============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 4 rings ring int. center anis. iso. HIS 21 0.900 -5.145 1.575 6.489 -99.200 -91.000 PHE 26 1.000 -1.127 7.030 -1.873 -99.200 -91.000 TYR 29 0.840 -2.396 11.591 2.901 -99.200 -91.000 PHE 35 1.000 -3.367 22.026 -4.135 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1m7lA13 GLY 1 HA2 0.00 0.04 0.15 -0.51 4.01 3.69 1m7lA13 GLY 1 HA3 0.00 -0.04 0.21 -0.51 4.01 3.67 1m7lA13 LEU 2 H 0.00 0.14 0.11 -0.55 8.37 8.08 1m7lA13 LEU 2 HA 0.00 0.09 0.46 -0.75 4.35 4.15 1m7lA13 LEU 2 HB2 0.00 0.03 0.17 -0.04 1.64 1.80 1m7lA13 LEU 2 HB3 0.00 -0.01 0.01 -0.04 1.64 1.61 1m7lA13 LEU 2 HG 0.00 0.03 0.05 -0.04 1.64 1.68 1m7lA13 LEU 2 HD13 0.00 0.01 0.02 -0.04 0.93 0.91 1m7lA13 LEU 2 HD23 0.00 0.01 0.07 -0.04 0.89 0.93 1m7lA13 PRO 3 HA 0.00 0.06 0.36 -0.51 4.44 4.35 1m7lA13 PRO 3 HB2 0.00 0.07 -0.03 -0.04 2.28 2.27 1m7lA13 PRO 3 HB3 0.00 0.06 0.06 -0.04 2.02 2.10 1m7lA13 PRO 3 HG2 0.00 0.09 0.05 -0.04 2.03 2.12 1m7lA13 PRO 3 HG3 0.00 0.07 0.08 -0.04 2.03 2.14 1m7lA13 PRO 3 HD2 0.00 0.02 0.08 -0.04 3.68 3.75 1m7lA13 PRO 3 HD3 0.00 0.13 0.15 -0.04 3.65 3.89 1m7lA13 ASP 4 H 0.00 0.22 -0.50 -0.55 8.40 7.57 1m7lA13 ASP 4 HA 0.00 0.02 0.37 -0.75 4.63 4.26 1m7lA13 ASP 4 HB2 0.00 0.29 0.04 -0.04 2.71 3.00 1m7lA13 ASP 4 HB3 0.00 -0.03 0.01 -0.04 2.70 2.63 1m7lA13 VAL 5 H 0.00 0.42 -0.22 -0.55 8.24 7.90 1m7lA13 VAL 5 HA 0.00 0.04 0.43 -0.75 4.13 3.85 1m7lA13 VAL 5 HB 0.00 0.14 0.26 -0.04 2.12 2.48 1m7lA13 VAL 5 HG13 0.00 -0.02 -0.07 -0.04 0.97 0.84 1m7lA13 VAL 5 HG23 0.00 0.06 0.11 -0.04 0.95 1.08 1m7lA13 ALA 6 H 0.00 0.39 -0.03 -0.55 8.40 8.22 1m7lA13 ALA 6 HA 0.00 0.05 0.47 -0.75 4.34 4.11 1m7lA13 ALA 6 HB3 0.00 0.02 0.08 -0.04 1.41 1.48 1m7lA13 SER 7 H 0.00 0.54 -0.18 -0.55 8.46 8.27 1m7lA13 SER 7 HA 0.00 0.01 0.44 -0.75 4.49 4.19 1m7lA13 SER 7 HB2 0.00 0.09 0.11 -0.04 3.95 4.12 1m7lA13 SER 7 HB3 0.00 -0.05 0.09 -0.04 3.93 3.93 1m7lA13 LEU 8 H 0.00 0.36 -0.60 -0.55 8.37 7.58 1m7lA13 LEU 8 HA 0.00 0.03 0.56 -0.75 4.35 4.19 1m7lA13 LEU 8 HB2 0.00 0.10 0.14 -0.04 1.64 1.85 1m7lA13 LEU 8 