.03 0.00 -0.04 2.97 2.89 2bdsA42 PHE 5 H -0.24 0.02 0.10 -0.55 8.34 7.67 2bdsA42 PHE 5 HA 0.14 0.08 0.11 -0.75 4.62 4.20 2bdsA42 PHE 5 HB2 0.02 0.01 -0.07 -0.04 3.15 3.06 2bdsA42 PHE 5 HB3 0.07 0.14 0.02 -0.04 3.06 3.25 2bdsA42 PHE 5 HD2 0.02 -0.13 0.06 -0.04 7.28 7.18 2bdsA42 PHE 5 HE2 0.00 -0.04 0.06 -0.04 7.38 7.36 2bdsA42 PHE 5 HZ -0.00 -0.04 0.04 -0.04 7.32 7.27 2bdsA42 CYS 6 H 0.10 0.33 -0.02 -0.55 8.50 8.36 2bdsA42 CYS 6 HA -0.10 0.19 0.71 -0.75 4.58 4.62 2bdsA42 CYS 6 HB2 -1.44 0.09 -0.04 -0.04 2.97 1.53 2bdsA42 CYS 6 HB3 -0.48 -0.03 0.03 -0.04 2.97 2.45 2bdsA42 SER 7 H -0.14 0.13 0.08 -0.55 8.46 7.99 2bdsA42 SER 7 HA -0.02 0.05 0.40 -0.75 4.49 4.16 2bdsA42 SER 7 HB2 -0.04 0.02 0.16 -0.04 3.95 4.04 2bdsA42 SER 7 HB3 -0.02 0.03 0.05 -0.04 3.93 3.95 2bdsA42 GLY 8 H -0.02 0.18 0.20 -0.55 8.43 8.25 2bdsA42 GLY 8 HA2 -0.01 -0.01 0.32 -0.51 4.01 3.80 2bdsA42 GLY 8 HA3 -0.01 0.04 0.33 -0.51 4.01 3.86 2bdsA42 LYS 9 H -0.03 0.03 -1.64 -0.55 8.42 6.23 2bdsA42 LYS 9 HA 0.08 0.17 0.63 -0.75 4.32 4.44 2bdsA42 LYS 9 HB2 -0.20 -0.22 -0.15 -0.04 1.87 1.25 2bdsA42 LYS 9 HB3 0.25 0.13 -0.11 -0.04 1.79 2.02 2bdsA42 LYS 9 HG2 0.13 0.03 -0.02 -0.04 1.46 1.56 2bdsA42 LYS 9 HG3 0.00 0.05 -0.16 -0.04 1.46 1.32 2bdsA42 LYS 9 HD2 -0.18 -0.01 -0.05 -0.04 1.69 1.40 2bdsA42 LYS 9 HD3 -0.61 -0.01 -0.06 -0.04 1.68 0.96 2bdsA42 LYS 9 HE2 0.19 0.06 -0.01 -0.04 2.99 3.19 2bdsA42 LYS 9 HE3 0.04 0.00 -0.03 -0.04 2.99 2.97 2bdsA42 PRO 10 HA 0.11 0.05 0.50 -0.51 4.44 4.59 2bdsA42 PRO 10 HB2 0.13 0.02 -0.06 -0.04 2.28 2.33 2bdsA42 PRO 10 HB3 0.05 0.00 0.09 -0.04 2.02 2.12 2bdsA42 PRO 10 HG2 0.09 0.01 0.07 -0.04 2.03 2.16 2bdsA42 PRO 10 HG3 0.05 0.03 0.08 -0.04 2.03 2.14 2bdsA42 PRO 10 HD2 0.13 0.07 0.25 -0.04 3.68 4.08 2bdsA42 PRO 10 HD3 0.06 0.38 0.28 -0.04 3.65 4.33 2bdsA42 GLY 11 H 0.38 0.09 0.13 -0.55 8.43 8.48 2bdsA42 GLY 11 HA2 0.29 -0.03 0.63 -0.51 4.01 4.39 2bdsA42 GLY 