============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. PHE 27 1.000 -8.529 -5.730 -0.508 -99.200 -91.000 PHE 29 1.000 -3.897 -5.168 -4.250 -99.200 -91.000 TYR 32 0.840 -12.676 -3.583 -1.102 -99.200 -91.000 HIS 33 0.900 -10.053 3.449 -1.486 -99.200 -91.000 TRP 36 1.040 3.526 -1.561 -1.571 -99.200 -91.000 TRP6 36 1.020 4.631 -3.372 -0.547 -99.200 -91.000 TRP 47 1.040 0.539 6.748 2.695 -99.200 -91.000 TRP6 47 1.020 0.720 9.093 2.870 -99.200 -91.000 TYR 59 0.840 -3.879 10.651 -3.270 -99.200 -91.000 TYR 60 0.840 4.541 8.355 -3.874 -99.200 -91.000 PHE 68 1.000 11.175 4.073 -0.990 -99.200 -91.000 TYR 80 0.840 3.637 -6.860 -8.195 -99.200 -91.000 TYR 94 0.840 10.328 -0.128 2.605 -99.200 -91.000 TYR 95 0.840 5.654 -3.809 8.185 -99.200 -91.000 TYR 99 0.840 -4.304 5.093 3.312 -99.200 -91.000 TRP 107 1.040 -4.524 -5.220 7.934 -99.200 -91.000 TRP6 107 1.020 -5.713 -4.573 6.005 -99.200 -91.000 HIS 131 0.900 30.077 -20.816 -25.852 -99.200 -91.000 HIS 132 0.900 23.992 -20.660 -30.320 -99.200 -91.000 HIS 133 0.900 24.427 -29.910 -27.423 -99.200 -91.000 HIS 134 0.900 25.525 -30.798 -32.482 -99.200 -91.000 HIS 135 0.900 24.810 -27.916 -36.803 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1iehA7 ASP 1 HA -0.15 -0.03 0.20 -0.75 4.63 3.90 1iehA7 ASP 1 HB2 -0.34 -0.07 0.13 -0.04 2.71 2.39 1iehA7 ASP 1 HB3 -0.20 -0.01 -0.01 -0.04 2.70 2.44 1iehA7 VAL 2 H -0.60 0.13 0.13 -0.55 8.24 7.35 1iehA7 VAL 2 HA -0.20 0.23 1.01 -0.75 4.13 4.42 1iehA7 VAL 2 HB -0.08 0.07 0.14 -0.04 2.12 2.21 1iehA7 VAL 2 HG13 -0.15 -0.04 -0.17 -0.04 0.97 0.57 1iehA7 VAL 2 HG23 -0.24 -0.02 -0.17 -0.04 0.95 0.47 1iehA7 GLN 3 H -0.11 0.32 0.27 -0.55 8.47 8.40 1iehA7 GLN 3 HA 0.03 0.10 0.96 -0.75 4.36 4.69 1iehA7 GLN 3 HB2 -0.08 0.01 -0.09 -0.04 2.15 1.95 1iehA7 GLN 3 HB3 -0.02 -0.01 0.09 -0.04 2.02 2.04 1iehA7 GLN 3 HG2 0.14 0.12 0.28 -0.04 2.40 2.89 1iehA7 GLN 3 HG3 0.04 -0.04 0.09 -0.04 2.39 2.45 1iehA7 GLN 3 HE21 0.10 0.48 0.28 -0.04 6.97 7.79 1iehA7 GLN 3 HE22 0.05 -0.17 0.05 -0.04 7.69 7.58 1iehA7 LEU 4 H 0.27 0.20 0.02 -0.55 8.37 8.32 1iehA7 LEU 4 HA 0.06 0.22 1.01 -0.75 4.35 4.88 1iehA7 LEU 4 HB2 0.07 -0.01 -0.09 -0.04 1.64 1.57 1iehA7 LEU 4 HB3 0.07 -0.05 0.06 -0.04 1.64 1.68 1iehA7 LEU 4 HG 0.55 -0.02 -0.10 -0.04 1.64 2.02 1iehA7 LEU 4 HD13 0.08 0.04 -0.11 -0.04 0.93 0.89 1iehA7 LEU 4 HD23 0.27 -0.02 -0.30 -0.04 0.89 0.80 1iehA7 GLN 5 H 0.04 0.36 0.09 -0.55 8.47 8.41 1iehA7 GLN 5 HA 0.06 -0.48 0.96 -0.75 4.36 4.15 1iehA7 GLN 5 HB2 0.04 0.13 -0.00 -0.04 2.15 2.28 1iehA7 GLN 5 HB3 0.03 0.14 0.11 -0.04 2.02 2.26 1iehA7 GLN 5 HG2 0.04 0.11 0.01 -0.04 2.40 2.52 1iehA7 GLN 5 HG3 0.04 0.00 0.13 -0.04 2.39 2.52 1iehA7 GLN 5 HE21 0.02 0.02 0.01 -0.04 6.97 6.98 1iehA7 GLN 5 HE22 0.02 -0.01 -0.00 -0.04 7.69 7.65 1iehA7 ALA 6 H 0.06 0.12 0.36 -0.55 8.40 8.39 1iehA7 ALA 6 HA 0.08 0.09 1.23 -0.75 4.34 4.99 1iehA7 ALA 6 HB3 0.16 0.04 0.12 -0.04 1.41 1.68 1iehA7 SER 7 H 0.13 0.73 0.47 -0.55 8.46 9.24 1iehA7 SER 7 HA 0.04 -0.01 0.48 -0.75 4.49 4.24 1iehA7 SER 7 HB2 0.03 0.24 -0.04 -0.04 3.95 4.14 1iehA7 SER 7 HB3 0.02 0.00 -0.10 -0.04 3.93 3.82 1iehA7 GLY 8 H 0.00 0.11 0.26 -0.55 8.43 8.25 1iehA7 GLY 8 HA2 -0.02 0.07 0.35 -0.51 4.01 3.91 1iehA7 GLY 8 HA3 -0.04 0.19 1.05 -0.51 4.01 4.71 1iehA7 GLY 9 H -0.02 -0.15 0.15 -0.55 8.43 7.86 1iehA7 GLY 9 HA2 -0.08 0.02 0.32 -0.51 4.01 3.76 1iehA7 GLY 9 HA3 -0.03 0.12 0.12 -0.51 4.01 3.71 1iehA7 GLY 10 H -0.06 0.12 0.29 -0.55 8.43 8.23 1iehA7 GLY 10 HA2 -0.03 0.17 0.75 -0.51 4.01 4.39 1iehA7 GLY 10 HA3 -0.04 0.05 0.31 -0.51 4.01 3.81 1iehA7 LEU 11 H -0.02 0.18 0.14 -0.55 8.37 8.12 1iehA7 LEU 11 HA -0.01 0.29 0.98 -0.75 4.35 4.85 1iehA7 LEU 11 HB2 -0.01 -0.01 0.16 -0.04 1.64 1.74 1iehA7 LEU 11 HB3 -0.01 0.00 0.01 -0.04 1.64 1.61 1iehA7 LEU 11 HG -0.00 -0.00 -0.10 -0.04 1.64 1.50 1iehA7 LEU 11 HD13 -0.00 0.01 -0.10 -0.04 0.93 0.80 1iehA7 LEU 11 HD23 0.00 -0.01 -0.07 -0.04 0.89 0.77 1iehA7 VAL 12 H -0.02 0.53 0.26 -0.55 8.24 8.46 1iehA7 VAL 12 HA -0.02 0.20 0.90 -0.75 4.13 4.46 1iehA7 VAL 12 HB -0.02 -0.14 0.15 -0.04 2.12 2.07 1iehA7 VAL 12 HG13 -0.05 0.04 -0.28 -0.04 0.97 0.64 1iehA7 VAL 12 HG23 -0.02 0.01 -0.19 -0.04 0.95 0.71 1iehA7 GLN 13 H -0.01 0.05 0.18 -0.55 8.47 8.14 1iehA7 GLN 13 HA 0.00 0.42 0.85 -0.75 4.36 4.88 1iehA7 GLN 13 HB2 -0.00 -0.05 -0.13 -0.04 2.15 1.92 1iehA7 GLN 13 HB3 -0.00 0.09 0.06 -0.04 2.02 2.13 1iehA7 GLN 13 HG2 -0.00 0.10 -0.11 -0.04 2.40 2.35 1iehA7 GLN 13 HG3 -0.01 -0.13 -0.24 -0.04 2.39 1.97 1iehA7 GLN 13 HE21 -0.01 0.02 -0.01 -0.04 6.97 6.93 1iehA7 GLN 13 HE22 -0.01 0.01 0.01 -0.04 7.69 7.66 1iehA7 PRO 14 HA 0.01 -0.07 0.09 -0.51 4.44 3.97 1iehA7 PRO 14 HB2 0.00 0.04 0.18 -0.04 2.28 2.47 1iehA7 PRO 14 HB3 0.01 0.08 0.02 -0.04 2.02 2.09 1iehA7 PRO 14 HG2 0.01 0.05 0.03 -0.04 2.03 2.07 1iehA7 PRO 14 HG3 0.01 0.07 -0.05 -0.04 2.03 2.02 1iehA7 PRO 