============================================================================= 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 -8.229 -6.126 -0.048 -99.200 -91.000 PHE 29 1.000 -3.957 -5.773 -3.299 -99.200 -91.000 TYR 32 0.840 -12.408 -3.199 -0.394 -99.200 -91.000 HIS 33 0.900 -10.166 3.546 -1.129 -99.200 -91.000 TRP 36 1.040 3.468 -1.415 -1.335 -99.200 -91.000 TRP6 36 1.020 4.776 -3.261 -0.661 -99.200 -91.000 TRP 47 1.040 0.702 6.260 2.819 -99.200 -91.000 TRP6 47 1.020 0.571 8.610 2.655 -99.200 -91.000 TYR 59 0.840 -3.882 11.149 -3.665 -99.200 -91.000 TYR 60 0.840 4.594 8.116 -3.838 -99.200 -91.000 PHE 68 1.000 11.171 3.902 -0.681 -99.200 -91.000 TYR 80 0.840 3.977 -6.759 -7.988 -99.200 -91.000 TYR 94 0.840 10.358 -0.400 2.800 -99.200 -91.000 TYR 95 0.840 5.425 -4.144 7.970 -99.200 -91.000 TYR 99 0.840 -3.931 5.590 2.950 -99.200 -91.000 TRP 107 1.040 -4.667 -5.037 7.304 -99.200 -91.000 TRP6 107 1.020 -5.492 -5.183 5.110 -99.200 -91.000 HIS 131 0.900 53.928 -8.710 -2.792 -99.200 -91.000 HIS 132 0.900 57.436 -15.642 1.568 -99.200 -91.000 HIS 133 0.900 58.984 -12.716 5.661 -99.200 -91.000 HIS 134 0.900 63.225 -14.298 -0.781 -99.200 -91.000 HIS 135 0.900 64.597 -8.848 4.909 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1iehA9 ASP 1 HA -0.67 0.04 0.20 -0.75 4.63 3.45 1iehA9 ASP 1 HB2 -0.89 0.02 0.02 -0.04 2.71 1.82 1iehA9 ASP 1 HB3 -2.12 -0.12 0.01 -0.04 2.70 0.43 1iehA9 VAL 2 H -1.59 0.13 0.05 -0.55 8.24 6.27 1iehA9 VAL 2 HA -0.35 0.25 0.88 -0.75 4.13 4.16 1iehA9 VAL 2 HB -0.21 0.01 -0.06 -0.04 2.12 1.81 1iehA9 VAL 2 HG13 -0.65 0.07 -0.41 -0.04 0.97 -0.07 1iehA9 VAL 2 HG23 -0.52 -0.01 -0.15 -0.04 0.95 0.22 1iehA9 GLN 3 H -0.31 0.15 -0.06 -0.55 8.47 7.70 1iehA9 GLN 3 HA 0.04 0.00 0.39 -0.75 4.36 4.04 1iehA9 GLN 3 HB2 0.01 -0.01 0.13 -0.04 2.15 2.24 1iehA9 GLN 3 HB3 -0.05 0.03 -0.29 -0.04 2.02 1.67 1iehA9 GLN 3 HG2 0.01 0.05 0.02 -0.04 2.40 2.44 1iehA9 GLN 3 HG3 0.06 -0.04 -0.08 -0.04 2.39 2.28 1iehA9 GLN 3 HE21 0.02 0.00 -0.01 -0.04 6.97 6.94 