============================================================================= 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 10.458 3.674 -3.305 -99.200 -91.000 TRP 16 1.040 -3.774 -0.819 -2.942 -99.200 -91.000 TRP6 16 1.020 -5.893 -1.445 -3.610 -99.200 -91.000 TYR 26 0.840 -6.911 -6.685 -4.845 -99.200 -91.000 TYR 28 0.840 -2.178 -5.390 -0.907 -99.200 -91.000 TYR 33 0.840 -2.781 1.584 6.002 -99.200 -91.000 TRP 35 1.040 -6.766 9.486 4.259 -99.200 -91.000 TRP6 35 1.020 -8.208 11.298 4.372 -99.200 -91.000 TYR 41 0.840 6.205 -2.761 1.183 -99.200 -91.000 HIS 43 0.900 7.922 -4.899 -1.894 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2bdsA14 ALA 1 HA -0.07 -0.06 0.18 -0.75 4.34 3.63 2bdsA14 ALA 1 HB3 0.01 -0.04 0.09 -0.04 1.41 1.43 2bdsA14 ALA 2 H -0.09 -0.19 0.26 -0.55 8.40 7.84 2bdsA14 ALA 2 HA -0.10 0.03 0.39 -0.75 4.34 3.90 2bdsA14 ALA 2 HB3 -0.11 -0.14 0.23 -0.04 1.41 1.35 2bdsA14 PRO 3 HA -0.19 0.20 0.80 -0.51 4.44 4.74 2bdsA14 PRO 3 HB2 -0.17 -0.01 0.24 -0.04 2.28 2.30 2bdsA14 PRO 3 HB3 -0.09 0.04 0.18 -0.04 2.02 2.11 2bdsA14 PRO 3 HG2 -0.11 -0.01 0.05 -0.04 2.03 1.91 2bdsA14 PRO 3 HG3 -0.07 0.03 0.08 -0.04 2.03 2.02 2bdsA14 PRO 3 HD2 -0.13 0.03 0.19 -0.04 3.68 3.73 2bdsA14 PRO 3 HD3 -0.09 0.17 0.13 -0.04 3.65 3.81 2bdsA14 CYS 4 H -0.23 0.16 -0.89 -0.55 8.50 6.99 2bdsA14 CYS 4 HA -0.73 0.04 0.48 -0.75 4.58 3.62 2bdsA14 CYS 4 HB2 -0.13 0.03 -0.06 -0.04 2.97 2.76 2bdsA14 CYS 4 HB3 -0.16 -0.09 0.01 -0.04 2.97 2.69 2bdsA14 PHE 5 H -1.44 0.08 0.05 -0.55 8.34 6.47 2bdsA14 PHE 5 HA 0.21 0.12 -0.15 -0.75 4.62 4.04 2bdsA14 PHE 5 HB2 0.05 0.08 -0.05 -0.04 3.15 3.19 2bdsA14 PHE 5 HB3 0.11 0.04 -0.11 -0.04 3.06 3.06 2bdsA14 PHE 5 HD2 0.03 0.01 -0.19 -0.04 7.28 7.08 2bdsA14 PHE 5 HE2 0.01 -0.03 0.05 -0.04 7.38 7.37 2bdsA14 PHE 5 HZ 0.01 -0.06 0.05 -0.04 7.32 7.27 2bdsA14 CYS 6 H 0.19 0.40 0.07 -0.55 8.50 8.62 2bdsA14 CYS 6 HA -0.00 0.18 0.78 -0.75 4.58 4.78 2bdsA14 CYS 6 HB2 -1.18 0.09 -0.02 -0.04 2.97 1.82 2bdsA14 CYS 6 HB3 -0.38 -0.04 0.01 -0.04 2.97 2.51 2bdsA14 SER 7 H -0.08 0.13 0.10 -0.55 8.46 8.07 2bdsA14 SER 7 HA -0.00 0.07 0.50 -0.75 4.49 4.30 2bdsA14 SER 7 HB2 0.01 0.03 