11 HA3 0.23 0.12 0.13 -0.51 4.01 3.98 2bdsA42 ARG 12 H -1.20 0.27 0.10 -0.55 8.46 7.09 2bdsA42 ARG 12 HA -0.36 0.30 0.03 -0.75 4.34 3.55 2bdsA42 ARG 12 HB2 -0.26 -0.05 0.05 -0.04 1.90 1.60 2bdsA42 ARG 12 HB3 -0.28 0.08 -0.27 -0.04 1.80 1.29 2bdsA42 ARG 12 HG2 -0.24 -0.05 -0.11 -0.04 1.67 1.24 2bdsA42 ARG 12 HG3 -0.94 -0.02 0.05 -0.04 1.67 0.72 2bdsA42 ARG 12 HD2 -0.12 0.03 -0.12 -0.04 3.22 2.97 2bdsA42 ARG 12 HD3 -0.06 -0.09 -0.09 -0.04 3.22 2.93 2bdsA42 GLY 13 H -0.13 0.28 -0.22 -0.55 8.43 7.82 2bdsA42 GLY 13 HA2 -0.05 0.19 0.52 -0.51 4.01 4.16 2bdsA42 GLY 13 HA3 0.21 -0.02 -0.05 -0.51 4.01 3.64 2bdsA42 ASP 14 H 0.04 0.50 0.19 -0.55 8.40 8.58 2bdsA42 ASP 14 HA -0.02 0.26 0.53 -0.75 4.63 4.64 2bdsA42 ASP 14 HB2 0.26 -0.06 0.25 -0.04 2.71 3.11 2bdsA42 ASP 14 HB3 0.02 -0.02 -0.01 -0.04 2.70 2.65 2bdsA42 LEU 15 H -0.09 0.32 -0.19 -0.55 8.37 7.86 2bdsA42 LEU 15 HA 0.03 0.24 0.64 -0.75 4.35 4.51 2bdsA42 LEU 15 HB2 -0.05 0.09 0.09 -0.04 1.64 1.72 2bdsA42 LEU 15 HB3 -0.07 -0.31 0.30 -0.04 1.64 1.51 2bdsA42 LEU 15 HG 0.00 0.03 -0.26 -0.04 1.64 1.37 2bdsA42 LEU 15 HD13 -0.02 -0.01 -0.06 -0.04 0.93 0.81 2bdsA42 LEU 15 HD23 -0.03 -0.01 -0.21 -0.04 0.89 0.60 2bdsA42 TRP 16 H 0.30 0.68 0.50 -0.55 7.97 8.89 2bdsA42 TRP 16 HA -0.06 -0.01 0.54 -0.75 4.62 4.33 2bdsA42 TRP 16 HB2 -0.12 0.23 0.23 -0.04 3.23 3.53 2bdsA42 TRP 16 HB3 -0.08 -0.09 -0.05 -0.04 3.23 2.97 2bdsA42 TRP 16 HD1 -0.17 0.32 0.19 -0.04 7.22 7.51 2bdsA42 TRP 16 HE1 0.12 -0.02 0.02 -0.04 10.20 10.28 2bdsA42 TRP 16 HE3 -0.08 -0.06 -0.01 -0.04 7.59 7.41 2bdsA42 TRP 16 HZ2 -0.57 -0.01 0.02 -0.04 7.44 6.83 2bdsA42 TRP 16 HZ3 -0.09 0.00 0.01 -0.04 7.13 7.01 2bdsA42 TRP 16 HH2 -0.35 -0.02 0.02 -0.04 7.19 6.80 2bdsA42 ILE 17 H 0.00 0.13 0.20 -0.55 8.25 8.03 2bdsA42 ILE 17 HA -0.04 0.10 0.51 -0.75 4.18 4.01 2bdsA42 ILE 17 HB -0.06 -0.00 0.02 -0.04 1.89 1.81 2bdsA42 ILE 17 HG12 -0.09 0.20 -0.05 -0.04 1.49 1.52 