1iehA9 GLN 3 HE22 0.01 0.01 0.00 -0.04 7.69 7.67 1iehA9 LEU 4 H 0.11 0.24 0.29 -0.55 8.37 8.46 1iehA9 LEU 4 HA 0.13 0.28 0.76 -0.75 4.35 4.77 1iehA9 LEU 4 HB2 0.12 -0.23 -0.07 -0.04 1.64 1.42 1iehA9 LEU 4 HB3 0.04 0.00 -0.00 -0.04 1.64 1.64 1iehA9 LEU 4 HG 0.58 -0.06 -0.74 -0.04 1.64 1.38 1iehA9 LEU 4 HD13 -0.33 -0.02 0.01 -0.04 0.93 0.56 1iehA9 LEU 4 HD23 0.23 0.09 0.02 -0.04 0.89 1.18 1iehA9 GLN 5 H 0.04 0.34 0.18 -0.55 8.47 8.48 1iehA9 GLN 5 HA 0.04 0.05 0.82 -0.75 4.36 4.52 1iehA9 GLN 5 HB2 0.03 0.06 -0.10 -0.04 2.15 2.10 1iehA9 GLN 5 HB3 0.02 0.02 0.23 -0.04 2.02 2.25 1iehA9 GLN 5 HG2 0.02 0.01 0.02 -0.04 2.40 2.41 1iehA9 GLN 5 HG3 0.02 -0.03 -0.12 -0.04 2.39 2.22 1iehA9 GLN 5 HE21 0.02 -0.01 0.05 -0.04 6.97 6.98 1iehA9 GLN 5 HE22 0.03 0.03 0.08 -0.04 7.69 7.78 1iehA9 ALA 6 H 0.03 0.06 0.21 -0.55 8.40 8.15 1iehA9 ALA 6 HA 0.04 0.18 1.09 -0.75 4.34 4.89 1iehA9 ALA 6 HB3 0.07 0.02 0.17 -0.04 1.41 1.64 1iehA9 SER 7 H 0.05 0.44 0.28 -0.55 8.46 8.69 1iehA9 SER 7 HA 0.02 0.08 0.81 -0.75 4.49 4.65 1iehA9 SER 7 HB2 0.01 0.10 -0.03 -0.04 3.95 3.99 1iehA9 SER 7 HB3 0.01 0.01 -0.02 -0.04 3.93 3.89 1iehA9 GLY 8 H -0.00 0.10 0.22 -0.55 8.43 8.19 1iehA9 GLY 8 HA2 -0.02 0.09 0.32 -0.51 4.01 3.89 1iehA9 GLY 8 HA3 -0.04 0.19 0.94 -0.51 4.01 4.59 1iehA9 GLY 9 H -0.02 -0.11 0.11 -0.55 8.43 7.86 1iehA9 GLY 9 HA2 -0.08 -0.02 0.29 -0.51 4.01 3.70 1iehA9 GLY 9 HA3 -0.02 0.10 0.20 -0.51 4.01 3.78 1iehA9 GLY 10 H -0.08 0.11 0.38 -0.55 8.43 8.29 1iehA9 GLY 10 HA2 -0.03 0.20 0.89 -0.51 4.01 4.56 1iehA9 GLY 10 HA3 -0.04 0.02 0.38 -0.51 4.01 3.85 1iehA9 LEU 11 H -0.03 0.16 0.19 -0.55 8.37 8.15 1iehA9 LEU 11 HA -0.02 0.49 1.07 -0.75 4.35 5.13 1iehA9 LEU 11 HB2 -0.01 -0.04 0.17 -0.04 1.64 1.72 1iehA9 LEU 11 HB3 -0.01 0.01 0.04 -0.04 1.64 1.63 1iehA9 LEU 11 HG -0.00 -0.00 -0.02 -0.04 1.64 1.57 1iehA9 LEU 11 HD13 -0.00 0.01 -0.12 -0.04 0.93 0.77 1iehA9 LEU 11 HD23 -0.00 0.03 -0.16 -0.04 0.89 0.71 1iehA9 VAL 12 H -0.02 0.45 0.36 -0.55 8.24 8.49 1iehA9 VAL 12 HA -0.02 0.26 0.92 -0.75 4.13 4.53 1iehA9 VAL 12 HB -0.03 -0.13 0.11 -0.04 2.12 2.03 1iehA9 VAL 12 HG13 -0.05 0.05 -0.33 -0.04 0.97 0.60 1iehA9 VAL 12 HG23 -0.03 -0.02 -0.25 -0.04 0.95 0.61 1iehA9 GLN 13 H -0.01 0.15 0.13 -0.55 8.47 8.20 1iehA9 GLN 13 HA 0.00 0.21 0.64 -0.75 4.36 4.45 1iehA9 GLN 13 HB2 -0.00 0.22 -0.07 -0.04 2.15 2.25 1iehA9 GLN 13 HB3 -0.01 -0.06 -0.07 -0.04 2.02 1.85 1iehA9 GLN 13 HG2 -0.00 0.09 -0.50 -0.04 2.40 1.96 1iehA9 GLN 13 HG3 -0.00 0.01 -0.09 -0.04 2.39 2.27 1iehA9 GLN 13 HE21 -0.00 -0.22 -0.78 -0.04 6.97 5.92 1iehA9 GLN 13 HE22 -0.01 0.06 -0.32 -0.04 7.69 7.39 1iehA9 PRO 14 HA 0.01 -0.09 -0.04 -0.51 4.44 3.81 1iehA9 PRO 14 HB2 0.00 0.02 0.18 -0.04 2.28 2.45 1iehA9 PRO 14 HB3 0.01 0.15 0.09 -0.04 2.02 2.23 1iehA9 PRO 14 HG2 0.01 -0.02 0.09 -0.04 2.03 2.08 1iehA9 PRO 14 HG3 0.01 0.09 -0.04 -0.04 2.03 2.05 1iehA9 PRO 14 HD2 0.00 0.14 0.08 -0.04 3.68 3.86 1iehA9 PRO 14 HD3 0.01 0.11 -0.08 -0.04 3.65 3.65 1iehA9 GLY 15 H 0.01 -0.12 0.35 -0.55 8.43 8.12 1iehA9 GLY 15 HA2 0.00 -0.05 0.40 -0.51 4.01 3.85 1iehA9 GLY 15 HA3 -0.00 0.23 0.95 -0.51 4.01 4.68 1iehA9 GLY 16 H -0.00 0.12 0.25 -0.55 8.43 8.25 1iehA9 GLY 16 HA2 -0.01 0.21 0.68 -0.51 4.01 4.37 1iehA9 GLY 16 HA3 -0.02 -0.13 0.45 -0.51 4.01 3.80 1iehA9 SER 17 H -0.03 0.13 0.08 -0.55 8.46 8.09 1iehA9 SER 17 HA -0.05 0.18 0.56 -0.75 4.49 4.44 1iehA9 SER 17 HB2 -0.04 0.01 -0.01 -0.04 3.95 3.86 1iehA9 SER 17 HB3 -0.03 0.14 -0.25 -0.04 3.93 3.75 1iehA9 LEU 18 H -0.10 0.51 0.19 -0.55 8.37 8.42 1iehA9 LEU 18 HA -0.09 0.21 0.97 -0.75 4.35 4.69 1iehA9 LEU 18 HB2 -0.12 -0.03 -0.06 -0.04 1.64 1.39 1iehA9 LEU 18 HB3 -0.22 -0.05 0.07 -0.04 1.64 1.40 1iehA9 LEU 18 HG -0.19 0.02 -0.14 -0.04 1.64 1.29 1iehA9 LEU 18 HD13 -0.09 0.06 0.07 -0.04 0.93 0.93 1iehA9 LEU 18 HD23 -0.21 0.01 -0.05 -0.04 0.89 0.60 1iehA9 ARG 19 H -0.11 0.23 0.15 -0.55 8.46 8.18 1iehA9 ARG 19 HA -0.16 0.26 1.07 -0.75 4.34 4.76 1iehA9 ARG 19 HB2 -0.06 0.01 -0.11 -0.04 1.90 1.70 1iehA9 ARG 19 HB3 -0.04 -0.01 0.15 -0.04 1.80 1.87 1iehA9 ARG 19 HG2 