0.07 -0.04 3.95 4.02 2bdsA14 SER 7 HB3 -0.01 -0.02 0.19 -0.04 3.93 4.05 2bdsA14 GLY 8 H -0.01 0.20 0.18 -0.55 8.43 8.24 2bdsA14 GLY 8 HA2 -0.01 -0.02 0.33 -0.51 4.01 3.80 2bdsA14 GLY 8 HA3 -0.02 0.14 0.63 -0.51 4.01 4.25 2bdsA14 LYS 9 H -0.04 0.19 -0.75 -0.55 8.42 7.26 2bdsA14 LYS 9 HA 0.06 0.21 0.90 -0.75 4.32 4.74 2bdsA14 LYS 9 HB2 -0.29 -0.17 -0.06 -0.04 1.87 1.32 2bdsA14 LYS 9 HB3 0.27 0.18 -0.02 -0.04 1.79 2.17 2bdsA14 LYS 9 HG2 0.05 0.04 -0.05 -0.04 1.46 1.46 2bdsA14 LYS 9 HG3 0.02 0.07 -0.17 -0.04 1.46 1.34 2bdsA14 LYS 9 HD2 -0.07 0.02 -0.20 -0.04 1.69 1.40 2bdsA14 LYS 9 HD3 -0.23 -0.03 -0.32 -0.04 1.68 1.06 2bdsA14 LYS 9 HE2 -0.15 -0.03 -0.09 -0.04 2.99 2.68 2bdsA14 LYS 9 HE3 -0.60 0.00 -0.08 -0.04 2.99 2.27 2bdsA14 PRO 10 HA 0.04 0.10 0.56 -0.51 4.44 4.62 2bdsA14 PRO 10 HB2 0.06 0.02 0.03 -0.04 2.28 2.36 2bdsA14 PRO 10 HB3 -0.02 0.01 0.09 -0.04 2.02 2.05 2bdsA14 PRO 10 HG2 0.07 0.03 0.02 -0.04 2.03 2.11 2bdsA14 PRO 10 HG3 0.02 0.02 0.03 -0.04 2.03 2.07 2bdsA14 PRO 10 HD2 0.11 0.11 0.21 -0.04 3.68 4.07 2bdsA14 PRO 10 HD3 0.04 0.22 0.06 -0.04 3.65 3.94 2bdsA14 GLY 11 H 0.17 0.10 0.09 -0.55 8.43 8.24 2bdsA14 GLY 11 HA2 0.15 -0.03 0.34 -0.51 4.01 3.96 2bdsA14 GLY 11 HA3 0.22 0.17 0.75 -0.51 4.01 4.65 2bdsA14 ARG 12 H -0.36 0.34 0.08 -0.55 8.46 7.97 2bdsA14 ARG 12 HA -0.20 0.07 -0.08 -0.75 4.34 3.38 2bdsA14 ARG 12 HB2 -0.25 0.13 0.08 -0.04 1.90 1.82 2bdsA14 ARG 12 HB3 -0.17 0.06 -0.29 -0.04 1.80 1.36 2bdsA14 ARG 12 HG2 -0.40 -0.10 -0.17 -0.04 1.67 0.96 2bdsA14 ARG 12 HG3 -1.28 0.03 -0.30 -0.04 1.67 0.07 2bdsA14 ARG 12 HD2 -0.12 0.01 -0.07 -0.04 3.22 2.99 2bdsA14 ARG 12 HD3 -0.09 -0.12 -0.11 -0.04 3.22 2.86 2bdsA14 GLY 13 H -0.20 0.11 -0.16 -0.55 8.43 7.63 2bdsA14 GLY 13 HA2 -0.21 0.00 0.29 -0.51 4.01 3.58 2bdsA14 GLY 13 HA3 0.19 0.07 0.19 -0.51 4.01 3.94 2bdsA14 ASP 14 H 0.11 0.66 0.16 -0.55 8.40 8.79 2bdsA14 ASP 14 HA 0.04 0.02 0.79 -0.75 4.63 4.72 2bdsA14 ASP 14 HB2 0.42 0.04 0.24 -0.04 2.71 3.37 2bdsA14 ASP 14 HB3 0.37 -0.05 0.02 -0.04 2.70 3.00 2bdsA14 LEU 15 H -0.09 -0.04 0.27 -0.55 8.37 7.97 2bdsA14 LEU 15 HA 0.03 0.20 0.94 -0.75 4.35 4.76 2bdsA14 LEU 15 HB2 -0.06 