============================================================================= 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 10.407 4.039 -3.063 -99.200 -91.000 TRP 16 1.040 -4.076 -0.967 -2.846 -99.200 -91.000 TRP6 16 1.020 -6.209 -1.535 -3.533 -99.200 -91.000 TYR 26 0.840 -5.061 -6.596 -4.754 -99.200 -91.000 TYR 28 0.840 -1.836 -5.559 -0.580 -99.200 -91.000 TYR 33 0.840 -2.363 1.232 5.994 -99.200 -91.000 TRP 35 1.040 -6.956 7.997 4.523 -99.200 -91.000 TRP6 35 1.020 -8.700 9.428 5.053 -99.200 -91.000 TYR 41 0.840 6.385 -3.105 1.083 -99.200 -91.000 HIS 43 0.900 8.972 -5.057 -2.172 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2bdsA6 ALA 1 HA -0.21 0.22 0.30 -0.75 4.34 3.89 2bdsA6 ALA 1 HB3 -0.25 -0.02 -0.07 -0.04 1.41 1.02 2bdsA6 ALA 2 H -0.10 0.14 0.20 -0.55 8.40 8.09 2bdsA6 ALA 2 HA -0.09 0.06 0.40 -0.75 4.34 3.96 2bdsA6 ALA 2 HB3 -0.09 -0.02 0.09 -0.04 1.41 1.36 2bdsA6 PRO 3 HA -0.15 0.30 0.74 -0.51 4.44 4.82 2bdsA6 PRO 3 HB2 -0.23 0.04 0.29 -0.04 2.28 2.34 2bdsA6 PRO 3 HB3 -0.14 0.02 0.14 -0.04 2.02 2.01 2bdsA6 PRO 3 HG2 -0.13 -0.01 0.11 -0.04 2.03 1.96 2bdsA6 PRO 3 HG3 -0.09 0.02 0.10 -0.04 2.03 2.02 2bdsA6 PRO 3 HD2 -0.11 0.02 0.19 -0.04 3.68 3.74 2bdsA6 PRO 3 HD3 -0.09 0.17 0.17 -0.04 3.65 3.86 2bdsA6 CYS 4 H -0.15 0.72 -0.43 -0.55 8.50 8.09 2bdsA6 CYS 4 HA -0.56 0.04 0.40 -0.75 4.58 3.71 2bdsA6 CYS 4 HB2 -0.08 -0.04 -0.01 -0.04 2.97 2.80 2bdsA6 CYS 4 HB3 -0.07 0.04 -0.02 -0.04 2.97 2.87 2bdsA6 PHE 5 H -0.37 0.04 0.07 -0.55 8.34 7.52 2bdsA6 PHE 5 HA 0.13 0.08 -0.00 -0.75 4.62 4.08 2bdsA6 PHE 5 HB2 0.01 0.00 -0.05 -0.04 3.15 3.07 2bdsA6 PHE 5 HB3 0.04 0.05 0.06 -0.04 3.06 3.17 2bdsA6 PHE 5 HD2 0.01 -0.11 0.03 -0.04 7.28 7.17 2bdsA6 PHE 5 HE2 0.00 -0.02 0.07 -0.04 7.38 7.39 2bdsA6 PHE 5 HZ 0.00 -0.03 0.04 -0.04 7.32 7.29 2bdsA6 CYS 6 H 0.11 0.43 0.08 -0.55 8.50 8.58 2bdsA6 CYS 6 HA -0.04 0.17 0.67 -0.75 4.58 4.62 2bdsA6 CYS 6 HB2 -1.07 0.05 -0.17 -0.04 2.97 1.74 2bdsA6 CYS 6 HB3 -0.43 0.01 -0.20 -0.04 2.97 2.31 2bdsA6 SER 7 H -0.10 0.17 0.06 -0.55 8.46 8.05 2bdsA6 SER 7 HA -0.02 0.08 0.48 -0.75 4.49 4.27 2bdsA6 SER 7 HB2 -0.02 0.04 0.01 -0.04 3.95 3.94 2bdsA6 SER 7 HB3 -0.01 0.03 0.05 -0.04 3.93 3.96 2bdsA6 GLY 8 H -0.02 0.21 0.16 -0.55 8.43 8.23 2bdsA6 GLY 8 HA2 -0.01 -0.00 0.33 -0.51 4.01 3.82 2bdsA6 GLY 8 HA3 -0.02 0.17 0.68 -0.51 4.01 4.33 2bdsA6 LYS 9 H -0.06 0.16 -0.79 -0.55 8.42 7.18 2bdsA6 LYS 9 HA 0.07 0.25 0.87 -0.75 4.32 4.76 2bdsA6 LYS 9 HB2 -0.34 -0.15 -0.10 -0.04 1.87 1.24 2bdsA6 LYS 9 HB3 0.26 0.10 -0.10 -0.04 1.79 2.01 2bdsA6 LYS 9 HG2 0.14 0.01 -0.08 -0.04 1.46 1.49 2bdsA6 LYS 9 HG3 -0.01 0.09 -0.38 -0.04 1.46 1.12 2bdsA6 LYS 9 HD2 -0.24 0.07 -0.30 -0.04 1.69 1.17 2bdsA6 LYS 9 HD3 -0.91 -0.04 -0.17 -0.04 1.68 0.52 2bdsA6 LYS 9 HE2 0.04 -0.05 -0.09 -0.04 2.99 2.85 2bdsA6 LYS 9 HE3 0.01 0.03 -0.10 -0.04 2.99 2.89 2bdsA6 PRO 10 HA 0.10 0.04 0.57 -0.51 4.44 4.64 2bdsA6 PRO 10 HB2 0.10 0.04 -0.05 -0.04 2.28 2.33 2bdsA6 PRO 10 HB3 0.04 0.01 0.09 -0.04 2.02 2.11 2bdsA6 PRO 10 HG2 0.07 0.04 0.07 -0.04 2.03 2.16 2bdsA6 PRO 10 HG3 0.04 0.02 0.02 -0.04 2.03 2.07 2bdsA6 PRO 10 HD2 0.11 0.11 0.23 -0.04 3.68 4.09 2bdsA6 PRO 10 HD3 0.05 0.26 -0.07 -0.04 3.65 3.85 2bdsA6 GLY 11 H 0.31 0.09 0.12 -0.55 8.43 8.41 2bdsA6 GLY 11 HA2 0.30 -0.03 0.62 -0.51 4.01 4.40 2bdsA6 GLY 11 HA3 0.20 0.06 0.09 -0.51 4.01 3.84 2bdsA6 ARG 12 H -0.50 0.25 0.02 -0.55 8.46 7.68 2bdsA6 ARG 12 HA -0.30 0.26 0.07 -0.75 4.34 3.62 2bdsA6 ARG 12 HB2 -0.23 -0.01 0.01 -0.04 1.90 1.63 2bdsA6 ARG 12 HB3 -0.25 0.12 -0.18 -0.04 1.80 1.45 2bdsA6 ARG 12 HG2 -0.39 -0.03 -0.15 -0.04 1.67 1.05 2bdsA6 ARG 12 HG3 -1.24 -0.03 0.06 -0.04 1.67 0.42 2bdsA6 ARG 12 HD2 -0.12 0.02 -0.07 -0.04 3.22 3.00 2bdsA6 ARG 12 HD3 -0.05 -0.08 -0.06 -0.04 3.22 2.99 2bdsA6 GLY 13 H -0.12 0.20 -0.20 -0.55 8.43 7.76 2bdsA6 GLY 13 HA2 -0.15 0.08 0.52 -0.51 4.01 3.95 2bdsA6 GLY 13 HA3 0.20 0.01 0.07 -0.51 4.01 3.78 2bdsA6 ASP 14 H 0.06 0.61 0.20 -0.55 8.40 8.73 2bdsA6 ASP 14 HA -0.01 0.26 0.54 -0.75 4.63 4.66 2bdsA6 ASP 14 HB2 0.30 -0.09 0.24 -0.04 2.71 3.12 2bdsA6 ASP 14 HB3 0.07 -0.02 -0.02 -0.04 2.70 2.70 2bdsA6 LEU 15 H -0.09 0.37 -0.16 -0.55 8.37 7.94 2bdsA6 LEU 15 HA 0.03 0.17 0.94 -0.75 4.35 4.74 2bdsA6 LEU 15 HB2 -0.05 0.01 0.08 -0.04 1.64 1.63 2bdsA6 LEU 15 HB3 -0.08 -0.34 0.31 -0.04 1.64 1.49 2bdsA6 LEU 15 HG -0.01 0.18 -0.34 -0.04 1.64 1.43 2bdsA6 LEU 15 HD13 0.01 -0.01 -0.25 -0.04 0.93 0.64 2bdsA6 LEU 15 HD23 -0.04 -0.03 0.00 -0.04 0.89 0.78 2bdsA6 TRP 16 H 0.29 0.42 0.50 -0.55 7.97 8.63 2bdsA6 TRP 16 HA -0.07 0.04 0.65 -0.75 4.62 4.50 2bdsA6 TRP 16 HB2 -0.11 0.15 0.17 -0.04 3.23 3.39 2bdsA6 TRP 16 HB3 -0.07 -0.10 0.03 -0.04 3.23 3.06 2bdsA6 TRP 16 HD1 -0.19 0.27 0.10 -0.04 7.22 7.35 2bdsA6 TRP 16 HE1 -0.03 0.01 -0.00 -0.04 10.20 10.13 2bdsA6 TRP 16 HE3 -0.06 -0.07 0.05 -0.04 7.59 7.48 2bdsA6 TRP 16 HZ2 -1.24 -0.01 0.02 -0.04 7.44 6.17 2bdsA6 TRP 16 HZ3 -0.05 -0.00 0.03 -0.04 7.13 7.07 2bdsA6 TRP 16 HH2 -0.14 -0.02 0.02 -0.04 7.19 7.01 2bdsA6 ILE 17 H 0.10 0.11 0.18 -0.55 8.25 8.09 2bdsA6 ILE 17 HA 0.01 0.16 0.64 -0.75 4.18 4.23 2bdsA6 ILE 17 HB -0.03 0.00 0.04 -0.04 1.89 1.86 2bdsA6 ILE 17 HG12 -0.07 0.00 0.02 -0.04 1.49 1.40 2bdsA6 ILE 17 HG13 -0.08 0.14 -0.22 -0.04 1.21 1.02 2bdsA6 ILE 17 HG23 -0.04 0.00 0.07 -0.04 0.93 0.92 2bdsA6 ILE 17 HD13 -0.11 -0.01 0.11 -0.04 0.88 0.83 2bdsA6 LEU 18 H 0.10 -0.02 -0.06 -0.55 8.37 7.85 2bdsA6 LEU 18 HA -0.16 0.29 0.74 -0.75 4.35 4.46 2bdsA6 LEU 18 HB2 0.01 -0.08 0.04 -0.04 1.64 1.56 2bdsA6 LEU 18 HB3 -0.06 -0.01 0.19 -0.04 1.64 1.71 2bdsA6 LEU 18 HG -0.08 0.33 -0.41 -0.04 1.64 1.44 2bdsA6 LEU 18 HD13 -0.03 -0.02 -0.06 -0.04 0.93 0.77 2bdsA6 LEU 18 HD23 -0.13 -0.01 0.02 -0.04 0.89 0.73 2bdsA6 ARG 19 H -0.01 0.49 0.14 -0.55 8.46 8.53 2bdsA6 ARG 19 HA 0.12 0.08 0.76 -0.75 4.34 4.55 2bdsA6 ARG 19 HB2 0.12 -0.15 -0.19 -0.04 1.90 1.65 2bdsA6 ARG 19 HB3 0.07 0.16 -0.02 -0.04 1.80 1.97 2bdsA6 ARG 19 HG2 0.06 -0.09 0.15 -0.04 1.67 1.76 2bdsA6 ARG 19 HG3 0.09 0.17 -0.09 -0.04 1.67 1.80 2bdsA6 ARG 19 HD2 0.07 -0.08 -0.01 -0.04 3.22 3.15 2bdsA6 ARG 19 HD3 -0.24 0.23 0.08 -0.04 3.22 3.25 2bdsA6 GLY 20 H 0.35 0.12 0.16 -0.55 8.43 8.51 2bdsA6 GLY 20 HA2 0.53 0.21 0.76 -0.51 4.01 5.00 2bdsA6 GLY 20 HA3 0.30 0.00 0.30 -0.51 4.01 4.10 2bdsA6 THR 21 H 0.16 -0.01 0.07 -0.55 8.28 7.95 2bdsA6 THR 21 HA 0.16 0.20 0.72 -0.75 