HB3 0.00 0.26 0.22 -0.04 1.64 2.08 1m7lA13 LEU 8 HG 0.00 -0.05 -0.10 -0.04 1.64 1.46 1m7lA13 LEU 8 HD13 0.00 -0.02 0.05 -0.04 0.93 0.92 1m7lA13 LEU 8 HD23 0.00 -0.00 -0.00 -0.04 0.89 0.85 1m7lA13 ARG 9 H 0.00 0.39 -0.18 -0.55 8.46 8.12 1m7lA13 ARG 9 HA 0.00 0.04 0.45 -0.75 4.34 4.08 1m7lA13 ARG 9 HB2 0.00 0.05 0.08 -0.04 1.90 1.99 1m7lA13 ARG 9 HB3 0.00 -0.04 0.11 -0.04 1.80 1.84 1m7lA13 ARG 9 HG2 0.00 0.11 0.36 -0.04 1.67 2.10 1m7lA13 ARG 9 HG3 0.00 -0.06 0.10 -0.04 1.67 1.68 1m7lA13 ARG 9 HD2 0.00 -0.04 0.02 -0.04 3.22 3.16 1m7lA13 ARG 9 HD3 0.00 -0.02 -0.06 -0.04 3.22 3.11 1m7lA13 GLN 10 H 0.00 0.36 -0.24 -0.55 8.47 8.04 1m7lA13 GLN 10 HA 0.00 0.05 0.49 -0.75 4.36 4.15 1m7lA13 GLN 10 HB2 0.00 0.01 -0.01 -0.04 2.15 2.11 1m7lA13 GLN 10 HB3 0.00 -0.01 0.10 -0.04 2.02 2.07 1m7lA13 GLN 10 HG2 0.00 0.09 0.14 -0.04 2.40 2.59 1m7lA13 GLN 10 HG3 0.00 0.47 0.20 -0.04 2.39 3.03 1m7lA13 GLN 10 HE21 0.00 0.02 -0.06 -0.04 6.97 6.89 1m7lA13 GLN 10 HE22 0.00 -0.02 -0.00 -0.04 7.69 7.63 1m7lA13 GLN 11 H 0.00 0.36 -0.28 -0.55 8.47 8.01 1m7lA13 GLN 11 HA 0.00 0.02 0.45 -0.75 4.36 4.09 1m7lA13 GLN 11 HB2 0.00 0.17 0.21 -0.04 2.15 2.50 1m7lA13 GLN 11 HB3 0.01 -0.06 0.09 -0.04 2.02 2.02 1m7lA13 GLN 11 HG2 0.00 -0.07 0.07 -0.04 2.40 2.36 1m7lA13 GLN 11 HG3 0.00 0.38 0.18 -0.04 2.39 2.91 1m7lA13 GLN 11 HE21 0.00 -0.02 0.02 -0.04 6.97 6.92 1m7lA13 GLN 11 HE22 0.00 -0.01 -0.00 -0.04 7.69 7.64 1m7lA13 VAL 12 H 0.01 0.39 -0.45 -0.55 8.24 7.64 1m7lA13 VAL 12 HA 0.01 0.02 0.51 -0.75 4.13 3.91 1m7lA13 VAL 12 HB 0.01 0.25 0.21 -0.04 2.12 2.55 1m7lA13 VAL 12 HG13 0.01 -0.03 -0.02 -0.04 0.97 0.89 1m7lA13 VAL 12 HG23 0.01 0.13 0.05 -0.04 0.95 1.10 1m7lA13 GLU 13 H 0.01 0.45 -0.10 -0.55 8.60 8.41 1m7lA13 GLU 13 HA 0.01 0.02 0.42 -0.75 4.29 3.99 1m7lA13 GLU 13 HB2 0.01 0.07 0.18 -0.04 2.09 2.30 1m7lA13 GLU 13 HB3 0.01 0.12 0.13 -0.04 1.99 2.20 1m7lA13 GLU 13 HG2 0.01 -0.01 0.02 -0.04 2.34 2.32 1m7lA13 GLU 13 HG3 0.01 -0.02 0.00 -0.04 2.34 2.29 1m7lA13 ALA 14 H 0.01 0.36 -0.43 -0.55 8.40 7.79 1m7lA13 ALA 14 HA 0.01 0.04 0.40 -0.75 4.34 4.03 1m7lA13 ALA 14 HB3 