0.02 0.06 -0.04 1.64 1.62 2bdsA14 LEU 15 HB3 -0.11 -0.09 0.29 -0.04 1.64 1.69 2bdsA14 LEU 15 HG -0.09 -0.05 -0.09 -0.04 1.64 1.37 2bdsA14 LEU 15 HD13 -0.01 0.09 -0.12 -0.04 0.93 0.84 2bdsA14 LEU 15 HD23 -0.06 -0.02 -0.01 -0.04 0.89 0.76 2bdsA14 TRP 16 H 0.25 0.58 0.53 -0.55 7.97 8.79 2bdsA14 TRP 16 HA -0.04 0.05 0.70 -0.75 4.62 4.57 2bdsA14 TRP 16 HB2 -0.13 0.08 0.10 -0.04 3.23 3.24 2bdsA14 TRP 16 HB3 -0.07 0.01 0.06 -0.04 3.23 3.18 2bdsA14 TRP 16 HD1 -0.11 0.08 -0.16 -0.04 7.22 7.00 2bdsA14 TRP 16 HE1 0.33 0.03 -0.04 -0.04 10.20 10.49 2bdsA14 TRP 16 HE3 -0.05 -0.05 0.08 -0.04 7.59 7.53 2bdsA14 TRP 16 HZ2 -0.09 0.01 0.02 -0.04 7.44 7.33 2bdsA14 TRP 16 HZ3 -0.11 -0.01 0.03 -0.04 7.13 7.01 2bdsA14 TRP 16 HH2 -0.49 -0.02 0.03 -0.04 7.19 6.67 2bdsA14 ILE 17 H 0.23 0.06 0.14 -0.55 8.25 8.13 2bdsA14 ILE 17 HA -0.01 0.17 0.54 -0.75 4.18 4.12 2bdsA14 ILE 17 HB 0.02 0.03 0.04 -0.04 1.89 1.94 2bdsA14 ILE 17 HG12 -0.04 0.03 0.05 -0.04 1.49 1.49 2bdsA14 ILE 17 HG13 -0.06 0.00 0.08 -0.04 1.21 1.20 2bdsA14 ILE 17 HG23 -0.07 0.02 0.12 -0.04 0.93 0.96 2bdsA14 ILE 17 HD13 0.11 -0.00 0.04 -0.04 0.88 0.99 2bdsA14 LEU 18 H -0.10 0.14 0.17 -0.55 8.37 8.03 2bdsA14 LEU 18 HA -0.18 -0.06 -0.13 -0.75 4.35 3.22 2bdsA14 LEU 18 HB2 -0.38 -0.07 0.20 -0.04 1.64 1.35 2bdsA14 LEU 18 HB3 -0.85 -0.06 0.19 -0.04 1.64 0.88 2bdsA14 LEU 18 HG -0.21 0.06 0.25 -0.04 1.64 1.70 2bdsA14 LEU 18 HD13 -0.05 -0.03 0.03 -0.04 0.93 0.84 2bdsA14 LEU 18 HD23 -0.30 -0.01 0.11 -0.04 0.89 0.64 2bdsA14 ARG 19 H 0.12 0.77 0.25 -0.55 8.46 9.05 2bdsA14 ARG 19 HA 0.14 0.14 0.80 -0.75 4.34 4.68 2bdsA14 ARG 19 HB2 0.15 0.07 -0.03 -0.04 1.90 2.05 2bdsA14 ARG 19 HB3 0.06 0.13 0.05 -0.04 1.80 2.00 2bdsA14 ARG 19 HG2 0.10 0.03 -0.07 -0.04 1.67 1.69 2bdsA14 ARG 19 HG3 0.12 -0.08 -0.47 -0.04 1.67 1.20 2bdsA14 ARG 19 HD2 0.40 -0.08 -0.03 -0.04 3.22 3.47 2bdsA14 ARG 19 HD3 0.09 0.05 -0.01 -0.04 3.22 3.32 2bdsA14 GLY 20 H 0.28 0.18 -0.10 -0.55 8.43 8.24 2bdsA14 GLY 20 HA2 0.29 0.14 0.41 -0.51 4.01 4.34 2bdsA14 GLY 20 HA3 0.13 -0.07 0.29 -0.51 4.01 3.85 2bdsA14 THR 21 H 0.10 0.10 -0.63 -0.55 8.28 7.30 2bdsA14 THR 21 HA 0.23 0.08 0.60 -0.75 4.39 4.55 