============================================================================= 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 9.792 5.665 -3.263 -99.200 -91.000 TRP 16 1.040 -3.279 -1.041 -2.892 -99.200 -91.000 TRP6 16 1.020 -5.372 -1.760 -3.566 -99.200 -91.000 TYR 26 0.840 -7.215 -6.652 -4.547 -99.200 -91.000 TYR 28 0.840 -2.232 -5.484 -0.730 -99.200 -91.000 TYR 33 0.840 -3.307 1.625 5.950 -99.200 -91.000 TRP 35 1.040 -6.490 9.732 4.115 -99.200 -91.000 TRP6 35 1.020 -7.854 11.597 4.333 -99.200 -91.000 TYR 41 0.840 5.472 -2.626 1.370 -99.200 -91.000 HIS 43 0.900 8.564 -4.609 -2.448 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2bdsA41 ALA 1 HA -0.03 -0.06 0.17 -0.75 4.34 3.66 2bdsA41 ALA 1 HB3 0.04 -0.03 0.08 -0.04 1.41 1.46 2bdsA41 ALA 2 H -0.06 -0.18 0.27 -0.55 8.40 7.88 2bdsA41 ALA 2 HA -0.06 0.03 0.39 -0.75 4.34 3.95 2bdsA41 ALA 2 HB3 -0.08 -0.13 0.24 -0.04 1.41 1.40 2bdsA41 PRO 3 HA 0.01 0.19 0.81 -0.51 4.44 4.94 2bdsA41 PRO 3 HB2 0.10 -0.01 0.23 -0.04 2.28 2.56 2bdsA41 PRO 3 HB3 0.04 0.02 0.20 -0.04 2.02 2.24 2bdsA41 PRO 3 HG2 0.01 -0.02 0.07 -0.04 2.03 2.04 2bdsA41 PRO 3 HG3 0.00 0.03 0.09 -0.04 2.03 2.11 2bdsA41 PRO 3 HD2 -0.05 0.02 0.20 -0.04 3.68 3.81 2bdsA41 PRO 3 HD3 -0.03 0.19 0.15 -0.04 3.65 3.92 2bdsA41 CYS 4 H -0.07 0.10 -0.96 -0.55 8.50 7.01 2bdsA41 CYS 4 HA -0.61 0.04 0.52 -0.75 4.58 3.77 2bdsA41 CYS 4 HB2 -0.25 0.02 -0.05 -0.04 2.97 2.65 2bdsA41 CYS 4 HB3 -0.15 -0.10 0.01 -0.04 2.97 2.69 2bdsA41 PHE 5 H -1.71 0.05 0.03 -0.55 8.34 6.16 2bdsA41 PHE 5 HA 0.08 0.13 -0.03 -0.75 4.62 4.05 2bdsA41 PHE 5 HB2 0.04 -0.00 -0.03 -0.04 3.15 3.11 2bdsA41 PHE 5 HB3 0.04 0.19 0.06 -0.04 3.06 3.32 2bdsA41 PHE 5 HD2 0.01 0.11 -0.22 -0.04 7.28 7.14 2bdsA41 PHE 5 HE2 0.00 0.05 0.06 -0.04 7.38 7.46 2bdsA41 PHE 5 HZ 0.00 -0.05 0.02 -0.04 7.32 7.26 2bdsA41 CYS 6 H 0.25 0.57 0.17 -0.55 8.50 8.95 2bdsA41 CYS 6 HA 0.08 0.11 0.49 -0.75 4.58 4.51 2bdsA41 CYS 6 HB2 0.08 0.05 -0.24 -0.04 2.97 2.82 2bdsA41 CYS 6 HB3 -0.19 -0.03 -0.05 -0.04 2.97 2.66 2bdsA41 SER 7 H -0.02 0.16 0.10 -0.55 8.46 8.15 2bdsA41 SER 7 HA 0.02 0.07 0.52 -0.75 4.49 4.35 2bdsA41 SER 7 HB2 0.01 0.02 0.08 -0.04 3.95 4.03 2bdsA41 SER 7 HB3 -0.02 0.00 0.19 -0.04 3.93 4.07 2bdsA41 GLY 8 H 0.01 0.22 0.22 -0.55 8.43 8.33 2bdsA41 GLY 8 HA2 -0.00 -0.02 0.35 -0.51 4.01 3.83 2bdsA41 GLY 8 HA3 -0.03 0.15 0.66 -0.51 4.01 4.28 2bdsA41 LYS 9 H -0.01 0.16 -0.76 -0.55 8.42 7.26 2bdsA41 LYS 9 HA 0.08 0.20 0.89 -0.75 4.32 4.73 2bdsA41 LYS 9 HB2 -0.07 -0.10 -0.10 -0.04 1.87 1.56 2bdsA41 LYS 9 HB3 0.39 0.12 -0.04 -0.04 1.79 2.23 2bdsA41 LYS 9 HG2 -0.12 -0.02 -0.08 -0.04 1.46 1.20 2bdsA41 LYS 9 HG3 -0.11 0.03 -0.45 -0.04 1.46 0.89 2bdsA41 LYS 9 HD2 -0.40 0.05 -0.30 -0.04 1.69 1.00 2bdsA41 LYS 9 HD3 -1.82 -0.00 -0.15 -0.04 1.68 -0.34 2bdsA41 LYS 9 HE2 -0.21 0.01 -0.11 -0.04 2.99 2.64 2bdsA41 LYS 9 HE3 -0.27 0.03 -0.08 -0.04 2.99 2.63 2bdsA41 PRO 10 HA 0.06 0.05 0.18 -0.51 4.44 4.22 2bdsA41 PRO 10 HB2 0.12 0.03 0.04 -0.04 2.28 2.43 2bdsA41 PRO 10 HB3 0.07 0.02 0.15 -0.04 2.02 2.21 2bdsA41 PRO 10 HG2 0.27 0.07 0.04 -0.04 2.03 2.38 2bdsA41 PRO 10 HG3 0.11 0.03 0.09 -0.04 2.03 2.22 2bdsA41 PRO 10 HD2 0.28 0.13 0.17 -0.04 3.68 4.22 2bdsA41 PRO 10 HD3 0.11 0.19 0.23 -0.04 3.65 4.14 2bdsA41 GLY 11 H 0.01 0.10 0.11 -0.55 8.43 8.10 2bdsA41 GLY 11 HA2 -0.20 0.04 0.24 -0.51 4.01 3.59 2bdsA41 GLY 11 HA3 -0.09 -0.01 0.38 -0.51 4.01 3.78 2bdsA41 ARG 12 H 0.11 0.37 -0.94 -0.55 8.46 7.45 2bdsA41 ARG 12 HA 0.09 0.01 -0.19 -0.75 4.34 3.50 2bdsA41 ARG 12 HB2 -0.13 0.16 0.10 -0.04 1.90 1.99 2bdsA41 ARG 12 HB3 -0.06 -0.03 -0.51 -0.04 1.80 1.16 2bdsA41 ARG 12 HG2 -0.74 -0.13 -0.19 -0.04 1.67 0.56 2bdsA41 ARG 12 HG3 -1.29 0.02 -0.46 -0.04 1.67 -0.10 2bdsA41 ARG 12 HD2 -0.07 -0.06 -0.13 -0.04 3.22 2.92 2bdsA41 ARG 12 HD3 -0.07 -0.08 -0.12 -0.04 3.22 2.92 2bdsA41 GLY 13 H -0.06 0.22 -0.01 -0.55 8.43 8.03 2bdsA41 GLY 13 HA2 -0.41 -0.06 0.37 -0.51 4.01 3.39 2bdsA41 GLY 13 HA3 -0.02 0.04 0.21 -0.51 4.01 3.74 2bdsA41 ASP 14 H -0.22 0.55 0.15 -0.55 8.40 8.34 2bdsA41 ASP 14 HA 0.02 -0.04 0.78 -0.75 4.63 4.64 2bdsA41 ASP 14 HB2 0.24 -0.02 0.09 -0.04 2.71 2.98 2bdsA41 ASP 14 HB3 0.47 -0.02 0.02 -0.04 2.70 3.13 2bdsA41 LEU 15 H -0.08 -0.04 0.35 -0.55 8.37 8.05 2bdsA41 LEU 15 HA 0.02 0.19 1.01 -0.75 4.35 4.82 2bdsA41 LEU 15 HB2 -0.09 