============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 7 rings ring int. center anis. iso. PHE 7 1.000 -1.785 14.242 1.603 -99.200 -91.000 HIS 9 0.900 -7.020 7.137 -5.362 -99.200 -91.000 HIS 14 0.900 -8.635 0.137 0.211 -99.200 -91.000 TRP 23 1.040 1.038 1.865 3.908 -99.200 -91.000 TRP6 23 1.020 1.739 3.547 2.412 -99.200 -91.000 HIS 32 0.900 16.829 -3.067 -1.599 -99.200 -91.000 PHE 34 1.000 12.902 -8.958 -8.251 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1zwcA9 ALA 1 HA -0.01 -0.08 0.22 -0.75 4.34 3.72 1zwcA9 ALA 1 HB3 0.00 -0.01 0.02 -0.04 1.41 1.38 1zwcA9 VAL 2 H -0.01 0.10 0.11 -0.55 8.24 7.89 1zwcA9 VAL 2 HA 0.06 0.21 0.54 -0.75 4.13 4.18 1zwcA9 VAL 2 HB -0.03 0.10 0.10 -0.04 2.12 2.24 1zwcA9 VAL 2 HG13 -0.04 -0.02 0.06 -0.04 0.97 0.92 1zwcA9 VAL 2 HG23 0.18 -0.03 0.02 -0.04 0.95 1.08 1zwcA9 SER 3 H 0.01 0.09 -0.11 -0.55 8.46 7.91 1zwcA9 SER 3 HA 0.01 0.08 0.30 -0.75 4.49 4.13 1zwcA9 SER 3 HB2 0.03 0.12 -0.29 -0.04 3.95 3.77 1zwcA9 SER 3 HB3 0.03 -0.11 0.28 -0.04 3.93 4.09 1zwcA9 GLU 4 H 0.04 0.04 -0.60 -0.55 8.60 7.53 1zwcA9 GLU 4 HA 0.05 -0.00 0.28 -0.75 4.29 3.86 1zwcA9 GLU 4 HB2 0.01 0.23 0.28 -0.04 2.09 2.58 1zwcA9 GLU 4 HB3 0.02 0.02 0.03 -0.04 1.99 2.02 1zwcA9 GLU 4 HG2 0.00 -0.18 -0.47 -0.04 2.34 1.65 1zwcA9 GLU 4 HG3 -0.00 0.06 -0.10 -0.04 2.34 2.26 1zwcA9 ILE 5 H 0.03 0.47 -0.47 -0.55 8.25 7.72 1zwcA9 ILE 5 HA 0.02 0.13 0.48 -0.75 4.18 4.05 1zwcA9 ILE 5 HB 0.00 -0.02 0.04 -0.04 1.89 1.87 1zwcA9 ILE 5 HG12 0.00 0.10 0.12 -0.04 1.49 1.67 1zwcA9 ILE 5 HG13 -0.01 -0.01 0.05 -0.04 1.21 1.20 1zwcA9 ILE 5 HG23 -0.05 0.00 -0.00 -0.04 0.93 0.84 1zwcA9 ILE 5 HD13 -0.01 -0.00 -0.03 -0.04 0.88 0.79 1zwcA9 GLN 6 H 0.06 0.02 -0.21 -0.55 8.47 7.79 1zwcA9 GLN 6 HA 0.06 0.04 0.40 -0.75 4.36 4.11 1zwcA9 GLN 6 HB2 0.06 0.05 0.20 -0.04 2.15 2.43 1zwcA9 GLN 6 HB3 0.13 -0.05 0.18 -0.04 2.02 2.25 1zwcA9 GLN 6 HG2 0.09 -0.03 0.00 -0.04 2.40 2.43 1zwcA9 GLN 6 HG3 0.06 -0.04 0.05 -0.04 2.39 2.41 1zwcA9 GLN 6 HE21 0.04 -0.01 0.02 -0.04 6.97 6.98 1zwcA9 GLN 6 HE22 0.03 -0.00 0.01 -0.04 7.69 7.69 1zwcA9 PHE 7 H 0.23 -0.04 -0.28 -0.55 8.34 7.70 1zwcA9 PHE 7 HA 0.02 0.00 0.40 -0.75 4.62 4.29 1zwcA9 PHE 7 HB2 0.01 -0.10 0.07 -0.04 3.15 3.09 1zwcA9 PHE 7 HB3 0.00 0.10 -0.02 -0.04 3.06 3.11 1zwcA9 PHE 7 HD2 0.01 0.01 0.01 -0.04 7.28 7.28 1zwcA9 PHE 7 HE2 0.02 0.03 -0.01 -0.04 7.38 7.39 1zwcA9 PHE 7 HZ 0.03 0.03 -0.02 -0.04 7.32 7.32 1zwcA9 MET 8 H -0.11 0.08 0.09 -0.55 8.47 7.98 1zwcA9 MET 8 HA -0.03 0.07 0.39 -0.75 4.52 4.20 1zwcA9 MET 8 HB2 0.05 0.40 0.27 -0.04 2.15 2.83 1zwcA9 MET 8 HB3 -0.01 -0.00 0.07 -0.04 2.03 2.04 1zwcA9 MET 8 HG2 0.12 -0.11 -0.04 -0.04 2.63 2.56 1zwcA9 MET 8 HG3 0.08 0.07 -0.15 -0.04 2.56 2.52 1zwcA9 MET 8 HE3 -0.04 -0.01 0.03 -0.04 2.10 2.04 1zwcA9 HIS 9 H 0.07 0.77 -0.61 -0.55 8.41 8.10 1zwcA9 HIS 9 HA -0.08 0.12 0.59 -0.75 4.63 4.50 1zwcA9 HIS 9 HB2 -0.03 0.11 0.15 -0.04 3.26 3.45 1zwcA9 HIS 9 HB3 -0.04 0.09 0.11 -0.04 3.20 3.32 1zwcA9 HIS 9 HD2 -0.02 -0.01 -0.06 -0.04 6.97 6.84 1zwcA9 HIS 9 HE1 -0.01 -0.03 -0.01 -0.04 7.75 7.66 1zwcA9 ASN 10 H -0.08 0.38 -0.03 -0.55 8.53 8.25 1zwcA9 ASN 10 HA -0.16 0.12 0.49 -0.75 4.76 4.46 1zwcA9 ASN 10 HB2 -0.14 -0.03 0.03 -0.04 2.88 2.70 1zwcA9 ASN 10 HB3 -0.08 0.06 0.06 -0.04 2.79 2.79 1zwcA9 ASN 10 HD21 -0.04 0.02 -0.16 -0.04 7.03 6.80 1zwcA9 ASN 10 HD22 -0.11 -0.14 -0.30 -0.04 7.74 7.15 1zwcA9 LEU 11 H -0.29 -0.01 -0.49 -0.55 8.37 7.04 1zwcA9 LEU 11 HA -0.11 0.20 0.78 -0.75 4.35 4.46 1zwcA9 LEU 11 HB2 -0.60 -0.04 -0.02 -0.04 1.64 0.94 1zwcA9 LEU 11 HB3 -0.21 -0.06 0.16 -0.04 1.64 1.50 1zwcA9 LEU 11 HG 0.08 0.06 -0.01 -0.04 1.64 1.73 1zwcA9 LEU 11 HD13 0.10 -0.00 -0.02 -0.04 0.93 0.96 1zwcA9 LEU 11 HD23 0.17 0.01 -0.16 -0.04 0.89 0.87 1zwcA9 GLY 12 H -0.13 0.25 -0.12 -0.55 8.43 7.89 1zwcA9 GLY 12 HA2 -1.02 -0.02 0.27 -0.51 4.01 2.73 1zwcA9 GLY 12 HA3 -1.07 0.11 0.48 -0.51 4.01 3.02 1zwcA9 LYS 13 H -0.27 0.33 -0.82 -0.55 8.42 7.11 1zwcA9 LYS 13 HA -0.23 0.05 0.49 -0.75 4.32 3.87 1zwcA9 LYS 13 HB2 -0.20 -0.05 -0.37 -0.04 1.87 1.21 1zwcA9 LYS 13 HB3 -0.11 -0.06 0.22 -0.04 1.79 1.80 1zwcA9 LYS 13 HG2 -0.20 -0.08 -0.00 -0.04 1.46 1.13 1zwcA9 LYS 13 HG3 -0.87 0.06 0.13 -0.04 1.46 0.74 1zwcA9 LYS 13 HD2 -0.28 0.04 -0.04 -0.04 1.69 1.37 1zwcA9 LYS 13 HD3 -0.17 -0.06 -0.02 -0.04 1.68 1.39 1zwcA9 LYS 13 HE2 -0.41 -0.05 -0.01 -0.04 2.99 2.48 1zwcA9 LYS 13 HE3 -0.64 0.04 -0.04 -0.04 2.99 2.32 1zwcA9 HIS 14 H -0.13 0.53 -0.08 -0.55 8.41 8.18 1zwcA9 HIS 14 HA -0.08 0.16 0.83 -0.75 4.63 4.78 1zwcA9 HIS 14 HB2 -0.06 0.02 -0.05 -0.04 3.26 3.14 1zwcA9 HIS 14 HB3 -0.09 -0.02 0.15 -0.04 3.20 3.20 1zwcA9 HIS 14 HD2 -0.05 -0.10 -0.17 -0.04 6.97 6.61 1zwcA9 HIS 14 HE1 -0.01 0.00 -0.03 -0.04 7.75 7.67 1zwcA9 LEU 15 H -0.31 0.32 -0.04 -0.55 8.37 7.79 1zwcA9 LEU 15 HA -0.22 0.02 0.69 -0.75 4.35 4.09 1zwcA9 LEU 15 HB2 -0.23 0.06 0.01 -0.04 1.64 1.44 1zwcA9 LEU 15 HB3 -0.22 -0.04 -0.07 -0.04 1.64 1.27 1zwcA9 LEU 15 HG -0.57 -0.05 -0.66 -0.04 1.64 0.32 1zwcA9 LEU 15 HD13 -0.66 0.04 -0.06 -0.04 0.93 0.22 1zwcA9 LEU 15 HD23 -1.24 0.00 -0.06 -0.04 0.89 -0.44 1zwcA9 SER 16 H -0.07 -0.06 -0.04 -0.55 8.46 7.74 1zwcA9 SER 16 HA -0.07 0.23 0.76 -0.75 4.49 4.66 1zwcA9 SER 16 HB2 -0.01 -0.12 0.12 -0.04 3.95 3.89 1zwcA9 SER 16 HB3 -0.03 0.05 0.04 -0.04 3.93 3.95 1zwcA9 SER 17 H 0.01 0.14 0.13 -0.55 8.46 8.19 1zwcA9 SER 17 HA 0.03 0.12 0.52 -0.75 4.49 4.41 1zwcA9 SER 17 HB2 0.01 0.16 -0.21 -0.04 3.95 3.86 1zwcA9 SER 17 HB3 0.02 -0.01 0.04 -0.04 3.93 3.94 1zwcA9 MET 18 H 0.06 0.28 -0.03 -0.55 8.47 8.23 1zwcA9 MET 18 HA 0.07 0.07 0.34 -0.75 4.52 4.24 1zwcA9 MET 18 HB2 0.04 0.17 0.34 -0.04 2.15 2.66 1zwcA9 MET 18 HB3 0.04 0.02 0.09 -0.04 2.03 2.15 1zwcA9 MET 18 HG2 0.03 -0.10 -0.47 -0.04 2.63 2.06 1zwcA9 MET 18 HG3 0.03 0.07 -0.06 -0.04 2.56 2.55 1zwcA9 MET 18 HE3 0.03 0.00 -0.01 -0.04 2.10 2.08 1zwcA9 GLU 19 H 0.06 0.67 -0.18 -0.55 8.60 8.61 1zwcA9 GLU 19 HA 0.09 0.09 0.45 -0.75 4.29 4.17 1zwcA9 GLU 19 HB2 0.08 0.12 0.11 -0.04 2.09 2.36 1zwcA9 GLU 19 HB3 0.07 0.08 0.15 -0.04 1.99 2.24 1zwcA9 GLU 19 HG2 0.03 -0.38 -0.02 -0.04 2.34 1.93 1zwcA9 GLU 19 HG3 0.03 0.21 -0.14 -0.04 2.34 2.41 1zwcA9 ARG 20 H 0.08 -0.05 -0.65 -0.55 