============================================================================= 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 -4.994 1.303 6.190 -99.200 -91.000 PHE 26 1.000 -0.920 6.786 -2.025 -99.200 -91.000 TYR 29 0.840 -2.028 11.603 2.758 -99.200 -91.000 PHE 35 1.000 -3.793 22.391 -5.778 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1m7lA12 GLY 1 HA2 0.00 0.04 0.14 -0.51 4.01 3.69 1m7lA12 GLY 1 HA3 0.00 -0.04 0.23 -0.51 4.01 3.69 1m7lA12 LEU 2 H 0.00 0.14 0.11 -0.55 8.37 8.08 1m7lA12 LEU 2 HA 0.00 0.07 0.43 -0.75 4.35 4.09 1m7lA12 LEU 2 HB2 0.00 0.03 0.18 -0.04 1.64 1.81 1m7lA12 LEU 2 HB3 0.00 0.00 0.03 -0.04 1.64 1.63 1m7lA12 LEU 2 HG 0.00 -0.01 0.10 -0.04 1.64 1.69 1m7lA12 LEU 2 HD13 0.00 0.01 0.04 -0.04 0.93 0.94 1m7lA12 LEU 2 HD23 0.00 0.00 0.04 -0.04 0.89 0.89 1m7lA12 PRO 3 HA 0.00 0.05 0.37 -0.51 4.44 4.35 1m7lA12 PRO 3 HB2 0.00 0.06 -0.01 -0.04 2.28 2.29 1m7lA12 PRO 3 HB3 0.00 0.05 0.06 -0.04 2.02 2.09 1m7lA12 PRO 3 HG2 0.00 0.09 0.04 -0.04 2.03 2.12 1m7lA12 PRO 3 HG3 0.00 0.06 0.07 -0.04 2.03 2.12 1m7lA12 PRO 3 HD2 0.00 0.08 -0.03 -0.04 3.68 3.69 1m7lA12 PRO 3 HD3 0.00 0.10 0.15 -0.04 3.65 3.87 1m7lA12 ASP 4 H 0.00 0.24 -0.41 -0.55 8.40 7.69 1m7lA12 ASP 4 HA 0.00 0.01 0.36 -0.75 4.63 4.25 1m7lA12 ASP 4 HB2 0.00 0.27 0.05 -0.04 2.71 2.99 1m7lA12 ASP 4 HB3 0.00 -0.05 0.03 -0.04 2.70 2.65 1m7lA12 VAL 5 H 0.00 0.42 -0.27 -0.55 8.24 7.85 1m7lA12 VAL 5 HA 0.00 0.03 0.47 -0.75 4.13 3.88 1m7lA12 VAL 5 HB 0.00 0.12 0.25 -0.04 2.12 2.46 1m7lA12 VAL 5 HG13 0.00 -0.02 -0.06 -0.04 0.97 0.85 1m7lA12 VAL 5 HG23 0.00 0.09 0.06 -0.04 0.95 1.05 1m7lA12 ALA 6 H 0.00 0.44 0.03 -0.55 8.40 8.32 1m7lA12 ALA 6 HA 0.00 0.04 0.46 -0.75 4.34 4.08 1m7lA12 ALA 6 HB3 0.00 0.02 0.09 -0.04 1.41 1.48 1m7lA12 SER 7 H 0.00 0.60 -0.10 -0.55 8.46 8.41 1m7lA12 SER 7 HA 0.00 0.01 0.41 -0.75 4.49 4.16 1m7lA12 SER 7 HB2 0.00 0.06 0.08 -0.04 3.95 4.06 1m7lA12 SER 7 HB3 0.00 -0.04 0.06 -0.04 3.93 3.90 1m7lA12 LEU 8 H 0.00 0.37 -0.49 -0.55 8.37 7.71 1m7lA12 LEU 8 HA 0.00 0.05 0.56 -0.75 4.35 4.21 1m7lA12 LEU 8 HB2 0.00 0.16 0.18 -0.04 1.64 1.94 