0.07 -0.01 -0.25 -0.04 1.67 1.43 1iehA9 ARG 19 HG3 -0.00 0.02 -0.09 -0.04 1.67 1.55 1iehA9 ARG 19 HD2 0.01 -0.01 -0.06 -0.04 3.22 3.12 1iehA9 ARG 19 HD3 -0.03 -0.01 -0.10 -0.04 3.22 3.04 1iehA9 VAL 20 H -0.32 0.63 0.30 -0.55 8.24 8.30 1iehA9 VAL 20 HA -0.12 0.20 0.95 -0.75 4.13 4.41 1iehA9 VAL 20 HB -0.14 -0.01 -0.07 -0.04 2.12 1.85 1iehA9 VAL 20 HG13 -0.34 0.02 -0.24 -0.04 0.97 0.37 1iehA9 VAL 20 HG23 -1.00 0.04 -0.07 -0.04 0.95 -0.12 1iehA9 SER 21 H -0.00 0.45 0.33 -0.55 8.46 8.69 1iehA9 SER 21 HA -0.27 0.36 1.17 -0.75 4.49 5.00 1iehA9 SER 21 HB2 -0.47 -0.05 0.12 -0.04 3.95 3.51 1iehA9 SER 21 HB3 -0.24 0.02 -0.03 -0.04 3.93 3.64 1iehA9 CYS 22 H -0.18 0.35 0.35 -0.55 8.50 8.46 1iehA9 CYS 22 HA 0.01 0.08 0.82 -0.75 4.58 4.73 1iehA9 CYS 22 HB2 -0.35 -0.02 -0.04 -0.04 2.97 2.52 1iehA9 CYS 22 HB3 0.11 0.05 0.03 -0.04 2.97 3.12 1iehA9 ALA 23 H -0.02 0.50 0.16 -0.55 8.40 8.49 1iehA9 ALA 23 HA -0.16 0.34 1.22 -0.75 4.34 4.99 1iehA9 ALA 23 HB3 -0.04 0.02 0.12 -0.04 1.41 1.47 1iehA9 ALA 24 H -0.09 0.45 0.27 -0.55 8.40 8.49 1iehA9 ALA 24 HA 0.12 0.20 0.81 -0.75 4.34 4.71 1iehA9 ALA 24 HB3 0.42 0.03 0.01 -0.04 1.41 1.83 1iehA9 SER 25 H 0.14 0.59 0.19 -0.55 8.46 8.83 1iehA9 SER 25 HA 0.17 -0.12 0.66 -0.75 4.49 4.45 1iehA9 SER 25 HB2 0.05 0.04 -0.00 -0.04 3.95 3.99 1iehA9 SER 25 HB3 0.06 0.00 0.03 -0.04 3.93 3.98 1iehA9 GLY 26 H 0.21 -0.11 0.23 -0.55 8.43 8.21 1iehA9 GLY 26 HA2 0.05 0.06 0.35 -0.51 4.01 3.96 1iehA9 GLY 26 HA3 -0.01 0.27 0.86 -0.51 4.01 4.62 1iehA9 PHE 27 H 0.49 -0.41 0.23 -0.55 8.34 8.09 1iehA9 PHE 27 HA -0.00 0.18 0.57 -0.75 4.62 4.61 1iehA9 PHE 27 HB2 -0.58 0.04 0.10 -0.04 3.15 2.68 1iehA9 PHE 27 HB3 -0.26 0.11 -0.27 -0.04 3.06 2.60 1iehA9 PHE 27 HD2 -0.57 -0.15 -0.05 -0.04 7.28 6.47 1iehA9 PHE 27 HE2 0.23 -0.02 -0.16 -0.04 7.38 7.40 1iehA9 PHE 27 HZ -0.20 -0.04 -0.21 -0.04 7.32 6.83 1iehA9 THR 28 H 0.30 -0.39 0.15 -0.55 8.28 7.79 1iehA9 THR 28 HA 0.08 -0.07 0.37 -0.75 4.39 4.02 1iehA9 THR 28 HB 0.02 0.31 0.06 -0.04 4.32 4.68 1iehA9 THR 28 HG23 