4.39 4.72 2bdsA6 THR 21 HB -0.00 0.08 -0.11 -0.04 4.32 4.24 2bdsA6 THR 21 HG23 -0.02 0.02 -0.08 -0.04 1.22 1.09 2bdsA6 CYS 22 H 0.04 0.18 0.05 -0.55 8.50 8.22 2bdsA6 CYS 22 HA -0.56 0.20 0.82 -0.75 4.58 4.28 2bdsA6 CYS 22 HB2 -0.20 -0.03 -0.08 -0.04 2.97 2.63 2bdsA6 CYS 22 HB3 -0.09 0.05 -0.14 -0.04 2.97 2.75 2bdsA6 PRO 23 HA -0.07 0.09 0.38 -0.51 4.44 4.33 2bdsA6 PRO 23 HB2 0.07 -0.21 0.04 -0.04 2.28 2.14 2bdsA6 PRO 23 HB3 -0.04 0.11 0.11 -0.04 2.02 2.16 2bdsA6 PRO 23 HG2 -0.30 0.02 0.10 -0.04 2.03 1.81 2bdsA6 PRO 23 HG3 -0.52 0.10 0.09 -0.04 2.03 1.66 2bdsA6 PRO 23 HD2 -0.87 0.11 0.19 -0.04 3.68 3.07 2bdsA6 PRO 23 HD3 -1.24 0.20 0.20 -0.04 3.65 2.78 2bdsA6 GLY 24 H 0.01 0.19 0.17 -0.55 8.43 8.26 2bdsA6 GLY 24 HA2 0.05 0.22 0.60 -0.51 4.01 4.37 2bdsA6 GLY 24 HA3 0.03 0.07 0.36 -0.51 4.01 3.97 2bdsA6 GLY 25 H 0.08 -0.05 -0.60 -0.55 8.43 7.32 2bdsA6 GLY 25 HA2 0.03 0.23 0.68 -0.51 4.01 4.45 2bdsA6 GLY 25 HA3 0.09 0.01 0.23 -0.51 4.01 3.83 2bdsA6 TYR 26 H 0.18 0.09 -0.18 -0.55 8.29 7.83 2bdsA6 TYR 26 HA -0.10 0.14 0.54 -0.75 4.56 4.40 2bdsA6 TYR 26 HB2 -0.18 0.03 0.12 -0.04 3.06 2.98 2bdsA6 TYR 26 HB3 -0.99 0.04 -0.07 -0.04 2.98 1.92 2bdsA6 TYR 26 HD2 -0.01 -0.05 -0.06 -0.04 7.15 6.99 2bdsA6 TYR 26 HE2 0.19 0.01 -0.02 -0.04 6.85 6.99 2bdsA6 GLY 27 H -0.02 0.03 -0.21 -0.55 8.43 7.69 2bdsA6 GLY 27 HA2 -0.01 0.05 0.18 -0.51 4.01 3.72 2bdsA6 GLY 27 HA3 -0.07 0.20 0.76 -0.51 4.01 4.38 2bdsA6 TYR 28 H -0.15 -0.08 -0.06 -0.55 8.29 7.45 2bdsA6 TYR 28 HA 0.07 0.12 0.43 -0.75 4.56 4.43 2bdsA6 TYR 28 HB2 0.00 -0.03 -0.10 -0.04 3.06 2.89 2bdsA6 TYR 28 HB3 0.04 0.09 0.05 -0.04 2.98 3.11 2bdsA6 TYR 28 HD2 -0.02 0.08 -0.29 -0.04 7.15 6.88 2bdsA6 TYR 28 HE2 0.01 0.05 -0.11 -0.04 6.85 6.75 2bdsA6 THR 29 H 0.22 0.22 0.21 -0.55 8.28 8.38 2bdsA6 THR 29 HA 0.10 0.07 0.43 -0.75 4.39 4.24 2bdsA6 THR 29 HB 0.07 -0.04 -0.01 -0.04 4.32 4.30 2bdsA6 THR 29 HG23 0.07 0.05 -0.02 -0.04 1.22 1.27 2bdsA6 SER 30 H 0.15 0.10 0.13 -0.55 8.46 8.30 2bdsA6 SER 30 HA 0.09 0.16 0.81 -0.75 4.49 4.79 2bdsA6 SER 30 HB2 0.15 -0.03 -0.04 -0.04 3.95 3.99 2bdsA6 SER 30 HB3 0.08 0.05 0.04 -0.04 3.93 4.06 2bdsA6 ASN 31 H 0.12 0.29 0.17 -0.55 8.53 8.56 2bdsA6 ASN 31 HA -0.04 -0.06 0.97 -0.75 4.76 4.87 2bdsA6 ASN 31 HB2 -0.73 0.12 -0.20 -0.04 2.88 2.03 2bdsA6 ASN 31 HB3 -0.33 -0.06 0.02 -0.04 2.79 2.38 2bdsA6 ASN 31 HD21 0.11 0.10 -0.35 -0.04 7.03 6.86 2bdsA6 ASN 31 HD22 -0.07 0.01 -0.29 -0.04 7.74 7.35 2bdsA6 CYS 32 H -0.18 0.43 0.29 -0.55 8.50 8.50 2bdsA6 CYS 32 HA 0.02 0.12 0.92 -0.75 4.58 4.88 2bdsA6 CYS 32 HB2 -0.03 -0.04 -0.12 -0.04 2.97 2.73 2bdsA6 CYS 32 HB3 -0.02 -0.10 0.12 -0.04 2.97 2.93 2bdsA6 TYR 33 H 0.16 0.18 0.13 -0.55 8.29 8.22 2bdsA6 TYR 33 HA 0.07 0.12 0.93 -0.75 4.56 4.92 2bdsA6 TYR 33 HB2 0.01 -0.03 0.12 -0.04 3.06 3.12 2bdsA6 TYR 33 HB3 0.06 0.04 -0.01 -0.04 2.98 3.03 2bdsA6 TYR 33 HD2 0.02 0.00 -0.21 -0.04 7.15 6.91 2bdsA6 TYR 33 HE2 -0.05 -0.04 -0.22 -0.04 6.85 6.50 2bdsA6 LYS 34 H 0.15 0.33 0.04 -0.55 8.42 8.39 2bdsA6 LYS 34 HA 0.15 0.12 0.82 -0.75 4.32 4.66 2bdsA6 LYS 34 HB2 0.08 -0.02 0.04 -0.04 1.87 1.93 2bdsA6 LYS 34 HB3 0.09 0.02 0.05 -0.04 1.79 1.91 2bdsA6 LYS 34 HG2 0.06 -0.15 -0.43 -0.04 1.46 0.89 2bdsA6 LYS 34 HG3 0.06 0.02 -0.16 -0.04 1.46 1.33 2bdsA6 LYS 34 HD2 0.06 -0.02 -0.10 -0.04 1.69 1.59 2bdsA6 LYS 34 HD3 0.09 0.21 -0.10 -0.04 1.68 1.83 2bdsA6 LYS 34 HE2 0.06 0.01 -0.06 -0.04 2.99 2.96 2bdsA6 LYS 34 HE3 0.07 -0.24 -0.30 -0.04 2.99 2.47 2bdsA6 TRP 35 H 0.36 0.05 -0.09 -0.55 7.97 7.73 2bdsA6 TRP 35 HA 0.05 0.15 0.08 -0.75 4.62 4.15 2bdsA6 TRP 35 HB2 0.04 -0.03 0.09 -0.04 3.23 3.28 2bdsA6 TRP 35 HB3 0.03 0.01 -0.08 -0.04 3.23 3.14 2bdsA6 TRP 35 HD1 0.08 0.23 -0.07 -0.04 7.22 7.42 2bdsA6 TRP 35 HE1 0.04 -0.17 -0.55 -0.04 10.20 9.47 2bdsA6 TRP 35 HE3 0.02 0.01 -0.06 -0.04 7.59 7.51 2bdsA6 TRP 35 HZ2 0.01 -0.04 -0.05 -0.04 7.44 7.32 2bdsA6 TRP 35 HZ3 0.01 -0.01 -0.03 -0.04 7.13 7.06 2bdsA6 TRP 35 HH2 0.01 -0.01 -0.03 -0.04 7.19 7.12 2bdsA6 PRO 36 HA -1.33 0.01 0.28 -0.51 4.44 2.89 2bdsA6 PRO 36 HB2 -0.35 0.10 0.06 -0.04 2.28 2.05 2bdsA6 PRO 36 HB3 -0.73 -0.03 0.11 -0.04 2.02 1.33 2bdsA6 PRO 36 HG2 -0.14 0.05 0.11 -0.04 2.03 2.01 2bdsA6 PRO 36 HG3 -0.19 -0.01 0.09 -0.04 2.03 1.88 2bdsA6 PRO 36 