0.01 0.09 0.13 -0.04 1.41 1.59 1m7lA13 LEU 15 H 0.01 0.60 0.04 -0.55 8.37 8.48 1m7lA13 LEU 15 HA 0.03 0.03 0.45 -0.75 4.35 4.10 1m7lA13 LEU 15 HB2 0.02 0.08 0.19 -0.04 1.64 1.89 1m7lA13 LEU 15 HB3 0.02 0.07 0.18 -0.04 1.64 1.86 1m7lA13 LEU 15 HG 0.02 0.01 0.04 -0.04 1.64 1.66 1m7lA13 LEU 15 HD13 0.02 -0.01 -0.11 -0.04 0.93 0.78 1m7lA13 LEU 15 HD23 0.02 -0.02 0.10 -0.04 0.89 0.95 1m7lA13 GLN 16 H 0.02 0.65 -0.23 -0.55 8.47 8.37 1m7lA13 GLN 16 HA 0.03 -0.00 0.52 -0.75 4.36 4.16 1m7lA13 GLN 16 HB2 0.03 -0.07 0.10 -0.04 2.15 2.17 1m7lA13 GLN 16 HB3 0.02 0.04 0.11 -0.04 2.02 2.15 1m7lA13 GLN 16 HG2 0.02 0.15 0.24 -0.04 2.40 2.76 1m7lA13 GLN 16 HG3 0.02 0.03 -0.12 -0.04 2.39 2.28 1m7lA13 GLN 16 HE21 0.01 -0.02 -0.02 -0.04 6.97 6.90 1m7lA13 GLN 16 HE22 0.02 -0.03 -0.03 -0.04 7.69 7.61 1m7lA13 GLY 17 H 0.03 0.39 -0.50 -0.55 8.43 7.81 1m7lA13 GLY 17 HA2 0.05 -0.00 0.47 -0.51 4.01 4.02 1m7lA13 GLY 17 HA3 0.03 0.13 0.37 -0.51 4.01 4.02 1m7lA13 GLN 18 H 0.08 0.34 -0.39 -0.55 8.47 7.96 1m7lA13 GLN 18 HA 0.45 0.07 0.52 -0.75 4.36 4.65 1m7lA13 GLN 18 HB2 0.08 0.12 0.18 -0.04 2.15 2.49 1m7lA13 GLN 18 HB3 0.16 -0.04 0.05 -0.04 2.02 2.15 1m7lA13 GLN 18 HG2 0.05 0.18 0.15 -0.04 2.40 2.74 1m7lA13 GLN 18 HG3 0.06 -0.04 0.05 -0.04 2.39 2.41 1m7lA13 GLN 18 HE21 0.01 0.26 0.00 -0.04 6.97 7.20 1m7lA13 GLN 18 HE22 -0.06 -0.03 -0.06 -0.04 7.69 7.50 1m7lA13 VAL 19 H 0.07 0.41 0.02 -0.55 8.24 8.18 1m7lA13 VAL 19 HA 0.00 0.06 0.49 -0.75 4.13 3.93 1m7lA13 VAL 19 HB 0.03 0.01 0.12 -0.04 2.12 2.24 1m7lA13 VAL 19 HG13 0.04 0.09 0.14 -0.04 0.97 1.20 1m7lA13 VAL 19 HG23 0.04 -0.01 0.01 -0.04 0.95 0.94 1m7lA13 GLN 20 H 0.08 0.55 -0.23 -0.55 8.47 8.33 1m7lA13 GLN 20 HA 0.05 0.05 0.48 -0.75 4.36 4.18 1m7lA13 GLN 20 HB2 0.05 -0.04 0.05 -0.04 2.15 2.17 1m7lA13 GLN 20 HB3 0.05 0.05 0.12 -0.04 2.02 2.20 1m7lA13 GLN 20 HG2 0.08 0.12 0.30 -0.04 2.40 2.85 1m7lA13 GLN 20 HG3 0.12 0.02 0.09 -0.04 2.39 2.59 1m7lA13 GLN 20 HE21 0.03 -0.02 -0.01 -0.04 6.97 6.93 1m7lA13 GLN 20 HE22 0.06 -0.03 -0.08 -0.04 7.69 7.59 1m7lA13 HIS 21 H 0.22 0.48 -0.19 -0.55 8.41 8.38 1m7lA13 HIS 21 