0.03 0.10 -0.04 1.64 1.63 2bdsA41 LEU 15 HB3 -0.14 -0.08 0.24 -0.04 1.64 1.62 2bdsA41 LEU 15 HG -0.13 -0.04 -0.33 -0.04 1.64 1.10 2bdsA41 LEU 15 HD13 -0.05 0.03 0.03 -0.04 0.93 0.89 2bdsA41 LEU 15 HD23 -0.10 -0.01 -0.03 -0.04 0.89 0.71 2bdsA41 TRP 16 H 0.11 0.83 0.60 -0.55 7.97 8.96 2bdsA41 TRP 16 HA -0.05 0.09 0.91 -0.75 4.62 4.81 2bdsA41 TRP 16 HB2 -0.16 0.11 -0.01 -0.04 3.23 3.14 2bdsA41 TRP 16 HB3 -0.10 -0.02 0.03 -0.04 3.23 3.09 2bdsA41 TRP 16 HD1 -0.14 -0.08 -0.55 -0.04 7.22 6.41 2bdsA41 TRP 16 HE1 0.30 0.01 -0.11 -0.04 10.20 10.36 2bdsA41 TRP 16 HE3 -0.07 -0.05 0.07 -0.04 7.59 7.51 2bdsA41 TRP 16 HZ2 0.28 0.02 0.00 -0.04 7.44 7.70 2bdsA41 TRP 16 HZ3 -0.14 -0.02 0.04 -0.04 7.13 6.97 2bdsA41 TRP 16 HH2 -0.58 -0.02 0.04 -0.04 7.19 6.59 2bdsA41 ILE 17 H 0.16 0.09 0.14 -0.55 8.25 8.08 2bdsA41 ILE 17 HA -0.02 0.15 0.51 -0.75 4.18 4.07 2bdsA41 ILE 17 HB 0.01 0.04 0.10 -0.04 1.89 1.99 2bdsA41 ILE 17 HG12 -0.05 0.04 0.05 -0.04 1.49 1.50 2bdsA41 ILE 17 HG13 -0.07 -0.01 0.05 -0.04 1.21 1.14 2bdsA41 ILE 17 HG23 -0.07 0.04 0.11 -0.04 0.93 0.98 2bdsA41 ILE 17 HD13 0.07 0.01 0.06 -0.04 0.88 0.97 2bdsA41 LEU 18 H -0.08 0.11 0.19 -0.55 8.37 8.04 2bdsA41 LEU 18 HA -0.11 0.00 0.03 -0.75 4.35 3.53 2bdsA41 LEU 18 HB2 -0.19 -0.08 0.23 -0.04 1.64 1.56 2bdsA41 LEU 18 HB3 -0.65 -0.01 0.18 -0.04 1.64 1.12 2bdsA41 LEU 18 HG -0.19 0.07 0.25 -0.04 1.64 1.74 2bdsA41 LEU 18 HD13 -0.05 -0.01 0.04 -0.04 0.93 0.87 2bdsA41 LEU 18 HD23 -0.25 -0.01 0.10 -0.04 0.89 0.68 2bdsA41 ARG 19 H 0.11 0.86 0.29 -0.55 8.46 9.17 2bdsA41 ARG 19 HA 0.12 0.09 0.77 -0.75 4.34 4.56 2bdsA41 ARG 19 HB2 0.14 0.07 -0.07 -0.04 1.90 1.99 2bdsA41 ARG 19 HB3 0.03 0.10 -0.15 -0.04 1.80 1.74 2bdsA41 ARG 19 HG2 0.07 0.01 0.02 -0.04 1.67 1.72 2bdsA41 ARG 19 HG3 0.14 -0.07 -0.19 -0.04 1.67 1.51 2bdsA41 ARG 19 HD2 0.39 -0.07 -0.01 -0.04 3.22 3.49 2bdsA41 ARG 19 HD3 -0.03 -0.01 -0.02 -0.04 3.22 3.12 2bdsA41 GLY 20 H 0.16 0.20 0.07 -0.55 8.43 8.32 2bdsA41 GLY 20 HA2 0.23 0.05 0.30 -0.51 4.01 4.08 2bdsA41 GLY 20 HA3 0.12 0.00 0.27 -0.51 4.01 3.89 2bdsA41 THR 21 H 0.11 0.06 -0.46 -0.55 8.28 7.44 2bdsA41 THR 21 HA 0.27 0.14 0.48 -0.75 4.39 4.52 