14 HD2 0.00 0.13 0.04 -0.04 3.68 3.81 1iehA7 PRO 14 HD3 0.01 0.17 -0.06 -0.04 3.65 3.72 1iehA7 GLY 15 H 0.01 0.18 0.36 -0.55 8.43 8.43 1iehA7 GLY 15 HA2 0.00 0.01 0.36 -0.51 4.01 3.88 1iehA7 GLY 15 HA3 -0.00 0.16 0.64 -0.51 4.01 4.30 1iehA7 GLY 16 H -0.00 0.48 0.13 -0.55 8.43 8.49 1iehA7 GLY 16 HA2 -0.01 0.13 0.46 -0.51 4.01 4.08 1iehA7 GLY 16 HA3 -0.01 -0.11 0.46 -0.51 4.01 3.84 1iehA7 SER 17 H -0.03 0.14 0.14 -0.55 8.46 8.17 1iehA7 SER 17 HA -0.04 0.24 0.51 -0.75 4.49 4.45 1iehA7 SER 17 HB2 -0.05 0.01 -0.06 -0.04 3.95 3.81 1iehA7 SER 17 HB3 -0.03 0.19 -0.25 -0.04 3.93 3.80 1iehA7 LEU 18 H -0.12 0.53 0.19 -0.55 8.37 8.42 1iehA7 LEU 18 HA -0.10 0.19 0.96 -0.75 4.35 4.64 1iehA7 LEU 18 HB2 -0.11 0.00 -0.04 -0.04 1.64 1.45 1iehA7 LEU 18 HB3 -0.19 0.02 0.09 -0.04 1.64 1.51 1iehA7 LEU 18 HG -0.19 0.07 -0.26 -0.04 1.64 1.21 1iehA7 LEU 18 HD13 -0.11 0.03 0.05 -0.04 0.93 0.85 1iehA7 LEU 18 HD23 -0.37 -0.02 -0.13 -0.04 0.89 0.33 1iehA7 ARG 19 H -0.12 0.23 0.12 -0.55 8.46 8.14 1iehA7 ARG 19 HA -0.20 0.25 1.14 -0.75 4.34 4.77 1iehA7 ARG 19 HB2 -0.09 -0.02 -0.10 -0.04 1.90 1.66 1iehA7 ARG 19 HB3 -0.07 -0.01 0.15 -0.04 1.80 1.83 1iehA7 ARG 19 HG2 -0.04 0.17 -0.21 -0.04 1.67 1.55 1iehA7 ARG 19 HG3 -0.05 -0.03 -0.11 -0.04 1.67 1.43 1iehA7 ARG 19 HD2 0.02 -0.01 -0.09 -0.04 3.22 3.10 1iehA7 ARG 19 HD3 0.02 -0.02 -0.11 -0.04 3.22 3.06 1iehA7 VAL 20 H -0.37 0.43 0.27 -0.55 8.24 8.02 1iehA7 VAL 20 HA -0.15 0.25 1.00 -0.75 4.13 4.48 1iehA7 VAL 20 HB -0.44 -0.04 -0.04 -0.04 2.12 1.56 1iehA7 VAL 20 HG13 -0.77 0.01 -0.16 -0.04 0.97 0.00 1iehA7 VAL 20 HG23 -0.10 0.06 -0.26 -0.04 0.95 0.61 1iehA7 SER 21 H -0.04 0.50 0.42 -0.55 8.46 8.78 1iehA7 SER 21 HA -0.12 0.40 1.02 -0.75 4.49 5.03 1iehA7 SER 21 HB2 -0.41 -0.08 0.04 -0.04 3.95 3.45 1iehA7 SER 21 HB3 -0.35 0.04 -0.06 -0.04 3.93 3.52 1iehA7 CYS 22 H -0.09 0.20 0.29 -0.55 8.50 8.35 1iehA7 CYS 22 HA 0.08 0.13 1.09 -0.75 4.58 5.12 1iehA7 CYS 22 HB2 -0.11 0.05 -0.09 -0.04 2.97 2.77 1iehA7 CYS 22 HB3 -0.05 -0.08 0.15 -0.04 2.97 2.94 1iehA7 ALA 23 H 0.00 0.33 0.31 -0.55 8.40 8.50 1iehA7 ALA 23 HA -0.05 0.22 1.01 -0.75 4.34 4.77 1iehA7 ALA 23 HB3 -0.01 0.01 0.17 -0.04 1.41 1.54 1iehA7 ALA 24 H 0.05 0.27 0.18 -0.55 8.40 8.36 1iehA7 ALA 24 HA 0.02 -0.03 0.75 -0.75 4.34 4.32 1iehA7 ALA 24 HB3 0.02 -0.02 -0.02 -0.04 1.41 1.35 1iehA7 SER 25 H -0.06 0.23 0.18 -0.55 8.46 8.27 1iehA7 SER 25 HA -0.07 0.09 0.72 -0.75 4.49 4.49 1iehA7 SER 25 HB2 -0.02 0.08 -0.15 -0.04 3.95 3.82 1iehA7 SER 25 HB3 -0.03 0.08 0.15 -0.04 3.93 4.10 1iehA7 GLY 26 H -0.08 0.21 0.03 -0.55 8.43 8.05 1iehA7 GLY 26 HA2 -0.03 0.04 0.39 -0.51 4.01 3.90 1iehA7 GLY 26 HA3 -0.05 0.15 0.88 -0.51 4.01 4.48 1iehA7 PHE 27 H -0.29 0.12 -0.09 -0.55 8.34 7.53 1iehA7 PHE 27 HA -0.09 0.24 0.87 -0.75 4.62 4.89 1iehA7 PHE 27 HB2 -0.66 -0.09 0.06 -0.04 3.15 2.42 1iehA7 PHE 27 HB3 -0.41 0.05 -0.06 -0.04 3.06 2.60 1iehA7 PHE 27 HD2 -0.21 -0.12 -0.34 -0.04 7.28 6.57 1iehA7 PHE 27 HE2 -0.11 -0.05 -0.21 -0.04 7.38 6.97 1iehA7 PHE 27 HZ -0.28 -0.01 -0.12 -0.04 7.32 6.87 1iehA7 THR 28 H 0.35 0.11 0.04 -0.55 8.28 8.22 1iehA7 THR 28 HA 0.15 0.17 0.42 -0.75 4.39 4.37 1iehA7 THR 28 HB 0.36 -0.27 0.22 -0.04 4.32 4.59 1iehA7 THR 28 HG23 0.18 0.04 0.04 -0.04 1.22 1.44 1iehA7 PHE 29 H 0.39 -0.06 0.08 -0.55 8.34 8.21 1iehA7 PHE 29 HA 0.48 0.17 0.35 -0.75 4.62 4.87 1iehA7 PHE 29 HB2 0.09 -0.12 -0.36 -0.04 3.15 2.72 1iehA7 PHE 29 HB3 0.13 0.13 0.01 -0.04 3.06 3.28 1iehA7 PHE 29 HD2 0.00 0.19 -0.01 -0.04 7.28 7.42 1iehA7 PHE 29 HE2 -0.01 -0.01 -0.18 -0.04 7.38 7.14 1iehA7 PHE 29 HZ -0.03 -0.02 -0.29 -0.04 7.32 6.94 1iehA7 SER 30 H 0.30 0.13 0.17 -0.55 8.46 8.52 1iehA7 SER 30 HA 0.16 0.07 0.54 -0.75 4.49 4.51 1iehA7 SER 30 HB2 0.13 0.05 0.20 -0.04 3.95 4.29 1iehA7 SER 30 HB3 0.14 -0.01 0.19 -0.04 3.93 4.21 1iehA7 SER 31 H 0.24 -0.28 -0.27 -0.55 8.46 7.60 1iehA7 SER 31 HA 0.01 0.20 0.58 -0.75 4.49 4.53 1iehA7 SER 31 HB2 0.10 0.06 0.07 -0.04 3.95 4.14 1iehA7 SER 31 HB3 0.31 -0.23 0.08 -0.04 3.93 4.05 1iehA7 TYR 32 H 0.28 -0.08 -0.37 -0.55 8.29 7.58 1iehA7 TYR 32 HA -0.09 0.24 0.83 -0.75 4.56 4.79 1iehA7 TYR 32 HB2 -0.37 -0.05 -0.08 -0.04 3.06 2.52 1iehA7 TYR 32 HB3 -0.38 -0.05 0.16 -0.04 2.98 2.68 1iehA7 TYR 32 HD2 -0.14 -0.10 -0.10 -0.04 7.15 6.77 1iehA7 TYR 32 HE2 -0.05 0.00 -0.04 -0.04 6.85 6.73 1iehA7 HIS 33 H 0.26 0.14 0.16 -0.55 8.41 8.43 1iehA7 HIS 33 HA 0.05 0.28 0.94 -0.75 4.63 5.15 1iehA7 HIS 33 HB2 0.08 -0.05 0.04 -0.04 3.26 3.29 1iehA7 HIS 33 HB3 0.03 0.07 0.08 -0.04 3.20 3.34 1iehA7 HIS 33 HD2 0.01 0.01 -0.02 -0.04 6.97 6.93 1iehA7 HIS 33 HE1 -0.07 0.03 -0.03 -0.04 7.75 7.64 1iehA7 MET 34 H 0.10 0.42 0.27 -0.55 8.47 8.72 1iehA7 MET 34 HA 0.02 0.19 0.93 -0.75 4.52 4.91 1iehA7 MET 34 HB2 0.04 0.02 -0.13 -0.04 2.15 2.04 1iehA7 MET 34 HB3 0.06 -0.01 -0.06 -0.04 2.03 1.98 1iehA7 MET 34 HG2 -0.17 0.16 -0.17 -0.04 2.63 