0.04 0.02 -0.05 -0.04 1.22 1.18 1iehA9 PHE 29 H 0.18 0.04 -0.03 -0.55 8.34 7.98 1iehA9 PHE 29 HA -0.30 0.14 0.59 -0.75 4.62 4.30 1iehA9 PHE 29 HB2 -0.01 0.21 0.20 -0.04 3.15 3.52 1iehA9 PHE 29 HB3 0.01 0.02 0.21 -0.04 3.06 3.26 1iehA9 PHE 29 HD2 -0.02 -0.00 -0.18 -0.04 7.28 7.03 1iehA9 PHE 29 HE2 0.32 0.00 -0.32 -0.04 7.38 7.33 1iehA9 PHE 29 HZ 0.09 0.02 -0.29 -0.04 7.32 7.11 1iehA9 SER 30 H 0.09 0.18 0.14 -0.55 8.46 8.33 1iehA9 SER 30 HA 0.04 0.03 0.35 -0.75 4.49 4.16 1iehA9 SER 30 HB2 0.07 0.07 -0.22 -0.04 3.95 3.83 1iehA9 SER 30 HB3 0.04 0.00 0.22 -0.04 3.93 4.15 1iehA9 SER 31 H -0.06 -0.19 -0.90 -0.55 8.46 6.76 1iehA9 SER 31 HA -0.09 0.17 0.86 -0.75 4.49 4.68 1iehA9 SER 31 HB2 0.01 0.15 -0.08 -0.04 3.95 4.00 1iehA9 SER 31 HB3 -0.07 -0.03 0.06 -0.04 3.93 3.84 1iehA9 TYR 32 H -0.09 -0.21 0.02 -0.55 8.29 7.46 1iehA9 TYR 32 HA -0.24 0.26 0.87 -0.75 4.56 4.71 1iehA9 TYR 32 HB2 -0.38 0.02 0.01 -0.04 3.06 2.67 1iehA9 TYR 32 HB3 0.11 0.01 0.11 -0.04 2.98 3.17 1iehA9 TYR 32 HD2 0.00 0.06 -0.01 -0.04 7.15 7.15 1iehA9 TYR 32 HE2 0.10 0.02 0.03 -0.04 6.85 6.95 1iehA9 HIS 33 H 0.20 0.20 0.17 -0.55 8.41 8.43 1iehA9 HIS 33 HA 0.06 0.23 0.84 -0.75 4.63 5.01 1iehA9 HIS 33 HB2 0.18 0.13 0.08 -0.04 3.26 3.61 1iehA9 HIS 33 HB3 0.14 0.00 0.03 -0.04 3.20 3.34 1iehA9 HIS 33 HD2 0.07 0.02 -0.01 -0.04 6.97 7.00 1iehA9 HIS 33 HE1 0.01 0.02 -0.01 -0.04 7.75 7.72 1iehA9 MET 34 H 0.10 0.48 0.33 -0.55 8.47 8.84 1iehA9 MET 34 HA -0.02 0.18 0.97 -0.75 4.52 4.90 1iehA9 MET 34 HB2 -0.05 0.00 -0.04 -0.04 2.15 2.02 1iehA9 MET 34 HB3 -0.08 -0.01 -0.06 -0.04 2.03 1.84 1iehA9 MET 34 HG2 -0.33 -0.01 -0.65 -0.04 2.63 1.60 1iehA9 MET 34 HG3 -1.17 -0.05 -0.21 -0.04 2.56 1.09 1iehA9 MET 34 HE3 -0.15 0.04 -0.37 -0.04 2.10 1.57 1iehA9 ALA 35 H -0.07 0.57 0.29 -0.55 8.40 8.64 1iehA9 ALA 35 HA 0.17 0.06 0.61 -0.75 4.34 4.43 1iehA9 ALA 35 HB3 0.13 0.04 -0.03 -0.04 1.41 1.51 1iehA9 TRP 36 H 0.37 0.60 0.31 -0.55 7.97 8.71 1iehA9 TRP 36 HA 0.11 0.27 1.15 -0.75 4.62 5.40 1iehA9 TRP 36 HB2 0.04 -0.07 