2bdsA42 ILE 17 HG13 -0.12 -0.05 0.17 -0.04 1.21 1.17 2bdsA42 ILE 17 HG23 -0.06 -0.00 0.07 -0.04 0.93 0.89 2bdsA42 ILE 17 HD13 -0.08 -0.01 0.04 -0.04 0.88 0.79 2bdsA42 LEU 18 H 0.07 -0.04 -0.17 -0.55 8.37 7.68 2bdsA42 LEU 18 HA -0.27 0.29 0.90 -0.75 4.35 4.51 2bdsA42 LEU 18 HB2 -0.02 -0.09 0.06 -0.04 1.64 1.56 2bdsA42 LEU 18 HB3 -0.08 -0.03 0.21 -0.04 1.64 1.70 2bdsA42 LEU 18 HG -0.11 0.20 -0.51 -0.04 1.64 1.18 2bdsA42 LEU 18 HD13 -0.05 -0.02 -0.03 -0.04 0.93 0.79 2bdsA42 LEU 18 HD23 -0.15 -0.01 0.05 -0.04 0.89 0.74 2bdsA42 ARG 19 H -0.13 0.59 0.04 -0.55 8.46 8.41 2bdsA42 ARG 19 HA -0.03 0.07 0.59 -0.75 4.34 4.21 2bdsA42 ARG 19 HB2 0.10 -0.15 -0.34 -0.04 1.90 1.47 2bdsA42 ARG 19 HB3 -0.05 0.12 -0.11 -0.04 1.80 1.72 2bdsA42 ARG 19 HG2 -0.03 -0.17 0.17 -0.04 1.67 1.60 2bdsA42 ARG 19 HG3 0.02 0.25 0.21 -0.04 1.67 2.10 2bdsA42 ARG 19 HD2 0.06 -0.07 -0.03 -0.04 3.22 3.14 2bdsA42 ARG 19 HD3 -0.42 0.19 0.07 -0.04 3.22 3.02 2bdsA42 GLY 20 H 0.10 0.05 0.17 -0.55 8.43 8.21 2bdsA42 GLY 20 HA2 0.30 0.21 0.78 -0.51 4.01 4.79 2bdsA42 GLY 20 HA3 0.25 0.00 0.29 -0.51 4.01 4.04 2bdsA42 THR 21 H 0.04 -0.08 0.15 -0.55 8.28 7.84 2bdsA42 THR 21 HA 0.11 0.21 0.78 -0.75 4.39 4.74 2bdsA42 THR 21 HB -0.04 0.08 -0.09 -0.04 4.32 4.23 2bdsA42 THR 21 HG23 -0.05 0.02 -0.10 -0.04 1.22 1.05 2bdsA42 CYS 22 H 0.04 0.17 0.03 -0.55 8.50 8.20 2bdsA42 CYS 22 HA -0.68 0.21 0.79 -0.75 4.58 4.14 2bdsA42 CYS 22 HB2 -0.16 -0.02 -0.08 -0.04 2.97 2.66 2bdsA42 CYS 22 HB3 -0.04 0.04 -0.16 -0.04 2.97 2.76 2bdsA42 PRO 23 HA -0.15 0.04 0.36 -0.51 4.44 4.18 2bdsA42 PRO 23 HB2 -0.14 -0.13 0.02 -0.04 2.28 1.98 2bdsA42 PRO 23 HB3 -0.19 0.08 0.10 -0.04 2.02 1.97 2bdsA42 PRO 23 HG2 -0.94 0.03 0.09 -0.04 2.03 1.17 2bdsA42 PRO 23 HG3 -0.68 0.10 0.08 -0.04 2.03 1.48 2bdsA42 PRO 23 HD2 -0.97 0.10 0.19 -0.04 3.68 2.96 2bdsA42 PRO 23 HD3 -1.33 0.22 0.19 -0.04 3.65 2.69 2bdsA42 GLY 24 H -0.02 0.16 0.21 -0.55 