HD2 -0.03 0.12 0.39 -0.04 3.68 4.11 2bdsA6 PRO 36 HD3 -0.00 0.07 0.14 -0.04 3.65 3.82 2bdsA6 ASN 37 H -0.02 0.32 -0.15 -0.55 8.53 8.14 2bdsA6 ASN 37 HA 0.00 -0.09 0.13 -0.75 4.76 4.05 2bdsA6 ASN 37 HB2 0.03 0.04 -0.06 -0.04 2.88 2.86 2bdsA6 ASN 37 HB3 0.02 0.10 0.17 -0.04 2.79 3.03 2bdsA6 ASN 37 HD21 -0.03 -0.06 0.05 -0.04 7.03 6.95 2bdsA6 ASN 37 HD22 -0.02 -0.06 0.07 -0.04 7.74 7.70 2bdsA6 ILE 38 H 0.09 0.89 0.17 -0.55 8.25 8.85 2bdsA6 ILE 38 HA 0.03 -0.18 0.56 -0.75 4.18 3.84 2bdsA6 ILE 38 HB 0.08 0.07 -0.11 -0.04 1.89 1.89 2bdsA6 ILE 38 HG12 -0.16 -0.14 -0.38 -0.04 1.49 0.77 2bdsA6 ILE 38 HG13 -0.37 0.35 -0.19 -0.04 1.21 0.95 2bdsA6 ILE 38 HG23 0.12 0.03 -0.26 -0.04 0.93 0.78 2bdsA6 ILE 38 HD13 -0.64 -0.02 -0.39 -0.04 0.88 -0.21 2bdsA6 CYS 39 H -0.07 0.25 0.00 -0.55 8.50 8.14 2bdsA6 CYS 39 HA 0.07 0.34 0.96 -0.75 4.58 5.19 2bdsA6 CYS 39 HB2 0.04 0.11 -0.26 -0.04 2.97 2.82 2bdsA6 CYS 39 HB3 0.00 0.02 -0.27 -0.04 2.97 2.68 2bdsA6 CYS 40 H 0.06 0.77 0.23 -0.55 8.50 9.02 2bdsA6 CYS 40 HA -0.31 -0.05 0.48 -0.75 4.58 3.95 2bdsA6 CYS 40 HB2 -0.39 0.01 0.06 -0.04 2.97 2.61 2bdsA6 CYS 40 HB3 -0.95 0.00 0.08 -0.04 2.97 2.06 2bdsA6 TYR 41 H -0.05 0.12 0.48 -0.55 8.29 8.29 2bdsA6 TYR 41 HA 0.11 0.14 0.61 -0.75 4.56 4.67 2bdsA6 TYR 41 HB2 -0.00 -0.13 -0.00 -0.04 3.06 2.88 2bdsA6 TYR 41 HB3 0.06 -0.04 0.03 -0.04 2.98 2.98 2bdsA6 TYR 41 HD2 0.04 -0.04 -0.25 -0.04 7.15 6.87 2bdsA6 TYR 41 HE2 0.13 0.04 -0.35 -0.04 6.85 6.63 2bdsA6 PRO 42 HA 0.17 0.04 0.39 -0.51 4.44 4.52 2bdsA6 PRO 42 HB2 0.01 0.07 -0.08 -0.04 2.28 2.23 2bdsA6 PRO 42 HB3 0.11 0.02 0.11 -0.04 2.02 2.22 2bdsA6 PRO 42 HG2 0.08 0.07 0.03 -0.04 2.03 2.17 2bdsA6 PRO 42 HG3 0.10 0.01 0.09 -0.04 2.03 2.19 2bdsA6 PRO 42 HD2 0.28 0.11 0.13 -0.04 3.68 4.15 2bdsA6 PRO 42 HD3 0.22 -0.13 0.46 -0.04 3.65 4.15 2bdsA6 HIS 43 H -0.45 0.18 0.08 -0.55 8.41 7.67 2bdsA6 HIS 43 HA -0.16 0.23 0.64 -0.75 4.63 4.58 2bdsA6 HIS 43 HB2 -0.34 0.01 -0.00 -0.04 3.26 2.89 2bdsA6 HIS 43 HB3 -1.39 -0.03 0.13 -0.04 3.20 1.87 2bdsA6 HIS 43 HD2 -0.06 -0.01 0.03 -0.04 6.97 6.87 2bdsA6 HIS 43 HE1 0.19 0.24 0.09 -0.04 7.75 8.23