============================================================================= 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 11.152 3.511 -3.503 -99.200 -91.000 TRP 16 1.040 -3.622 -0.728 -3.113 -99.200 -91.000 TRP6 16 1.020 -5.733 -1.353 -3.824 -99.200 -91.000 TYR 26 0.840 -7.180 -8.351 -4.292 -99.200 -91.000 TYR 28 0.840 -1.861 -5.496 -1.286 -99.200 -91.000 TYR 33 0.840 -2.960 1.612 5.567 -99.200 -91.000 TRP 35 1.040 -5.688 11.492 4.689 -99.200 -91.000 TRP6 35 1.020 -7.385 10.016 5.167 -99.200 -91.000 TYR 41 0.840 6.199 -2.935 1.362 -99.200 -91.000 HIS 43 0.900 8.086 -4.894 -1.523 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2bdsA9 ALA 1 HA -0.11 -0.04 0.17 -0.75 4.34 3.61 2bdsA9 ALA 1 HB3 -0.09 -0.08 0.13 -0.04 1.41 1.32 2bdsA9 ALA 2 H -0.12 -0.09 0.25 -0.55 8.40 7.88 2bdsA9 ALA 2 HA -0.10 0.06 0.38 -0.75 4.34 3.92 2bdsA9 ALA 2 HB3 -0.11 -0.06 0.23 -0.04 1.41 1.44 2bdsA9 PRO 3 HA -0.21 0.18 0.77 -0.51 4.44 4.67 2bdsA9 PRO 3 HB2 -0.27 -0.01 0.25 -0.04 2.28 2.22 2bdsA9 PRO 3 HB3 -0.13 0.05 0.16 -0.04 2.02 2.06 2bdsA9 PRO 3 HG2 -0.15 -0.02 0.06 -0.04 2.03 1.88 2bdsA9 PRO 3 HG3 -0.09 0.03 0.09 -0.04 2.03 2.01 2bdsA9 PRO 3 HD2 -0.13 0.03 0.18 -0.04 3.68 3.72 2bdsA9 PRO 3 HD3 -0.10 0.17 0.16 -0.04 3.65 3.84 2bdsA9 CYS 4 H -0.19 0.40 -0.80 -0.55 8.50 7.36 2bdsA9 CYS 4 HA -0.44 0.02 0.38 -0.75 4.58 3.78 2bdsA9 CYS 4 HB2 -0.10 -0.04 -0.00 -0.04 2.97 2.79 2bdsA9 CYS 4 HB3 -0.10 0.02 0.01 -0.04 2.97 2.86 2bdsA9 PHE 5 H -0.59 0.06 0.13 -0.55 8.34 7.38 2bdsA9 PHE 5 HA 0.09 0.07 0.11 -0.75 4.62 4.13 2bdsA9 PHE 5 HB2 0.03 -0.01 -0.10 -0.04 3.15 3.03 2bdsA9 PHE 5 HB3 0.06 0.05 -0.01 -0.04 3.06 3.12 2bdsA9 PHE 5 HD2 0.02 -0.00 -0.09 -0.04 7.28 7.16 2bdsA9 PHE 5 HE2 0.00 -0.03 0.05 -0.04 7.38 7.37 2bdsA9 PHE 5 HZ 0.00 -0.06 0.05 -0.04 7.32 7.27 2bdsA9 CYS 6 H 0.22 0.40 0.03 -0.55 8.50 8.60 2bdsA9 CYS 6 HA -0.02 0.14 0.65 -0.75 4.58 4.59 2bdsA9 CYS 6 HB2 -0.89 0.12 -0.00 -0.04 2.97 2.16 2bdsA9 CYS 6 HB3 -0.41 -0.02 -0.01 -0.04 2.97 2.49 2bdsA9 SER 7 H -0.09 0.10 0.09 -0.55 8.46 8.02 2bdsA9 SER 7 HA 0.00 0.06 0.38 -0.75 4.49 4.18 2bdsA9 SER 7 