8.46 7.28 1zwcA9 ARG 20 HA 0.06 0.23 0.62 -0.75 4.34 4.50 1zwcA9 ARG 20 HB2 0.00 0.13 0.06 -0.04 1.90 2.05 1zwcA9 ARG 20 HB3 -0.11 -0.18 -0.01 -0.04 1.80 1.46 1zwcA9 ARG 20 HG2 0.01 -0.08 -0.67 -0.04 1.67 0.88 1zwcA9 ARG 20 HG3 0.09 -0.13 -0.28 -0.04 1.67 1.31 1zwcA9 ARG 20 HD2 0.08 -0.01 -0.06 -0.04 3.22 3.19 1zwcA9 ARG 20 HD3 0.12 0.03 0.00 -0.04 3.22 3.34 1zwcA9 VAL 21 H 0.30 0.21 -0.51 -0.55 8.24 7.69 1zwcA9 VAL 21 HA 0.15 0.19 0.72 -0.75 4.13 4.43 1zwcA9 VAL 21 HB 0.07 0.05 0.08 -0.04 2.12 2.28 1zwcA9 VAL 21 HG13 0.09 -0.02 -0.23 -0.04 0.97 0.78 1zwcA9 VAL 21 HG23 0.07 0.01 0.06 -0.04 0.95 1.05 1zwcA9 GLU 22 H 0.15 0.29 0.20 -0.55 8.60 8.69 1zwcA9 GLU 22 HA 0.01 0.15 0.63 -0.75 4.29 4.32 1zwcA9 GLU 22 HB2 0.05 0.04 0.11 -0.04 2.09 2.24 1zwcA9 GLU 22 HB3 0.09 0.04 0.19 -0.04 1.99 2.27 1zwcA9 GLU 22 HG2 0.07 0.04 -0.09 -0.04 2.34 2.32 1zwcA9 GLU 22 HG3 0.03 -0.06 0.00 -0.04 2.34 2.27 1zwcA9 TRP 23 H 0.33 0.11 0.03 -0.55 7.97 7.88 1zwcA9 TRP 23 HA 0.01 0.10 0.36 -0.75 4.62 4.33 1zwcA9 TRP 23 HB2 0.01 0.08 0.10 -0.04 3.23 3.39 1zwcA9 TRP 23 HB3 0.02 0.33 0.31 -0.04 3.23 3.84 1zwcA9 TRP 23 HD1 0.01 -0.28 -0.34 -0.04 7.22 6.57 1zwcA9 TRP 23 HE1 0.01 0.12 -0.12 -0.04 10.20 10.16 1zwcA9 TRP 23 HE3 -0.00 0.03 -0.13 -0.04 7.59 7.45 1zwcA9 TRP 23 HZ2 0.00 0.02 -0.12 -0.04 7.44 7.31 1zwcA9 TRP 23 HZ3 -0.02 0.02 -0.06 -0.04 7.13 7.03 1zwcA9 TRP 23 HH2 -0.02 -0.01 -0.13 -0.04 7.19 6.98 1zwcA9 LEU 24 H -1.17 0.09 -0.41 -0.55 8.37 6.34 1zwcA9 LEU 24 HA -1.61 0.06 0.29 -0.75 4.35 2.33 1zwcA9 LEU 24 HB2 -0.56 0.02 0.00 -0.04 1.64 1.06 1zwcA9 LEU 24 HB3 -1.06 -0.00 -0.04 -0.04 1.64 0.50 1zwcA9 LEU 24 HG -0.30 0.01 -0.14 -0.04 1.64 1.16 1zwcA9 LEU 24 HD13 -0.17 0.00 -0.21 -0.04 0.93 0.51 1zwcA9 LEU 24 HD23 -0.03 -0.01 -0.02 -0.04 0.89 0.79 1zwcA9 ARG 25 H -0.25 0.28 -0.47 -0.55 8.46 7.47 1zwcA9 ARG 25 HA -0.16 0.07 0.56 -0.75 4.34 4.06 1zwcA9 ARG 25 HB2 -0.08 0.13 0.20 -0.04 1.90 2.12 1zwcA9 ARG 25 HB3 -0.07 -0.01 0.04 -0.04 1.80 1.71 1zwcA9 ARG 25 HG2 -0.07 -0.01 0.04 -0.04 1.67 1.59 1zwcA9 ARG 25 HG3 -0.12 -0.04 -0.03 -0.04 1.67 1.44 1zwcA9 ARG 25 HD2 -0.06 0.03 0.07 -0.04 3.22 3.22 1zwcA9 ARG 25 HD3 -0.07 0.03 0.25 -0.04 3.22 3.39 1zwcA9 LYS 26 H -0.09 0.40 0.02 -0.55 8.42 8.20 1zwcA9 LYS 26 HA -0.03 0.15 0.42 -0.75 4.32 4.11 1zwcA9 LYS 26 HB2 0.01 -0.04 0.09 -0.04 1.87 1.88 1zwcA9 LYS 26 HB3 0.03 0.01 -0.03 -0.04 1.79 1.76 1zwcA9 LYS 26 HG2 0.02 0.31 0.15 -0.04 1.46 1.90 1zwcA9 LYS 26 HG3 0.02 -0.07 0.05 -0.04 1.46 1.42 1zwcA9 LYS 26 HD2 0.05 -0.06 -0.02 -0.04 1.69 1.62 1zwcA9 LYS 26 HD3 0.05 -0.03 -0.06 -0.04 1.68 1.60 1zwcA9 LYS 26 HE2 0.05 0.07 0.06 -0.04 2.99 3.13 1zwcA9 LYS 26 HE3 0.05 -0.06 0.02 -0.04 2.99 2.97 1zwcA9 LYS 27 H -0.19 0.33 -0.39 -0.55 8.42 7.62 1zwcA9 LYS 27 HA 0.01 0.05 0.39 -0.75 4.32 4.02 1zwcA9 LYS 27 HB2 -0.00 -0.04 0.01 -0.04 1.87 1.80 1zwcA9 LYS 27 HB3 -0.19 0.09 -0.01 -0.04 1.79 1.65 1zwcA9 LYS 27 HG2 -0.46 0.21 0.08 -0.04 1.46 1.25 1zwcA9 LYS 27 HG3 -0.23 -0.01 -0.20 -0.04 1.46 0.98 1zwcA9 LYS 27 HD2 -0.39 -0.03 -0.06 -0.04 1.69 1.17 1zwcA9 LYS 27 HD3 -2.27 -0.07 -0.13 -0.04 1.68 -0.83 1zwcA9 LYS 27 HE2 -0.57 -0.04 -0.03 -0.04 2.99 2.30 1zwcA9 LYS 27 HE3 -0.80 -0.04 0.08 -0.04 2.99 2.19 1zwcA9 LEU 28 H -0.16 0.26 -0.30 -0.55 8.37 7.62 1zwcA9 LEU 28 HA -0.06 0.05 0.50 -0.75 4.35 4.08 1zwcA9 LEU 28 HB2 -0.12 0.10 0.13 -0.04 1.64 1.72 1zwcA9 LEU 28 HB3 -0.09 -0.05 0.05 -0.04 1.64 1.52 1zwcA9 LEU 28 HG -0.19 0.05 0.08 -0.04 1.64 1.54 1zwcA9 LEU 28 HD13 -0.12 -0.01 0.05 -0.04 0.93 0.80 1zwcA9 LEU 28 HD23 -0.08 -0.01 -0.01 -0.04 0.89 0.74 1zwcA9 GLN 29 H -0.08 0.39 -0.21 -0.55 8.47 8.04 1zwcA9 GLN 29 HA -0.01 0.03 0.63 -0.75 4.36 4.26 1zwcA9 GLN 29 HB2 -0.09 -0.04 0.07 -0.04 2.15 2.05 1zwcA9 GLN 29 HB3 -0.04 0.07 0.18 -0.04 2.02 2.19 1zwcA9 GLN 29 HG2 0.08 0.03 0.01 -0.04 2.40 2.48 1zwcA9 GLN 29 HG3 -0.00 -0.03 0.03 -0.04 2.39 2.35 1zwcA9 GLN 29 HE21 0.01 0.08 0.15 -0.04 6.97 7.16 1zwcA9 GLN 29 HE22 -0.00 -0.04 0.03 -0.04 7.69 7.63 1zwcA9 ASP 30 H 0.03 0.24 -0.46 -0.55 8.40 7.65 1zwcA9 ASP 30 HA 0.05 0.21 0.87 -0.75 4.63 5.00 1zwcA9 ASP 30 HB2 0.02 0.22 0.07 -0.04 2.71 2.98 1zwcA9 ASP 30 HB3 0.04 -0.14 0.11 -0.04 2.70 2.67 1zwcA9 VAL 31 H 0.05 0.20 0.10 -0.55 8.24 8.04 1zwcA9 VAL 31 HA 0.08 0.18 0.64 -0.75 4.13 4.27 1zwcA9 VAL 31 HB 0.05 -0.02 0.19 -0.04 2.12 2.30 1zwcA9 VAL 31 HG13 0.04 0.02 -0.01 -0.04 0.97 0.98 1zwcA9 VAL 31 HG23 0.04 0.02 0.01 -0.04 0.95 0.98 1zwcA9 HIS 32 H 0.12 0.14 -0.59 -0.55 8.41 7.53 1zwcA9 HIS 32 HA -0.01 0.09 0.55 -0.75 4.63 4.51 1zwcA9 HIS 32 HB2 -0.03 0.08 0.08 -0.04 3.26 3.36 1zwcA9 HIS 32 HB3 -0.04 -0.02 0.06 -0.04 3.20 3.16 1zwcA9 HIS 32 HD2 -0.07 -0.01 -0.03 -0.04 6.97 6.81 1zwcA9 HIS 32 HE1 -0.04 0.00 -0.05 -0.04 7.75 7.62 1zwcA9 ASN 33 H -0.10 0.31 0.21 -0.55 8.53 8.40 1zwcA9 ASN 33 HA -0.04 0.05 0.29 -0.75 4.76 4.30 1zwcA9 ASN 33 HB2 -0.28 0.03 0.13 -0.04 2.88 2.72 1zwcA9 ASN 33 HB3 -0.25 -0.01 0.02 -0.04 2.79 2.50 1zwcA9 ASN 33 HD21 -0.51 0.02 -0.08 -0.04 7.03 6.42 1zwcA9 ASN 33 HD22 -0.35 -0.06 -0.15 -0.04 7.74 7.13 1zwcA9 PHE 34 H 0.06 0.03 -0.82 -0.55 8.34 7.05 1zwcA9 PHE 34 HA -0.00 0.23 0.26 -0.75 4.62 4.35 1zwcA9 PHE 34 HB2 -0.01 -0.02 0.15 -0.04 3.15 3.23 1zwcA9 PHE 34 HB3 -0.02 -0.11 -0.06 -0.04 3.06 2.83 1zwcA9 PHE 34 HD2 -0.02 -0.14 -0.15 -0.04 7.28 6.94 1zwcA9 PHE 34 HE2 -0.02 -0.09 0.00 -0.04 7.38 7.23 1zwcA9 PHE 34 HZ -0.02 0.10 0.01 -0.04 7.32 7.37 1zwcA9 VAL 35 H -0.26 0.44 -0.74 -0.55 8.24 7.13 1zwcA9 VAL 35 HA -0.15 -0.04 0.24 -0.75 4.13 3.43 1zwcA9 VAL 35 HB -0.02 -0.12 0.12 -0.04 2.12 2.05 1zwcA9 VAL 35 HG13 0.03 0.03 -0.34 -0.04 0.97 0.66 1zwcA9 VAL 35 HG23 0.01 -0.00 0.00 -0.04 0.95 0.91 1zwcA9 ALA 36 H -0.11 0.08 0.07 -0.55 8.40 7.89 1zwcA9 ALA 36 HA -0.07 -0.04 0.39 -0.75 4.34 3.87 1zwcA9 ALA 36 HB3 -0.01 0.02 0.02 -0.04 1.41 1.40 1zwcA9 LEU 37 H -0.79 0.85 -0.03 -0.55 8.37 7.86 1zwcA9 LEU 37 HA -0.36 0.09 0.14 -0.75 4.35 3.47 1zwcA9 LEU 37 HB2 -0.11 0.21 0.12 -0.04 1.64 1.82 1zwcA9 LEU 37 HB3 -0.10 -0.06 0.04 -0.04 1.64 1.48 1zwcA9 LEU 37 HG -0.39 0.17 -0.23 -0.04 1.64 1.14 1zwcA9 LEU 37 HD13 -0.14 -0.04 -0.32 -0.04 0.93 0.38 1zwcA9 LEU 37 HD23 -0.16 -0.02 -0.06 -0.04 0.89 0.61