HA 0.03 0.06 0.60 -0.75 4.63 4.56 1m7lA13 HIS 21 HB2 0.01 -0.05 0.15 -0.04 3.26 3.33 1m7lA13 HIS 21 HB3 0.01 0.12 0.18 -0.04 3.20 3.47 1m7lA13 HIS 21 HD2 0.01 -0.05 -0.03 -0.04 6.97 6.85 1m7lA13 HIS 21 HE1 0.00 -0.09 0.08 -0.04 7.75 7.70 1m7lA13 LEU 22 H -0.21 0.30 -0.52 -0.55 8.37 7.40 1m7lA13 LEU 22 HA -0.34 0.05 0.54 -0.75 4.35 3.85 1m7lA13 LEU 22 HB2 -0.07 0.14 0.20 -0.04 1.64 1.87 1m7lA13 LEU 22 HB3 -0.14 -0.05 0.05 -0.04 1.64 1.45 1m7lA13 LEU 22 HG -0.25 0.47 0.04 -0.04 1.64 1.86 1m7lA13 LEU 22 HD13 -0.07 -0.03 -0.03 -0.04 0.93 0.77 1m7lA13 LEU 22 HD23 -0.44 -0.03 -0.01 -0.04 0.89 0.38 1m7lA13 GLN 23 H 0.02 0.43 -0.20 -0.55 8.47 8.18 1m7lA13 GLN 23 HA 0.37 0.04 0.46 -0.75 4.36 4.48 1m7lA13 GLN 23 HB2 0.08 0.14 0.19 -0.04 2.15 2.52 1m7lA13 GLN 23 HB3 0.07 0.09 0.08 -0.04 2.02 2.22 1m7lA13 GLN 23 HG2 0.08 -0.02 0.05 -0.04 2.40 2.47 1m7lA13 GLN 23 HG3 0.04 -0.01 0.02 -0.04 2.39 2.40 1m7lA13 GLN 23 HE21 -0.04 0.00 0.01 -0.04 6.97 6.89 1m7lA13 GLN 23 HE22 0.00 0.01 -0.04 -0.04 7.69 7.62 1m7lA13 ALA 24 H 0.04 0.28 -0.36 -0.55 8.40 7.82 1m7lA13 ALA 24 HA 0.04 0.04 0.39 -0.75 4.34 4.05 1m7lA13 ALA 24 HB3 0.06 0.07 0.15 -0.04 1.41 1.65 1m7lA13 ALA 25 H 0.00 0.57 -0.16 -0.55 8.40 8.26 1m7lA13 ALA 25 HA -0.06 0.03 0.43 -0.75 4.34 3.99 1m7lA13 ALA 25 HB3 0.11 0.05 0.13 -0.04 1.41 1.66 1m7lA13 PHE 26 H 0.12 0.43 -0.39 -0.55 8.34 7.95 1m7lA13 PHE 26 HA 0.24 -0.07 0.37 -0.75 4.62 4.40 1m7lA13 PHE 26 HB2 0.03 0.09 0.25 -0.04 3.15 3.48 1m7lA13 PHE 26 HB3 0.02 -0.03 -0.05 -0.04 3.06 2.97 1m7lA13 PHE 26 HD2 0.07 -0.07 -0.07 -0.04 7.28 7.17 1m7lA13 PHE 26 HE2 0.01 -0.01 -0.04 -0.04 7.38 7.29 1m7lA13 PHE 26 HZ -0.01 -0.01 -0.02 -0.04 7.32 7.24 1m7lA13 SER 27 H 0.08 0.45 -0.54 -0.55 8.46 7.91 1m7lA13 SER 27 HA 0.03 -0.02 0.33 -0.75 4.49 4.08 1m7lA13 SER 27 HB2 0.02 0.02 0.18 -0.04 3.95 4.13 1m7lA13 SER 27 HB3 -0.02 0.11 0.11 -0.04 3.93 4.08 1m7lA13 GLN 28 H -0.19 0.44 -0.50 -0.55 8.47 7.68 1m7lA13 GLN 28 HA -0.09 0.15 0.77 -0.75 4.36 4.44 1m7lA13 GLN 28 HB2 -0.68 0.08 0.13 -0.04 2.15 1.64 1m7lA13 GLN 28 HB3 -0.23 -0.03 0.01 -0.04 2.02 1.73 