HB2 -0.00 0.03 0.03 -0.04 3.95 3.97 2bdsA9 SER 7 HB3 0.00 0.02 0.11 -0.04 3.93 4.02 2bdsA9 GLY 8 H -0.00 0.17 0.14 -0.55 8.43 8.20 2bdsA9 GLY 8 HA2 -0.00 -0.01 0.34 -0.51 4.01 3.82 2bdsA9 GLY 8 HA3 -0.01 0.07 0.40 -0.51 4.01 3.96 2bdsA9 LYS 9 H -0.03 0.08 -1.60 -0.55 8.42 6.32 2bdsA9 LYS 9 HA 0.08 0.17 0.79 -0.75 4.32 4.60 2bdsA9 LYS 9 HB2 -0.24 -0.13 -0.10 -0.04 1.87 1.36 2bdsA9 LYS 9 HB3 0.23 0.13 -0.04 -0.04 1.79 2.07 2bdsA9 LYS 9 HG2 0.14 0.01 -0.02 -0.04 1.46 1.55 2bdsA9 LYS 9 HG3 0.01 0.01 -0.23 -0.04 1.46 1.21 2bdsA9 LYS 9 HD2 -0.23 -0.00 -0.07 -0.04 1.69 1.35 2bdsA9 LYS 9 HD3 -0.13 0.00 -0.03 -0.04 1.68 1.48 2bdsA9 LYS 9 HE2 0.07 0.00 -0.02 -0.04 2.99 3.00 2bdsA9 LYS 9 HE3 0.00 0.01 -0.04 -0.04 2.99 2.92 2bdsA9 PRO 10 HA 0.11 0.12 0.48 -0.51 4.44 4.64 2bdsA9 PRO 10 HB2 0.08 -0.04 0.13 -0.04 2.28 2.41 2bdsA9 PRO 10 HB3 -0.02 0.03 0.09 -0.04 2.02 2.07 2bdsA9 PRO 10 HG2 0.08 0.02 0.01 -0.04 2.03 2.10 2bdsA9 PRO 10 HG3 0.03 0.03 0.03 -0.04 2.03 2.08 2bdsA9 PRO 10 HD2 0.12 0.07 0.17 -0.04 3.68 4.00 2bdsA9 PRO 10 HD3 0.06 0.34 0.13 -0.04 3.65 4.13 2bdsA9 GLY 11 H 0.20 0.10 0.09 -0.55 8.43 8.28 2bdsA9 GLY 11 HA2 0.18 -0.02 0.34 -0.51 4.01 4.00 2bdsA9 GLY 11 HA3 0.30 0.12 0.65 -0.51 4.01 4.57 2bdsA9 ARG 12 H -1.01 0.28 0.18 -0.55 8.46 7.35 2bdsA9 ARG 12 HA -0.23 0.13 0.19 -0.75 4.34 3.67 2bdsA9 ARG 12 HB2 -0.23 0.05 0.03 -0.04 1.90 1.70 2bdsA9 ARG 12 HB3 -0.18 0.02 -0.38 -0.04 1.80 1.23 2bdsA9 ARG 12 HG2 -0.20 -0.05 -0.11 -0.04 1.67 1.27 2bdsA9 ARG 12 HG3 -0.91 -0.02 -0.10 -0.04 1.67 0.60 2bdsA9 ARG 12 HD2 -0.10 0.03 -0.10 -0.04 3.22 3.00 2bdsA9 ARG 12 HD3 -0.04 -0.05 -0.10 -0.04 3.22 2.98 2bdsA9 GLY 13 H -0.17 0.13 -0.15 -0.55 8.43 7.70 2bdsA9 GLY 13 HA2 -0.00 0.12 0.65 -0.51 4.01 4.26 2bdsA9 GLY 13 HA3 0.21 -0.00 0.15 -0.51 4.01 3.86 2bdsA9 ASP 14 H 0.13 0.48 0.23 -0.55 8.40 8.69 2bdsA9 ASP 14 HA 0.00 0.15 0.56 -0.75 4.63 4.58 2bdsA9 ASP 14 HB2 0.42 -0.08 0.23 -0.04 2.71 3.24 2bdsA9 ASP 14 HB3 0.21 -0.00 -0.01 -0.04 2.70 2.85 2bdsA9 LEU 15 H -0.10 -0.04 0.31 -0.55 8.37 7.99 2bdsA9 LEU 15 HA 0.01 0.13 0.93 -0.75 4.35 4.66 2bdsA9 LEU 15 HB2 -0.07 -0.00 0.13 -0.04 1.64 1.65 2bdsA9 LEU 15 HB3 -0.12 -0.11 0.30 -0.04 1.64 1.67 2bdsA9 LEU 15 HG -0.09 0.01 -0.20 -0.04 1.64 1.32 2bdsA9 LEU 15 HD13 -0.02 0.08 -0.02 -0.04 0.93 0.93 2bdsA9 LEU 15 HD23 -0.07 -0.02 0.00 -0.04 0.89 0.76 2bdsA9 TRP 16 H 0.20 0.63 0.61 -0.55 7.97 8.86 2bdsA9 TRP 16 HA -0.07 0.07 0.73 -0.75 4.62 4.60 2bdsA9 TRP 16 HB2 -0.16 0.13 0.01 -0.04 3.23 3.17 2bdsA9 TRP 16 HB3 -0.11 -0.06 0.08 -0.04 3.23 3.09 2bdsA9 TRP 16 HD1 -0.12 0.18 -0.13 -0.04 7.22 7.11 2bdsA9 TRP 16 HE1 0.27 -0.00 -0.06 -0.04 10.20 10.36 2bdsA9 TRP 16 HE3 -0.07 -0.08 0.06 -0.04 7.59 7.46 2bdsA9 TRP 16 HZ2 -0.09 -0.01 -0.00 -0.04 7.44 7.30 2bdsA9 TRP 16 HZ3 -0.07 -0.01 0.02 -0.04 7.13 7.03 2bdsA9 TRP 16 HH2 -0.19 -0.01 0.02 -0.04 7.19 6.97 2bdsA9 ILE 17 H 0.31 0.06 0.09 -0.55 8.25 8.16 2bdsA9 ILE 17 HA -0.03 0.21 0.78 -0.75 4.18 4.39 2bdsA9 ILE 17 HB -0.00 0.04 0.04 -0.04 1.89 1.92 2bdsA9 ILE 17 HG12 -0.05 0.05 -0.11 -0.04 1.49 1.34 2bdsA9 ILE 17 HG13 0.10 -0.03 0.07 -0.04 1.21 1.31 2bdsA9 ILE 17 HG23 -0.07 0.03 0.10 -0.04 0.93 0.95 2bdsA9 ILE 17 HD13 -0.03 0.01 0.01 -0.04 0.88 0.83 2bdsA9 LEU 18 H -0.12 0.12 0.16 -0.55 8.37 7.98 2bdsA9 LEU 18 HA -0.36 0.01 0.00 -0.75 4.35 3.24 2bdsA9 LEU 18 HB2 -0.32 -0.08 0.23 -0.04 1.64 1.43 2bdsA9 LEU 18 HB3 -0.73 -0.05 0.16 -0.04 1.64 0.97 2bdsA9 LEU 18 HG -0.21 0.10 0.27 -0.04 1.64 1.76 2bdsA9 LEU 18 HD13 -0.09 -0.03 0.08 -0.04 0.93 0.85 2bdsA9 LEU 18 HD23 -0.19 -0.02 0.10 -0.04 0.89 0.74 2bdsA9 ARG 19 H -0.03 0.78 0.34 -0.55 8.46 8.99 2bdsA9 ARG 19 HA 0.03 0.10 0.82 -0.75 4.34 4.53 2bdsA9 ARG 19 HB2 0.03 0.07 -0.07 -0.04 1.90 1.89 2bdsA9 ARG 19 HB3 -0.01 0.17 -0.09 -0.04 1.80 1.83 2bdsA9 ARG 19 HG2 0.04 0.01 -0.06 -0.04 1.67 1.62 2bdsA9 ARG 19 HG3 0.07 -0.09 -0.48 -0.04 1.67 1.12 2bdsA9 ARG 19 HD2 0.29 -0.06 -0.06 -0.04 3.22 3.36 2bdsA9 ARG 19 HD3 0.17 -0.01 -0.05 -0.04 3.22 3.29 2bdsA9 GLY 20 H 0.09 0.14 0.09 -0.55 8.43 8.21 2bdsA9 GLY 20 HA2 0.19 0.07 0.36 -0.51 4.01 4.12 2bdsA9 GLY 20 HA3 0.10 -0.00 0.29 -0.51 4.01 3.88 2bdsA9 THR 21 H 0.07 0.07 -0.20 -0.55 8.28 7.67 2bdsA9 THR 21 HA 0.28 0.16 0.54 -0.75 