2.41 1iehA7 MET 34 HG3 -1.20 -0.03 -0.18 -0.04 2.56 1.10 1iehA7 MET 34 HE3 -0.18 -0.01 -0.20 -0.04 2.10 1.67 1iehA7 ALA 35 H -0.04 0.42 0.35 -0.55 8.40 8.58 1iehA7 ALA 35 HA 0.18 0.06 0.68 -0.75 4.34 4.51 1iehA7 ALA 35 HB3 0.29 0.08 -0.05 -0.04 1.41 1.69 1iehA7 TRP 36 H 0.34 0.57 0.30 -0.55 7.97 8.64 1iehA7 TRP 36 HA 0.12 0.19 1.14 -0.75 4.62 5.31 1iehA7 TRP 36 HB2 0.07 -0.06 0.11 -0.04 3.23 3.31 1iehA7 TRP 36 HB3 0.11 0.04 -0.04 -0.04 3.23 3.30 1iehA7 TRP 36 HD1 0.09 -0.04 -0.23 -0.04 7.22 7.00 1iehA7 TRP 36 HE1 0.05 -0.18 -0.49 -0.04 10.20 9.54 1iehA7 TRP 36 HE3 0.13 0.14 -0.13 -0.04 7.59 7.69 1iehA7 TRP 36 HZ2 -0.09 0.25 -0.21 -0.04 7.44 7.34 1iehA7 TRP 36 HZ3 0.02 0.04 -0.39 -0.04 7.13 6.77 1iehA7 TRP 36 HH2 -0.05 0.14 -0.28 -0.04 7.19 6.95 1iehA7 VAL 37 H 0.21 0.48 0.26 -0.55 8.24 8.65 1iehA7 VAL 37 HA 0.20 0.33 0.81 -0.75 4.13 4.71 1iehA7 VAL 37 HB 0.14 -0.07 -0.15 -0.04 2.12 1.99 1iehA7 VAL 37 HG13 0.15 -0.01 -0.26 -0.04 0.97 0.81 1iehA7 VAL 37 HG23 0.18 -0.05 -0.17 -0.04 0.95 0.86 1iehA7 ARG 38 H 0.08 0.52 0.33 -0.55 8.46 8.84 1iehA7 ARG 38 HA -0.29 0.28 0.94 -0.75 4.34 4.52 1iehA7 ARG 38 HB2 -0.75 0.05 -0.18 -0.04 1.90 0.98 1iehA7 ARG 38 HB3 -0.09 -0.04 -0.01 -0.04 1.80 1.61 1iehA7 ARG 38 HG2 -0.30 -0.06 -0.35 -0.04 1.67 0.92 1iehA7 ARG 38 HG3 -1.15 0.07 -0.21 -0.04 1.67 0.33 1iehA7 ARG 38 HD2 -0.02 0.31 -0.14 -0.04 3.22 3.33 1iehA7 ARG 38 HD3 0.11 -0.05 -0.15 -0.04 3.22 3.09 1iehA7 GLN 39 H -0.16 0.66 0.21 -0.55 8.47 8.63 1iehA7 GLN 39 HA 0.02 -0.04 0.97 -0.75 4.36 4.56 1iehA7 GLN 39 HB2 0.31 -0.00 -0.13 -0.04 2.15 2.29 1iehA7 GLN 39 HB3 0.21 0.03 0.17 -0.04 2.02 2.39 1iehA7 GLN 39 HG2 0.06 0.07 -0.04 -0.04 2.40 2.46 1iehA7 GLN 39 HG3 0.04 -0.30 0.20 -0.04 2.39 2.29 1iehA7 GLN 39 HE21 0.01 -0.08 -0.07 -0.04 6.97 6.80 1iehA7 GLN 39 HE22 -0.03 0.08 -0.08 -0.04 7.69 7.62 1iehA7 ALA 40 H -0.01 0.06 0.06 -0.55 8.40 7.97 1iehA7 ALA 40 HA -0.00 0.19 0.58 -0.75 4.34 4.36 1iehA7 ALA 40 HB3 0.01 0.05 -0.03 -0.04 1.41 1.39 1iehA7 PRO 41 HA 0.02 -0.01 0.36 -0.51 4.44 4.31 1iehA7 PRO 41 HB2 0.02 0.04 0.16 -0.04 2.28 2.46 1iehA7 PRO 41 HB3 0.02 0.01 0.13 -0.04 2.02 2.13 1iehA7 PRO 41 HG2 0.02 0.04 0.13 -0.04 2.03 2.17 1iehA7 PRO 41 HG3 0.02 0.04 0.11 -0.04 2.03 2.16 1iehA7 PRO 41 HD2 0.02 0.17 0.27 -0.04 3.68 4.09 1iehA7 PRO 41 HD3 0.02 0.11 0.26 -0.04 3.65 4.00 1iehA7 GLY 42 H 0.02 0.11 0.30 -0.55 8.43 8.32 1iehA7 GLY 42 HA2 0.01 -0.03 0.35 -0.51 4.01 3.84 1iehA7 GLY 42 HA3 0.01 0.15 0.69 -0.51 4.01 4.35 1iehA7 LYS 43 H 0.02 0.02 0.04 -0.55 8.42 7.94 1iehA7 LYS 43 HA 0.01 0.23 0.75 -0.75 4.32 4.55 1iehA7 LYS 43 HB2 0.01 -0.10 0.15 -0.04 1.87 1.89 1iehA7 LYS 43 HB3 0.01 0.04 0.11 -0.04 1.79 1.90 1iehA7 LYS 43 HG2 0.01 0.30 -0.65 -0.04 1.46 1.08 1iehA7 LYS 43 HG3 0.01 -0.12 -0.16 -0.04 1.46 1.14 1iehA7 LYS 43 HD2 0.01 -0.06 -0.04 -0.04 1.69 1.55 1iehA7 LYS 43 HD3 0.01 0.00 0.01 -0.04 1.68 1.66 1iehA7 LYS 43 HE2 0.01 0.21 0.03 -0.04 2.99 3.20 1iehA7 LYS 43 HE3 0.01 -0.03 -0.06 -0.04 2.99 2.86 1iehA7 GLY 44 H 0.01 -0.14 0.25 -0.55 8.43 8.01 1iehA7 GLY 44 HA2 0.00 0.04 0.35 -0.51 4.01 3.89 1iehA7 GLY 44 HA3 0.01 0.14 0.52 -0.51 4.01 4.17 1iehA7 LEU 45 H 0.02 -0.25 0.27 -0.55 8.37 7.87 1iehA7 LEU 45 HA 0.04 0.24 0.63 -0.75 4.35 4.50 1iehA7 LEU 45 HB2 -0.03 -0.05 -0.22 -0.04 1.64 1.30 1iehA7 LEU 45 HB3 -0.01 0.20 0.07 -0.04 1.64 1.86 1iehA7 LEU 45 HG 0.06 0.01 -0.11 -0.04 1.64 1.56 1iehA7 LEU 45 HD13 -0.26 0.01 -0.17 -0.04 0.93 0.46 1iehA7 LEU 45 HD23 0.02 -0.01 -0.22 -0.04 0.89 0.64 1iehA7 GLU 46 H 0.06 0.26 0.26 -0.55 8.60 8.63 1iehA7 GLU 46 HA 0.11 0.13 0.63 -0.75 4.29 4.40 1iehA7 GLU 46 HB2 0.03 0.19 -0.03 -0.04 2.09 2.24 1iehA7 GLU 46 HB3 0.01 0.02 0.03 -0.04 1.99 2.01 1iehA7 GLU 46 HG2 -0.08 -0.00 -0.03 -0.04 2.34 2.19 1iehA7 GLU 46 HG3 -0.03 -0.27 -0.06 -0.04 2.34 1.94 1iehA7 TRP 47 H 0.35 0.24 0.11 -0.55 7.97 8.12 1iehA7 TRP 47 HA 0.09 0.01 0.25 -0.75 4.62 4.22 1iehA7 TRP 47 HB2 0.20 -0.06 -0.03 -0.04 3.23 3.30 1iehA7 TRP 47 HB3 0.11 0.03 0.08 -0.04 3.23 3.42 1iehA7 TRP 47 HD1 0.09 0.06 -0.30 -0.04 7.22 7.03 1iehA7 TRP 47 HE1 -0.10 0.01 -0.68 -0.04 10.20 9.39 1iehA7 TRP 47 HE3 0.09 -0.02 -0.06 -0.04 7.59 7.56 1iehA7 TRP 47 HZ2 0.09 0.02 -0.70 -0.04 7.44 6.81 1iehA7 TRP 47 HZ3 0.07 0.03 -0.10 -0.04 7.13 7.09 1iehA7 TRP 47 HH2 0.09 0.14 -0.33 -0.04 7.19 7.05 1iehA7 VAL 48 H -0.26 -0.05 -0.57 -0.55 8.24 6.81 1iehA7 VAL 48 HA -0.38 -0.13 0.32 -0.75 4.13 3.18 1iehA7 VAL 48 HB 0.08 0.49 -0.04 -0.04 2.12 2.60 1iehA7 VAL 48 HG13 0.20 -0.01 -0.19 -0.04 0.97 0.94 1iehA7 VAL 48 HG23 0.09 -0.04 -0.09 -0.04 0.95 0.88 1iehA7 SER 49 H -0.18 0.83 0.64 -0.55 8.46 9.21 1iehA7 SER 49 HA -0.60 0.23 1.08 -0.75 4.49 4.45 1iehA7 SER 49 HB2 -0.65 0.02 0.02 -0.04 3.95 3.30 1iehA7 SER 49 HB3 -0.62 -0.02 -0.14 -0.04 3.93 3.11 1iehA7 THR 50 H 0.15 0.59 0.37 -0.55 8.28 8.83 1iehA7 THR 50 HA 0.18 0.14 