1m7lA12 LEU 8 HB3 0.00 0.08 0.26 -0.04 1.64 1.94 1m7lA12 LEU 8 HG 0.00 -0.06 -0.22 -0.04 1.64 1.33 1m7lA12 LEU 8 HD13 0.00 -0.01 0.01 -0.04 0.93 0.89 1m7lA12 LEU 8 HD23 0.00 -0.01 -0.02 -0.04 0.89 0.83 1m7lA12 ARG 9 H 0.00 0.68 0.11 -0.55 8.46 8.70 1m7lA12 ARG 9 HA 0.00 0.02 0.40 -0.75 4.34 4.01 1m7lA12 ARG 9 HB2 0.00 -0.04 0.08 -0.04 1.90 1.90 1m7lA12 ARG 9 HB3 0.00 0.00 0.14 -0.04 1.80 1.91 1m7lA12 ARG 9 HG2 0.00 -0.05 0.01 -0.04 1.67 1.60 1m7lA12 ARG 9 HG3 0.00 0.12 0.33 -0.04 1.67 2.08 1m7lA12 ARG 9 HD2 0.00 0.01 0.10 -0.04 3.22 3.30 1m7lA12 ARG 9 HD3 0.00 -0.02 -0.17 -0.04 3.22 2.99 1m7lA12 GLN 10 H 0.00 0.43 -0.47 -0.55 8.47 7.89 1m7lA12 GLN 10 HA 0.00 0.05 0.54 -0.75 4.36 4.20 1m7lA12 GLN 10 HB2 0.00 -0.05 0.07 -0.04 2.15 2.13 1m7lA12 GLN 10 HB3 0.00 0.04 0.11 -0.04 2.02 2.13 1m7lA12 GLN 10 HG2 0.00 0.09 0.15 -0.04 2.40 2.60 1m7lA12 GLN 10 HG3 0.00 0.01 0.02 -0.04 2.39 2.38 1m7lA12 GLN 10 HE21 0.00 -0.04 0.02 -0.04 6.97 6.91 1m7lA12 GLN 10 HE22 0.00 0.07 0.15 -0.04 7.69 7.87 1m7lA12 GLN 11 H 0.00 0.43 -0.17 -0.55 8.47 8.19 1m7lA12 GLN 11 HA 0.01 -0.01 0.43 -0.75 4.36 4.04 1m7lA12 GLN 11 HB2 0.01 0.21 0.22 -0.04 2.15 2.55 1m7lA12 GLN 11 HB3 0.01 -0.09 0.16 -0.04 2.02 2.05 1m7lA12 GLN 11 HG2 0.00 -0.09 0.09 -0.04 2.40 2.36 1m7lA12 GLN 11 HG3 0.00 0.24 0.20 -0.04 2.39 2.80 1m7lA12 GLN 11 HE21 0.00 0.24 -0.06 -0.04 6.97 7.12 1m7lA12 GLN 11 HE22 0.00 -0.07 -0.04 -0.04 7.69 7.53 1m7lA12 VAL 12 H 0.01 0.27 -0.93 -0.55 8.24 7.03 1m7lA12 VAL 12 HA 0.01 0.07 0.60 -0.75 4.13 4.06 1m7lA12 VAL 12 HB 0.01 0.19 0.15 -0.04 2.12 2.43 1m7lA12 VAL 12 HG13 0.01 -0.02 0.01 -0.04 0.97 0.93 1m7lA12 VAL 12 HG23 0.01 -0.05 0.02 -0.04 0.95 0.89 1m7lA12 GLU 13 H 0.01 0.47 0.02 -0.55 8.60 8.55 1m7lA12 GLU 13 HA 0.01 0.07 0.53 -0.75 4.29 4.15 1m7lA12 GLU 13 HB2 0.01 -0.03 0.13 -0.04 2.09 2.16 1m7lA12 GLU 13 HB3 0.01 0.02 0.15 -0.04 1.99 2.12 1m7lA12 GLU 13 HG2 0.01 0.36 0.31 -0.04 2.34 2.97 1m7lA12 GLU 13 HG3 0.01 -0.04 -0.05 -0.04 2.34 2.22 1m7lA12 ALA 14 H 0.01 0.21 -0.57 -0.55 8.40 7.50 1m7lA12 ALA 14 HA 0.01 0.08 0.47 -0.75 4.34 4.15 1m7lA12 ALA 