0.10 -0.04 3.23 3.26 1iehA9 TRP 36 HB3 0.13 0.06 0.01 -0.04 3.23 3.38 1iehA9 TRP 36 HD1 0.06 -0.04 -0.24 -0.04 7.22 6.95 1iehA9 TRP 36 HE1 0.08 -0.12 -0.36 -0.04 10.20 9.76 1iehA9 TRP 36 HE3 0.14 0.07 -0.05 -0.04 7.59 7.70 1iehA9 TRP 36 HZ2 -0.09 0.33 -0.45 -0.04 7.44 7.18 1iehA9 TRP 36 HZ3 -0.01 -0.03 -0.29 -0.04 7.13 6.75 1iehA9 TRP 36 HH2 -0.08 0.20 -0.46 -0.04 7.19 6.80 1iehA9 VAL 37 H 0.28 0.64 0.39 -0.55 8.24 9.01 1iehA9 VAL 37 HA 0.20 0.08 1.18 -0.75 4.13 4.83 1iehA9 VAL 37 HB 0.15 -0.00 -0.04 -0.04 2.12 2.19 1iehA9 VAL 37 HG13 0.21 -0.02 -0.41 -0.04 0.97 0.71 1iehA9 VAL 37 HG23 0.17 -0.03 -0.12 -0.04 0.95 0.93 1iehA9 ARG 38 H 0.07 0.67 0.42 -0.55 8.46 9.07 1iehA9 ARG 38 HA -0.35 0.36 0.93 -0.75 4.34 4.53 1iehA9 ARG 38 HB2 -0.96 0.01 -0.16 -0.04 1.90 0.74 1iehA9 ARG 38 HB3 -0.11 -0.05 -0.06 -0.04 1.80 1.53 1iehA9 ARG 38 HG2 -0.23 -0.04 -0.45 -0.04 1.67 0.91 1iehA9 ARG 38 HG3 -0.89 0.05 -0.25 -0.04 1.67 0.53 1iehA9 ARG 38 HD2 0.01 0.26 -0.21 -0.04 3.22 3.24 1iehA9 ARG 38 HD3 0.16 -0.06 -0.19 -0.04 3.22 3.09 1iehA9 GLN 39 H -0.17 0.59 0.16 -0.55 8.47 8.50 1iehA9 GLN 39 HA 0.02 0.05 0.80 -0.75 4.36 4.47 1iehA9 GLN 39 HB2 0.23 -0.01 -0.19 -0.04 2.15 2.14 1iehA9 GLN 39 HB3 0.10 -0.04 0.05 -0.04 2.02 2.09 1iehA9 GLN 39 HG2 0.04 -0.17 -0.54 -0.04 2.40 1.69 1iehA9 GLN 39 HG3 0.06 0.32 -0.50 -0.04 2.39 2.24 1iehA9 GLN 39 HE21 0.03 0.13 -0.42 -0.04 6.97 6.67 1iehA9 GLN 39 HE22 0.03 -0.23 -0.12 -0.04 7.69 7.33 1iehA9 ALA 40 H -0.00 0.09 -0.05 -0.55 8.40 7.89 1iehA9 ALA 40 HA 0.01 0.20 0.57 -0.75 4.34 4.37 1iehA9 ALA 40 HB3 0.01 0.03 -0.02 -0.04 1.41 1.39 1iehA9 PRO 41 HA 0.02 -0.03 0.36 -0.51 4.44 4.28 1iehA9 PRO 41 HB2 0.02 0.02 0.15 -0.04 2.28 2.43 1iehA9 PRO 41 HB3 0.02 0.01 0.09 -0.04 2.02 2.10 1iehA9 PRO 41 HG2 0.02 0.03 0.11 -0.04 2.03 2.15 1iehA9 PRO 41 HG3 0.02 0.02 0.10 -0.04 2.03 2.14 1iehA9 PRO 41 HD2 0.02 0.11 0.22 -0.04 3.68 3.99 1iehA9 PRO 41 HD3 0.03 0.19 0.31 -0.04 3.65 4.14 1iehA9 GLY 42 H 0.02 0.07 0.23 -0.55 8.43 8.20 1iehA9 GLY 42 