============================================================================= 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 10.385 4.430 -2.516 -99.200 -91.000 TRP 16 1.040 -3.720 -0.540 -2.846 -99.200 -91.000 TRP6 16 1.020 -5.857 -1.164 -3.474 -99.200 -91.000 TYR 26 0.840 -7.276 -8.193 -4.730 -99.200 -91.000 TYR 28 0.840 -2.026 -5.294 -0.911 -99.200 -91.000 TYR 33 0.840 -2.514 1.165 6.144 -99.200 -91.000 TRP 35 1.040 -7.560 8.442 4.250 -99.200 -91.000 TRP6 35 1.020 -9.250 9.998 4.594 -99.200 -91.000 TYR 41 0.840 6.261 -2.985 0.954 -99.200 -91.000 HIS 43 0.900 9.040 -4.747 -2.305 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2bdsA35 ALA 1 HA -0.07 -0.04 0.17 -0.75 4.34 3.64 2bdsA35 ALA 1 HB3 -0.02 -0.05 0.12 -0.04 1.41 1.42 2bdsA35 ALA 2 H -0.06 -0.28 0.31 -0.55 8.40 7.83 2bdsA35 ALA 2 HA -0.07 0.06 0.40 -0.75 4.34 3.98 2bdsA35 ALA 2 HB3 -0.07 -0.15 0.22 -0.04 1.41 1.37 2bdsA35 PRO 3 HA -0.02 0.18 0.82 -0.51 4.44 4.91 2bdsA35 PRO 3 HB2 0.05 -0.01 0.21 -0.04 2.28 2.49 2bdsA35 PRO 3 HB3 0.02 0.04 0.19 -0.04 2.02 2.23 2bdsA35 PRO 3 HG2 -0.03 -0.02 0.06 -0.04 2.03 2.00 2bdsA35 PRO 3 HG3 -0.01 0.04 0.09 -0.04 2.03 2.11 2bdsA35 PRO 3 HD2 -0.07 0.02 0.21 -0.04 3.68 3.80 2bdsA35 PRO 3 HD3 -0.04 0.24 0.18 -0.04 3.65 3.99 2bdsA35 CYS 4 H -0.11 0.01 -0.73 -0.55 8.50 7.12 2bdsA35 CYS 4 HA -0.75 0.04 0.46 -0.75 4.58 3.58 2bdsA35 CYS 4 HB2 -0.23 0.02 -0.04 -0.04 2.97 2.68 2bdsA35 CYS 4 HB3 -0.16 -0.06 0.04 -0.04 2.97 2.75 2bdsA35 PHE 5 H -1.79 0.08 0.03 -0.55 8.34 6.10 2bdsA35 PHE 5 HA 0.19 0.06 -0.19 -0.75 4.62 3.93 2bdsA35 PHE 5 HB2 0.03 0.11 0.01 -0.04 3.15 3.27 2bdsA35 PHE 5 HB3 0.07 0.01 -0.07 -0.04 3.06 3.04 2bdsA35 PHE 5 HD2 0.01 0.10 -0.24 -0.04 7.28 7.10 2bdsA35 PHE 5 HE2 0.00 0.03 0.05 -0.04 7.38 7.42 2bdsA35 PHE 5 HZ 0.00 -0.03 0.03 -0.04 7.32 7.28 2bdsA35 CYS 6 H 0.18 0.44 0.08 -0.55 8.50 8.65 2bdsA35 CYS 6 HA -0.02 0.16 0.69 -0.75 4.58 4.66 2bdsA35 CYS 6 HB2 -1.06 0.04 -0.12 -0.04 2.97 1.80 2bdsA35 CYS 6 HB3 -0.38 0.03 -0.12 -0.04 2.97 2.45 2bdsA35 SER 7 H -0.08 0.16 0.09 -0.55 8.46 8.09 2bdsA35 SER 7 HA 0.01 0.08 0.49 -0.75 4.49 4.32 2bdsA35 SER 7 HB2 -0.02 0.02 0.18 -0.04 3.95 4.09 2bdsA35 SER 7 HB3 0.00 0.03 0.04 -0.04 3.93 3.96 2bdsA35 GLY 8 H -0.00 0.21 0.16 -0.55 8.43 8.25 2bdsA35 GLY 8 HA2 -0.01 -0.00 0.34 -0.51 4.01 3.83 2bdsA35 GLY 8 HA3 -0.02 0.16 0.65 -0.51 4.01 4.29 2bdsA35 LYS 9 H -0.04 0.13 -0.89 -0.55 8.42 7.07 2bdsA35 LYS 9 HA 0.06 0.24 0.83 -0.75 4.32 4.69 2bdsA35 LYS 9 HB2 -0.26 -0.16 -0.08 -0.04 1.87 1.33 2bdsA35 LYS 9 HB3 0.23 0.10 -0.06 -0.04 1.79 2.02 2bdsA35 LYS 9 HG2 0.09 0.04 -0.06 -0.04 1.46 1.48 2bdsA35 LYS 9 HG3 -0.03 0.02 -0.44 -0.04 1.46 0.96 2bdsA35 LYS 9 HD2 -0.53 -0.07 -0.15 -0.04 1.69 0.89 2bdsA35 LYS 9 HD3 -0.20 -0.03 -0.07 -0.04 1.68 1.35 2bdsA35 LYS 9 HE2 -0.01 0.02 -0.08 -0.04 2.99 2.88 2bdsA35 LYS 9 HE3 -0.08 0.08 -0.09 -0.04 2.99 2.86 2bdsA35 PRO 10 HA -0.10 0.06 0.52 -0.51 4.44 4.40 2bdsA35 PRO 10 HB2 -0.02 0.04 -0.06 -0.04 2.28 2.20 2bdsA35 PRO 10 HB3 -0.08 0.01 0.08 -0.04 2.02 1.98 2bdsA35 PRO 10 HG2 0.03 0.03 0.06 -0.04 2.03 2.11 2bdsA35 PRO 10 HG3 -0.00 0.03 0.04 -0.04 2.03 2.05 2bdsA35 PRO 10 HD2 0.09 0.09 0.24 -0.04 3.68 4.06 2bdsA35 PRO 10 HD3 0.03 0.33 0.08 -0.04 3.65 4.05 2bdsA35 GLY 11 H -0.19 0.09 0.11 -0.55 8.43 7.89 2bdsA35 GLY 11 HA2 0.04 -0.01 0.60 -0.51 4.01 4.13 2bdsA35 GLY 11 HA3 0.08 0.06 0.35 -0.51 4.01 3.99 2bdsA35 ARG 12 H -0.35 0.29 -0.01 -0.55 8.46 7.85 2bdsA35 ARG 12 HA 0.09 0.06 -0.23 -0.75 4.34 3.50 2bdsA35 ARG 12 HB2 -0.09 0.28 0.11 -0.04 1.90 2.16 2bdsA35 ARG 12 HB3 -0.06 0.10 -0.16 -0.04 1.80 1.63 2bdsA35 ARG 12 HG2 -0.29 -0.04 -0.17 -0.04 1.67 1.12 2bdsA35 ARG 12 HG3 -1.19 -0.06 -0.01 -0.04 1.67 0.37 2bdsA35 ARG 12 HD2 -0.05 0.04 -0.12 -0.04 3.22 3.04 2bdsA35 ARG 12 HD3 0.01 -0.15 -0.11 -0.04 3.22 2.92 2bdsA35 GLY 13 H -0.01 0.12 -0.17 -0.55 8.43 7.83 2bdsA35 GLY 13 HA2 -0.17 0.02 0.45 -0.51 4.01 3.80 2bdsA35 GLY 13 HA3 0.23 0.04 0.16 -0.51 4.01 3.93 2bdsA35 ASP 14 H 0.09 0.70 0.21 -0.55 8.40 8.86 2bdsA35 ASP 14 HA 0.05 -0.03 0.81 -0.75 4.63 4.70 2bdsA35 ASP 14 HB2 0.39 0.01 0.20 -0.04 2.71 3.27 2bdsA35 ASP 14 HB3 0.33 -0.03 -0.00 -0.04 2.70 2.95 2bdsA35 LEU 15 H -0.07 -0.07 0.30 -0.55 8.37 7.99 2bdsA35 LEU 15 HA 0.05 0.21 0.95 -0.75 4.35 4.81 2bdsA35 LEU 15 HB2 -0.06 0.02 