8.43 8.24 2bdsA42 GLY 24 HA2 0.04 0.22 0.54 -0.51 4.01 4.31 2bdsA42 GLY 24 HA3 0.02 0.06 0.34 -0.51 4.01 3.91 2bdsA42 GLY 25 H 0.06 -0.02 -0.20 -0.55 8.43 7.72 2bdsA42 GLY 25 HA2 0.06 0.16 0.43 -0.51 4.01 4.14 2bdsA42 GLY 25 HA3 0.11 -0.00 0.24 -0.51 4.01 3.85 2bdsA42 TYR 26 H 0.21 0.08 -0.64 -0.55 8.29 7.38 2bdsA42 TYR 26 HA -0.05 0.12 0.55 -0.75 4.56 4.42 2bdsA42 TYR 26 HB2 -0.04 0.14 0.13 -0.04 3.06 3.25 2bdsA42 TYR 26 HB3 -0.45 -0.01 -0.02 -0.04 2.98 2.46 2bdsA42 TYR 26 HD2 0.16 -0.06 -0.15 -0.04 7.15 7.06 2bdsA42 TYR 26 HE2 0.21 0.01 -0.03 -0.04 6.85 7.00 2bdsA42 GLY 27 H -0.01 0.10 0.02 -0.55 8.43 7.99 2bdsA42 GLY 27 HA2 -0.02 0.07 0.23 -0.51 4.01 3.78 2bdsA42 GLY 27 HA3 -0.11 0.12 0.63 -0.51 4.01 4.13 2bdsA42 TYR 28 H -0.25 -0.08 0.08 -0.55 8.29 7.49 2bdsA42 TYR 28 HA 0.07 0.07 0.46 -0.75 4.56 4.40 2bdsA42 TYR 28 HB2 0.01 -0.03 -0.11 -0.04 3.06 2.89 2bdsA42 TYR 28 HB3 0.05 0.14 0.08 -0.04 2.98 3.21 2bdsA42 TYR 28 HD2 0.03 0.05 -0.19 -0.04 7.15 6.99 2bdsA42 TYR 28 HE2 0.30 -0.01 -0.08 -0.04 6.85 7.02 2bdsA42 THR 29 H 0.22 0.17 0.18 -0.55 8.28 8.30 2bdsA42 THR 29 HA 0.11 0.09 0.49 -0.75 4.39 4.32 2bdsA42 THR 29 HB 0.07 -0.03 0.02 -0.04 4.32 4.33 2bdsA42 THR 29 HG23 0.07 0.06 -0.14 -0.04 1.22 1.17 2bdsA42 SER 30 H 0.15 0.08 0.13 -0.55 8.46 8.27 2bdsA42 SER 30 HA 0.10 0.16 0.77 -0.75 4.49 4.76 2bdsA42 SER 30 HB2 0.12 0.05 0.00 -0.04 3.95 4.08 2bdsA42 SER 30 HB3 0.10 0.02 0.05 -0.04 3.93 4.07 2bdsA42 ASN 31 H 0.12 0.30 0.17 -0.55 8.53 8.58 2bdsA42 ASN 31 HA -0.05 -0.07 0.94 -0.75 4.76 4.83 2bdsA42 ASN 31 HB2 -0.79 0.09 -0.26 -0.04 2.88 1.89 2bdsA42 ASN 31 HB3 -0.28 -0.03 -0.04 -0.04 2.79 2.40 2bdsA42 ASN 31 HD21 0.08 -0.05 -0.23 -0.04 7.03 6.79 2bdsA42 ASN 31 HD22 0.11 -0.12 -0.53 -0.04 7.74 7.16 2bdsA42 CYS 32 H -0.20 0.42 0.22 -0.55 8.50 8.39 2bdsA42 CYS 32 HA 0.02 0.15 0.96 -0.75 4.58 4.95 2bdsA42 CYS 32 HB2 -0.04 0.03 -0.07 -0.04 2.97 2.85 2bdsA42 