14 HB3 0.01 0.08 0.09 -0.04 1.41 1.55 1m7lA12 LEU 15 H 0.02 0.49 -0.08 -0.55 8.37 8.25 1m7lA12 LEU 15 HA 0.03 0.03 0.43 -0.75 4.35 4.09 1m7lA12 LEU 15 HB2 0.02 0.19 0.25 -0.04 1.64 2.05 1m7lA12 LEU 15 HB3 0.02 0.10 0.17 -0.04 1.64 1.89 1m7lA12 LEU 15 HG 0.02 -0.03 -0.00 -0.04 1.64 1.59 1m7lA12 LEU 15 HD13 0.02 -0.01 0.08 -0.04 0.93 0.98 1m7lA12 LEU 15 HD23 0.01 0.00 0.03 -0.04 0.89 0.89 1m7lA12 GLN 16 H 0.02 0.37 -0.45 -0.55 8.47 7.87 1m7lA12 GLN 16 HA 0.03 0.03 0.46 -0.75 4.36 4.13 1m7lA12 GLN 16 HB2 0.02 0.05 0.11 -0.04 2.15 2.29 1m7lA12 GLN 16 HB3 0.02 0.11 0.15 -0.04 2.02 2.26 1m7lA12 GLN 16 HG2 0.02 0.01 -0.02 -0.04 2.40 2.37 1m7lA12 GLN 16 HG3 0.03 -0.06 -0.20 -0.04 2.39 2.12 1m7lA12 GLN 16 HE21 0.01 0.01 -0.01 -0.04 6.97 6.95 1m7lA12 GLN 16 HE22 0.01 -0.00 -0.01 -0.04 7.69 7.65 1m7lA12 GLY 17 H 0.03 0.40 -0.28 -0.55 8.43 8.04 1m7lA12 GLY 17 HA2 0.06 -0.00 0.42 -0.51 4.01 3.98 1m7lA12 GLY 17 HA3 0.04 0.10 0.36 -0.51 4.01 4.00 1m7lA12 GLN 18 H 0.08 0.35 -0.50 -0.55 8.47 7.85 1m7lA12 GLN 18 HA 0.50 0.06 0.51 -0.75 4.36 4.67 1m7lA12 GLN 18 HB2 0.08 0.19 0.19 -0.04 2.15 2.56 1m7lA12 GLN 18 HB3 0.13 -0.04 0.02 -0.04 2.02 2.09 1m7lA12 GLN 18 HG2 0.11 -0.04 0.01 -0.04 2.40 2.44 1m7lA12 GLN 18 HG3 0.06 0.25 0.05 -0.04 2.39 2.72 1m7lA12 GLN 18 HE21 0.03 0.03 -0.27 -0.04 6.97 6.72 1m7lA12 GLN 18 HE22 0.03 -0.02 -0.04 -0.04 7.69 7.62 1m7lA12 VAL 19 H 0.06 0.52 0.01 -0.55 8.24 8.27 1m7lA12 VAL 19 HA -0.02 0.05 0.50 -0.75 4.13 3.90 1m7lA12 VAL 19 HB 0.03 0.10 0.18 -0.04 2.12 2.38 1m7lA12 VAL 19 HG13 0.03 0.05 0.06 -0.04 0.97 1.07 1m7lA12 VAL 19 HG23 0.03 -0.02 0.07 -0.04 0.95 0.99 1m7lA12 GLN 20 H 0.07 0.51 -0.31 -0.55 8.47 8.19 1m7lA12 GLN 20 HA 0.04 0.07 0.53 -0.75 4.36 4.25 1m7lA12 GLN 20 HB2 0.04 -0.04 0.07 -0.04 2.15 2.18 1m7lA12 GLN 20 HB3 0.05 0.11 0.09 -0.04 2.02 2.23 1m7lA12 GLN 20 HG2 0.10 0.26 0.23 -0.04 2.40 2.95 1m7lA12 GLN 20 HG3 0.09 -0.04 -0.15 -0.04 2.39 2.25 1m7lA12 GLN 20 HE21 0.02 -0.02 0.02 -0.04 6.97 6.95 1m7lA12 GLN 20 HE22 0.04 0.05 0.08 -0.04 7.69 7.82 1m7lA12 HIS 21 H 0.18 0.48 -0.16 -0.55 8.41 8.36 1m7lA12 