============================================================================= 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 11.082 4.752 -3.725 -99.200 -91.000 TRP 16 1.040 -3.507 -0.852 -3.190 -99.200 -91.000 TRP6 16 1.020 -5.591 -1.533 -3.915 -99.200 -91.000 TYR 26 0.840 -9.755 -8.604 -2.548 -99.200 -91.000 TYR 28 0.840 -1.890 -5.398 -1.000 -99.200 -91.000 TYR 33 0.840 -3.387 1.534 5.486 -99.200 -91.000 TRP 35 1.040 -6.618 9.398 4.321 -99.200 -91.000 TRP6 35 1.020 -8.072 11.195 4.501 -99.200 -91.000 TYR 41 0.840 6.022 -2.942 1.208 -99.200 -91.000 HIS 43 0.900 8.884 -4.758 -2.105 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2bdsA15 ALA 1 HA -0.11 -0.04 0.18 -0.75 4.34 3.62 2bdsA15 ALA 1 HB3 -0.07 -0.07 0.15 -0.04 1.41 1.38 2bdsA15 ALA 2 H -0.08 -0.18 0.30 -0.55 8.40 7.89 2bdsA15 ALA 2 HA -0.05 0.08 0.42 -0.75 4.34 4.03 2bdsA15 ALA 2 HB3 -0.06 -0.03 0.24 -0.04 1.41 1.52 2bdsA15 PRO 3 HA 0.01 0.17 0.77 -0.51 4.44 4.88 2bdsA15 PRO 3 HB2 0.11 -0.01 0.25 -0.04 2.28 2.59 2bdsA15 PRO 3 HB3 0.04 0.03 0.15 -0.04 2.02 2.20 2bdsA15 PRO 3 HG2 0.00 -0.02 0.08 -0.04 2.03 2.05 2bdsA15 PRO 3 HG3 0.00 0.04 0.09 -0.04 2.03 2.13 2bdsA15 PRO 3 HD2 -0.04 0.02 0.19 -0.04 3.68 3.81 2bdsA15 PRO 3 HD3 -0.03 0.26 0.20 -0.04 3.65 4.04 2bdsA15 CYS 4 H -0.03 0.41 -0.78 -0.55 8.50 7.55 2bdsA15 CYS 4 HA -0.42 0.02 0.43 -0.75 4.58 3.85 2bdsA15 CYS 4 HB2 -0.13 -0.05 0.02 -0.04 2.97 2.76 2bdsA15 CYS 4 HB3 -0.05 0.05 0.04 -0.04 2.97 2.98 2bdsA15 PHE 5 H -1.01 0.05 0.13 -0.55 8.34 6.96 2bdsA15 PHE 5 HA 0.07 0.10 0.10 -0.75 4.62 4.13 2bdsA15 PHE 5 HB2 0.02 -0.03 -0.09 -0.04 3.15 3.01 2bdsA15 PHE 5 HB3 0.03 -0.01 0.00 -0.04 3.06 3.05 2bdsA15 PHE 5 HD2 0.01 0.05 -0.11 -0.04 7.28 7.19 2bdsA15 PHE 5 HE2 -0.00 0.03 0.09 -0.04 7.38 7.45 2bdsA15 PHE 5 HZ 0.00 -0.04 0.05 -0.04 7.32 7.29 2bdsA15 CYS 6 H 0.19 0.47 0.09 -0.55 8.50 8.70 2bdsA15 CYS 6 HA 0.04 0.14 0.66 -0.75 4.58 4.66 2bdsA15 CYS 6 HB2 -0.07 0.07 -0.19 -0.04 2.97 2.73 2bdsA15 CYS 6 HB3 -0.28 0.01 -0.08 -0.04 2.97 2.59 2bdsA15 SER 7 H -0.05 0.15 0.10 -0.55 8.46 8.12 2bdsA15 SER 7 HA -0.00 0.05 0.38 -0.75 4.49 4.16 2bdsA15 SER 7 HB2 -0.00 0.02 