CYS 32 HB3 -0.08 -0.10 0.11 -0.04 2.97 2.86 2bdsA42 TYR 33 H 0.18 0.19 0.17 -0.55 8.29 8.27 2bdsA42 TYR 33 HA 0.03 0.13 0.85 -0.75 4.56 4.81 2bdsA42 TYR 33 HB2 0.03 -0.02 0.11 -0.04 3.06 3.13 2bdsA42 TYR 33 HB3 0.06 0.04 0.01 -0.04 2.98 3.05 2bdsA42 TYR 33 HD2 -0.00 0.00 -0.16 -0.04 7.15 6.95 2bdsA42 TYR 33 HE2 -0.06 -0.06 -0.19 -0.04 6.85 6.50 2bdsA42 LYS 34 H 0.13 0.40 0.02 -0.55 8.42 8.41 2bdsA42 LYS 34 HA 0.15 0.10 0.65 -0.75 4.32 4.46 2bdsA42 LYS 34 HB2 0.08 0.05 0.10 -0.04 1.87 2.05 2bdsA42 LYS 34 HB3 0.07 0.04 -0.07 -0.04 1.79 1.79 2bdsA42 LYS 34 HG2 0.05 0.03 -0.33 -0.04 1.46 1.16 2bdsA42 LYS 34 HG3 0.04 0.01 -0.13 -0.04 1.46 1.34 2bdsA42 LYS 34 HD2 0.03 -0.03 -0.72 -0.04 1.69 0.94 2bdsA42 LYS 34 HD3 -0.00 -0.17 -0.22 -0.04 1.68 1.24 2bdsA42 LYS 34 HE2 0.03 0.01 -0.13 -0.04 2.99 2.85 2bdsA42 LYS 34 HE3 0.04 0.02 -0.14 -0.04 2.99 2.87 2bdsA42 TRP 35 H 0.32 0.03 0.00 -0.55 7.97 7.78 2bdsA42 TRP 35 HA 0.05 0.13 0.26 -0.75 4.62 4.31 2bdsA42 TRP 35 HB2 0.04 0.01 0.09 -0.04 3.23 3.33 2bdsA42 TRP 35 HB3 0.03 -0.03 0.03 -0.04 3.23 3.22 2bdsA42 TRP 35 HD1 0.02 0.02 -0.56 -0.04 7.22 6.66 2bdsA42 TRP 35 HE1 0.02 -0.02 -0.04 -0.04 10.20 10.11 2bdsA42 TRP 35 HE3 0.03 0.04 -0.11 -0.04 7.59 7.51 2bdsA42 TRP 35 HZ2 0.01 -0.01 -0.02 -0.04 7.44 7.38 2bdsA42 TRP 35 HZ3 0.01 -0.07 -0.12 -0.04 7.13 6.91 2bdsA42 TRP 35 HH2 0.01 -0.02 -0.04 -0.04 7.19 7.10 2bdsA42 PRO 36 HA -2.05 -0.01 0.31 -0.51 4.44 2.17 2bdsA42 PRO 36 HB2 -0.42 0.25 0.14 -0.04 2.28 2.20 2bdsA42 PRO 36 HB3 -0.89 -0.05 0.15 -0.04 2.02 1.19 2bdsA42 PRO 36 HG2 -0.14 0.04 0.12 -0.04 2.03 2.01 2bdsA42 PRO 36 HG3 -0.12 -0.03 0.10 -0.04 2.03 1.95 2bdsA42 PRO 36 HD2 -0.02 0.11 0.39 -0.04 3.68 4.13 2bdsA42 PRO 36 HD3 0.15 0.06 0.14 -0.04 3.65 3.96 2bdsA42 ASN 37 H -0.06 0.37 -0.20 -0.55 8.53 8.09 2bdsA42 ASN 37 HA -0.04 -0.00 0.54 -0.75 4.76 4.50 2bdsA42 ASN 37 HB2 0.01 -0.00 -0.09 -0.04 2.88 2.76 