HIS 21 HA 0.01 0.08 0.65 -0.75 4.63 4.61 1m7lA12 HIS 21 HB2 0.00 -0.05 0.15 -0.04 3.26 3.33 1m7lA12 HIS 21 HB3 0.01 0.11 0.17 -0.04 3.20 3.44 1m7lA12 HIS 21 HD2 -0.00 -0.05 -0.03 -0.04 6.97 6.85 1m7lA12 HIS 21 HE1 -0.00 -0.09 0.07 -0.04 7.75 7.69 1m7lA12 LEU 22 H -0.20 0.23 -0.59 -0.55 8.37 7.26 1m7lA12 LEU 22 HA -0.34 0.07 0.58 -0.75 4.35 3.90 1m7lA12 LEU 22 HB2 -0.10 0.11 0.23 -0.04 1.64 1.85 1m7lA12 LEU 22 HB3 -0.09 -0.04 0.01 -0.04 1.64 1.49 1m7lA12 LEU 22 HG -0.14 -0.00 -0.06 -0.04 1.64 1.40 1m7lA12 LEU 22 HD13 -0.12 -0.02 0.01 -0.04 0.93 0.76 1m7lA12 LEU 22 HD23 -0.54 -0.02 -0.03 -0.04 0.89 0.26 1m7lA12 GLN 23 H 0.02 0.40 -0.20 -0.55 8.47 8.13 1m7lA12 GLN 23 HA 0.34 0.04 0.46 -0.75 4.36 4.44 1m7lA12 GLN 23 HB2 0.06 0.15 0.15 -0.04 2.15 2.47 1m7lA12 GLN 23 HB3 0.08 -0.03 0.06 -0.04 2.02 2.09 1m7lA12 GLN 23 HG2 0.12 -0.06 0.05 -0.04 2.40 2.46 1m7lA12 GLN 23 HG3 0.07 0.41 0.21 -0.04 2.39 3.04 1m7lA12 GLN 23 HE21 0.04 0.10 -0.16 -0.04 6.97 6.91 1m7lA12 GLN 23 HE22 0.03 -0.05 -0.03 -0.04 7.69 7.60 1m7lA12 ALA 24 H 0.03 0.22 -0.45 -0.55 8.40 7.65 1m7lA12 ALA 24 HA 0.03 0.05 0.39 -0.75 4.34 4.05 1m7lA12 ALA 24 HB3 0.05 0.05 0.13 -0.04 1.41 1.60 1m7lA12 ALA 25 H -0.03 0.40 -0.37 -0.55 8.40 7.86 1m7lA12 ALA 25 HA -0.04 0.02 0.43 -0.75 4.34 4.00 1m7lA12 ALA 25 HB3 0.01 0.05 0.16 -0.04 1.41 1.60 1m7lA12 PHE 26 H 0.04 0.56 -0.17 -0.55 8.34 8.21 1m7lA12 PHE 26 HA 0.22 -0.07 0.33 -0.75 4.62 4.36 1m7lA12 PHE 26 HB2 0.02 0.11 0.18 -0.04 3.15 3.42 1m7lA12 PHE 26 HB3 0.03 -0.03 -0.02 -0.04 3.06 2.99 1m7lA12 PHE 26 HD2 0.07 -0.05 -0.07 -0.04 7.28 7.19 1m7lA12 PHE 26 HE2 0.00 -0.02 -0.04 -0.04 7.38 7.29 1m7lA12 PHE 26 HZ -0.01 -0.02 -0.02 -0.04 7.32 7.23 1m7lA12 SER 27 H 0.06 0.36 -0.74 -0.55 8.46 7.59 1m7lA12 SER 27 HA 0.02 -0.01 0.34 -0.75 4.49 4.09 1m7lA12 SER 27 HB2 0.01 -0.01 0.16 -0.04 3.95 4.07 1m7lA12 SER 27 HB3 -0.04 0.18 0.13 -0.04 3.93 4.16 1m7lA12 GLN 28 H -0.24 0.49 -0.33 -0.55 8.47 7.84 1m7lA12 GLN 28 HA -0.12 0.13 0.69 -0.75 4.36 4.30 1m7lA12 GLN 28 HB2 -0.92 0.04 0.17 -0.04 2.15 1.40 1m7lA12 GLN 28 HB3 -0.30 -0.03 -0.00 -0.04 