1m7lA13 GLN 28 HG2 -0.16 0.02 -0.03 -0.04 2.40 2.18 1m7lA13 GLN 28 HG3 -0.19 -0.03 0.02 -0.04 2.39 2.16 1m7lA13 GLN 28 HE21 -0.06 -0.02 -0.01 -0.04 6.97 6.85 1m7lA13 GLN 28 HE22 -0.03 -0.01 -0.01 -0.04 7.69 7.60 1m7lA13 TYR 29 H -0.44 0.29 0.11 -0.55 8.29 7.70 1m7lA13 TYR 29 HA 0.04 0.05 0.41 -0.75 4.56 4.32 1m7lA13 TYR 29 HB2 0.20 0.02 0.06 -0.04 3.06 3.30 1m7lA13 TYR 29 HB3 0.07 -0.03 0.09 -0.04 2.98 3.07 1m7lA13 TYR 29 HD2 -0.12 -0.02 -0.18 -0.04 7.15 6.80 1m7lA13 TYR 29 HE2 -0.07 -0.04 -0.05 -0.04 6.85 6.65 1m7lA13 LYS 30 H 0.15 0.76 -0.23 -0.55 8.42 8.54 1m7lA13 LYS 30 HA 0.06 0.03 0.51 -0.75 4.32 4.18 1m7lA13 LYS 30 HB2 0.02 0.11 -0.01 -0.04 1.87 1.95 1m7lA13 LYS 30 HB3 -0.04 -0.04 0.01 -0.04 1.79 1.68 1m7lA13 LYS 30 HG2 -0.21 -0.06 0.01 -0.04 1.46 1.16 1m7lA13 LYS 30 HG3 0.12 0.10 -0.05 -0.04 1.46 1.59 1m7lA13 LYS 30 HD2 -0.26 -0.05 -0.05 -0.04 1.69 1.29 1m7lA13 LYS 30 HD3 -0.05 0.03 -0.11 -0.04 1.68 1.51 1m7lA13 LYS 30 HE2 -0.09 0.02 -0.02 -0.04 2.99 2.87 1m7lA13 LYS 30 HE3 -0.20 -0.03 0.00 -0.04 2.99 2.72 1m7lA13 LYS 31 H 0.00 0.32 -0.44 -0.55 8.42 7.74 1m7lA13 LYS 31 HA -0.10 0.18 0.71 -0.75 4.32 4.36 1m7lA13 LYS 31 HB2 -0.03 -0.05 0.17 -0.04 1.87 1.92 1m7lA13 LYS 31 HB3 -0.02 -0.02 0.02 -0.04 1.79 1.72 1m7lA13 LYS 31 HG2 0.00 -0.01 0.10 -0.04 1.46 1.51 1m7lA13 LYS 31 HG3 -0.01 0.12 0.07 -0.04 1.46 1.60 1m7lA13 LYS 31 HD2 0.04 0.03 -0.12 -0.04 1.69 1.60 1m7lA13 LYS 31 HD3 0.08 -0.09 0.06 -0.04 1.68 1.69 1m7lA13 LYS 31 HE2 -0.02 0.09 0.17 -0.04 2.99 3.19 1m7lA13 LYS 31 HE3 0.05 -0.09 0.03 -0.04 2.99 2.94 1m7lA13 VAL 32 H -0.04 0.25 -0.83 -0.55 8.24 7.06 1m7lA13 VAL 32 HA -0.14 0.14 0.75 -0.75 4.13 4.13 1m7lA13 VAL 32 HB 0.07 0.36 0.19 -0.04 2.12 2.69 1m7lA13 VAL 32 HG13 0.05 -0.03 -0.12 -0.04 0.97 0.84 1m7lA13 VAL 32 HG23 0.15 0.03 0.01 -0.04 0.95 1.10 1m7lA13 GLU 33 H -0.09 0.23 -0.02 -0.55 8.60 8.17 1m7lA13 GLU 33 HA -0.13 0.11 1.00 -0.75 4.29 4.52 1m7lA13 GLU 33 HB2 -0.03 -0.02 0.04 -0.04 2.09 2.04 1m7lA13 GLU 33 HB3 -0.04 0.03 0.21 -0.04 1.99 2.15 1m7lA13 GLU 33 HG2 -0.04 0.06 -0.25 -0.04 2.34 2.06 1m7lA13 GLU 33 