============================================================================= 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 10.422 5.006 -3.559 -99.200 -91.000 TRP 16 1.040 -3.400 -1.194 -2.869 -99.200 -91.000 TRP6 16 1.020 -5.472 -2.020 -3.485 -99.200 -91.000 TYR 26 0.840 -5.139 -7.557 -4.895 -99.200 -91.000 TYR 28 0.840 -2.289 -5.587 -0.551 -99.200 -91.000 TYR 33 0.840 -3.329 1.965 5.609 -99.200 -91.000 TRP 35 1.040 -6.825 9.164 3.856 -99.200 -91.000 TRP6 35 1.020 -8.391 10.758 4.475 -99.200 -91.000 TYR 41 0.840 5.439 -2.113 1.095 -99.200 -91.000 HIS 43 0.900 8.562 -5.193 -2.863 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2bdsA13 ALA 1 HA -0.23 0.02 0.40 -0.75 4.34 3.78 2bdsA13 ALA 1 HB3 -0.15 0.00 0.17 -0.04 1.41 1.40 2bdsA13 ALA 2 H -0.13 0.06 0.19 -0.55 8.40 7.98 2bdsA13 ALA 2 HA -0.06 0.07 0.36 -0.75 4.34 3.95 2bdsA13 ALA 2 HB3 -0.09 -0.02 0.04 -0.04 1.41 1.30 2bdsA13 PRO 3 HA -0.03 0.34 0.83 -0.51 4.44 5.07 2bdsA13 PRO 3 HB2 0.14 0.16 0.35 -0.04 2.28 2.89 2bdsA13 PRO 3 HB3 0.01 0.02 0.21 -0.04 2.02 2.21 2bdsA13 PRO 3 HG2 0.09 -0.02 0.10 -0.04 2.03 2.16 2bdsA13 PRO 3 HG3 0.03 0.01 0.11 -0.04 2.03 2.14 2bdsA13 PRO 3 HD2 -0.02 0.01 0.15 -0.04 3.68 3.78 2bdsA13 PRO 3 HD3 -0.02 0.16 0.16 -0.04 3.65 3.91 2bdsA13 CYS 4 H -0.07 0.64 -1.01 -0.55 8.50 7.51 2bdsA13 CYS 4 HA -0.45 0.01 0.33 -0.75 4.58 3.71 2bdsA13 CYS 4 HB2 -0.16 -0.04 -0.05 -0.04 2.97 2.67 2bdsA13 CYS 4 HB3 -0.08 0.01 -0.15 -0.04 2.97 2.71 2bdsA13 PHE 5 H -1.12 0.02 0.07 -0.55 8.34 6.76 2bdsA13 PHE 5 HA 0.11 0.16 0.14 -0.75 4.62 4.27 2bdsA13 PHE 5 HB2 0.03 -0.06 -0.09 -0.04 3.15 3.00 2bdsA13 PHE 5 HB3 0.04 0.14 0.07 -0.04 3.06 3.26 2bdsA13 PHE 5 HD2 0.01 0.07 -0.30 -0.04 7.28 7.02 2bdsA13 PHE 5 HE2 -0.00 0.04 0.05 -0.04 7.38 7.43 2bdsA13 PHE 5 HZ -0.00 -0.04 0.02 -0.04 7.32 7.26 2bdsA13 CYS 6 H 0.20 0.61 0.24 -0.55 8.50 9.00 2bdsA13 CYS 6 HA 0.07 0.07 0.37 -0.75 4.58 4.33 2bdsA13 CYS 6 HB2 -0.17 0.05 -0.30 -0.04 2.97 2.51 2bdsA13 CYS 6 HB3 -0.25 -0.05 -0.13 -0.04 2.97 2.51 2bdsA13 SER 7 H -0.04 0.17 0.09 -0.55 8.46 8.13 2bdsA13 SER 7 HA -0.01 0.09 0.60 -0.75 4.49 4.41 2bdsA13 SER 7 HB2 -0.02 0.01 0.20 -0.04 3.95 4.10 2bdsA13 SER 7 HB3 -0.01 0.02 0.04 -0.04 3.93 3.94 2bdsA13 GLY 8 H -0.03 0.25 0.21 -0.55 8.43 8.32 2bdsA13 GLY 8 HA2 -0.03 -0.02 0.34 -0.51 4.01 3.79 2bdsA13 GLY 8 HA3 -0.07 0.19 0.80 -0.51 4.01 4.41 2bdsA13 LYS 9 H -0.09 0.29 -0.22 -0.55 8.42 7.85 2bdsA13 LYS 9 HA 0.05 0.19 0.92 -0.75 4.32 4.72 2bdsA13 LYS 9 HB2 -0.31 -0.05 -0.06 -0.04 1.87 1.40 2bdsA13 LYS 9 HB3 0.37 0.13 0.00 -0.04 1.79 2.26 2bdsA13 LYS 9 HG2 0.21 -0.05 -0.04 -0.04 1.46 1.53 2bdsA13 LYS 9 HG3 0.00 0.17 -0.15 -0.04 1.46 1.44 2bdsA13 LYS 9 HD2 -0.30 -0.15 -0.58 -0.04 1.69 0.62 2bdsA13 LYS 9 HD3 -1.23 0.01 -0.23 -0.04 1.68 0.19 2bdsA13 LYS 9 HE2 -0.04 -0.08 -0.10 -0.04 2.99 2.73 2bdsA13 LYS 9 HE3 -0.02 0.05 -0.10 -0.04 2.99 2.88 2bdsA13 PRO 10 HA 0.02 0.06 0.26 -0.51 4.44 4.26 2bdsA13 PRO 10 HB2 0.05 0.02 0.11 -0.04 2.28 2.42 2bdsA13 PRO 10 HB3 0.02 0.03 0.17 -0.04 2.02 2.19 2bdsA13 PRO 10 HG2 0.17 0.07 0.06 -0.04 2.03 2.29 2bdsA13 PRO 10 HG3 0.07 0.04 0.09 -0.04 2.03 2.19 2bdsA13 PRO 10 HD2 0.22 0.15 0.20 -0.04 3.68 4.21 2bdsA13 PRO 10 HD3 0.08 0.15 0.18 -0.04 3.65 4.02 2bdsA13 GLY 11 H -0.08 0.10 0.12 -0.55 8.43 8.03 2bdsA13 GLY 11 HA2 -0.55 0.04 0.32 -0.51 4.01 3.30 2bdsA13 GLY 11 HA3 -0.37 -0.01 0.41 -0.51 4.01 3.52 2bdsA13 ARG 12 H 0.12 0.42 -0.80 -0.55 8.46 7.65 2bdsA13 ARG 12 HA 0.19 0.19 -0.03 -0.75 4.34 3.94 2bdsA13 ARG 12 HB2 -0.09 -0.00 0.14 -0.04 1.90 1.91 2bdsA13 ARG 12 HB3 -0.08 -0.05 -0.51 -0.04 1.80 1.12 2bdsA13 ARG 12 HG2 -0.73 -0.10 -0.14 -0.04 1.67 0.65 2bdsA13 ARG 12 HG3 -1.32 0.03 -0.35 -0.04 1.67 -0.01 2bdsA13 ARG 12 HD2 -0.10 -0.03 -0.06 -0.04 3.22 2.99 2bdsA13 ARG 12 HD3 -0.13 -0.07 -0.08 -0.04 3.22 2.90 2bdsA13 GLY 13 H 0.01 -0.06 -0.33 -0.55 8.43 7.50 2bdsA13 GLY 13 HA2 -0.62 -0.00 0.49 -0.51 4.01 3.36 2bdsA13 GLY 13 HA3 -0.31 0.08 0.22 -0.51 4.01 3.50 2bdsA13 ASP 14 H -0.41 0.50 0.11 -0.55 8.40 8.06 2bdsA13 ASP 14 HA -0.07 0.28 0.86 -0.75 4.63 4.96 2bdsA13 ASP 14 HB2 0.11 -0.06 0.15 -0.04 2.71 2.87 2bdsA13 ASP 14 HB3 0.19 -0.01 -0.02 -0.04 2.70 2.82 2bdsA13 LEU 15 H -0.13 0.09 0.05 -0.55 8.37 7.83 2bdsA13 LEU 15 HA -0.00 0.14 1.07 -0.75 4.35 4.81 2bdsA13 LEU 15 HB2 -0.09 