2bdsA14 THR 21 HB 0.01 0.09 -0.08 -0.04 4.32 4.30 2bdsA14 THR 21 HG23 -0.02 -0.01 -0.15 -0.04 1.22 1.00 2bdsA14 CYS 22 H 0.01 0.11 0.05 -0.55 8.50 8.13 2bdsA14 CYS 22 HA -0.47 0.14 0.60 -0.75 4.58 4.09 2bdsA14 CYS 22 HB2 -0.23 -0.03 0.04 -0.04 2.97 2.71 2bdsA14 CYS 22 HB3 -0.11 0.08 -0.10 -0.04 2.97 2.80 2bdsA14 PRO 23 HA -0.09 0.08 0.35 -0.51 4.44 4.27 2bdsA14 PRO 23 HB2 -0.08 -0.18 0.01 -0.04 2.28 1.99 2bdsA14 PRO 23 HB3 -0.12 0.09 0.11 -0.04 2.02 2.06 2bdsA14 PRO 23 HG2 -0.84 0.02 0.09 -0.04 2.03 1.26 2bdsA14 PRO 23 HG3 -0.49 0.09 0.09 -0.04 2.03 1.68 2bdsA14 PRO 23 HD2 -0.90 0.08 0.21 -0.04 3.68 3.04 2bdsA14 PRO 23 HD3 -0.72 0.22 0.22 -0.04 3.65 3.33 2bdsA14 GLY 24 H -0.01 0.15 0.15 -0.55 8.43 8.17 2bdsA14 GLY 24 HA2 0.02 0.18 0.39 -0.51 4.01 4.09 2bdsA14 GLY 24 HA3 0.02 0.02 0.35 -0.51 4.01 3.89 2bdsA14 GLY 25 H 0.06 -0.09 -0.88 -0.55 8.43 6.98 2bdsA14 GLY 25 HA2 0.06 0.01 0.18 -0.51 4.01 3.75 2bdsA14 GLY 25 HA3 0.16 -0.01 0.28 -0.51 4.01 3.93 2bdsA14 TYR 26 H 0.14 0.26 -0.04 -0.55 8.29 8.10 2bdsA14 TYR 26 HA -0.13 0.19 0.60 -0.75 4.56 4.47 2bdsA14 TYR 26 HB2 -0.30 0.01 0.10 -0.04 3.06 2.83 2bdsA14 TYR 26 HB3 -0.70 0.05 0.15 -0.04 2.98 2.44 2bdsA14 TYR 26 HD2 0.16 -0.08 -0.14 -0.04 7.15 7.04 2bdsA14 TYR 26 HE2 0.17 0.00 -0.02 -0.04 6.85 6.96 2bdsA14 GLY 27 H -0.04 0.07 -0.70 -0.55 8.43 7.21 2bdsA14 GLY 27 HA2 -0.04 0.03 0.24 -0.51 4.01 3.74 2bdsA14 GLY 27 HA3 -0.10 0.13 0.53 -0.51 4.01 4.06 2bdsA14 TYR 28 H -0.17 -0.10 -0.52 -0.55 8.29 6.95 2bdsA14 TYR 28 HA 0.05 0.11 0.45 -0.75 4.56 4.41 2bdsA14 TYR 28 HB2 -0.03 -0.01 -0.13 -0.04 3.06 2.85 2bdsA14 TYR 28 HB3 0.01 0.03 0.01 -0.04 2.98 2.98 2bdsA14 TYR 28 HD2 -0.08 0.02 -0.20 -0.04 7.15 6.85 2bdsA14 TYR 28 HE2 -0.13 -0.02 -0.09 -0.04 6.85 6.56 2bdsA14 THR 29 H 0.20 0.18 0.15 -0.55 8.28 8.27 2bdsA14 THR 29 HA 0.08 0.09 0.43 -0.75 4.39 4.24 2bdsA14 THR 29 HB 0.06 -0.03 -0.01 -0.04 4.32 4.30 2bdsA14 THR 29 HG23 0.06 0.04 -0.10 -0.04 1.22 1.18 2bdsA14 SER 30 H 0.13 0.08 0.10 -0.55 8.46 8.23 2bdsA14 SER 30 HA 0.08 0.16 0.79 -0.75 4.49 4.76 2bdsA14 SER 30 HB2 0.15 0.01 -0.03 -0.04 3.95 4.04 2bdsA14 SER 30 HB3 0.08 0.05 0.04 -0.04 