0.06 -0.04 3.95 3.98 2bdsA15 SER 7 HB3 -0.01 0.01 0.15 -0.04 3.93 4.03 2bdsA15 GLY 8 H -0.01 0.16 0.14 -0.55 8.43 8.17 2bdsA15 GLY 8 HA2 -0.01 -0.02 0.36 -0.51 4.01 3.83 2bdsA15 GLY 8 HA3 -0.04 0.13 0.56 -0.51 4.01 4.16 2bdsA15 LYS 9 H -0.06 0.18 -1.00 -0.55 8.42 6.98 2bdsA15 LYS 9 HA 0.06 0.19 0.91 -0.75 4.32 4.73 2bdsA15 LYS 9 HB2 -0.32 -0.09 -0.05 -0.04 1.87 1.38 2bdsA15 LYS 9 HB3 0.30 0.11 -0.00 -0.04 1.79 2.16 2bdsA15 LYS 9 HG2 0.06 -0.02 -0.06 -0.04 1.46 1.40 2bdsA15 LYS 9 HG3 -0.05 0.08 -0.54 -0.04 1.46 0.91 2bdsA15 LYS 9 HD2 -0.36 0.20 -0.21 -0.04 1.69 1.29 2bdsA15 LYS 9 HD3 -1.32 -0.04 -0.11 -0.04 1.68 0.18 2bdsA15 LYS 9 HE2 -0.05 -0.01 -0.08 -0.04 2.99 2.81 2bdsA15 LYS 9 HE3 -0.12 0.03 -0.06 -0.04 2.99 2.80 2bdsA15 PRO 10 HA 0.01 0.10 0.57 -0.51 4.44 4.61 2bdsA15 PRO 10 HB2 -0.01 0.03 0.03 -0.04 2.28 2.29 2bdsA15 PRO 10 HB3 -0.04 0.01 0.10 -0.04 2.02 2.05 2bdsA15 PRO 10 HG2 0.03 0.03 0.02 -0.04 2.03 2.08 2bdsA15 PRO 10 HG3 0.01 0.02 0.02 -0.04 2.03 2.04 2bdsA15 PRO 10 HD2 0.09 0.12 0.19 -0.04 3.68 4.03 2bdsA15 PRO 10 HD3 0.04 0.19 -0.05 -0.04 3.65 3.79 2bdsA15 GLY 11 H -0.14 0.10 0.08 -0.55 8.43 7.93 2bdsA15 GLY 11 HA2 -0.04 -0.02 0.35 -0.51 4.01 3.78 2bdsA15 GLY 11 HA3 0.06 0.14 0.66 -0.51 4.01 4.36 2bdsA15 ARG 12 H -0.40 0.31 0.10 -0.55 8.46 7.92 2bdsA15 ARG 12 HA 0.18 0.15 0.28 -0.75 4.34 4.19 2bdsA15 ARG 12 HB2 -0.07 0.09 -0.02 -0.04 1.90 1.86 2bdsA15 ARG 12 HB3 -0.06 0.04 -0.37 -0.04 1.80 1.36 2bdsA15 ARG 12 HG2 -0.41 -0.07 -0.11 -0.04 1.67 1.03 2bdsA15 ARG 12 HG3 -1.27 -0.01 -0.02 -0.04 1.67 0.34 2bdsA15 ARG 12 HD2 -0.07 0.01 -0.11 -0.04 3.22 3.01 2bdsA15 ARG 12 HD3 -0.06 -0.09 -0.09 -0.04 3.22 2.94 2bdsA15 GLY 13 H 0.07 0.18 -0.04 -0.55 8.43 8.09 2bdsA15 GLY 13 HA2 0.00 0.07 0.64 -0.51 4.01 4.22 2bdsA15 GLY 13 HA3 0.28 0.03 0.14 -0.51 4.01 3.95 2bdsA15 ASP 14 H 0.09 0.45 0.14 -0.55 8.40 8.53 2bdsA15 ASP 14 HA 0.04 0.08 0.61 -0.75 4.63 4.62 2bdsA15 ASP 14 HB2 0.37 -0.03 0.19 -0.04 2.71 3.20 2bdsA15 ASP 14 HB3 0.28 0.00 -0.00 -0.04 2.70 2.93 2bdsA15 LEU 15 H -0.05 -0.16 0.39 -0.55 8.37 8.01 2bdsA15 LEU 15 HA 0.06 0.18 0.91 -0.75 4.35 4.74 2bdsA15 LEU 15 HB2 -0.04 