1.04 -0.75 4.39 4.99 1iehA7 THR 50 HB 0.34 0.02 0.00 -0.04 4.32 4.64 1iehA7 THR 50 HG23 -0.11 0.00 -0.25 -0.04 1.22 0.83 1iehA7 ILE 51 H 0.08 0.54 0.31 -0.55 8.25 8.63 1iehA7 ILE 51 HA 0.04 0.24 1.07 -0.75 4.18 4.78 1iehA7 ILE 51 HB 0.12 0.01 -0.18 -0.04 1.89 1.80 1iehA7 ILE 51 HG12 0.10 0.02 -0.12 -0.04 1.49 1.45 1iehA7 ILE 51 HG13 0.06 0.01 0.09 -0.04 1.21 1.33 1iehA7 ILE 51 HG23 0.16 -0.02 -0.13 -0.04 0.93 0.91 1iehA7 ILE 51 HD13 0.11 0.01 -0.01 -0.04 0.88 0.95 1iehA7 ASN 52 H 0.03 0.40 0.19 -0.55 8.53 8.61 1iehA7 ASN 52 HA 0.11 0.15 0.66 -0.75 4.76 4.93 1iehA7 ASN 52 HB2 0.06 0.14 0.17 -0.04 2.88 3.22 1iehA7 ASN 52 HB3 0.05 -0.06 -0.00 -0.04 2.79 2.74 1iehA7 ASN 52 HD21 0.07 -0.05 0.01 -0.04 7.03 7.03 1iehA7 ASN 52 HD22 0.11 0.01 0.01 -0.04 7.74 7.84 1iehA7 PRO 53 HA -0.02 0.01 0.46 -0.51 4.44 4.38 1iehA7 PRO 53 HB2 -0.09 0.03 0.06 -0.04 2.28 2.24 1iehA7 PRO 53 HB3 -0.21 0.20 -0.08 -0.04 2.02 1.88 1iehA7 PRO 53 HG2 -0.11 -0.02 0.09 -0.04 2.03 1.95 1iehA7 PRO 53 HG3 -0.53 0.04 -0.02 -0.04 2.03 1.48 1iehA7 PRO 53 HD2 -0.04 0.02 0.22 -0.04 3.68 3.84 1iehA7 PRO 53 HD3 -0.47 0.13 0.15 -0.04 3.65 3.43 1iehA7 GLY 54 H 0.06 0.04 0.31 -0.55 8.43 8.30 1iehA7 GLY 54 HA2 0.05 -0.06 0.35 -0.51 4.01 3.85 1iehA7 GLY 54 HA3 0.03 0.18 0.73 -0.51 4.01 4.44 1iehA7 ASP 55 H 0.07 0.10 0.09 -0.55 8.40 8.11 1iehA7 ASP 55 HA 0.06 -0.02 0.33 -0.75 4.63 4.25 1iehA7 ASP 55 HB2 0.07 -0.09 -0.04 -0.04 2.71 2.61 1iehA7 ASP 55 HB3 0.04 0.17 0.09 -0.04 2.70 2.96 1iehA7 GLY 56 H 0.03 0.18 -0.16 -0.55 8.43 7.93 1iehA7 GLY 56 HA2 0.02 0.24 0.80 -0.51 4.01 4.55 1iehA7 GLY 56 HA3 0.02 -0.06 0.28 -0.51 4.01 3.74 1iehA7 SER 57 H -0.00 0.08 0.13 -0.55 8.46 8.12 1iehA7 SER 57 HA -0.08 0.15 0.61 -0.75 4.49 4.40 1iehA7 SER 57 HB2 -0.01 -0.03 0.11 -0.04 3.95 3.97 1iehA7 SER 57 HB3 -0.31 0.06 0.01 -0.04 3.93 3.65 1iehA7 THR 58 H -0.23 0.18 0.23 -0.55 8.28 7.91 1iehA7 THR 58 HA -0.26 0.27 1.08 -0.75 4.39 4.72 1iehA7 THR 58 HB 0.30 -0.06 -0.03 -0.04 4.32 4.49 1iehA7 THR 58 HG23 0.09 0.00 0.08 -0.04 1.22 1.35 1iehA7 TYR 59 H 0.01 0.59 0.30 -0.55 8.29 8.64 1iehA7 TYR 59 HA 0.30 0.14 0.97 -0.75 4.56 5.22 1iehA7 TYR 59 HB2 0.29 -0.04 0.01 -0.04 3.06 3.28 1iehA7 TYR 59 HB3 0.26 0.05 0.03 -0.04 2.98 3.28 1iehA7 TYR 59 HD2 0.05 0.01 -0.14 -0.04 7.15 7.03 1iehA7 TYR 59 HE2 0.03 0.01 -0.16 -0.04 6.85 6.68 1iehA7 TYR 60 H 0.49 0.19 0.20 -0.55 8.29 8.62 1iehA7 TYR 60 HA -0.21 0.41 1.12 -0.75 4.56 5.13 1iehA7 TYR 60 HB2 -0.01 -0.00 0.06 -0.04 3.06 3.07 1iehA7 TYR 60 HB3 -0.14 -0.16 -0.01 -0.04 2.98 2.63 1iehA7 TYR 60 HD2 0.01 -0.05 -0.31 -0.04 7.15 6.76 1iehA7 TYR 60 HE2 0.06 0.05 -0.13 -0.04 6.85 6.79 1iehA7 ALA 61 H -0.52 0.53 0.24 -0.55 8.40 8.11 1iehA7 ALA 61 HA -0.17 0.21 0.52 -0.75 4.34 4.14 1iehA7 ALA 61 HB3 -0.36 0.02 0.17 -0.04 1.41 1.19 1iehA7 ASP 62 H 0.03 0.04 -0.86 -0.55 8.40 7.07 1iehA7 ASP 62 HA 0.02 0.05 0.32 -0.75 4.63 4.26 1iehA7 ASP 62 HB2 0.02 0.22 0.23 -0.04 2.71 3.14 1iehA7 ASP 62 HB3 0.02 0.01 0.10 -0.04 2.70 2.79 1iehA7 SER 63 H -0.06 0.25 -1.14 -0.55 8.46 6.96 1iehA7 SER 63 HA -0.06 0.23 0.64 -0.75 4.49 4.55 1iehA7 SER 63 HB2 -0.08 -0.04 -0.07 -0.04 3.95 3.72 1iehA7 SER 63 HB3 -0.06 0.03 0.09 -0.04 3.93 3.95 1iehA7 VAL 64 H -0.08 -0.09 -0.30 -0.55 8.24 7.21 1iehA7 VAL 64 HA -0.31 0.32 0.78 -0.75 4.13 4.16 1iehA7 VAL 64 HB -0.14 0.00 0.09 -0.04 2.12 2.03 1iehA7 VAL 64 HG13 -0.18 0.01 -0.21 -0.04 0.97 0.55 1iehA7 VAL 64 HG23 0.01 -0.03 -0.10 -0.04 0.95 0.78 1iehA7 LYS 65 H -0.10 0.15 -0.36 -0.55 8.42 7.56 1iehA7 LYS 65 HA -0.59 0.12 0.66 -0.75 4.32 3.75 1iehA7 LYS 65 HB2 -0.07 -0.19 0.06 -0.04 1.87 1.62 1iehA7 LYS 65 HB3 -0.10 0.15 0.11 -0.04 1.79 1.91 1iehA7 LYS 65 HG2 -0.10 0.04 -0.01 -0.04 1.46 1.35 1iehA7 LYS 65 HG3 -0.25 0.08 -0.15 -0.04 1.46 1.10 1iehA7 LYS 65 HD2 -0.84 0.02 0.03 -0.04 1.69 0.87 1iehA7 LYS 65 HD3 -0.09 -0.14 0.03 -0.04 1.68 1.44 1iehA7 LYS 65 HE2 0.03 0.00 0.03 -0.04 2.99 3.01 1iehA7 LYS 65 HE3 -0.09 0.04 -0.00 -0.04 2.99 2.89 1iehA7 GLY 66 H -0.37 0.24 0.16 -0.55 8.43 7.91 1iehA7 GLY 66 HA2 -0.13 0.02 0.30 -0.51 4.01 3.68 1iehA7 GLY 66 HA3 -0.12 0.20 0.68 -0.51 4.01 4.26 1iehA7 ARG 67 H -0.15 0.03 -0.57 -0.55 8.46 7.22 1iehA7 ARG 67 HA -0.02 0.19 0.73 -0.75 4.34 4.48 1iehA7 ARG 67 HB2 -0.30 0.07 -0.11 -0.04 1.90 1.51 1iehA7 ARG 67 HB3 -0.14 0.07 -0.07 -0.04 1.80 1.62 1iehA7 ARG 67 HG2 -0.23 -0.05 -0.50 -0.04 1.67 0.85 1iehA7 ARG 67 HG3 -0.62 -0.05 -0.03 -0.04 1.67 0.94 1iehA7 ARG 67 HD2 -0.20 0.07 -0.35 -0.04 3.22 2.70 1iehA7 ARG 67 HD3 -0.20 0.02 -0.10 -0.04 3.22 2.90 1iehA7 PHE 68 H 0.01 0.26 0.15 -0.55 8.34 8.21 1iehA7 PHE 68 HA -0.02 0.30 1.02 -0.75 4.62 5.17 1iehA7 PHE 68 HB2 0.15 0.03 0.05 -0.04 3.15 3.34 1iehA7 PHE 68 HB3 0.05 -0.04 -0.10 -0.04 3.06 2.92 1iehA7 PHE 68 HD2 0.05 0.10 -0.30 -0.04 7.28 7.08 1iehA7 PHE 68 HE2 0.19 0.04 -0.22 -0.04 7.38 7.35 1iehA7 PHE 68 HZ 