2.02 1.65 1m7lA12 GLN 28 HG2 -0.14 -0.01 -0.00 -0.04 2.40 2.20 1m7lA12 GLN 28 HG3 -0.21 0.06 0.04 -0.04 2.39 2.23 1m7lA12 GLN 28 HE21 -0.08 -0.00 0.00 -0.04 6.97 6.85 1m7lA12 GLN 28 HE22 -0.06 -0.03 0.01 -0.04 7.69 7.57 1m7lA12 TYR 29 H -0.66 0.30 0.08 -0.55 8.29 7.46 1m7lA12 TYR 29 HA 0.04 0.04 0.37 -0.75 4.56 4.26 1m7lA12 TYR 29 HB2 0.20 0.03 0.03 -0.04 3.06 3.27 1m7lA12 TYR 29 HB3 0.08 -0.02 0.09 -0.04 2.98 3.09 1m7lA12 TYR 29 HD2 -0.08 -0.03 -0.20 -0.04 7.15 6.80 1m7lA12 TYR 29 HE2 -0.07 -0.05 -0.03 -0.04 6.85 6.66 1m7lA12 LYS 30 H 0.11 0.65 -0.41 -0.55 8.42 8.21 1m7lA12 LYS 30 HA 0.06 0.02 0.49 -0.75 4.32 4.13 1m7lA12 LYS 30 HB2 -0.03 -0.07 0.05 -0.04 1.87 1.78 1m7lA12 LYS 30 HB3 0.06 0.05 0.03 -0.04 1.79 1.89 1m7lA12 LYS 30 HG2 0.01 0.20 -0.06 -0.04 1.46 1.57 1m7lA12 LYS 30 HG3 -0.02 -0.04 -0.22 -0.04 1.46 1.15 1m7lA12 LYS 30 HD2 0.02 -0.04 -0.13 -0.04 1.69 1.50 1m7lA12 LYS 30 HD3 -0.00 0.01 0.01 -0.04 1.68 1.65 1m7lA12 LYS 30 HE2 -0.03 -0.01 -0.06 -0.04 2.99 2.86 1m7lA12 LYS 30 HE3 -0.04 -0.02 -0.04 -0.04 2.99 2.85 1m7lA12 LYS 31 H -0.00 0.39 -0.36 -0.55 8.42 7.90 1m7lA12 LYS 31 HA -0.13 0.20 0.76 -0.75 4.32 4.39 1m7lA12 LYS 31 HB2 -0.06 -0.06 0.17 -0.04 1.87 1.89 1m7lA12 LYS 31 HB3 -0.05 -0.02 0.02 -0.04 1.79 1.70 1m7lA12 LYS 31 HG2 -0.01 -0.05 0.08 -0.04 1.46 1.44 1m7lA12 LYS 31 HG3 -0.02 0.15 0.12 -0.04 1.46 1.66 1m7lA12 LYS 31 HD2 0.01 0.07 -0.20 -0.04 1.69 1.53 1m7lA12 LYS 31 HD3 0.04 -0.10 0.04 -0.04 1.68 1.63 1m7lA12 LYS 31 HE2 -0.04 0.06 0.20 -0.04 2.99 3.16 1m7lA12 LYS 31 HE3 0.01 -0.10 0.02 -0.04 2.99 2.88 1m7lA12 VAL 32 H -0.01 0.29 -0.78 -0.55 8.24 7.18 1m7lA12 VAL 32 HA 0.02 0.13 0.74 -0.75 4.13 4.26 1m7lA12 VAL 32 HB 0.10 0.35 0.21 -0.04 2.12 2.73 1m7lA12 VAL 32 HG13 0.08 -0.03 -0.09 -0.04 0.97 0.89 1m7lA12 VAL 32 HG23 0.15 0.03 -0.03 -0.04 0.95 1.06 1m7lA12 GLU 33 H -0.04 0.27 -0.03 -0.55 8.60 8.25 1m7lA12 GLU 33 HA -0.06 0.09 1.04 -0.75 4.29 4.60 1m7lA12 GLU 33 HB2 -0.00 -0.03 -0.00 -0.04 2.09 2.02 1m7lA12 GLU 33 HB3 -0.03 0.04 0.15 -0.04 1.99 2.11 1m7lA12 GLU 33 HG2 -0.02 0.08 -0.19 -0.04 2.34 2.16 1m7lA12 