0.00 0.13 -0.04 1.64 1.69 2bdsA15 LEU 15 HB3 -0.10 -0.09 0.22 -0.04 1.64 1.64 2bdsA15 LEU 15 HG -0.06 0.04 -0.27 -0.04 1.64 1.31 2bdsA15 LEU 15 HD13 0.00 0.02 0.02 -0.04 0.93 0.93 2bdsA15 LEU 15 HD23 -0.06 -0.02 -0.03 -0.04 0.89 0.74 2bdsA15 TRP 16 H 0.16 0.83 0.58 -0.55 7.97 8.99 2bdsA15 TRP 16 HA -0.03 0.12 0.87 -0.75 4.62 4.83 2bdsA15 TRP 16 HB2 -0.12 0.18 0.11 -0.04 3.23 3.35 2bdsA15 TRP 16 HB3 -0.06 -0.04 0.06 -0.04 3.23 3.15 2bdsA15 TRP 16 HD1 -0.10 0.15 -0.25 -0.04 7.22 6.99 2bdsA15 TRP 16 HE1 0.31 0.01 -0.08 -0.04 10.20 10.40 2bdsA15 TRP 16 HE3 -0.00 -0.09 0.08 -0.04 7.59 7.53 2bdsA15 TRP 16 HZ2 0.20 0.01 -0.01 -0.04 7.44 7.60 2bdsA15 TRP 16 HZ3 0.02 -0.03 0.03 -0.04 7.13 7.11 2bdsA15 TRP 16 HH2 0.08 -0.02 0.02 -0.04 7.19 7.24 2bdsA15 ILE 17 H 0.33 0.08 0.11 -0.55 8.25 8.22 2bdsA15 ILE 17 HA 0.01 0.18 0.63 -0.75 4.18 4.25 2bdsA15 ILE 17 HB 0.04 0.04 0.04 -0.04 1.89 1.97 2bdsA15 ILE 17 HG12 -0.01 0.02 -0.01 -0.04 1.49 1.45 2bdsA15 ILE 17 HG13 0.16 -0.01 0.09 -0.04 1.21 1.40 2bdsA15 ILE 17 HG23 -0.04 0.03 0.09 -0.04 0.93 0.97 2bdsA15 ILE 17 HD13 0.01 0.01 0.01 -0.04 0.88 0.87 2bdsA15 LEU 18 H -0.07 0.12 0.16 -0.55 8.37 8.03 2bdsA15 LEU 18 HA -0.20 -0.00 -0.05 -0.75 4.35 3.34 2bdsA15 LEU 18 HB2 -0.27 -0.08 0.23 -0.04 1.64 1.48 2bdsA15 LEU 18 HB3 -0.70 -0.04 0.18 -0.04 1.64 1.03 2bdsA15 LEU 18 HG -0.18 0.08 0.27 -0.04 1.64 1.76 2bdsA15 LEU 18 HD13 -0.06 -0.02 0.05 -0.04 0.93 0.86 2bdsA15 LEU 18 HD23 -0.25 -0.02 0.10 -0.04 0.89 0.69 2bdsA15 ARG 19 H 0.11 0.78 0.31 -0.55 8.46 9.11 2bdsA15 ARG 19 HA 0.12 0.07 0.76 -0.75 4.34 4.54 2bdsA15 ARG 19 HB2 0.09 0.03 -0.11 -0.04 1.90 1.87 2bdsA15 ARG 19 HB3 0.06 0.14 -0.10 -0.04 1.80 1.86 2bdsA15 ARG 19 HG2 0.12 0.01 -0.54 -0.04 1.67 1.21 2bdsA15 ARG 19 HG3 0.22 -0.05 -0.29 -0.04 1.67 1.51 2bdsA15 ARG 19 HD2 0.30 -0.05 -0.06 -0.04 3.22 3.37 2bdsA15 ARG 19 HD3 0.19 0.01 -0.04 -0.04 3.22 3.34 2bdsA15 GLY 20 H 0.16 0.15 0.08 -0.55 8.43 8.27 2bdsA15 GLY 20 HA2 0.17 0.03 0.34 -0.51 4.01 4.04 2bdsA15 GLY 20 HA3 0.09 -0.01 0.30 -0.51 4.01 3.87 2bdsA15 THR 21 H 0.08 0.06 -0.18 -0.55 8.28 7.69 2bdsA15 THR 21 HA 0.26 0.18 0.68 -0.75 4.39 4.77 