0.13 -0.07 -0.15 -0.04 7.32 7.19 1iehA7 THR 69 H 0.08 0.37 0.20 -0.55 8.28 8.37 1iehA7 THR 69 HA 0.25 0.15 0.94 -0.75 4.39 4.98 1iehA7 THR 69 HB 0.01 -0.09 0.18 -0.04 4.32 4.38 1iehA7 THR 69 HG23 0.06 0.01 -0.21 -0.04 1.22 1.04 1iehA7 ILE 70 H 0.29 0.21 0.08 -0.55 8.25 8.27 1iehA7 ILE 70 HA 0.09 0.17 0.91 -0.75 4.18 4.59 1iehA7 ILE 70 HB 0.04 -0.03 -0.09 -0.04 1.89 1.77 1iehA7 ILE 70 HG12 0.39 0.08 -0.14 -0.04 1.49 1.78 1iehA7 ILE 70 HG13 0.41 -0.03 -0.13 -0.04 1.21 1.42 1iehA7 ILE 70 HG23 0.01 -0.01 -0.07 -0.04 0.93 0.81 1iehA7 ILE 70 HD13 0.19 -0.03 -0.40 -0.04 0.88 0.61 1iehA7 SER 71 H 0.17 0.59 0.31 -0.55 8.46 8.99 1iehA7 SER 71 HA 0.15 0.08 0.58 -0.75 4.49 4.55 1iehA7 SER 71 HB2 0.08 -0.02 -0.23 -0.04 3.95 3.74 1iehA7 SER 71 HB3 0.08 0.00 -0.01 -0.04 3.93 3.96 1iehA7 ARG 72 H 0.14 0.28 0.21 -0.55 8.46 8.55 1iehA7 ARG 72 HA 0.31 0.02 0.60 -0.75 4.34 4.51 1iehA7 ARG 72 HB2 0.02 0.39 0.43 -0.04 1.90 2.70 1iehA7 ARG 72 HB3 0.35 -0.03 -0.13 -0.04 1.80 1.94 1iehA7 ARG 72 HG2 0.21 -0.05 -0.13 -0.04 1.67 1.66 1iehA7 ARG 72 HG3 0.30 0.13 -0.04 -0.04 1.67 2.02 1iehA7 ARG 72 HD2 0.73 -0.01 -0.15 -0.04 3.22 3.75 1iehA7 ARG 72 HD3 0.40 -0.04 -0.21 -0.04 3.22 3.33 1iehA7 ASP 73 H 0.01 0.21 0.16 -0.55 8.40 8.24 1iehA7 ASP 73 HA 0.02 0.27 0.71 -0.75 4.63 4.87 1iehA7 ASP 73 HB2 -0.01 -0.27 0.06 -0.04 2.71 2.46 1iehA7 ASP 73 HB3 -0.02 0.15 0.01 -0.04 2.70 2.80 1iehA7 ASN 74 H 0.02 0.21 0.12 -0.55 8.53 8.34 1iehA7 ASN 74 HA 0.10 0.12 0.92 -0.75 4.76 5.15 1iehA7 ASN 74 HB2 0.06 0.03 0.20 -0.04 2.88 3.13 1iehA7 ASN 74 HB3 0.07 0.08 -0.00 -0.04 2.79 2.89 1iehA7 ASN 74 HD21 0.04 0.06 -0.03 -0.04 7.03 7.06 1iehA7 ASN 74 HD22 0.02 0.04 -0.01 -0.04 7.74 7.75 1iehA7 ALA 75 H 0.02 -0.01 -0.05 -0.55 8.40 7.81 1iehA7 ALA 75 HA 0.05 0.09 0.41 -0.75 4.34 4.13 1iehA7 ALA 75 HB3 0.03 0.06 -0.00 -0.04 1.41 1.45 1iehA7 LYS 76 H -0.02 -0.23 0.10 -0.55 8.42 7.72 1iehA7 LYS 76 HA -0.01 0.23 0.53 -0.75 4.32 4.31 1iehA7 LYS 76 HB2 -0.01 -0.17 -0.32 -0.04 1.87 1.33 1iehA7 LYS 76 HB3 -0.01 0.01 -0.15 -0.04 1.79 1.61 1iehA7 LYS 76 HG2 0.00 0.06 0.16 -0.04 1.46 1.64 1iehA7 LYS 76 HG3 0.00 0.03 0.00 -0.04 1.46 1.45 1iehA7 LYS 76 HD2 0.05 -0.04 -0.06 -0.04 1.69 1.59 1iehA7 LYS 76 HD3 0.04 0.02 -0.03 -0.04 1.68 1.68 1iehA7 LYS 76 HE2 0.02 0.03 0.01 -0.04 2.99 3.00 1iehA7 LYS 76 HE3 0.01 0.01 0.00 -0.04 2.99 2.97 1iehA7 ASN 77 H -0.08 -0.34 0.07 -0.55 8.53 7.63 1iehA7 ASN 77 HA -0.09 0.03 0.32 -0.75 4.76 4.26 1iehA7 ASN 77 HB2 -0.01 -0.06 -0.37 -0.04 2.88 2.39 1iehA7 ASN 77 HB3 -0.03 0.14 0.31 -0.04 2.79 3.18 1iehA7 ASN 77 HD21 -0.03 -0.10 -0.21 -0.04 7.03 6.64 1iehA7 ASN 77 HD22 -0.31 0.26 -0.01 -0.04 7.74 7.65 1iehA7 THR 78 H -1.26 0.07 0.11 -0.55 8.28 6.66 1iehA7 THR 78 HA -0.28 0.42 0.80 -0.75 4.39 4.58 1iehA7 THR 78 HB -0.30 -0.06 -0.18 -0.04 4.32 3.74 1iehA7 THR 78 HG23 -0.18 0.01 -0.02 -0.04 1.22 0.99 1iehA7 LEU 79 H -0.12 0.39 0.34 -0.55 8.37 8.42 1iehA7 LEU 79 HA 0.28 0.16 1.04 -0.75 4.35 5.07 1iehA7 LEU 79 HB2 0.25 -0.02 0.01 -0.04 1.64 1.83 1iehA7 LEU 79 HB3 0.56 0.00 -0.04 -0.04 1.64 2.12 1iehA7 LEU 79 HG 0.66 -0.00 -0.12 -0.04 1.64 2.13 1iehA7 LEU 79 HD13 -0.33 -0.04 -0.17 -0.04 0.93 0.34 1iehA7 LEU 79 HD23 0.62 0.02 -0.13 -0.04 0.89 1.36 1iehA7 TYR 80 H 0.41 0.60 0.40 -0.55 8.29 9.15 1iehA7 TYR 80 HA -0.01 0.32 1.17 -0.75 4.56 5.28 1iehA7 TYR 80 HB2 0.01 -0.03 -0.01 -0.04 3.06 2.99 1iehA7 TYR 80 HB3 -0.06 0.07 -0.05 -0.04 2.98 2.89 1iehA7 TYR 80 HD2 -0.01 0.04 -0.14 -0.04 7.15 6.99 1iehA7 TYR 80 HE2 -0.05 -0.02 -0.15 -0.04 6.85 6.59 1iehA7 LEU 81 H -0.52 0.47 0.22 -0.55 8.37 7.99 1iehA7 LEU 81 HA -0.23 0.43 1.19 -0.75 4.35 4.99 1iehA7 LEU 81 HB2 -1.20 -0.06 -0.13 -0.04 1.64 0.21 1iehA7 LEU 81 HB3 -1.27 -0.06 -0.01 -0.04 1.64 0.27 1iehA7 LEU 81 HG -0.26 0.10 -0.09 -0.04 1.64 1.34 1iehA7 LEU 81 HD13 -0.01 -0.04 -0.29 -0.04 0.93 0.56 1iehA7 LEU 81 HD23 -0.73 -0.02 -0.31 -0.04 0.89 -0.21 1iehA7 GLN 82 H -0.15 0.53 0.31 -0.55 8.47 8.61 1iehA7 GLN 82 HA -0.22 0.25 1.06 -0.75 4.36 4.70 1iehA7 GLN 82 HB2 -0.08 0.01 0.01 -0.04 2.15 2.05 1iehA7 GLN 82 HB3 -0.05 -0.05 0.20 -0.04 2.02 2.08 1iehA7 GLN 82 HG2 -0.05 -0.00 -0.09 -0.04 2.40 2.22 1iehA7 GLN 82 HG3 -0.09 0.05 -0.23 -0.04 2.39 2.07 1iehA7 GLN 82 HE21 -0.06 -0.01 -0.11 -0.04 6.97 6.75 1iehA7 GLN 82 HE22 -0.05 -0.01 -0.09 -0.04 7.69 7.50 1iehA7 MET 83 H -0.37 0.64 0.27 -0.55 8.47 8.47 1iehA7 MET 83 HA -0.64 0.08 0.61 -0.75 4.52 3.81 1iehA7 MET 83 HB2 -0.48 0.01 0.19 -0.04 2.15 1.82 1iehA7 MET 83 HB3 -0.39 -0.03 0.03 -0.04 2.03 1.60 1iehA7 MET 83 HG2 -2.36 0.02 -0.09 -0.04 2.63 0.16 1iehA7 MET 83 HG3 -1.24 -0.04 -0.15 -0.04 2.56 1.08 1iehA7 MET 83 HE3 -1.15 -0.01 -0.10 -0.04 2.10 0.79 1iehA7 ASN 84 H 0.16 0.49 0.29 -0.55 8.53 8.93 1iehA7 ASN 84 HA 0.02 0.12 0.87 -0.75 4.76 5.01 1iehA7 ASN 84 HB2 0.02 -0.05 -0.00 -0.04 2.88 2.80 1iehA7 ASN 84 HB3 0.04 0.13 