3.93 4.06 2bdsA14 ASN 31 H 0.11 0.29 0.20 -0.55 8.53 8.58 2bdsA14 ASN 31 HA -0.01 -0.07 0.94 -0.75 4.76 4.87 2bdsA14 ASN 31 HB2 -0.46 0.10 -0.12 -0.04 2.88 2.36 2bdsA14 ASN 31 HB3 -0.27 -0.00 0.01 -0.04 2.79 2.49 2bdsA14 ASN 31 HD21 -0.11 -0.03 -0.15 -0.04 7.03 6.71 2bdsA14 ASN 31 HD22 0.14 0.03 -0.10 -0.04 7.74 7.77 2bdsA14 CYS 32 H -0.13 0.48 0.29 -0.55 8.50 8.60 2bdsA14 CYS 32 HA 0.15 0.17 0.98 -0.75 4.58 5.12 2bdsA14 CYS 32 HB2 0.01 0.01 0.04 -0.04 2.97 2.99 2bdsA14 CYS 32 HB3 -0.05 -0.05 0.13 -0.04 2.97 2.95 2bdsA14 TYR 33 H 0.24 0.19 0.19 -0.55 8.29 8.36 2bdsA14 TYR 33 HA 0.06 0.12 0.94 -0.75 4.56 4.93 2bdsA14 TYR 33 HB2 0.02 -0.01 0.10 -0.04 3.06 3.13 2bdsA14 TYR 33 HB3 0.07 -0.00 -0.03 -0.04 2.98 2.97 2bdsA14 TYR 33 HD2 0.02 -0.04 -0.20 -0.04 7.15 6.89 2bdsA14 TYR 33 HE2 -0.03 0.07 -0.31 -0.04 6.85 6.54 2bdsA14 LYS 34 H 0.14 0.41 0.13 -0.55 8.42 8.55 2bdsA14 LYS 34 HA 0.15 0.08 0.66 -0.75 4.32 4.46 2bdsA14 LYS 34 HB2 0.08 0.05 0.07 -0.04 1.87 2.04 2bdsA14 LYS 34 HB3 0.08 0.03 -0.13 -0.04 1.79 1.73 2bdsA14 LYS 34 HG2 0.07 0.07 -0.20 -0.04 1.46 1.35 2bdsA14 LYS 34 HG3 0.05 0.02 -0.11 -0.04 1.46 1.37 2bdsA14 LYS 34 HD2 0.05 -0.11 -0.56 -0.04 1.69 1.03 2bdsA14 LYS 34 HD3 0.01 -0.10 -0.19 -0.04 1.68 1.36 2bdsA14 LYS 34 HE2 0.04 0.04 -0.15 -0.04 2.99 2.88 2bdsA14 LYS 34 HE3 0.05 0.01 -0.14 -0.04 2.99 2.87 2bdsA14 TRP 35 H 0.36 0.07 0.04 -0.55 7.97 7.88 2bdsA14 TRP 35 HA 0.05 0.00 0.39 -0.75 4.62 4.30 2bdsA14 TRP 35 HB2 0.04 -0.00 0.12 -0.04 3.23 3.35 2bdsA14 TRP 35 HB3 0.03 0.06 -0.05 -0.04 3.23 3.23 2bdsA14 TRP 35 HD1 0.07 0.05 -0.10 -0.04 7.22 7.20 2bdsA14 TRP 35 HE1 0.05 -0.05 -0.14 -0.04 10.20 10.01 2bdsA14 TRP 35 HE3 0.02 0.02 -0.04 -0.04 7.59 7.55 2bdsA14 TRP 35 HZ2 0.02 0.01 0.01 -0.04 7.44 7.44 2bdsA14 TRP 35 HZ3 0.01 0.00 0.00 -0.04 7.13 7.11 2bdsA14 TRP 35 HH2 0.01 0.00 0.01 -0.04 7.19 7.18 2bdsA14 PRO 36 HA -1.38 0.02 0.34 -0.51 4.44 2.90 2bdsA14 PRO 36 HB2 -0.44 -0.01 0.23 -0.04 2.28 2.02 2bdsA14 PRO 36 HB3 -0.87 0.02 0.16 -0.04 2.02 1.28 2bdsA14 PRO 36 HG2 -0.16 0.03 0.07 -0.04 2.03 1.92 2bdsA14 PRO 36 HG3 -0.17 0.02 0.07 -0.04 2.03 1.91 2bdsA14 PRO 36 HD2 -0.05 0.12 