2bdsA15 THR 21 HB -0.01 0.15 -0.07 -0.04 4.32 4.34 2bdsA15 THR 21 HG23 -0.04 0.00 -0.07 -0.04 1.22 1.06 2bdsA15 CYS 22 H 0.05 0.12 0.02 -0.55 8.50 8.13 2bdsA15 CYS 22 HA -0.49 0.12 0.51 -0.75 4.58 3.96 2bdsA15 CYS 22 HB2 -0.28 -0.03 0.02 -0.04 2.97 2.64 2bdsA15 CYS 22 HB3 -0.22 0.08 -0.14 -0.04 2.97 2.64 2bdsA15 PRO 23 HA -0.39 -0.00 0.33 -0.51 4.44 3.86 2bdsA15 PRO 23 HB2 -1.02 -0.03 0.08 -0.04 2.28 1.26 2bdsA15 PRO 23 HB3 -0.95 0.03 0.07 -0.04 2.02 1.13 2bdsA15 PRO 23 HG2 -0.25 0.04 0.08 -0.04 2.03 1.86 2bdsA15 PRO 23 HG3 -0.28 0.05 0.08 -0.04 2.03 1.84 2bdsA15 PRO 23 HD2 -0.91 0.09 0.16 -0.04 3.68 2.99 2bdsA15 PRO 23 HD3 -0.89 0.16 0.18 -0.04 3.65 3.05 2bdsA15 GLY 24 H -0.20 0.08 0.17 -0.55 8.43 7.94 2bdsA15 GLY 24 HA2 -0.05 0.17 0.50 -0.51 4.01 4.12 2bdsA15 GLY 24 HA3 -0.07 -0.09 0.29 -0.51 4.01 3.63 2bdsA15 GLY 25 H 0.10 0.09 0.02 -0.55 8.43 8.09 2bdsA15 GLY 25 HA2 0.07 0.23 0.62 -0.51 4.01 4.42 2bdsA15 GLY 25 HA3 0.08 -0.01 0.37 -0.51 4.01 3.94 2bdsA15 TYR 26 H 0.20 0.50 -0.74 -0.55 8.29 7.70 2bdsA15 TYR 26 HA -0.02 0.08 0.55 -0.75 4.56 4.41 2bdsA15 TYR 26 HB2 -0.05 0.25 0.11 -0.04 3.06 3.33 2bdsA15 TYR 26 HB3 -0.08 0.00 -0.04 -0.04 2.98 2.82 2bdsA15 TYR 26 HD2 0.03 -0.05 -0.27 -0.04 7.15 6.82 2bdsA15 TYR 26 HE2 0.05 -0.01 -0.07 -0.04 6.85 6.77 2bdsA15 GLY 27 H 0.03 -0.01 0.15 -0.55 8.43 8.05 2bdsA15 GLY 27 HA2 -0.04 0.12 0.52 -0.51 4.01 4.11 2bdsA15 GLY 27 HA3 -0.17 0.00 0.25 -0.51 4.01 3.58 2bdsA15 TYR 28 H -0.09 -0.12 0.18 -0.55 8.29 7.71 2bdsA15 TYR 28 HA 0.03 0.17 0.66 -0.75 4.56 4.67 2bdsA15 TYR 28 HB2 -0.06 0.01 -0.03 -0.04 3.06 2.94 2bdsA15 TYR 28 HB3 -0.01 0.07 0.08 -0.04 2.98 3.09 2bdsA15 TYR 28 HD2 -0.11 0.07 -0.30 -0.04 7.15 6.77 2bdsA15 TYR 28 HE2 -0.08 0.04 -0.14 -0.04 6.85 6.63 2bdsA15 THR 29 H 0.20 0.26 0.24 -0.55 8.28 8.43 2bdsA15 THR 29 HA 0.08 0.10 0.51 -0.75 4.39 4.33 2bdsA15 THR 29 HB 0.06 -0.03 -0.04 -0.04 4.32 4.27 2bdsA15 THR 29 HG23 0.05 0.03 -0.06 -0.04 1.22 1.21 2bdsA15 SER 30 H 0.13 0.12 0.14 -0.55 8.46 8.30 2bdsA15 SER 30 HA 0.07 0.16 0.83 -0.75 4.49 4.80 2bdsA15 SER 30 HB2 0.12 0.00 -0.02 -0.04 3.95 4.01 2bdsA15 SER 30 HB3 0.07 0.03 0.04 -0.04 