0.02 -0.04 2.79 2.94 1iehA7 ASN 84 HD21 -0.01 -0.02 -0.04 -0.04 7.03 6.92 1iehA7 ASN 84 HD22 -0.01 -0.00 -0.01 -0.04 7.74 7.68 1iehA7 SER 85 H 0.02 0.24 0.16 -0.55 8.46 8.34 1iehA7 SER 85 HA 0.01 0.06 0.35 -0.75 4.49 4.16 1iehA7 SER 85 HB2 0.01 0.06 -0.28 -0.04 3.95 3.70 1iehA7 SER 85 HB3 -0.02 -0.04 0.24 -0.04 3.93 4.06 1iehA7 LEU 86 H 0.04 0.05 -0.21 -0.55 8.37 7.70 1iehA7 LEU 86 HA 0.09 0.08 0.27 -0.75 4.35 4.04 1iehA7 LEU 86 HB2 0.03 -0.08 -0.15 -0.04 1.64 1.40 1iehA7 LEU 86 HB3 0.06 -0.13 -0.12 -0.04 1.64 1.41 1iehA7 LEU 86 HG 0.10 0.11 -0.43 -0.04 1.64 1.38 1iehA7 LEU 86 HD13 0.01 0.00 -0.27 -0.04 0.93 0.62 1iehA7 LEU 86 HD23 0.02 -0.02 -0.21 -0.04 0.89 0.64 1iehA7 LYS 87 H 0.05 -0.11 0.03 -0.55 8.42 7.83 1iehA7 LYS 87 HA 0.01 0.17 0.50 -0.75 4.32 4.25 1iehA7 LYS 87 HB2 -0.00 0.02 -0.02 -0.04 1.87 1.83 1iehA7 LYS 87 HB3 -0.00 0.24 -0.08 -0.04 1.79 1.91 1iehA7 LYS 87 HG2 0.01 -0.32 0.04 -0.04 1.46 1.15 1iehA7 LYS 87 HG3 -0.01 -0.04 -0.00 -0.04 1.46 1.37 1iehA7 LYS 87 HD2 -0.03 0.02 -0.08 -0.04 1.69 1.56 1iehA7 LYS 87 HD3 -0.03 0.29 -0.23 -0.04 1.68 1.67 1iehA7 LYS 87 HE2 -0.07 -0.20 -0.02 -0.04 2.99 2.65 1iehA7 LYS 87 HE3 -0.08 0.04 -0.03 -0.04 2.99 2.88 1iehA7 SER 88 H 0.03 -0.07 0.16 -0.55 8.46 8.04 1iehA7 SER 88 HA 0.03 0.15 0.48 -0.75 4.49 4.40 1iehA7 SER 88 HB2 0.01 0.03 -0.39 -0.04 3.95 3.56 1iehA7 SER 88 HB3 0.02 0.04 -0.07 -0.04 3.93 3.88 1iehA7 GLU 89 H 0.02 0.16 0.14 -0.55 8.60 8.37 1iehA7 GLU 89 HA 0.03 0.17 0.33 -0.75 4.29 4.07 1iehA7 GLU 89 HB2 -0.00 0.04 0.05 -0.04 2.09 2.15 1iehA7 GLU 89 HB3 -0.01 0.02 0.10 -0.04 1.99 2.07 1iehA7 GLU 89 HG2 -0.03 -0.11 -0.04 -0.04 2.34 2.11 1iehA7 GLU 89 HG3 0.00 0.03 -0.46 -0.04 2.34 1.87 1iehA7 ASP 90 H 0.11 -0.24 -0.58 -0.55 8.40 7.14 1iehA7 ASP 90 HA 0.51 0.13 0.31 -0.75 4.63 4.83 1iehA7 ASP 90 HB2 0.15 -0.01 -0.20 -0.04 2.71 2.61 1iehA7 ASP 90 HB3 0.30 0.07 -0.12 -0.04 2.70 2.91 1iehA7 THR 91 H 0.10 0.16 -0.32 -0.55 8.28 7.68 1iehA7 THR 91 HA 0.10 0.07 0.34 -0.75 4.39 4.13 1iehA7 THR 91 HB 0.05 0.10 0.26 -0.04 4.32 4.69 1iehA7 THR 91 HG23 0.04 0.00 0.13 -0.04 1.22 1.34 1iehA7 ALA 92 H 0.18 0.47 0.46 -0.55 8.40 8.96 1iehA7 ALA 92 HA 0.03 0.02 0.45 -0.75 4.34 4.09 1iehA7 ALA 92 HB3 -0.07 0.08 -0.33 -0.04 1.41 1.05 1iehA7 VAL 93 H -0.06 0.47 0.20 -0.55 8.24 8.30 1iehA7 VAL 93 HA -0.01 0.36 1.05 -0.75 4.13 4.77 1iehA7 VAL 93 HB -0.07 -0.03 0.13 -0.04 2.12 2.12 1iehA7 VAL 93 HG13 -0.43 0.03 -0.31 -0.04 0.97 0.22 1iehA7 VAL 93 HG23 0.01 -0.01 -0.08 -0.04 0.95 0.82 1iehA7 TYR 94 H 0.10 0.48 0.29 -0.55 8.29 8.62 1iehA7 TYR 94 HA 0.04 0.23 1.13 -0.75 4.56 5.20 1iehA7 TYR 94 HB2 0.03 -0.08 0.10 -0.04 3.06 3.07 1iehA7 TYR 94 HB3 0.32 0.08 0.01 -0.04 2.98 3.35 1iehA7 TYR 94 HD2 0.02 0.06 -0.16 -0.04 7.15 7.02 1iehA7 TYR 94 HE2 0.12 0.13 -0.10 -0.04 6.85 6.97 1iehA7 TYR 95 H 0.35 0.56 0.20 -0.55 8.29 8.84 1iehA7 TYR 95 HA 0.05 0.25 0.83 -0.75 4.56 4.93 1iehA7 TYR 95 HB2 -0.07 -0.09 -0.14 -0.04 3.06 2.72 1iehA7 TYR 95 HB3 -0.07 0.07 0.01 -0.04 2.98 2.94 1iehA7 TYR 95 HD2 0.01 0.14 -0.22 -0.04 7.15 7.05 1iehA7 TYR 95 HE2 0.00 -0.02 -0.11 -0.04 6.85 6.68 1iehA7 CYS 96 H -0.19 0.19 0.15 -0.55 8.50 8.10 1iehA7 CYS 96 HA -0.71 0.36 1.11 -0.75 4.58 4.58 1iehA7 CYS 96 HB2 -1.60 0.07 0.03 -0.04 2.97 1.44 1iehA7 CYS 96 HB3 -1.35 0.00 -0.11 -0.04 2.97 1.48 1iehA7 ALA 97 H -0.36 0.62 0.36 -0.55 8.40 8.48 1iehA7 ALA 97 HA -0.46 0.10 0.56 -0.75 4.34 3.79 1iehA7 ALA 97 HB3 -1.01 0.03 0.02 -0.04 1.41 0.41 1iehA7 LYS 98 H -0.71 0.12 0.16 -0.55 8.42 7.44 1iehA7 LYS 98 HA 0.04 0.25 0.88 -0.75 4.32 4.74 1iehA7 LYS 98 HB2 0.18 0.01 0.12 -0.04 1.87 2.14 1iehA7 LYS 98 HB3 0.65 -0.09 0.15 -0.04 1.79 2.47 1iehA7 LYS 98 HG2 0.11 0.31 -0.22 -0.04 1.46 1.63 1iehA7 LYS 98 HG3 -0.14 -0.13 0.09 -0.04 1.46 1.24 1iehA7 LYS 98 HD2 0.43 -0.07 -0.10 -0.04 1.69 1.90 1iehA7 LYS 98 HD3 0.08 0.04 -0.02 -0.04 1.68 1.74 1iehA7 LYS 98 HE2 0.30 -0.06 -0.00 -0.04 2.99 3.19 1iehA7 LYS 98 HE3 -0.02 0.01 -0.01 -0.04 2.99 2.92 1iehA7 TYR 99 H 0.20 0.20 -0.25 -0.55 8.29 7.89 1iehA7 TYR 99 HA -0.11 0.10 0.44 -0.75 4.56 4.24 1iehA7 TYR 99 HB2 0.00 -0.01 -0.15 -0.04 3.06 2.86 1iehA7 TYR 99 HB3 -0.15 0.08 -0.19 -0.04 2.98 2.68 1iehA7 TYR 99 HD2 -0.17 0.04 -0.35 -0.04 7.15 6.63 1iehA7 TYR 99 HE2 -0.30 0.03 -0.31 -0.04 6.85 6.23 1iehA7 SER 100 H -0.29 -0.00 0.02 -0.55 8.46 7.64 1iehA7 SER 100 HA -0.11 0.16 0.62 -0.75 4.49 4.41 1iehA7 SER 100 HB2 -0.09 -0.03 -0.10 -0.04 3.95 3.68 1iehA7 SER 100 HB3 -0.08 0.01 -0.07 -0.04 3.93 3.75 1iehA7 GLY 101 H -0.28 0.01 0.11 -0.55 8.43 7.72 1iehA7 GLY 101 HA2 -0.12 0.30 0.95 -0.51 4.01 4.63 1iehA7 GLY 101 HA3 -0.14 0.00 0.36 -0.51 4.01 3.72 1iehA7 GLY 102 H -0.24 -0.00 0.22 -0.55 8.43 7.86 1iehA7 GLY 102 HA2 -0.09 0.23 0.77 -0.51 4.01 4.41 1iehA7 GLY 102 HA3 -0.15 0.06 0.27 -0.51 4.01 3.68 1iehA7 ALA 103 H -0.41 -0.12 0.20 -0.55 8.40 7.53 