2bdsA42 ASN 37 HB3 -0.01 0.08 0.09 -0.04 2.79 2.92 2bdsA42 ASN 37 HD21 -0.06 -0.03 -0.00 -0.04 7.03 6.90 2bdsA42 ASN 37 HD22 -0.05 -0.05 0.01 -0.04 7.74 7.61 2bdsA42 ILE 38 H 0.05 0.57 0.12 -0.55 8.25 8.45 2bdsA42 ILE 38 HA -0.01 -0.12 0.45 -0.75 4.18 3.74 2bdsA42 ILE 38 HB -0.02 -0.02 0.03 -0.04 1.89 1.83 2bdsA42 ILE 38 HG12 -0.15 -0.11 -0.36 -0.04 1.49 0.83 2bdsA42 ILE 38 HG13 -0.42 0.30 -0.41 -0.04 1.21 0.64 2bdsA42 ILE 38 HG23 0.06 0.06 -0.47 -0.04 0.93 0.54 2bdsA42 ILE 38 HD13 -0.66 -0.03 -0.42 -0.04 0.88 -0.26 2bdsA42 CYS 39 H -0.07 0.25 0.02 -0.55 8.50 8.16 2bdsA42 CYS 39 HA 0.05 0.39 0.78 -0.75 4.58 5.04 2bdsA42 CYS 39 HB2 0.04 0.10 -0.23 -0.04 2.97 2.85 2bdsA42 CYS 39 HB3 -0.00 0.05 -0.30 -0.04 2.97 2.68 2bdsA42 CYS 40 H 0.05 0.61 0.15 -0.55 8.50 8.76 2bdsA42 CYS 40 HA -0.28 -0.06 0.43 -0.75 4.58 3.92 2bdsA42 CYS 40 HB2 -0.34 0.06 0.06 -0.04 2.97 2.70 2bdsA42 CYS 40 HB3 -0.87 -0.05 0.14 -0.04 2.97 2.16 2bdsA42 TYR 41 H 0.04 0.06 0.47 -0.55 8.29 8.31 2bdsA42 TYR 41 HA 0.13 0.18 0.49 -0.75 4.56 4.61 2bdsA42 TYR 41 HB2 0.01 -0.17 0.04 -0.04 3.06 2.90 2bdsA42 TYR 41 HB3 0.07 -0.07 0.13 -0.04 2.98 3.06 2bdsA42 TYR 41 HD2 0.05 -0.14 -0.24 -0.04 7.15 6.78 2bdsA42 TYR 41 HE2 0.13 0.00 -0.36 -0.04 6.85 6.58 2bdsA42 PRO 42 HA 0.19 0.05 0.37 -0.51 4.44 4.54 2bdsA42 PRO 42 HB2 -0.01 0.01 0.08 -0.04 2.28 2.32 2bdsA42 PRO 42 HB3 0.03 0.04 0.09 -0.04 2.02 2.14 2bdsA42 PRO 42 HG2 0.07 0.06 0.09 -0.04 2.03 2.21 2bdsA42 PRO 42 HG3 0.09 0.01 0.14 -0.04 2.03 2.23 2bdsA42 PRO 42 HD2 0.29 0.09 0.08 -0.04 3.68 4.10 2bdsA42 PRO 42 HD3 0.21 -0.21 0.53 -0.04 3.65 4.13 2bdsA42 HIS 43 H 0.05 0.06 -0.00 -0.55 8.41 7.98 2bdsA42 HIS 43 HA -0.09 0.03 0.19 -0.75 4.63 4.01 2bdsA42 HIS 43 HB2 -0.25 -0.06 0.06 -0.04 3.26 2.97 2bdsA42 HIS 43 HB3 -0.75 -0.00 -0.20 -0.04 3.20 2.21 2bdsA42 HIS 43 HD2 -0.11 -0.06 0.06 -0.04 6.97 6.80 2bdsA42 HIS 43 HE1 0.20 0.24 0.14 -0.04 7.75 8.28