3.93 4.03 2bdsA15 ASN 31 H 0.09 0.28 0.18 -0.55 8.53 8.53 2bdsA15 ASN 31 HA -0.00 -0.00 1.05 -0.75 4.76 5.05 2bdsA15 ASN 31 HB2 -0.34 0.08 -0.15 -0.04 2.88 2.43 2bdsA15 ASN 31 HB3 -0.32 -0.07 0.08 -0.04 2.79 2.44 2bdsA15 ASN 31 HD21 0.05 0.12 -0.31 -0.04 7.03 6.84 2bdsA15 ASN 31 HD22 -0.09 0.05 -0.29 -0.04 7.74 7.37 2bdsA15 CYS 32 H -0.07 0.38 0.27 -0.55 8.50 8.53 2bdsA15 CYS 32 HA 0.13 0.13 0.95 -0.75 4.58 5.03 2bdsA15 CYS 32 HB2 -0.00 0.01 -0.05 -0.04 2.97 2.88 2bdsA15 CYS 32 HB3 -0.02 -0.01 0.10 -0.04 2.97 3.01 2bdsA15 TYR 33 H 0.24 0.16 0.23 -0.55 8.29 8.37 2bdsA15 TYR 33 HA 0.05 0.12 0.81 -0.75 4.56 4.79 2bdsA15 TYR 33 HB2 0.02 -0.03 0.11 -0.04 3.06 3.11 2bdsA15 TYR 33 HB3 0.08 0.01 0.02 -0.04 2.98 3.06 2bdsA15 TYR 33 HD2 0.03 0.01 -0.09 -0.04 7.15 7.06 2bdsA15 TYR 33 HE2 -0.04 0.05 -0.27 -0.04 6.85 6.55 2bdsA15 LYS 34 H 0.18 0.45 0.13 -0.55 8.42 8.62 2bdsA15 LYS 34 HA 0.15 0.04 0.57 -0.75 4.32 4.33 2bdsA15 LYS 34 HB2 0.07 0.05 0.07 -0.04 1.87 2.02 2bdsA15 LYS 34 HB3 0.07 0.08 -0.07 -0.04 1.79 1.82 2bdsA15 LYS 34 HG2 0.06 0.02 -0.19 -0.04 1.46 1.32 2bdsA15 LYS 34 HG3 0.03 0.02 -0.09 -0.04 1.46 1.38 2bdsA15 LYS 34 HD2 0.04 -0.00 -0.52 -0.04 1.69 1.16 2bdsA15 LYS 34 HD3 0.01 -0.15 -0.09 -0.04 1.68 1.40 2bdsA15 LYS 34 HE2 0.00 0.01 -0.09 -0.04 2.99 2.87 2bdsA15 LYS 34 HE3 0.03 0.01 -0.10 -0.04 2.99 2.88 2bdsA15 TRP 35 H 0.36 0.07 0.07 -0.55 7.97 7.93 2bdsA15 TRP 35 HA 0.05 0.05 0.39 -0.75 4.62 4.35 2bdsA15 TRP 35 HB2 0.03 -0.01 0.13 -0.04 3.23 3.34 2bdsA15 TRP 35 HB3 0.02 0.05 -0.05 -0.04 3.23 3.21 2bdsA15 TRP 35 HD1 0.08 0.09 -0.09 -0.04 7.22 7.26 2bdsA15 TRP 35 HE1 0.04 0.01 -0.22 -0.04 10.20 9.99 2bdsA15 TRP 35 HE3 0.01 0.01 -0.03 -0.04 7.59 7.55 2bdsA15 TRP 35 HZ2 0.02 0.00 -0.02 -0.04 7.44 7.39 2bdsA15 TRP 35 HZ3 0.01 -0.00 -0.00 -0.04 7.13 7.09 2bdsA15 TRP 35 HH2 0.01 -0.01 0.00 -0.04 7.19 7.15 2bdsA15 PRO 36 HA -1.18 0.03 0.33 -0.51 4.44 3.11 2bdsA15 PRO 36 HB2 -0.41 -0.01 0.22 -0.04 2.28 2.05 2bdsA15 PRO 36 HB3 -0.73 0.02 0.15 -0.04 2.02 1.41 2bdsA15 PRO 36 HG2 -0.14 0.02 0.07 -0.04 2.03 1.94 2bdsA15 PRO 36 HG3 -0.13 0.02 0.07 -0.04 2.03 1.95 2bdsA15 PRO 36 HD2 -0.04 