HG3 -0.02 -0.02 -0.02 -0.04 2.34 2.24 1m7lA13 LEU 34 H -0.25 0.12 0.14 -0.55 8.37 7.84 1m7lA13 LEU 34 HA -0.07 0.06 0.39 -0.75 4.35 3.97 1m7lA13 LEU 34 HB2 -0.08 -0.03 0.05 -0.04 1.64 1.54 1m7lA13 LEU 34 HB3 -0.13 0.25 0.05 -0.04 1.64 1.76 1m7lA13 LEU 34 HG -0.19 -0.01 -0.18 -0.04 1.64 1.22 1m7lA13 LEU 34 HD13 -0.14 0.02 -0.11 -0.04 0.93 0.65 1m7lA13 LEU 34 HD23 -1.12 0.00 -0.50 -0.04 0.89 -0.77 1m7lA13 PHE 35 H -0.52 0.10 0.13 -0.55 8.34 7.50 1m7lA13 PHE 35 HA 0.01 0.22 0.97 -0.75 4.62 5.07 1m7lA13 PHE 35 HB2 0.01 -0.03 0.12 -0.04 3.15 3.20 1m7lA13 PHE 35 HB3 0.01 0.00 -0.02 -0.04 3.06 3.01 1m7lA13 PHE 35 HD2 0.01 -0.00 -0.16 -0.04 7.28 7.09 1m7lA13 PHE 35 HE2 0.01 -0.03 0.05 -0.04 7.38 7.37 1m7lA13 PHE 35 HZ 0.02 -0.01 0.07 -0.04 7.32 7.35 1m7lA13 PRO 36 HA 0.19 0.10 0.61 -0.51 4.44 4.83 1m7lA13 PRO 36 HB2 0.10 0.06 0.07 -0.04 2.28 2.46 1m7lA13 PRO 36 HB3 0.23 0.04 0.14 -0.04 2.02 2.39 1m7lA13 PRO 36 HG2 0.03 -0.01 0.01 -0.04 2.03 2.03 1m7lA13 PRO 36 HG3 0.03 0.23 0.16 -0.04 2.03 2.41 1m7lA13 PRO 36 HD2 -0.03 -0.04 0.17 -0.04 3.68 3.74 1m7lA13 PRO 36 HD3 -0.21 0.21 0.36 -0.04 3.65 3.97 1m7lA13 ASN 37 H 0.07 0.16 0.19 -0.55 8.53 8.40 1m7lA13 ASN 37 HA 0.04 0.21 0.82 -0.75 4.76 5.07 1m7lA13 ASN 37 HB2 0.03 -0.00 -0.03 -0.04 2.88 2.84 1m7lA13 ASN 37 HB3 0.03 -0.05 0.11 -0.04 2.79 2.83 1m7lA13 ASN 37 HD21 0.03 -0.04 -0.06 -0.04 7.03 6.92 1m7lA13 ASN 37 HD22 0.04 0.04 -0.09 -0.04 7.74 7.69 1m7lA13 GLY 38 H 0.02 0.17 0.13 -0.55 8.43 8.21 1m7lA13 GLY 38 HA2 0.02 0.13 0.73 -0.51 4.01 4.38 1m7lA13 GLY 38 HA3 0.01 0.02 0.35 -0.51 4.01 3.89 1m7lA13 GLY 39 H 0.02 0.21 0.15 -0.55 8.43 8.27 1m7lA13 GLY 39 HA2 0.01 0.20 0.68 -0.51 4.01 4.39 1m7lA13 GLY 39 HA3 0.01 0.05 0.34 -0.51 4.01 3.90 1m7lA13 ILE 40 H 0.01 -0.01 -0.52 -0.55 8.25 7.18 1m7lA13 ILE 40 HA 0.01 0.28 0.73 -0.75 4.18 4.44 1m7lA13 ILE 40 HB 0.01 -0.01 0.02 -0.04 1.89 1.87 1m7lA13 ILE 40 HG12 0.01 0.10 -0.16 -0.04 1.49 1.40 1m7lA13 ILE 40 HG13 0.01 -0.13 -0.20 -0.04 1.21 0.85 1m7lA13 ILE 40 HG23 0.00 0.01 0.02 -0.04 0.93 0.93 1m7lA13 ILE 40 HD13 0.01 0.01 -0.03 -0.04 0.88 0.83