4.39 4.62 2bdsA9 THR 21 HB 0.01 0.14 -0.07 -0.04 4.32 4.35 2bdsA9 THR 21 HG23 0.01 0.04 -0.01 -0.04 1.22 1.22 2bdsA9 CYS 22 H -0.02 0.13 -0.01 -0.55 8.50 8.05 2bdsA9 CYS 22 HA -0.61 0.13 0.49 -0.75 4.58 3.84 2bdsA9 CYS 22 HB2 -0.28 -0.01 -0.03 -0.04 2.97 2.61 2bdsA9 CYS 22 HB3 -0.14 0.02 -0.21 -0.04 2.97 2.59 2bdsA9 PRO 23 HA -0.09 0.05 0.24 -0.51 4.44 4.13 2bdsA9 PRO 23 HB2 -0.06 -0.03 0.15 -0.04 2.28 2.30 2bdsA9 PRO 23 HB3 -0.09 0.06 0.09 -0.04 2.02 2.03 2bdsA9 PRO 23 HG2 -0.65 0.01 0.08 -0.04 2.03 1.43 2bdsA9 PRO 23 HG3 -0.39 0.07 0.08 -0.04 2.03 1.75 2bdsA9 PRO 23 HD2 -0.72 0.08 0.10 -0.04 3.68 3.11 2bdsA9 PRO 23 HD3 -1.26 0.16 0.18 -0.04 3.65 2.69 2bdsA9 GLY 24 H -0.01 0.16 0.23 -0.55 8.43 8.26 2bdsA9 GLY 24 HA2 0.04 0.09 0.17 -0.51 4.01 3.81 2bdsA9 GLY 24 HA3 0.05 -0.12 0.35 -0.51 4.01 3.78 2bdsA9 GLY 25 H 0.12 0.20 -0.10 -0.55 8.43 8.11 2bdsA9 GLY 25 HA2 0.05 0.24 0.87 -0.51 4.01 4.66 2bdsA9 GLY 25 HA3 0.04 -0.07 0.36 -0.51 4.01 3.83 2bdsA9 TYR 26 H 0.18 0.23 -0.03 -0.55 8.29 8.12 2bdsA9 TYR 26 HA -0.05 0.18 0.79 -0.75 4.56 4.72 2bdsA9 TYR 26 HB2 -0.04 0.16 0.12 -0.04 3.06 3.26 2bdsA9 TYR 26 HB3 -0.29 -0.16 0.16 -0.04 2.98 2.66 2bdsA9 TYR 26 HD2 -0.09 -0.03 -0.01 -0.04 7.15 6.98 2bdsA9 TYR 26 HE2 0.03 0.00 0.01 -0.04 6.85 6.85 2bdsA9 GLY 27 H -0.03 0.11 0.13 -0.55 8.43 8.10 2bdsA9 GLY 27 HA2 -0.03 0.14 0.46 -0.51 4.01 4.07 2bdsA9 GLY 27 HA3 -0.08 -0.02 0.34 -0.51 4.01 3.75 2bdsA9 TYR 28 H 0.03 -0.12 -0.67 -0.55 8.29 6.98 2bdsA9 TYR 28 HA 0.06 0.12 0.67 -0.75 4.56 4.66 2bdsA9 TYR 28 HB2 0.00 -0.05 -0.18 -0.04 3.06 2.79 2bdsA9 TYR 28 HB3 0.02 0.07 0.03 -0.04 2.98 3.05 2bdsA9 TYR 28 HD2 -0.06 0.01 -0.22 -0.04 7.15 6.85 2bdsA9 TYR 28 HE2 -0.04 0.01 -0.12 -0.04 6.85 6.66 2bdsA9 THR 29 H 0.20 0.19 0.22 -0.55 8.28 8.34 2bdsA9 THR 29 HA 0.09 0.11 0.43 -0.75 4.39 4.27 2bdsA9 THR 29 HB 0.06 -0.03 -0.04 -0.04 4.32 4.27 2bdsA9 THR 29 HG23 0.06 0.04 -0.06 -0.04 1.22 1.22 2bdsA9 SER 30 H 0.13 0.05 0.08 -0.55 8.46 8.17 2bdsA9 SER 30 HA 0.08 0.18 0.76 -0.75 4.49 4.74 2bdsA9 SER 30 HB2 0.14 0.05 -0.03 -0.04 3.95 4.07 2bdsA9 SER 30 HB3 0.10 0.05 0.03 -0.04 