2bdsA41 THR 21 HB 0.01 0.08 -0.18 -0.04 4.32 4.19 2bdsA41 THR 21 HG23 -0.01 0.07 -0.01 -0.04 1.22 1.23 2bdsA41 CYS 22 H 0.02 0.15 0.00 -0.55 8.50 8.13 2bdsA41 CYS 22 HA -0.46 0.16 0.64 -0.75 4.58 4.17 2bdsA41 CYS 22 HB2 -0.26 -0.02 -0.02 -0.04 2.97 2.64 2bdsA41 CYS 22 HB3 -0.14 0.05 -0.15 -0.04 2.97 2.69 2bdsA41 PRO 23 HA -0.09 0.06 0.33 -0.51 4.44 4.23 2bdsA41 PRO 23 HB2 -0.08 -0.20 0.09 -0.04 2.28 2.05 2bdsA41 PRO 23 HB3 -0.16 0.10 0.11 -0.04 2.02 2.02 2bdsA41 PRO 23 HG2 -1.20 0.04 0.11 -0.04 2.03 0.94 2bdsA41 PRO 23 HG3 -0.68 0.09 0.10 -0.04 2.03 1.50 2bdsA41 PRO 23 HD2 -0.92 0.10 0.18 -0.04 3.68 3.01 2bdsA41 PRO 23 HD3 -0.68 0.20 0.21 -0.04 3.65 3.34 2bdsA41 GLY 24 H -0.00 0.17 0.17 -0.55 8.43 8.22 2bdsA41 GLY 24 HA2 0.03 0.22 0.51 -0.51 4.01 4.25 2bdsA41 GLY 24 HA3 0.02 0.05 0.36 -0.51 4.01 3.93 2bdsA41 GLY 25 H 0.07 -0.10 -0.68 -0.55 8.43 7.17 2bdsA41 GLY 25 HA2 0.05 0.26 0.79 -0.51 4.01 4.60 2bdsA41 GLY 25 HA3 0.09 0.00 0.22 -0.51 4.01 3.81 2bdsA41 TYR 26 H 0.17 0.12 -0.17 -0.55 8.29 7.86 2bdsA41 TYR 26 HA -0.07 0.14 0.57 -0.75 4.56 4.45 2bdsA41 TYR 26 HB2 -0.15 0.06 0.16 -0.04 3.06 3.10 2bdsA41 TYR 26 HB3 -0.47 0.03 -0.04 -0.04 2.98 2.47 2bdsA41 TYR 26 HD2 0.10 -0.05 -0.09 -0.04 7.15 7.07 2bdsA41 TYR 26 HE2 0.25 0.01 -0.00 -0.04 6.85 7.06 2bdsA41 GLY 27 H 0.01 0.09 -0.14 -0.55 8.43 7.85 2bdsA41 GLY 27 HA2 -0.01 0.04 0.18 -0.51 4.01 3.70 2bdsA41 GLY 27 HA3 -0.08 0.20 0.77 -0.51 4.01 4.39 2bdsA41 TYR 28 H -0.14 -0.06 -0.03 -0.55 8.29 7.51 2bdsA41 TYR 28 HA 0.03 0.14 0.46 -0.75 4.56 4.43 2bdsA41 TYR 28 HB2 -0.09 -0.02 -0.08 -0.04 3.06 2.83 2bdsA41 TYR 28 HB3 -0.04 0.04 0.08 -0.04 2.98 3.02 2bdsA41 TYR 28 HD2 -0.17 0.07 -0.24 -0.04 7.15 6.77 2bdsA41 TYR 28 HE2 -0.33 0.04 -0.15 -0.04 6.85 6.37 2bdsA41 THR 29 H 0.19 0.27 0.26 -0.55 8.28 8.45 2bdsA41 THR 29 HA 0.07 0.08 0.51 -0.75 4.39 4.30 2bdsA41 THR 29 HB 0.05 -0.05 -0.00 -0.04 4.32 4.29 2bdsA41 THR 29 HG23 0.05 0.06 -0.12 -0.04 1.22 1.18 2bdsA41 SER 30 H 0.13 0.12 0.20 -0.55 8.46 8.36 2bdsA41 SER 30 HA 0.07 0.15 0.81 -0.75 4.49 4.77 2bdsA41 SER 30 HB2 0.10 0.01 -0.07 -0.04 3.95 3.95 2bdsA41 SER 30 HB3 0.07 0.03 0.03 -0.04 3.93 