1iehA7 ALA 103 HA -0.25 0.20 0.85 -0.75 4.34 4.38 1iehA7 ALA 103 HB3 -0.13 0.04 -0.03 -0.04 1.41 1.24 1iehA7 LEU 104 H -0.13 0.14 0.07 -0.55 8.37 7.90 1iehA7 LEU 104 HA -0.41 0.19 0.71 -0.75 4.35 4.07 1iehA7 LEU 104 HB2 0.11 0.02 -0.13 -0.04 1.64 1.60 1iehA7 LEU 104 HB3 -0.05 0.03 -0.17 -0.04 1.64 1.41 1iehA7 LEU 104 HG -0.36 -0.24 -0.13 -0.04 1.64 0.87 1iehA7 LEU 104 HD13 -0.21 0.06 -0.46 -0.04 0.93 0.28 1iehA7 LEU 104 HD23 0.00 0.05 -0.19 -0.04 0.89 0.72 1iehA7 ASP 105 H -0.42 0.11 0.07 -0.55 8.40 7.61 1iehA7 ASP 105 HA -0.12 0.21 0.74 -0.75 4.63 4.71 1iehA7 ASP 105 HB2 0.07 -0.01 0.04 -0.04 2.71 2.77 1iehA7 ASP 105 HB3 0.06 0.01 -0.09 -0.04 2.70 2.64 1iehA7 ALA 106 H -0.85 -0.11 -0.04 -0.55 8.40 6.85 1iehA7 ALA 106 HA -0.53 -0.09 0.20 -0.75 4.34 3.16 1iehA7 ALA 106 HB3 -0.32 0.09 -0.14 -0.04 1.41 1.00 1iehA7 TRP 107 H -0.35 0.13 0.22 -0.55 7.97 7.42 1iehA7 TRP 107 HA -0.02 0.29 0.84 -0.75 4.62 4.97 1iehA7 TRP 107 HB2 -0.02 -0.21 0.13 -0.04 3.23 3.09 1iehA7 TRP 107 HB3 -0.02 0.10 0.27 -0.04 3.23 3.54 1iehA7 TRP 107 HD1 -0.04 0.21 -0.25 -0.04 7.22 7.10 1iehA7 TRP 107 HE1 -0.05 0.02 -0.11 -0.04 10.20 10.03 1iehA7 TRP 107 HE3 0.01 -0.04 -0.06 -0.04 7.59 7.45 1iehA7 TRP 107 HZ2 -0.05 0.05 0.01 -0.04 7.44 7.41 1iehA7 TRP 107 HZ3 0.16 0.01 0.02 -0.04 7.13 7.27 1iehA7 TRP 107 HH2 -0.03 0.09 0.05 -0.04 7.19 7.26 1iehA7 GLY 108 H 0.01 -0.04 0.17 -0.55 8.43 8.02 1iehA7 GLY 108 HA2 0.10 0.51 0.24 -0.51 4.01 4.35 1iehA7 GLY 108 HA3 0.03 -0.05 0.15 -0.51 4.01 3.63 1iehA7 GLN 109 H 0.08 0.05 0.38 -0.55 8.47 8.43 1iehA7 GLN 109 HA 0.13 0.07 0.42 -0.75 4.36 4.23 1iehA7 GLN 109 HB2 0.06 -0.16 0.37 -0.04 2.15 2.37 1iehA7 GLN 109 HB3 0.06 0.12 0.04 -0.04 2.02 2.19 1iehA7 GLN 109 HG2 0.07 0.04 0.14 -0.04 2.40 2.61 1iehA7 GLN 109 HG3 0.05 0.01 0.16 -0.04 2.39 2.57 1iehA7 GLN 109 HE21 0.04 0.02 0.05 -0.04 6.97 7.05 1iehA7 GLN 109 HE22 0.04 -0.00 0.04 -0.04 7.69 7.72 1iehA7 GLY 110 H 0.14 0.11 0.16 -0.55 8.43 8.29 1iehA7 GLY 110 HA2 -0.40 0.22 0.45 -0.51 4.01 3.77 1iehA7 GLY 110 HA3 -0.31 -0.02 0.24 -0.51 4.01 3.42 1iehA7 THR 111 H -0.03 0.65 0.33 -0.55 8.28 8.68 1iehA7 THR 111 HA 0.01 0.02 0.49 -0.75 4.39 4.15 1iehA7 THR 111 HB 0.08 0.02 -0.03 -0.04 4.32 4.35 1iehA7 THR 111 HG23 0.11 0.01 0.11 -0.04 1.22 1.41 1iehA7 GLN 112 H 0.00 0.11 0.21 -0.55 8.47 8.25 1iehA7 GLN 112 HA 0.01 0.15 0.62 -0.75 4.36 4.39 1iehA7 GLN 112 HB2 0.01 0.05 0.12 -0.04 2.15 2.28 1iehA7 GLN 112 HB3 0.01 -0.04 0.20 -0.04 2.02 2.15 1iehA7 GLN 112 HG2 0.01 -0.02 -0.04 -0.04 2.40 2.31 1iehA7 GLN 112 HG3 0.01 -0.00 -0.26 -0.04 2.39 2.10 1iehA7 GLN 112 HE21 0.03 0.10 -0.23 -0.04 6.97 6.82 1iehA7 GLN 112 HE22 0.02 -0.03 -0.15 -0.04 7.69 7.49 1iehA7 VAL 113 H 0.08 0.60 0.38 -0.55 8.24 8.75 1iehA7 VAL 113 HA -0.02 0.04 1.00 -0.75 4.13 4.40 1iehA7 VAL 113 HB 0.16 0.18 0.23 -0.04 2.12 2.65 1iehA7 VAL 113 HG13 -0.12 -0.01 -0.09 -0.04 0.97 0.71 1iehA7 VAL 113 HG23 -0.17 -0.03 -0.11 -0.04 0.95 0.60 1iehA7 THR 114 H -0.00 0.56 0.31 -0.55 8.28 8.60 1iehA7 THR 114 HA 0.04 0.16 0.93 -0.75 4.39 4.77 1iehA7 THR 114 HB 0.01 -0.05 -0.11 -0.04 4.32 4.13 1iehA7 THR 114 HG23 0.02 0.01 -0.03 -0.04 1.22 1.18 1iehA7 VAL 115 H 0.02 0.22 0.08 -0.55 8.24 8.01 1iehA7 VAL 115 HA 0.01 0.26 0.91 -0.75 4.13 4.56 1iehA7 VAL 115 HB 0.03 0.02 0.09 -0.04 2.12 2.21 1iehA7 VAL 115 HG13 0.02 -0.00 -0.40 -0.04 0.97 0.55 1iehA7 VAL 115 HG23 0.04 0.01 -0.42 -0.04 0.95 0.54 1iehA7 SER 116 H 0.00 0.49 0.17 -0.55 8.46 8.58 1iehA7 SER 116 HA 0.01 0.22 0.96 -0.75 4.49 4.92 1iehA7 SER 116 HB2 0.00 -0.05 0.14 -0.04 3.95 3.99 1iehA7 SER 116 HB3 0.01 0.01 -0.09 -0.04 3.93 3.82 1iehA7 SER 117 H 0.00 0.16 0.18 -0.55 8.46 8.25 1iehA7 SER 117 HA 0.00 0.13 0.65 -0.75 4.49 4.51 1iehA7 SER 117 HB2 0.00 0.07 0.12 -0.04 3.95 4.09 1iehA7 SER 117 HB3 0.00 -0.00 0.09 -0.04 3.93 3.98 1iehA7 GLN 118 H 0.00 -0.09 -0.16 -0.55 8.47 7.68 1iehA7 GLN 118 HA -0.00 0.02 0.25 -0.75 4.36 3.88 1iehA7 GLN 118 HB2 -0.00 -0.15 0.16 -0.04 2.15 2.11 1iehA7 GLN 118 HB3 -0.00 0.04 -0.09 -0.04 2.02 1.93 1iehA7 GLN 118 HG2 -0.00 0.33 -0.89 -0.04 2.40 1.80 1iehA7 GLN 118 HG3 -0.00 -0.34 0.01 -0.04 2.39 2.01 1iehA7 GLN 118 HE21 -0.00 -0.10 -0.34 -0.04 6.97 6.48 1iehA7 GLN 118 HE22 -0.01 0.19 -0.17 -0.04 7.69 7.66 1iehA7 SER 119 H -0.00 0.05 0.12 -0.55 8.46 8.08 1iehA7 SER 119 HA -0.00 0.28 0.76 -0.75 4.49 4.77 1iehA7 SER 119 HB2 -0.00 -0.01 0.20 -0.04 3.95 4.10 1iehA7 SER 119 HB3 -0.00 0.06 0.08 -0.04 3.93 4.03 1iehA7 GLU 120 H -0.00 0.10 0.06 -0.55 8.60 8.20 1iehA7 GLU 120 HA -0.00 0.09 0.59 -0.75 4.29 4.21 1iehA7 GLU 120 HB2 -0.01 0.06 0.03 -0.04 2.09 2.14 1iehA7 GLU 120 HB3 -0.01 -0.01 0.15 -0.04 1.99 2.08 1iehA7 GLU 120 HG2 -0.00 -0.09 0.00 -0.04 2.34 2.20 1iehA7 GLU 120 HG3 -0.01 0.03 0.03 -0.04 2.34 2.36 1iehA7 GLN 121 H -0.00 -0.06 0.24 -0.55 8.47 8.09 1iehA7 GLN 121 HA -0.00 0.16 0.56 -0.75 4.36 