3.93 4.07 2bdsA9 ASN 31 H 0.08 0.30 0.21 -0.55 8.53 8.57 2bdsA9 ASN 31 HA -0.02 -0.12 0.69 -0.75 4.76 4.55 2bdsA9 ASN 31 HB2 -0.35 0.12 -0.09 -0.04 2.88 2.53 2bdsA9 ASN 31 HB3 -0.28 -0.00 0.11 -0.04 2.79 2.58 2bdsA9 ASN 31 HD21 -0.12 -0.03 -0.24 -0.04 7.03 6.60 2bdsA9 ASN 31 HD22 0.08 0.05 -0.17 -0.04 7.74 7.66 2bdsA9 CYS 32 H -0.13 0.41 0.32 -0.55 8.50 8.56 2bdsA9 CYS 32 HA 0.14 0.15 1.00 -0.75 4.58 5.11 2bdsA9 CYS 32 HB2 -0.00 0.02 0.01 -0.04 2.97 2.96 2bdsA9 CYS 32 HB3 -0.09 -0.03 0.09 -0.04 2.97 2.90 2bdsA9 TYR 33 H 0.26 0.16 0.20 -0.55 8.29 8.36 2bdsA9 TYR 33 HA 0.03 0.12 0.85 -0.75 4.56 4.81 2bdsA9 TYR 33 HB2 0.05 -0.03 0.16 -0.04 3.06 3.20 2bdsA9 TYR 33 HB3 0.11 0.04 0.02 -0.04 2.98 3.11 2bdsA9 TYR 33 HD2 0.03 0.01 -0.12 -0.04 7.15 7.02 2bdsA9 TYR 33 HE2 -0.04 0.02 -0.36 -0.04 6.85 6.43 2bdsA9 LYS 34 H 0.07 0.28 0.08 -0.55 8.42 8.30 2bdsA9 LYS 34 HA 0.13 0.17 0.84 -0.75 4.32 4.70 2bdsA9 LYS 34 HB2 0.03 -0.06 -0.06 -0.04 1.87 1.75 2bdsA9 LYS 34 HB3 0.06 0.06 0.04 -0.04 1.79 1.90 2bdsA9 LYS 34 HG2 0.06 0.04 -0.14 -0.04 1.46 1.38 2bdsA9 LYS 34 HG3 0.04 -0.13 -0.61 -0.04 1.46 0.73 2bdsA9 LYS 34 HD2 0.01 -0.06 -0.15 -0.04 1.69 1.45 2bdsA9 LYS 34 HD3 0.03 0.01 -0.10 -0.04 1.68 1.57 2bdsA9 LYS 34 HE2 0.05 0.00 -0.11 -0.04 2.99 2.90 2bdsA9 LYS 34 HE3 0.04 -0.07 -0.15 -0.04 2.99 2.77 2bdsA9 TRP 35 H 0.35 0.12 -0.12 -0.55 7.97 7.77 2bdsA9 TRP 35 HA 0.05 0.02 0.40 -0.75 4.62 4.34 2bdsA9 TRP 35 HB2 0.05 0.03 0.09 -0.04 3.23 3.35 2bdsA9 TRP 35 HB3 0.03 0.01 0.01 -0.04 3.23 3.24 2bdsA9 TRP 35 HD1 0.02 0.04 -0.37 -0.04 7.22 6.88 2bdsA9 TRP 35 HE1 0.02 -0.00 -0.01 -0.04 10.20 10.16 2bdsA9 TRP 35 HE3 0.06 0.03 -0.04 -0.04 7.59 7.60 2bdsA9 TRP 35 HZ2 0.02 -0.01 -0.00 -0.04 7.44 7.40 2bdsA9 TRP 35 HZ3 0.04 0.01 -0.14 -0.04 7.13 7.00 2bdsA9 TRP 35 HH2 0.02 -0.01 -0.05 -0.04 7.19 7.11 2bdsA9 PRO 36 HA -2.35 0.03 0.30 -0.51 4.44 1.92 2bdsA9 PRO 36 HB2 -0.42 -0.01 0.21 -0.04 2.28 2.02 2bdsA9 PRO 36 HB3 -0.74 0.01 0.15 -0.04 2.02 1.40 2bdsA9 PRO 36 HG2 -0.11 0.02 0.08 -0.04 2.03 1.97 2bdsA9 PRO 36 HG3 -0.02 0.01 0.07 -0.04 2.03 2.05 2bdsA9 PRO 36 HD2 -0.04 