4.02 2bdsA41 ASN 31 H 0.09 0.29 0.23 -0.55 8.53 8.59 2bdsA41 ASN 31 HA 0.06 0.05 0.65 -0.75 4.76 4.77 2bdsA41 ASN 31 HB2 -0.29 0.08 -0.14 -0.04 2.88 2.49 2bdsA41 ASN 31 HB3 -0.24 -0.05 0.08 -0.04 2.79 2.53 2bdsA41 ASN 31 HD21 0.01 -0.10 -0.18 -0.04 7.03 6.73 2bdsA41 ASN 31 HD22 0.03 -0.00 -0.48 -0.04 7.74 7.24 2bdsA41 CYS 32 H -0.04 0.49 0.25 -0.55 8.50 8.66 2bdsA41 CYS 32 HA 0.17 0.15 0.99 -0.75 4.58 5.13 2bdsA41 CYS 32 HB2 0.02 0.01 -0.05 -0.04 2.97 2.91 2bdsA41 CYS 32 HB3 0.02 -0.01 0.12 -0.04 2.97 3.06 2bdsA41 TYR 33 H 0.25 0.18 0.17 -0.55 8.29 8.34 2bdsA41 TYR 33 HA 0.06 0.12 0.84 -0.75 4.56 4.82 2bdsA41 TYR 33 HB2 0.01 -0.02 0.14 -0.04 3.06 3.14 2bdsA41 TYR 33 HB3 0.05 0.01 -0.04 -0.04 2.98 2.96 2bdsA41 TYR 33 HD2 0.02 -0.02 -0.18 -0.04 7.15 6.93 2bdsA41 TYR 33 HE2 -0.03 0.02 -0.45 -0.04 6.85 6.35 2bdsA41 LYS 34 H 0.11 0.38 0.23 -0.55 8.42 8.59 2bdsA41 LYS 34 HA 0.14 0.07 0.80 -0.75 4.32 4.57 2bdsA41 LYS 34 HB2 0.07 0.05 0.14 -0.04 1.87 2.09 2bdsA41 LYS 34 HB3 0.07 -0.00 0.01 -0.04 1.79 1.83 2bdsA41 LYS 34 HG2 0.05 -0.09 -0.42 -0.04 1.46 0.95 2bdsA41 LYS 34 HG3 0.04 0.07 -0.01 -0.04 1.46 1.52 2bdsA41 LYS 34 HD2 0.00 0.01 -0.07 -0.04 1.69 1.59 2bdsA41 LYS 34 HD3 0.02 -0.02 -0.09 -0.04 1.68 1.55 2bdsA41 LYS 34 HE2 0.01 -0.04 -0.05 -0.04 2.99 2.87 2bdsA41 LYS 34 HE3 -0.02 -0.03 -0.14 -0.04 2.99 2.76 2bdsA41 TRP 35 H 0.34 0.05 0.01 -0.55 7.97 7.83 2bdsA41 TRP 35 HA 0.04 0.00 0.31 -0.75 4.62 4.22 2bdsA41 TRP 35 HB2 0.03 -0.00 0.10 -0.04 3.23 3.32 2bdsA41 TRP 35 HB3 0.02 0.05 -0.06 -0.04 3.23 3.20 2bdsA41 TRP 35 HD1 0.07 0.04 -0.19 -0.04 7.22 7.10 2bdsA41 TRP 35 HE1 0.04 0.00 -0.17 -0.04 10.20 10.03 2bdsA41 TRP 35 HE3 0.02 0.01 -0.03 -0.04 7.59 7.55 2bdsA41 TRP 35 HZ2 0.02 0.00 -0.01 -0.04 7.44 7.40 2bdsA41 TRP 35 HZ3 0.01 -0.00 -0.01 -0.04 7.13 7.09 2bdsA41 TRP 35 HH2 0.01 -0.01 0.00 -0.04 7.19 7.15 2bdsA41 PRO 36 HA -1.04 0.03 0.33 -0.51 4.44 3.24 2bdsA41 PRO 36 HB2 -0.37 -0.01 0.17 -0.04 2.28 2.02 2bdsA41 PRO 36 HB3 -0.68 0.01 0.15 -0.04 2.02 1.46 2bdsA41 PRO 36 HG2 -0.14 0.02 0.05 -0.04 2.03 1.92 2bdsA41 PRO 36 HG3 -0.14 0.02 0.07 -0.04 2.03 1.94 2bdsA41 PRO 36 HD2 -0.03 