0.05 -0.04 1.64 1.62 2bdsA35 LEU 15 HB3 -0.10 -0.05 0.26 -0.04 1.64 1.71 2bdsA35 LEU 15 HG -0.08 -0.07 -0.27 -0.04 1.64 1.18 2bdsA35 LEU 15 HD13 -0.01 0.06 -0.22 -0.04 0.93 0.71 2bdsA35 LEU 15 HD23 -0.07 -0.00 -0.03 -0.04 0.89 0.74 2bdsA35 TRP 16 H 0.27 0.76 0.42 -0.55 7.97 8.88 2bdsA35 TRP 16 HA -0.04 0.08 0.75 -0.75 4.62 4.65 2bdsA35 TRP 16 HB2 -0.10 0.17 0.14 -0.04 3.23 3.40 2bdsA35 TRP 16 HB3 -0.05 -0.03 -0.05 -0.04 3.23 3.06 2bdsA35 TRP 16 HD1 -0.11 0.13 -0.19 -0.04 7.22 7.01 2bdsA35 TRP 16 HE1 0.26 0.02 -0.07 -0.04 10.20 10.38 2bdsA35 TRP 16 HE3 -0.02 -0.00 -0.04 -0.04 7.59 7.48 2bdsA35 TRP 16 HZ2 0.03 0.00 0.01 -0.04 7.44 7.44 2bdsA35 TRP 16 HZ3 -0.04 0.02 0.02 -0.04 7.13 7.10 2bdsA35 TRP 16 HH2 -0.16 -0.01 0.03 -0.04 7.19 7.02 2bdsA35 ILE 17 H -0.06 0.22 0.13 -0.55 8.25 8.00 2bdsA35 ILE 17 HA -0.02 0.05 0.35 -0.75 4.18 3.81 2bdsA35 ILE 17 HB -0.07 0.01 0.07 -0.04 1.89 1.87 2bdsA35 ILE 17 HG12 -0.06 -0.00 -0.07 -0.04 1.49 1.31 2bdsA35 ILE 17 HG13 -0.10 0.06 -0.04 -0.04 1.21 1.09 2bdsA35 ILE 17 HG23 -0.07 -0.00 0.05 -0.04 0.93 0.87 2bdsA35 ILE 17 HD13 -0.08 0.01 0.02 -0.04 0.88 0.78 2bdsA35 LEU 18 H 0.11 -0.02 -0.57 -0.55 8.37 7.34 2bdsA35 LEU 18 HA -0.14 0.40 0.89 -0.75 4.35 4.74 2bdsA35 LEU 18 HB2 0.01 -0.10 0.02 -0.04 1.64 1.53 2bdsA35 LEU 18 HB3 -0.01 -0.02 0.12 -0.04 1.64 1.69 2bdsA35 LEU 18 HG -0.10 0.24 -0.42 -0.04 1.64 1.32 2bdsA35 LEU 18 HD13 -0.05 -0.02 -0.04 -0.04 0.93 0.77 2bdsA35 LEU 18 HD23 -0.17 -0.01 0.04 -0.04 0.89 0.71 2bdsA35 ARG 19 H 0.03 0.65 0.13 -0.55 8.46 8.72 2bdsA35 ARG 19 HA 0.18 0.01 0.40 -0.75 4.34 4.17 2bdsA35 ARG 19 HB2 0.23 -0.14 -0.52 -0.04 1.90 1.42 2bdsA35 ARG 19 HB3 0.06 0.01 -0.25 -0.04 1.80 1.59 2bdsA35 ARG 19 HG2 0.05 -0.07 0.20 -0.04 1.67 1.81 2bdsA35 ARG 19 HG3 0.13 0.18 0.30 -0.04 1.67 2.24 2bdsA35 ARG 19 HD2 0.29 -0.04 0.02 -0.04 3.22 3.45 2bdsA35 ARG 19 HD3 -0.33 -0.06 -0.01 -0.04 3.22 2.78 2bdsA35 GLY 20 H 0.23 0.05 0.17 -0.55 8.43 8.33 2bdsA35 GLY 20 HA2 0.36 0.22 0.81 -0.51 4.01 4.89 2bdsA35 GLY 20 HA3 0.18 0.00 0.30 -0.51 4.01 3.98 2bdsA35 THR 21 H 0.11 -0.06 0.18 -0.55 8.28 7.96 2bdsA35 THR 21 HA 0.19 0.20 0.77 -0.75 4.39 