0.11 0.28 -0.04 3.68 3.98 2bdsA9 PRO 36 HD3 0.13 0.10 0.12 -0.04 3.65 3.96 2bdsA9 ASN 37 H -0.12 0.36 -0.14 -0.55 8.53 8.08 2bdsA9 ASN 37 HA -0.14 0.02 -0.17 -0.75 4.76 3.71 2bdsA9 ASN 37 HB2 -0.04 0.07 -0.09 -0.04 2.88 2.78 2bdsA9 ASN 37 HB3 -0.05 0.23 0.20 -0.04 2.79 3.13 2bdsA9 ASN 37 HD21 -0.10 -0.04 -0.11 -0.04 7.03 6.74 2bdsA9 ASN 37 HD22 -0.08 -0.02 -0.00 -0.04 7.74 7.59 2bdsA9 ILE 38 H -0.01 0.56 0.01 -0.55 8.25 8.27 2bdsA9 ILE 38 HA -0.07 -0.28 0.66 -0.75 4.18 3.73 2bdsA9 ILE 38 HB -0.27 0.06 -0.04 -0.04 1.89 1.60 2bdsA9 ILE 38 HG12 -0.27 -0.18 -0.60 -0.04 1.49 0.40 2bdsA9 ILE 38 HG13 -0.50 0.53 -0.02 -0.04 1.21 1.18 2bdsA9 ILE 38 HG23 -0.01 -0.03 -0.23 -0.04 0.93 0.62 2bdsA9 ILE 38 HD13 -1.36 -0.02 -0.30 -0.04 0.88 -0.84 2bdsA9 CYS 39 H -0.08 0.30 0.24 -0.55 8.50 8.41 2bdsA9 CYS 39 HA 0.11 0.21 1.08 -0.75 4.58 5.23 2bdsA9 CYS 39 HB2 0.04 -0.02 -0.18 -0.04 2.97 2.77 2bdsA9 CYS 39 HB3 0.05 0.04 -0.47 -0.04 2.97 2.55 2bdsA9 CYS 40 H 0.15 0.59 0.31 -0.55 8.50 9.01 2bdsA9 CYS 40 HA -0.28 0.02 0.86 -0.75 4.58 4.43 2bdsA9 CYS 40 HB2 -0.51 -0.02 -0.06 -0.04 2.97 2.34 2bdsA9 CYS 40 HB3 -0.79 -0.02 0.08 -0.04 2.97 2.20 2bdsA9 TYR 41 H -0.03 0.26 0.49 -0.55 8.29 8.45 2bdsA9 TYR 41 HA 0.14 0.20 0.51 -0.75 4.56 4.65 2bdsA9 TYR 41 HB2 0.01 -0.15 -0.25 -0.04 3.06 2.63 2bdsA9 TYR 41 HB3 0.06 -0.08 0.01 -0.04 2.98 2.93 2bdsA9 TYR 41 HD2 0.06 -0.15 -0.24 -0.04 7.15 6.78 2bdsA9 TYR 41 HE2 0.13 -0.05 -0.17 -0.04 6.85 6.73 2bdsA9 PRO 42 HA 0.21 0.07 0.36 -0.51 4.44 4.56 2bdsA9 PRO 42 HB2 -0.03 0.03 0.00 -0.04 2.28 2.24 2bdsA9 PRO 42 HB3 0.04 0.04 0.09 -0.04 2.02 2.15 2bdsA9 PRO 42 HG2 0.07 0.13 0.14 -0.04 2.03 2.33 2bdsA9 PRO 42 HG3 0.09 0.02 0.14 -0.04 2.03 2.24 2bdsA9 PRO 42 HD2 0.26 0.18 0.13 -0.04 3.68 4.22 2bdsA9 PRO 42 HD3 0.20 -0.26 0.61 -0.04 3.65 4.16 2bdsA9 HIS 43 H 0.06 0.19 -0.03 -0.55 8.41 8.08 2bdsA9 HIS 43 HA -0.07 0.04 0.18 -0.75 4.63 4.02 2bdsA9 HIS 43 HB2 -0.22 -0.04 0.01 -0.04 3.26 2.98 2bdsA9 HIS 43 HB3 -0.71 -0.04 -0.33 -0.04 3.20 2.09 2bdsA9 HIS 43 HD2 -0.10 -0.06 0.04 -0.04 6.97 6.80 2bdsA9 HIS 43 HE1 0.17 0.22 0.17 -0.04 7.75 8.27