0.00 0.10 -0.04 1.64 1.61 2bdsA13 LEU 15 HB3 -0.13 -0.29 0.26 -0.04 1.64 1.44 2bdsA13 LEU 15 HG -0.05 0.28 0.11 -0.04 1.64 1.93 2bdsA13 LEU 15 HD13 -0.05 -0.01 -0.04 -0.04 0.93 0.78 2bdsA13 LEU 15 HD23 -0.09 -0.03 -0.01 -0.04 0.89 0.72 2bdsA13 TRP 16 H 0.10 0.85 0.60 -0.55 7.97 8.98 2bdsA13 TRP 16 HA -0.09 0.14 0.84 -0.75 4.62 4.75 2bdsA13 TRP 16 HB2 -0.18 0.10 -0.02 -0.04 3.23 3.09 2bdsA13 TRP 16 HB3 -0.11 -0.08 0.11 -0.04 3.23 3.11 2bdsA13 TRP 16 HD1 -0.26 -0.01 -0.33 -0.04 7.22 6.58 2bdsA13 TRP 16 HE1 -0.01 0.03 -0.11 -0.04 10.20 10.07 2bdsA13 TRP 16 HE3 -0.06 -0.11 0.11 -0.04 7.59 7.48 2bdsA13 TRP 16 HZ2 -0.66 0.01 0.00 -0.04 7.44 6.75 2bdsA13 TRP 16 HZ3 -0.02 -0.03 0.04 -0.04 7.13 7.09 2bdsA13 TRP 16 HH2 -0.13 -0.03 0.03 -0.04 7.19 7.02 2bdsA13 ILE 17 H 0.37 0.09 0.14 -0.55 8.25 8.30 2bdsA13 ILE 17 HA 0.02 0.23 0.74 -0.75 4.18 4.41 2bdsA13 ILE 17 HB 0.08 0.03 -0.01 -0.04 1.89 1.95 2bdsA13 ILE 17 HG12 -0.03 0.06 -0.12 -0.04 1.49 1.37 2bdsA13 ILE 17 HG13 0.12 -0.05 0.08 -0.04 1.21 1.32 2bdsA13 ILE 17 HG23 -0.03 0.04 0.12 -0.04 0.93 1.02 2bdsA13 ILE 17 HD13 0.01 0.01 0.01 -0.04 0.88 0.87 2bdsA13 LEU 18 H -0.05 0.13 0.17 -0.55 8.37 8.07 2bdsA13 LEU 18 HA -0.13 -0.00 0.02 -0.75 4.35 3.49 2bdsA13 LEU 18 HB2 -0.38 -0.07 0.20 -0.04 1.64 1.34 2bdsA13 LEU 18 HB3 -0.58 0.06 0.22 -0.04 1.64 1.30 2bdsA13 LEU 18 HG -0.21 -0.03 0.13 -0.04 1.64 1.49 2bdsA13 LEU 18 HD13 -0.14 0.04 0.18 -0.04 0.93 0.97 2bdsA13 LEU 18 HD23 -0.04 -0.04 0.03 -0.04 0.89 0.81 2bdsA13 ARG 19 H 0.18 0.87 0.32 -0.55 8.46 9.27 2bdsA13 ARG 19 HA 0.18 0.10 0.84 -0.75 4.34 4.71 2bdsA13 ARG 19 HB2 0.15 0.04 -0.04 -0.04 1.90 2.01 2bdsA13 ARG 19 HB3 0.10 0.25 -0.04 -0.04 1.80 2.06 2bdsA13 ARG 19 HG2 0.11 0.00 -0.02 -0.04 1.67 1.72 2bdsA13 ARG 19 HG3 0.12 0.00 -0.36 -0.04 1.67 1.39 2bdsA13 ARG 19 HD2 0.27 -0.16 -0.06 -0.04 3.22 3.23 2bdsA13 ARG 19 HD3 0.15 0.06 -0.00 -0.04 3.22 3.38 2bdsA13 GLY 20 H 0.21 0.16 0.08 -0.55 8.43 8.34 2bdsA13 GLY 20 HA2 0.15 0.07 0.35 -0.51 4.01 4.06 2bdsA13 GLY 20 HA3 0.07 0.00 0.28 -0.51 4.01 3.86 2bdsA13 THR 21 H 0.13 0.04 -0.32 -0.55 8.28 7.58 2bdsA13 THR 21 HA 0.26 0.17 0.65 -0.75 4.39 