4.32 1iehA7 GLN 121 HB2 -0.00 0.04 -0.30 -0.04 2.15 1.84 1iehA7 GLN 121 HB3 -0.00 -0.03 -0.08 -0.04 2.02 1.87 1iehA7 GLN 121 HG2 -0.00 0.11 0.13 -0.04 2.40 2.59 1iehA7 GLN 121 HG3 -0.00 -0.01 -0.02 -0.04 2.39 2.32 1iehA7 GLN 121 HE21 -0.00 -0.00 -0.03 -0.04 6.97 6.89 1iehA7 GLN 121 HE22 -0.00 -0.01 -0.02 -0.04 7.69 7.61 1iehA7 LYS 122 H -0.00 -0.08 0.24 -0.55 8.42 8.03 1iehA7 LYS 122 HA -0.00 0.28 0.90 -0.75 4.32 4.75 1iehA7 LYS 122 HB2 -0.00 0.02 0.02 -0.04 1.87 1.87 1iehA7 LYS 122 HB3 -0.00 -0.03 -0.00 -0.04 1.79 1.71 1iehA7 LYS 122 HG2 -0.00 -0.13 0.07 -0.04 1.46 1.36 1iehA7 LYS 122 HG3 -0.00 0.09 -0.00 -0.04 1.46 1.50 1iehA7 LYS 122 HD2 0.00 0.05 -0.01 -0.04 1.69 1.70 1iehA7 LYS 122 HD3 -0.00 -0.04 -0.00 -0.04 1.68 1.60 1iehA7 LYS 122 HE2 -0.00 -0.13 0.04 -0.04 2.99 2.85 1iehA7 LYS 122 HE3 -0.00 0.10 -0.00 -0.04 2.99 3.05 1iehA7 LEU 123 H -0.00 0.21 -0.06 -0.55 8.37 7.97 1iehA7 LEU 123 HA -0.01 0.08 0.48 -0.75 4.35 4.16 1iehA7 LEU 123 HB2 -0.01 0.03 -0.41 -0.04 1.64 1.21 1iehA7 LEU 123 HB3 -0.01 -0.01 0.16 -0.04 1.64 1.74 1iehA7 LEU 123 HG -0.01 0.09 0.15 -0.04 1.64 1.84 1iehA7 LEU 123 HD13 -0.01 0.00 -0.03 -0.04 0.93 0.85 1iehA7 LEU 123 HD23 -0.01 -0.02 -0.00 -0.04 0.89 0.82 1iehA7 ILE 124 H -0.00 0.15 0.04 -0.55 8.25 7.89 1iehA7 ILE 124 HA -0.00 0.04 0.39 -0.75 4.18 3.85 1iehA7 ILE 124 HB -0.01 0.08 0.16 -0.04 1.89 2.08 1iehA7 ILE 124 HG12 -0.01 0.03 0.02 -0.04 1.49 1.49 1iehA7 ILE 124 HG13 -0.01 -0.05 -0.18 -0.04 1.21 0.93 1iehA7 ILE 124 HG23 -0.01 -0.03 0.07 -0.04 0.93 0.92 1iehA7 ILE 124 HD13 -0.01 0.03 -0.03 -0.04 0.88 0.83 1iehA7 SER 125 H -0.01 0.22 0.39 -0.55 8.46 8.52 1iehA7 SER 125 HA -0.01 0.04 0.39 -0.75 4.49 4.16 1iehA7 SER 125 HB2 -0.01 0.00 0.14 -0.04 3.95 4.05 1iehA7 SER 125 HB3 -0.01 0.02 -0.32 -0.04 3.93 3.59 1iehA7 GLU 126 H -0.00 -0.27 -0.56 -0.55 8.60 7.22 1iehA7 GLU 126 HA -0.00 0.16 0.46 -0.75 4.29 4.15 1iehA7 GLU 126 HB2 -0.00 0.08 -0.24 -0.04 2.09 1.89 1iehA7 GLU 126 HB3 0.00 0.03 0.06 -0.04 1.99 2.05 1iehA7 GLU 126 HG2 -0.00 0.03 0.21 -0.04 2.34 2.54 1iehA7 GLU 126 HG3 -0.00 0.03 -0.03 -0.04 2.34 2.30 1iehA7 GLU 127 H -0.00 -0.09 0.07 -0.55 8.60 8.03 1iehA7 GLU 127 HA -0.01 -0.03 0.32 -0.75 4.29 3.82 1iehA7 GLU 127 HB2 -0.00 0.23 -0.24 -0.04 2.09 2.04 1iehA7 GLU 127 HB3 -0.00 0.01 0.22 -0.04 1.99 2.18 1iehA7 GLU 127 HG2 -0.01 -0.02 0.04 -0.04 2.34 2.31 1iehA7 GLU 127 HG3 -0.01 -0.06 -0.11 -0.04 2.34 2.13 1iehA7 ASP 128 H -0.00 -0.21 -0.43 -0.55 8.40 7.22 1iehA7 ASP 128 HA 0.00 -0.03 0.24 -0.75 4.63 4.09 1iehA7 ASP 128 HB2 -0.00 -0.07 -0.45 -0.04 2.71 2.15 1iehA7 ASP 128 HB3 0.00 0.13 -0.00 -0.04 2.70 2.79 1iehA7 LEU 129 H 0.01 0.09 0.11 -0.55 8.37 8.03 1iehA7 LEU 129 HA 0.02 0.23 0.95 -0.75 4.35 4.79 1iehA7 LEU 129 HB2 0.04 -0.06 0.15 -0.04 1.64 1.73 1iehA7 LEU 129 HB3 0.05 0.05 -0.02 -0.04 1.64 1.69 1iehA7 LEU 129 HG 0.02 -0.07 -0.24 -0.04 1.64 1.30 1iehA7 LEU 129 HD13 0.02 -0.01 -0.02 -0.04 0.93 0.89 1iehA7 LEU 129 HD23 0.01 0.03 -0.02 -0.04 0.89 0.88 1iehA7 ASN 130 H 0.01 0.24 0.15 -0.55 8.53 8.39 1iehA7 ASN 130 HA 0.04 0.12 0.91 -0.75 4.76 5.07 1iehA7 ASN 130 HB2 -0.00 0.03 0.10 -0.04 2.88 2.96 1iehA7 ASN 130 HB3 -0.03 0.10 0.02 -0.04 2.79 2.84 1iehA7 ASN 130 HD21 -0.04 0.03 0.04 -0.04 7.03 7.02 1iehA7 ASN 130 HD22 -0.02 -0.03 -0.01 -0.04 7.74 7.64 1iehA7 HIS 131 H 0.09 0.10 0.13 -0.55 8.41 8.19 1iehA7 HIS 131 HA 0.10 0.23 0.88 -0.75 4.63 5.07 1iehA7 HIS 131 HB2 0.02 -0.01 0.04 -0.04 3.26 3.27 1iehA7 HIS 131 HB3 0.04 0.07 0.11 -0.04 3.20 3.38 1iehA7 HIS 131 HD2 0.07 0.04 0.11 -0.04 6.97 7.14 1iehA7 HIS 131 HE1 0.02 -0.01 -0.03 -0.04 7.75 7.69 1iehA7 HIS 132 H 0.36 0.22 0.18 -0.55 8.41 8.62 1iehA7 HIS 132 HA 0.08 0.17 0.87 -0.75 4.63 5.00 1iehA7 HIS 132 HB2 0.04 -0.01 -0.02 -0.04 3.26 3.22 1iehA7 HIS 132 HB3 0.05 0.01 -0.10 -0.04 3.20 3.12 1iehA7 HIS 132 HD2 0.03 0.04 0.03 -0.04 6.97 7.03 1iehA7 HIS 132 HE1 -0.01 0.00 -0.08 -0.04 7.75 7.62 1iehA7 HIS 133 H 0.19 0.13 0.15 -0.55 8.41 8.34 1iehA7 HIS 133 HA 0.03 0.21 0.92 -0.75 4.63 5.04 1iehA7 HIS 133 HB2 -0.01 0.02 0.02 -0.04 3.26 3.25 1iehA7 HIS 133 HB3 0.02 -0.06 0.19 -0.04 3.20 3.30 1iehA7 HIS 133 HD2 -0.04 -0.00 -0.03 -0.04 6.97 6.86 1iehA7 HIS 133 HE1 -0.17 -0.00 -0.01 -0.04 7.75 7.53 1iehA7 HIS 134 H 0.12 0.15 0.20 -0.55 8.41 8.34 1iehA7 HIS 134 HA -0.36 0.20 0.65 -0.75 4.63 4.37 1iehA7 HIS 134 HB2 -0.40 -0.02 -0.11 -0.04 3.26 2.69 1iehA7 HIS 134 HB3 -0.15 -0.04 0.03 -0.04 3.20 3.00 1iehA7 HIS 134 HD2 -0.10 -0.00 0.00 -0.04 6.97 6.82 1iehA7 HIS 134 HE1 -0.14 0.01 0.04 -0.04 7.75 7.62 1iehA7 HIS 135 H -0.52 0.14 0.05 -0.55 8.41 7.54 1iehA7 HIS 135 HA 0.03 0.26 0.77 -0.75 4.63 4.94 1iehA7 HIS 135 HB2 -0.04 0.04 0.06 -0.04 3.26 3.28 1iehA7 HIS 135 HB3 -0.04 0.05 -0.04 -0.04 3.20 3.13 1iehA7 HIS 135 HD2 -0.08 0.03 -0.04 -0.04 6.97 6.84 1iehA7 HIS 135 HE1 -0.32 0.02 0.03 -0.04 7.75 7.43