4.80 2bdsA35 THR 21 HB 0.01 0.09 -0.03 -0.04 4.32 4.34 2bdsA35 THR 21 HG23 -0.01 0.02 -0.15 -0.04 1.22 1.04 2bdsA35 CYS 22 H 0.02 0.16 0.04 -0.55 8.50 8.18 2bdsA35 CYS 22 HA -0.51 0.19 0.66 -0.75 4.58 4.17 2bdsA35 CYS 22 HB2 -0.21 -0.00 -0.04 -0.04 2.97 2.67 2bdsA35 CYS 22 HB3 -0.11 0.02 -0.21 -0.04 2.97 2.64 2bdsA35 PRO 23 HA -0.09 0.08 0.36 -0.51 4.44 4.28 2bdsA35 PRO 23 HB2 -0.16 -0.13 0.22 -0.04 2.28 2.17 2bdsA35 PRO 23 HB3 -0.17 0.10 0.13 -0.04 2.02 2.04 2bdsA35 PRO 23 HG2 -0.39 0.02 0.13 -0.04 2.03 1.75 2bdsA35 PRO 23 HG3 -0.35 0.10 0.11 -0.04 2.03 1.84 2bdsA35 PRO 23 HD2 -0.71 0.09 0.16 -0.04 3.68 3.18 2bdsA35 PRO 23 HD3 -0.87 0.21 0.20 -0.04 3.65 3.16 2bdsA35 GLY 24 H -0.01 0.23 0.28 -0.55 8.43 8.38 2bdsA35 GLY 24 HA2 0.05 0.16 0.35 -0.51 4.01 4.05 2bdsA35 GLY 24 HA3 0.03 0.04 0.34 -0.51 4.01 3.90 2bdsA35 GLY 25 H 0.05 -0.16 -1.06 -0.55 8.43 6.71 2bdsA35 GLY 25 HA2 0.06 0.22 0.69 -0.51 4.01 4.46 2bdsA35 GLY 25 HA3 0.09 -0.04 0.20 -0.51 4.01 3.75 2bdsA35 TYR 26 H 0.18 0.25 -0.13 -0.55 8.29 8.03 2bdsA35 TYR 26 HA -0.04 0.11 0.57 -0.75 4.56 4.45 2bdsA35 TYR 26 HB2 -0.11 0.11 0.26 -0.04 3.06 3.28 2bdsA35 TYR 26 HB3 -0.24 -0.03 0.15 -0.04 2.98 2.82 2bdsA35 TYR 26 HD2 -0.05 -0.03 -0.08 -0.04 7.15 6.95 2bdsA35 TYR 26 HE2 0.06 0.01 -0.01 -0.04 6.85 6.86 2bdsA35 GLY 27 H -0.00 -0.13 0.16 -0.55 8.43 7.91 2bdsA35 GLY 27 HA2 0.01 0.16 0.45 -0.51 4.01 4.12 2bdsA35 GLY 27 HA3 -0.05 0.00 0.25 -0.51 4.01 3.70 2bdsA35 TYR 28 H -0.10 -0.20 0.15 -0.55 8.29 7.58 2bdsA35 TYR 28 HA 0.05 0.12 0.46 -0.75 4.56 4.44 2bdsA35 TYR 28 HB2 -0.03 -0.05 -0.12 -0.04 3.06 2.82 2bdsA35 TYR 28 HB3 0.01 0.05 0.04 -0.04 2.98 3.05 2bdsA35 TYR 28 HD2 -0.07 0.05 -0.21 -0.04 7.15 6.87 2bdsA35 TYR 28 HE2 0.00 0.05 -0.11 -0.04 6.85 6.74 2bdsA35 THR 29 H 0.21 0.21 0.22 -0.55 8.28 8.37 2bdsA35 THR 29 HA 0.09 0.07 0.46 -0.75 4.39 4.26 2bdsA35 THR 29 HB 0.06 -0.05 -0.01 -0.04 4.32 4.29 2bdsA35 THR 29 HG23 0.06 0.07 -0.07 -0.04 1.22 1.24 2bdsA35 SER 30 H 0.14 0.10 0.14 -0.55 8.46 8.29 2bdsA35 SER 30 HA 0.08 0.15 0.76 -0.75 4.49 4.73 2bdsA35 SER 30 HB2 0.11 0.03 -0.01 -0.04 3.95 4.03 2bdsA35 SER 30 HB3 0.10 0.03 0.03 -0.04 