4.72 2bdsA13 THR 21 HB 0.03 0.09 -0.05 -0.04 4.32 4.35 2bdsA13 THR 21 HG23 -0.04 0.01 -0.23 -0.04 1.22 0.92 2bdsA13 CYS 22 H 0.04 0.13 0.01 -0.55 8.50 8.13 2bdsA13 CYS 22 HA -0.45 0.16 0.60 -0.75 4.58 4.13 2bdsA13 CYS 22 HB2 -0.28 -0.02 -0.02 -0.04 2.97 2.61 2bdsA13 CYS 22 HB3 -0.20 0.05 -0.16 -0.04 2.97 2.62 2bdsA13 PRO 23 HA -0.00 0.08 0.48 -0.51 4.44 4.48 2bdsA13 PRO 23 HB2 0.17 -0.13 0.05 -0.04 2.28 2.34 2bdsA13 PRO 23 HB3 0.10 0.09 0.11 -0.04 2.02 2.27 2bdsA13 PRO 23 HG2 -0.24 0.04 0.11 -0.04 2.03 1.91 2bdsA13 PRO 23 HG3 -0.07 0.08 0.09 -0.04 2.03 2.10 2bdsA13 PRO 23 HD2 -1.08 0.10 0.19 -0.04 3.68 2.85 2bdsA13 PRO 23 HD3 -0.76 0.19 0.19 -0.04 3.65 3.22 2bdsA13 GLY 24 H 0.03 0.20 0.18 -0.55 8.43 8.29 2bdsA13 GLY 24 HA2 0.06 0.17 0.44 -0.51 4.01 4.17 2bdsA13 GLY 24 HA3 0.03 0.07 0.32 -0.51 4.01 3.93 2bdsA13 GLY 25 H 0.08 -0.03 -0.60 -0.55 8.43 7.33 2bdsA13 GLY 25 HA2 0.01 0.21 0.60 -0.51 4.01 4.32 2bdsA13 GLY 25 HA3 0.04 -0.00 0.22 -0.51 4.01 3.76 2bdsA13 TYR 26 H 0.13 0.15 -0.27 -0.55 8.29 7.76 2bdsA13 TYR 26 HA -0.09 0.13 0.57 -0.75 4.56 4.42 2bdsA13 TYR 26 HB2 -0.24 0.07 0.14 -0.04 3.06 2.99 2bdsA13 TYR 26 HB3 -0.78 -0.00 -0.06 -0.04 2.98 2.10 2bdsA13 TYR 26 HD2 -0.04 -0.04 -0.04 -0.04 7.15 6.98 2bdsA13 TYR 26 HE2 0.13 -0.00 -0.01 -0.04 6.85 6.93 2bdsA13 GLY 27 H -0.03 0.04 -0.07 -0.55 8.43 7.83 2bdsA13 GLY 27 HA2 -0.01 0.05 0.22 -0.51 4.01 3.76 2bdsA13 GLY 27 HA3 -0.05 0.18 0.75 -0.51 4.01 4.38 2bdsA13 TYR 28 H -0.22 -0.10 0.03 -0.55 8.29 7.44 2bdsA13 TYR 28 HA 0.04 0.13 0.42 -0.75 4.56 4.40 2bdsA13 TYR 28 HB2 -0.06 -0.05 -0.10 -0.04 3.06 2.81 2bdsA13 TYR 28 HB3 -0.03 0.07 0.09 -0.04 2.98 3.06 2bdsA13 TYR 28 HD2 -0.12 0.12 -0.19 -0.04 7.15 6.91 2bdsA13 TYR 28 HE2 -0.35 0.04 -0.11 -0.04 6.85 6.38 2bdsA13 THR 29 H 0.20 0.29 0.28 -0.55 8.28 8.50 2bdsA13 THR 29 HA 0.08 0.07 0.49 -0.75 4.39 4.28 2bdsA13 THR 29 HB 0.06 -0.05 0.01 -0.04 4.32 4.29 2bdsA13 THR 29 HG23 0.06 0.07 -0.06 -0.04 1.22 1.24 2bdsA13 SER 30 H 0.13 0.12 0.16 -0.55 8.46 8.32 2bdsA13 SER 30 HA 0.07 0.15 0.78 -0.75 4.49 4.74 2bdsA13 SER 30 HB2 0.12 -0.03 -0.12 -0.04 3.95 3.88 2bdsA13 SER 30 HB3 0.06 0.05 0.03 -0.04 