GLU 33 HG3 0.00 -0.06 -0.06 -0.04 2.34 2.19 1m7lA12 LEU 34 H -0.18 0.02 0.10 -0.55 8.37 7.76 1m7lA12 LEU 34 HA -0.10 0.09 0.38 -0.75 4.35 3.97 1m7lA12 LEU 34 HB2 -0.17 -0.03 0.05 -0.04 1.64 1.45 1m7lA12 LEU 34 HB3 -0.19 0.24 -0.01 -0.04 1.64 1.63 1m7lA12 LEU 34 HG -0.69 -0.01 -0.17 -0.04 1.64 0.73 1m7lA12 LEU 34 HD13 -0.27 0.03 -0.08 -0.04 0.93 0.57 1m7lA12 LEU 34 HD23 -1.35 -0.01 -0.45 -0.04 0.89 -0.96 1m7lA12 PHE 35 H -0.43 0.03 0.12 -0.55 8.34 7.51 1m7lA12 PHE 35 HA 0.01 0.08 0.52 -0.75 4.62 4.47 1m7lA12 PHE 35 HB2 0.01 0.02 0.18 -0.04 3.15 3.32 1m7lA12 PHE 35 HB3 0.01 -0.03 0.07 -0.04 3.06 3.07 1m7lA12 PHE 35 HD2 0.01 0.02 0.03 -0.04 7.28 7.30 1m7lA12 PHE 35 HE2 0.01 0.01 0.02 -0.04 7.38 7.38 1m7lA12 PHE 35 HZ 0.01 -0.00 0.03 -0.04 7.32 7.31 1m7lA12 PRO 36 HA 0.07 0.14 0.49 -0.51 4.44 4.63 1m7lA12 PRO 36 HB2 0.04 -0.18 0.13 -0.04 2.28 2.23 1m7lA12 PRO 36 HB3 0.07 0.08 0.11 -0.04 2.02 2.24 1m7lA12 PRO 36 HG2 0.04 0.01 -0.02 -0.04 2.03 2.01 1m7lA12 PRO 36 HG3 0.08 0.11 0.10 -0.04 2.03 2.28 1m7lA12 PRO 36 HD2 0.01 -0.34 0.19 -0.04 3.68 3.50 1m7lA12 PRO 36 HD3 0.23 0.19 0.24 -0.04 3.65 4.27 1m7lA12 ASN 37 H 0.03 0.10 0.08 -0.55 8.53 8.19 1m7lA12 ASN 37 HA 0.01 0.27 0.75 -0.75 4.76 5.04 1m7lA12 ASN 37 HB2 0.01 -0.02 0.14 -0.04 2.88 2.97 1m7lA12 ASN 37 HB3 0.02 0.14 -0.12 -0.04 2.79 2.78 1m7lA12 ASN 37 HD21 0.02 0.10 -0.09 -0.04 7.03 7.02 1m7lA12 ASN 37 HD22 0.02 0.00 -0.06 -0.04 7.74 7.66 1m7lA12 GLY 38 H 0.02 0.07 0.01 -0.55 8.43 7.98 1m7lA12 GLY 38 HA2 0.01 0.07 0.33 -0.51 4.01 3.91 1m7lA12 GLY 38 HA3 0.01 0.13 0.87 -0.51 4.01 4.51 1m7lA12 GLY 39 H 0.01 0.17 0.12 -0.55 8.43 8.18 1m7lA12 GLY 39 HA2 0.01 0.05 0.24 -0.51 4.01 3.80 1m7lA12 GLY 39 HA3 0.01 0.25 0.93 -0.51 4.01 4.69 1m7lA12 ILE 40 H 0.01 -0.05 0.04 -0.55 8.25 7.70 1m7lA12 ILE 40 HA 0.00 0.29 0.76 -0.75 4.18 4.48 1m7lA12 ILE 40 HB 0.00 0.00 0.05 -0.04 1.89 1.91 1m7lA12 ILE 40 HG12 0.01 -0.08 -0.33 -0.04 1.49 1.04 1m7lA12 ILE 40 HG13 0.00 0.02 -0.08 -0.04 1.21 1.11 1m7lA12 ILE 40 HG23 0.00 0.01 0.03 -0.04 0.93 0.93 1m7lA12 ILE 40 HD13 0.00 0.06 -0.13 -0.04 0.88 0.77