0.25 -0.04 3.68 3.95 2bdsA14 PRO 36 HD3 0.01 0.11 0.15 -0.04 3.65 3.89 2bdsA14 ASN 37 H 0.00 0.33 -0.06 -0.55 8.53 8.26 2bdsA14 ASN 37 HA -0.04 0.01 -0.21 -0.75 4.76 3.76 2bdsA14 ASN 37 HB2 -0.01 0.06 -0.16 -0.04 2.88 2.73 2bdsA14 ASN 37 HB3 -0.01 0.27 0.17 -0.04 2.79 3.18 2bdsA14 ASN 37 HD21 -0.09 -0.05 -0.07 -0.04 7.03 6.78 2bdsA14 ASN 37 HD22 -0.06 -0.01 -0.00 -0.04 7.74 7.63 2bdsA14 ILE 38 H 0.05 0.89 0.20 -0.55 8.25 8.84 2bdsA14 ILE 38 HA -0.03 -0.09 0.67 -0.75 4.18 3.98 2bdsA14 ILE 38 HB -0.13 -0.02 -0.12 -0.04 1.89 1.58 2bdsA14 ILE 38 HG12 -0.22 -0.16 -0.39 -0.04 1.49 0.68 2bdsA14 ILE 38 HG13 -0.46 0.34 -0.12 -0.04 1.21 0.93 2bdsA14 ILE 38 HG23 0.08 -0.02 -0.21 -0.04 0.93 0.73 2bdsA14 ILE 38 HD13 -1.07 -0.00 -0.25 -0.04 0.88 -0.48 2bdsA14 CYS 39 H -0.08 0.31 0.11 -0.55 8.50 8.29 2bdsA14 CYS 39 HA 0.09 0.24 1.23 -0.75 4.58 5.39 2bdsA14 CYS 39 HB2 0.03 -0.05 0.03 -0.04 2.97 2.94 2bdsA14 CYS 39 HB3 0.09 0.10 -0.23 -0.04 2.97 2.89 2bdsA14 CYS 40 H 0.18 0.50 0.26 -0.55 8.50 8.90 2bdsA14 CYS 40 HA -0.29 -0.08 0.58 -0.75 4.58 4.04 2bdsA14 CYS 40 HB2 -0.59 -0.03 0.09 -0.04 2.97 2.40 2bdsA14 CYS 40 HB3 -0.99 -0.02 0.10 -0.04 2.97 2.02 2bdsA14 TYR 41 H 0.02 0.07 0.52 -0.55 8.29 8.34 2bdsA14 TYR 41 HA 0.14 0.14 0.52 -0.75 4.56 4.60 2bdsA14 TYR 41 HB2 0.02 -0.16 0.03 -0.04 3.06 2.90 2bdsA14 TYR 41 HB3 0.06 -0.07 0.09 -0.04 2.98 3.01 2bdsA14 TYR 41 HD2 0.06 -0.13 -0.12 -0.04 7.15 6.92 2bdsA14 TYR 41 HE2 0.13 -0.07 -0.14 -0.04 6.85 6.73 2bdsA14 PRO 42 HA 0.25 0.06 0.37 -0.51 4.44 4.61 2bdsA14 PRO 42 HB2 -0.01 0.03 -0.01 -0.04 2.28 2.25 2bdsA14 PRO 42 HB3 0.04 0.03 0.07 -0.04 2.02 2.13 2bdsA14 PRO 42 HG2 0.08 0.09 0.10 -0.04 2.03 2.25 2bdsA14 PRO 42 HG3 0.10 -0.01 0.13 -0.04 2.03 2.20 2bdsA14 PRO 42 HD2 0.28 0.12 0.07 -0.04 3.68 4.11 2bdsA14 PRO 42 HD3 0.21 -0.27 0.56 -0.04 3.65 4.11 2bdsA14 HIS 43 H 0.07 0.10 -0.05 -0.55 8.41 7.99 2bdsA14 HIS 43 HA -0.06 0.06 0.15 -0.75 4.63 4.02 2bdsA14 HIS 43 HB2 -0.21 -0.02 -0.09 -0.04 3.26 2.91 2bdsA14 HIS 43 HB3 -0.68 -0.03 -0.41 -0.04 3.20 2.04 2bdsA14 HIS 43 HD2 -0.08 -0.06 -0.01 -0.04 6.97 6.77 2bdsA14 HIS 43 HE1 0.19 0.12 0.15 -0.04 7.75 8.17