3.93 4.02 2bdsA13 ASN 31 H 0.08 0.30 0.22 -0.55 8.53 8.59 2bdsA13 ASN 31 HA 0.09 0.05 0.64 -0.75 4.76 4.79 2bdsA13 ASN 31 HB2 -0.35 0.07 -0.13 -0.04 2.88 2.44 2bdsA13 ASN 31 HB3 -0.26 -0.03 0.06 -0.04 2.79 2.53 2bdsA13 ASN 31 HD21 0.09 0.07 -0.18 -0.04 7.03 6.96 2bdsA13 ASN 31 HD22 -0.11 -0.04 -0.22 -0.04 7.74 7.33 2bdsA13 CYS 32 H 0.00 0.49 0.25 -0.55 8.50 8.70 2bdsA13 CYS 32 HA 0.17 0.14 0.97 -0.75 4.58 5.10 2bdsA13 CYS 32 HB2 0.05 0.03 -0.07 -0.04 2.97 2.94 2bdsA13 CYS 32 HB3 0.05 -0.00 0.12 -0.04 2.97 3.09 2bdsA13 TYR 33 H 0.27 0.18 0.18 -0.55 8.29 8.36 2bdsA13 TYR 33 HA 0.06 0.10 0.84 -0.75 4.56 4.79 2bdsA13 TYR 33 HB2 -0.01 -0.02 0.12 -0.04 3.06 3.11 2bdsA13 TYR 33 HB3 0.04 0.02 -0.01 -0.04 2.98 2.99 2bdsA13 TYR 33 HD2 0.02 0.01 -0.13 -0.04 7.15 7.00 2bdsA13 TYR 33 HE2 -0.04 -0.01 -0.46 -0.04 6.85 6.29 2bdsA13 LYS 34 H 0.15 0.38 0.17 -0.55 8.42 8.56 2bdsA13 LYS 34 HA 0.13 0.10 0.75 -0.75 4.32 4.54 2bdsA13 LYS 34 HB2 0.05 -0.06 -0.03 -0.04 1.87 1.79 2bdsA13 LYS 34 HB3 0.06 0.05 0.09 -0.04 1.79 1.95 2bdsA13 LYS 34 HG2 0.05 -0.02 -0.01 -0.04 1.46 1.44 2bdsA13 LYS 34 HG3 0.07 0.22 -0.15 -0.04 1.46 1.56 2bdsA13 LYS 34 HD2 0.04 -0.03 -0.30 -0.04 1.69 1.35 2bdsA13 LYS 34 HD3 0.01 -0.01 -0.11 -0.04 1.68 1.53 2bdsA13 LYS 34 HE2 0.03 -0.02 -0.06 -0.04 2.99 2.90 2bdsA13 LYS 34 HE3 0.04 -0.03 -0.09 -0.04 2.99 2.87 2bdsA13 TRP 35 H 0.32 0.07 0.01 -0.55 7.97 7.82 2bdsA13 TRP 35 HA 0.04 0.04 0.40 -0.75 4.62 4.35 2bdsA13 TRP 35 HB2 0.04 -0.00 0.11 -0.04 3.23 3.33 2bdsA13 TRP 35 HB3 0.02 0.05 -0.05 -0.04 3.23 3.21 2bdsA13 TRP 35 HD1 0.09 0.11 -0.17 -0.04 7.22 7.21 2bdsA13 TRP 35 HE1 0.05 -0.02 -0.36 -0.04 10.20 9.83 2bdsA13 TRP 35 HE3 0.02 0.01 -0.03 -0.04 7.59 7.54 2bdsA13 TRP 35 HZ2 0.02 -0.00 -0.05 -0.04 7.44 7.37 2bdsA13 TRP 35 HZ3 0.01 -0.00 -0.01 -0.04 7.13 7.08 2bdsA13 TRP 35 HH2 0.01 -0.01 -0.01 -0.04 7.19 7.14 2bdsA13 PRO 36 HA -0.79 0.03 0.33 -0.51 4.44 3.50 2bdsA13 PRO 36 HB2 -0.31 -0.01 0.21 -0.04 2.28 2.14 2bdsA13 PRO 36 HB3 -0.52 0.01 0.15 -0.04 2.02 1.62 2bdsA13 PRO 36 HG2 -0.11 0.02 0.06 -0.04 2.03 1.97 2bdsA13 PRO 36 HG3 -0.11 0.01 0.08 -0.04 2.03 1.97 2bdsA13 PRO 36 HD2 -0.01 0.12 0.22 -0.04 3.68 3.96 2bdsA13 PRO 36 HD3 0.03 0.11 0.22 -0.04 3.65 3.96 2bdsA13 ASN 37 H 0.09 0.42 0.04 -0.55 8.53 8.53 2bdsA13 ASN 37 HA 0.02 0.01 -0.21 -0.75 4.76 3.83 2bdsA13 ASN 37 HB2 0.01 0.05 -0.10 -0.04 2.88 2.81 2bdsA13 ASN 37 HB3 0.01 0.28 0.24 -0.04 2.79 3.28 2bdsA13 ASN 37 HD21 -0.07 -0.05 -0.04 -0.04 7.03 6.83 2bdsA13 ASN 37 HD22 -0.04 0.00 0.09 -0.04 7.74 7.75 2bdsA13 ILE 38 H 0.07 0.46 -0.03 -0.55 8.25 8.20 2bdsA13 ILE 38 HA -0.01 -0.09 0.69 -0.75 4.18 4.01 2bdsA13 ILE 38 HB -0.19 0.05 -0.08 -0.04 1.89 1.62 2bdsA13 ILE 38 HG12 -0.30 -0.14 -0.51 -0.04 1.49 0.50 2bdsA13 ILE 38 HG13 -0.47 0.35 -0.13 -0.04 1.21 0.92 2bdsA13 ILE 38 HG23 0.05 -0.02 -0.14 -0.04 0.93 0.78 2bdsA13 ILE 38 HD13 -1.38 -0.01 -0.31 -0.04 0.88 -0.87 2bdsA13 CYS 39 H -0.07 0.40 0.22 -0.55 8.50 8.50 2bdsA13 CYS 39 HA 0.07 0.15 1.07 -0.75 4.58 5.12 2bdsA13 CYS 39 HB2 0.03 0.03 -0.10 -0.04 2.97 2.89 2bdsA13 CYS 39 HB3 -0.02 -0.06 -0.20 -0.04 2.97 2.65 2bdsA13 CYS 40 H 0.10 0.47 0.21 -0.55 8.50 8.73 2bdsA13 CYS 40 HA -0.31 -0.05 0.57 -0.75 4.58 4.03 2bdsA13 CYS 40 HB2 -0.88 -0.04 0.02 -0.04 2.97 2.02 2bdsA13 CYS 40 HB3 -1.07 0.03 -0.03 -0.04 2.97 1.86 2bdsA13 TYR 41 H -0.09 0.38 0.49 -0.55 8.29 8.53 2bdsA13 TYR 41 HA 0.13 0.13 0.51 -0.75 4.56 4.57 2bdsA13 TYR 41 HB2 0.00 -0.03 -0.25 -0.04 3.06 2.74 2bdsA13 TYR 41 HB3 0.06 -0.06 -0.02 -0.04 2.98 2.91 2bdsA13 TYR 41 HD2 0.06 -0.14 -0.15 -0.04 7.15 6.89 2bdsA13 TYR 41 HE2 0.19 0.11 -0.12 -0.04 6.85 6.99 2bdsA13 PRO 42 HA 0.40 0.04 0.35 -0.51 4.44 4.72 2bdsA13 PRO 42 HB2 0.10 0.10 -0.10 -0.04 2.28 2.33 2bdsA13 PRO 42 HB3 0.13 0.03 0.09 -0.04 2.02 2.23 2bdsA13 PRO 42 HG2 0.10 0.07 0.02 -0.04 2.03 2.18 2bdsA13 PRO 42 HG3 0.10 0.02 0.07 -0.04 2.03 2.19 2bdsA13 PRO 42 HD2 0.24 0.11 0.21 -0.04 3.68 4.20 2bdsA13 PRO 42 HD3 0.18 -0.11 0.35 -0.04 3.65 4.03 2bdsA13 HIS 43 H 0.29 0.16 0.04 -0.55 8.41 8.36 2bdsA13 HIS 43 HA 0.03 0.26 0.59 -0.75 4.63 4.75 2bdsA13 HIS 43 HB2 -0.12 0.07 -0.15 -0.04 3.26 3.03 2bdsA13 HIS 43 HB3 -0.14 -0.02 0.02 -0.04 3.20 3.02 2bdsA13 HIS 43 HD2 0.42 0.01 0.05 -0.04 6.97 7.41 2bdsA13 HIS 43 HE1 0.06 -0.04 -0.05 -0.04 7.75 7.68