0.12 0.28 -0.04 3.68 4.00 2bdsA41 PRO 36 HD3 0.02 0.10 0.15 -0.04 3.65 3.88 2bdsA41 ASN 37 H 0.02 0.39 -0.06 -0.55 8.53 8.34 2bdsA41 ASN 37 HA -0.03 0.03 0.06 -0.75 4.76 4.07 2bdsA41 ASN 37 HB2 -0.02 0.06 -0.12 -0.04 2.88 2.76 2bdsA41 ASN 37 HB3 -0.02 0.28 0.18 -0.04 2.79 3.19 2bdsA41 ASN 37 HD21 -0.09 -0.03 -0.08 -0.04 7.03 6.79 2bdsA41 ASN 37 HD22 -0.06 -0.00 -0.04 -0.04 7.74 7.60 2bdsA41 ILE 38 H 0.05 0.85 0.28 -0.55 8.25 8.89 2bdsA41 ILE 38 HA -0.04 -0.07 0.88 -0.75 4.18 4.19 2bdsA41 ILE 38 HB -0.24 -0.00 -0.06 -0.04 1.89 1.54 2bdsA41 ILE 38 HG12 -0.28 -0.15 -0.44 -0.04 1.49 0.59 2bdsA41 ILE 38 HG13 -0.45 0.35 -0.13 -0.04 1.21 0.94 2bdsA41 ILE 38 HG23 0.04 -0.04 -0.06 -0.04 0.93 0.82 2bdsA41 ILE 38 HD13 -1.37 -0.00 -0.29 -0.04 0.88 -0.83 2bdsA41 CYS 39 H -0.06 0.34 0.21 -0.55 8.50 8.44 2bdsA41 CYS 39 HA 0.11 0.10 1.20 -0.75 4.58 5.23 2bdsA41 CYS 39 HB2 0.05 -0.04 0.07 -0.04 2.97 3.01 2bdsA41 CYS 39 HB3 0.08 0.09 -0.18 -0.04 2.97 2.92 2bdsA41 CYS 40 H 0.19 0.34 0.11 -0.55 8.50 8.59 2bdsA41 CYS 40 HA -0.27 -0.05 0.52 -0.75 4.58 4.02 2bdsA41 CYS 40 HB2 -0.84 -0.03 -0.02 -0.04 2.97 2.05 2bdsA41 CYS 40 HB3 -1.11 0.01 -0.06 -0.04 2.97 1.77 2bdsA41 TYR 41 H -0.11 0.38 0.49 -0.55 8.29 8.49 2bdsA41 TYR 41 HA 0.11 0.09 0.64 -0.75 4.56 4.64 2bdsA41 TYR 41 HB2 -0.00 -0.04 -0.24 -0.04 3.06 2.74 2bdsA41 TYR 41 HB3 0.05 -0.06 -0.03 -0.04 2.98 2.90 2bdsA41 TYR 41 HD2 0.03 -0.06 -0.26 -0.04 7.15 6.82 2bdsA41 TYR 41 HE2 0.18 0.06 -0.12 -0.04 6.85 6.92 2bdsA41 PRO 42 HA 0.28 0.03 0.37 -0.51 4.44 4.61 2bdsA41 PRO 42 HB2 0.06 0.09 -0.09 -0.04 2.28 2.31 2bdsA41 PRO 42 HB3 0.14 0.02 0.09 -0.04 2.02 2.22 2bdsA41 PRO 42 HG2 0.09 0.06 0.03 -0.04 2.03 2.17 2bdsA41 PRO 42 HG3 0.10 0.02 0.08 -0.04 2.03 2.19 2bdsA41 PRO 42 HD2 0.24 0.09 0.13 -0.04 3.68 4.10 2bdsA41 PRO 42 HD3 0.20 -0.02 0.52 -0.04 3.65 4.31 2bdsA41 HIS 43 H -0.04 0.17 0.05 -0.55 8.41 8.05 2bdsA41 HIS 43 HA -0.05 0.25 0.59 -0.75 4.63 4.66 2bdsA41 HIS 43 HB2 -0.20 0.07 -0.11 -0.04 3.26 2.97 2bdsA41 HIS 43 HB3 -0.74 -0.03 0.02 -0.04 3.20 2.40 2bdsA41 HIS 43 HD2 0.01 0.01 -0.07 -0.04 6.97 6.87 2bdsA41 HIS 43 HE1 0.16 -0.10 -0.04 -0.04 7.75 7.73