3.93 4.05 2bdsA35 ASN 31 H 0.12 0.29 0.20 -0.55 8.53 8.60 2bdsA35 ASN 31 HA -0.00 -0.05 0.98 -0.75 4.76 4.93 2bdsA35 ASN 31 HB2 -0.47 0.15 -0.14 -0.04 2.88 2.38 2bdsA35 ASN 31 HB3 -0.28 -0.06 0.02 -0.04 2.79 2.42 2bdsA35 ASN 31 HD21 -0.04 -0.06 -0.24 -0.04 7.03 6.66 2bdsA35 ASN 31 HD22 0.09 0.04 -0.49 -0.04 7.74 7.34 2bdsA35 CYS 32 H -0.12 0.63 0.36 -0.55 8.50 8.82 2bdsA35 CYS 32 HA 0.11 0.14 0.94 -0.75 4.58 5.02 2bdsA35 CYS 32 HB2 -0.02 -0.05 -0.05 -0.04 2.97 2.80 2bdsA35 CYS 32 HB3 -0.00 -0.09 0.17 -0.04 2.97 3.01 2bdsA35 TYR 33 H 0.17 0.20 0.17 -0.55 8.29 8.28 2bdsA35 TYR 33 HA 0.05 0.11 0.95 -0.75 4.56 4.90 2bdsA35 TYR 33 HB2 0.00 -0.03 0.07 -0.04 3.06 3.06 2bdsA35 TYR 33 HB3 0.03 0.03 -0.00 -0.04 2.98 3.00 2bdsA35 TYR 33 HD2 0.00 0.00 -0.21 -0.04 7.15 6.90 2bdsA35 TYR 33 HE2 -0.05 0.02 -0.19 -0.04 6.85 6.58 2bdsA35 LYS 34 H 0.15 0.40 0.02 -0.55 8.42 8.44 2bdsA35 LYS 34 HA 0.15 0.03 0.54 -0.75 4.32 4.28 2bdsA35 LYS 34 HB2 0.07 0.06 0.05 -0.04 1.87 2.01 2bdsA35 LYS 34 HB3 0.07 0.06 0.05 -0.04 1.79 1.93 2bdsA35 LYS 34 HG2 0.04 -0.09 -0.29 -0.04 1.46 1.08 2bdsA35 LYS 34 HG3 0.03 0.01 -0.16 -0.04 1.46 1.30 2bdsA35 LYS 34 HD2 0.03 0.04 -0.16 -0.04 1.69 1.56 2bdsA35 LYS 34 HD3 0.05 -0.03 -0.50 -0.04 1.68 1.16 2bdsA35 LYS 34 HE2 -0.01 -0.15 -0.21 -0.04 2.99 2.58 2bdsA35 LYS 34 HE3 -0.01 0.03 -0.18 -0.04 2.99 2.79 2bdsA35 TRP 35 H 0.33 0.04 0.07 -0.55 7.97 7.86 2bdsA35 TRP 35 HA 0.04 0.20 0.20 -0.75 4.62 4.30 2bdsA35 TRP 35 HB2 0.04 -0.04 0.14 -0.04 3.23 3.33 2bdsA35 TRP 35 HB3 0.02 0.02 -0.04 -0.04 3.23 3.19 2bdsA35 TRP 35 HD1 0.06 0.27 -0.01 -0.04 7.22 7.51 2bdsA35 TRP 35 HE1 0.04 -0.12 -0.37 -0.04 10.20 9.70 2bdsA35 TRP 35 HE3 0.02 0.00 -0.03 -0.04 7.59 7.54 2bdsA35 TRP 35 HZ2 0.02 -0.03 -0.04 -0.04 7.44 7.35 2bdsA35 TRP 35 HZ3 0.01 -0.01 -0.01 -0.04 7.13 7.08 2bdsA35 TRP 35 HH2 0.01 -0.01 -0.01 -0.04 7.19 7.14 2bdsA35 PRO 36 HA -1.36 0.00 0.35 -0.51 4.44 2.93 2bdsA35 PRO 36 HB2 -0.38 0.17 0.14 -0.04 2.28 2.17 2bdsA35 PRO 36 HB3 -0.75 -0.04 0.16 -0.04 2.02 1.35 2bdsA35 PRO 36 HG2 -0.16 0.05 0.12 -0.04 2.03 2.00 2bdsA35 PRO 36 HG3 -0.21 -0.02 0.11 -0.04 2.03 1.88 2bdsA35 PRO 36 HD2 -0.05 0.10 0.34 -0.04 3.68 4.03 2bdsA35 PRO 36 HD3 -0.02 0.07 0.20 -0.04 3.65 3.86 2bdsA35 ASN 37 H -0.01 0.28 -0.13 -0.55 8.53 8.14 2bdsA35 ASN 37 HA 0.01 0.02 0.39 -0.75 4.76 4.42 2bdsA35 ASN 37 HB2 0.02 0.09 -0.06 -0.04 2.88 2.89 2bdsA35 ASN 37 HB3 0.01 -0.04 0.07 -0.04 2.79 2.79 2bdsA35 ASN 37 HD21 -0.05 -0.02 0.00 -0.04 7.03 6.92 2bdsA35 ASN 37 HD22 -0.03 -0.05 -0.06 -0.04 7.74 7.55 2bdsA35 ILE 38 H 0.07 0.55 0.23 -0.55 8.25 8.55 2bdsA35 ILE 38 HA -0.02 -0.14 0.42 -0.75 4.18 3.68 2bdsA35 ILE 38 HB -0.11 0.03 0.03 -0.04 1.89 1.80 2bdsA35 ILE 38 HG12 -0.25 -0.16 -0.38 -0.04 1.49 0.66 2bdsA35 ILE 38 HG13 -0.47 0.30 -0.23 -0.04 1.21 0.77 2bdsA35 ILE 38 HG23 0.09 0.11 -0.35 -0.04 0.93 0.75 2bdsA35 ILE 38 HD13 -0.94 -0.01 -0.31 -0.04 0.88 -0.43 2bdsA35 CYS 39 H -0.11 0.22 -0.09 -0.55 8.50 7.98 2bdsA35 CYS 39 HA 0.08 0.29 1.16 -0.75 4.58 5.36 2bdsA35 CYS 39 HB2 -0.00 -0.05 0.02 -0.04 2.97 2.90 2bdsA35 CYS 39 HB3 0.07 0.13 -0.20 -0.04 2.97 2.92 2bdsA35 CYS 40 H 0.14 0.66 0.26 -0.55 8.50 9.01 2bdsA35 CYS 40 HA -0.31 -0.04 0.62 -0.75 4.58 4.10 2bdsA35 CYS 40 HB2 -0.55 -0.02 0.04 -0.04 2.97 2.40 2bdsA35 CYS 40 HB3 -0.96 -0.01 0.05 -0.04 2.97 2.01 2bdsA35 TYR 41 H -0.05 0.18 0.55 -0.55 8.29 8.41 2bdsA35 TYR 41 HA 0.11 0.12 0.62 -0.75 4.56 4.65 2bdsA35 TYR 41 HB2 0.01 -0.11 -0.06 -0.04 3.06 2.85 2bdsA35 TYR 41 HB3 0.06 -0.06 0.02 -0.04 2.98 2.96 2bdsA35 TYR 41 HD2 0.05 -0.02 -0.23 -0.04 7.15 6.92 2bdsA35 TYR 41 HE2 0.16 0.03 -0.24 -0.04 6.85 6.76 2bdsA35 PRO 42 HA 0.19 0.03 0.40 -0.51 4.44 4.55 2bdsA35 PRO 42 HB2 0.01 0.08 -0.09 -0.04 2.28 2.24 2bdsA35 PRO 42 HB3 0.12 0.02 0.10 -0.04 2.02 2.22 2bdsA35 PRO 42 HG2 0.08 0.05 0.04 -0.04 2.03 2.16 2bdsA35 PRO 42 HG3 0.10 0.03 0.09 -0.04 2.03 2.21 2bdsA35 PRO 42 HD2 0.28 0.08 0.16 -0.04 3.68 4.16 2bdsA35 PRO 42 HD3 0.21 -0.10 0.46 -0.04 3.65 4.17 2bdsA35 HIS 43 H -0.50 0.16 0.08 -0.55 8.41 7.61 2bdsA35 HIS 43 HA -0.17 0.24 0.63 -0.75 4.63 4.57 2bdsA35 HIS 43 HB2 -0.33 0.03 -0.12 -0.04 3.26 2.79 2bdsA35 HIS 43 HB3 -1.50 -0.04 0.13 -0.04 3.20 1.75 2bdsA35 HIS 43 HD2 -0.04 -0.01 -0.01 -0.04 6.97 6.87 2bdsA35 HIS 43 HE1 0.19 0.20 0.08 -0.04 7.75 8.17