0.12 0.27 -0.04 3.68 3.99 2bdsA15 PRO 36 HD3 0.03 0.10 0.11 -0.04 3.65 3.85 2bdsA15 ASN 37 H 0.01 0.33 -0.02 -0.55 8.53 8.30 2bdsA15 ASN 37 HA -0.04 0.03 -0.11 -0.75 4.76 3.89 2bdsA15 ASN 37 HB2 -0.01 0.07 -0.09 -0.04 2.88 2.81 2bdsA15 ASN 37 HB3 -0.00 0.25 0.24 -0.04 2.79 3.24 2bdsA15 ASN 37 HD21 -0.09 -0.05 -0.06 -0.04 7.03 6.80 2bdsA15 ASN 37 HD22 -0.05 -0.04 0.06 -0.04 7.74 7.67 2bdsA15 ILE 38 H 0.05 0.56 0.17 -0.55 8.25 8.48 2bdsA15 ILE 38 HA -0.02 -0.10 0.65 -0.75 4.18 3.96 2bdsA15 ILE 38 HB -0.18 0.04 -0.07 -0.04 1.89 1.64 2bdsA15 ILE 38 HG12 -0.25 -0.13 -0.50 -0.04 1.49 0.56 2bdsA15 ILE 38 HG13 -0.48 0.39 -0.32 -0.04 1.21 0.76 2bdsA15 ILE 38 HG23 0.06 -0.01 -0.22 -0.04 0.93 0.71 2bdsA15 ILE 38 HD13 -1.30 -0.00 -0.29 -0.04 0.88 -0.75 2bdsA15 CYS 39 H -0.05 0.28 0.14 -0.55 8.50 8.32 2bdsA15 CYS 39 HA 0.11 0.36 1.21 -0.75 4.58 5.50 2bdsA15 CYS 39 HB2 0.08 -0.02 -0.04 -0.04 2.97 2.95 2bdsA15 CYS 39 HB3 0.10 0.02 -0.39 -0.04 2.97 2.65 2bdsA15 CYS 40 H 0.16 0.64 0.24 -0.55 8.50 8.99 2bdsA15 CYS 40 HA -0.31 -0.06 0.51 -0.75 4.58 3.96 2bdsA15 CYS 40 HB2 -0.54 0.01 0.04 -0.04 2.97 2.44 2bdsA15 CYS 40 HB3 -0.93 0.01 0.02 -0.04 2.97 2.03 2bdsA15 TYR 41 H -0.09 0.12 0.45 -0.55 8.29 8.22 2bdsA15 TYR 41 HA 0.12 0.12 0.66 -0.75 4.56 4.72 2bdsA15 TYR 41 HB2 -0.00 -0.15 0.09 -0.04 3.06 2.96 2bdsA15 TYR 41 HB3 0.05 -0.04 0.10 -0.04 2.98 3.06 2bdsA15 TYR 41 HD2 0.05 -0.02 -0.21 -0.04 7.15 6.93 2bdsA15 TYR 41 HE2 0.14 0.01 -0.07 -0.04 6.85 6.89 2bdsA15 PRO 42 HA 0.20 0.04 0.43 -0.51 4.44 4.60 2bdsA15 PRO 42 HB2 0.02 0.09 -0.05 -0.04 2.28 2.29 2bdsA15 PRO 42 HB3 0.13 0.02 0.13 -0.04 2.02 2.25 2bdsA15 PRO 42 HG2 0.07 0.08 0.10 -0.04 2.03 2.24 2bdsA15 PRO 42 HG3 0.10 -0.01 0.13 -0.04 2.03 2.20 2bdsA15 PRO 42 HD2 0.23 0.17 0.22 -0.04 3.68 4.26 2bdsA15 PRO 42 HD3 0.19 -0.22 0.61 -0.04 3.65 4.19 2bdsA15 HIS 43 H -0.44 0.17 0.10 -0.55 8.41 7.70 2bdsA15 HIS 43 HA -0.15 0.24 0.66 -0.75 4.63 4.63 2bdsA15 HIS 43 HB2 -0.30 0.02 -0.02 -0.04 3.26 2.92 2bdsA15 HIS 43 HB3 -1.36 0.01 0.11 -0.04 3.20 1.91 2bdsA15 HIS 43 HD2 -0.04 -0.01 0.02 -0.04 6.97 6.89 2bdsA15 HIS 43 HE1 0.16 0.26 0.16 -0.04 7.75 8.28