HA2 0.01 -0.01 0.36 -0.51 4.01 3.86 1iehA9 GLY 42 HA3 0.01 0.13 0.75 -0.51 4.01 4.39 1iehA9 LYS 43 H 0.02 0.12 0.18 -0.55 8.42 8.18 1iehA9 LYS 43 HA 0.01 0.13 0.60 -0.75 4.32 4.32 1iehA9 LYS 43 HB2 0.02 0.20 -0.35 -0.04 1.87 1.69 1iehA9 LYS 43 HB3 0.02 -0.11 -0.04 -0.04 1.79 1.62 1iehA9 LYS 43 HG2 0.02 -0.15 0.14 -0.04 1.46 1.43 1iehA9 LYS 43 HG3 0.02 0.12 0.16 -0.04 1.46 1.71 1iehA9 LYS 43 HD2 0.01 -0.07 -0.08 -0.04 1.69 1.51 1iehA9 LYS 43 HD3 0.02 -0.02 -0.01 -0.04 1.68 1.63 1iehA9 LYS 43 HE2 0.01 -0.04 -0.03 -0.04 2.99 2.89 1iehA9 LYS 43 HE3 0.01 0.01 0.02 -0.04 2.99 2.99 1iehA9 GLY 44 H 0.02 0.08 0.19 -0.55 8.43 8.17 1iehA9 GLY 44 HA2 0.01 0.23 0.94 -0.51 4.01 4.68 1iehA9 GLY 44 HA3 0.00 0.03 0.33 -0.51 4.01 3.86 1iehA9 LEU 45 H 0.02 0.06 0.23 -0.55 8.37 8.14 1iehA9 LEU 45 HA 0.04 0.12 0.30 -0.75 4.35 4.06 1iehA9 LEU 45 HB2 -0.04 0.48 0.10 -0.04 1.64 2.14 1iehA9 LEU 45 HB3 0.00 -0.05 -0.22 -0.04 1.64 1.33 1iehA9 LEU 45 HG 0.05 -0.17 -0.11 -0.04 1.64 1.37 1iehA9 LEU 45 HD13 0.17 0.08 -0.32 -0.04 0.93 0.82 1iehA9 LEU 45 HD23 -0.22 0.01 -0.18 -0.04 0.89 0.46 1iehA9 GLU 46 H 0.07 0.21 0.21 -0.55 8.60 8.55 1iehA9 GLU 46 HA 0.12 0.10 0.65 -0.75 4.29 4.40 1iehA9 GLU 46 HB2 0.05 0.09 0.07 -0.04 2.09 2.26 1iehA9 GLU 46 HB3 0.03 0.08 -0.08 -0.04 1.99 1.98 1iehA9 GLU 46 HG2 0.01 -0.08 -0.22 -0.04 2.34 2.00 1iehA9 GLU 46 HG3 0.03 0.06 -0.71 -0.04 2.34 1.68 1iehA9 TRP 47 H 0.33 0.21 0.09 -0.55 7.97 8.06 1iehA9 TRP 47 HA 0.09 0.08 0.68 -0.75 4.62 4.72 1iehA9 TRP 47 HB2 0.15 -0.09 -0.04 -0.04 3.23 3.21 1iehA9 TRP 47 HB3 0.11 0.03 0.12 -0.04 3.23 3.45 1iehA9 TRP 47 HD1 0.03 0.02 -0.23 -0.04 7.22 6.99 1iehA9 TRP 47 HE1 -0.28 -0.01 -1.16 -0.04 10.20 8.71 1iehA9 TRP 47 HE3 0.10 0.00 -0.02 -0.04 7.59 7.63 1iehA9 TRP 47 HZ2 -0.02 0.20 -0.35 -0.04 7.44 7.23 1iehA9 TRP 47 HZ3 0.09 0.05 -0.12 -0.04 7.13 7.10 1iehA9 TRP 47 HH2 0.11 0.10 -0.36 -0.04 7.19 7.00 1iehA9 VAL 48 H -0.02 0.41 0.45 -0.55 8.24 8.53 1iehA9 VAL 48 HA -0.36 0.05 0.55 -0.75 4.13 3.61 1iehA9 VAL 48 HB 0.06 -0.04 -0.12 -0.04 2.12 1.98 1iehA9 VAL 48 HG13 0.13 0.01 -0.15 -0.04 0.97 0.92 1iehA9 VAL 48 HG23 0.27 0.07 -0.15 -0.04 0.95 1.09 1iehA9 SER 49 H -0.20 0.30 0.21 -0.55 8.46 8.22 1iehA9 SER 49 HA -0.90 0.23 1.04 -0.75 4.49 4.10 1iehA9 SER 49 HB2 -0.22 -0.06 -0.06 -0.04 3.95 3.57 1iehA9 SER 49 HB3 -1.43 0.08 0.03 -0.04 3.93 2.57 1iehA9 THR 50 H -0.04 0.54 0.34 -0.55 8.28 8.57 1iehA9 THR 50 HA 0.15 0.11 1.07 -0.75 4.39 4.96 1iehA9 THR 50 HB 0.54 0.13 0.01 -0.04 4.32 4.96 1iehA9 THR 50 HG23 -0.00 -0.02 -0.23 -0.04 1.22 0.93 1iehA9 ILE 51 H 0.05 0.67 0.37 -0.55 8.25 8.79 1iehA9 ILE 51 HA 0.11 0.22 0.99 -0.75 4.18 4.74 1iehA9 ILE 51 HB 0.13 -0.01 -0.23 -0.04 1.89 1.73 1iehA9 ILE 51 HG12 0.10 -0.06 -0.20 -0.04 1.49 1.29 1iehA9 ILE 51 HG13 0.09 0.04 0.00 -0.04 1.21 1.30 1iehA9 ILE 51 HG23 0.12 -0.03 -0.03 -0.04 0.93 0.94 1iehA9 ILE 51 HD13 0.11 0.02 -0.06 -0.04 0.88 0.91 1iehA9 ASN 52 H 0.12 0.40 0.12 -0.55 8.53 8.62 1iehA9 ASN 52 HA 0.20 0.19 0.98 -0.75 4.76 5.38 1iehA9 ASN 52 HB2 0.28 -0.03 -0.10 -0.04 2.88 2.98 1iehA9 ASN 52 HB3 0.22 0.03 0.14 -0.04 2.79 3.15 1iehA9 ASN 52 HD21 0.19 -0.11 -0.03 -0.04 7.03 7.04 1iehA9 ASN 52 HD22 0.14 0.05 -0.07 -0.04 7.74 7.81 1iehA9 PRO 53 HA 0.05 0.01 0.40 -0.51 4.44 4.39 1iehA9 PRO 53 HB2 -0.00 0.12 -0.04 -0.04 2.28 2.32 1iehA9 PRO 53 HB3 0.02 -0.04 0.04 -0.04 2.02 2.00 1iehA9 PRO 53 HG2 -0.06 0.07 -0.20 -0.04 2.03 1.80 1iehA9 PRO 53 HG3 -0.06 0.10 -0.23 -0.04 2.03 1.80 1iehA9 PRO 53 HD2 0.09 0.10 0.13 -0.04 3.68 3.95 1iehA9 PRO 53 HD3 0.05 0.12 0.03 -0.04 3.65 3.81 1iehA9 GLY 54 H 0.02 0.15 0.13 -0.55 8.43 8.19 1iehA9 GLY 54 HA2 0.02 0.03 0.34 -0.51 4.01 3.89 1iehA9 GLY 54 HA3 0.02 0.17 0.53 -0.51 4.01 4.22 1iehA9 ASP 55 H 0.04 -0.01 -0.36 -0.55 8.40 7.52 1iehA9 ASP 55 HA 0.03 0.13 0.56 -0.75 4.63 4.59 1iehA9 ASP 55 HB2 0.05 0.13 -0.37 -0.04 2.71 2.47 1iehA9 ASP 55 HB3 0.05 -0.23 0.07 -0.04 2.70 2.56 1iehA9 GLY 56 H 0.05 0.39 0.20 -0.55 8.43 8.52 1iehA9 GLY 56 HA2 0.03 -0.01 0.32 -0.51 4.01 3.85 1iehA9 GLY 56 HA3 0.02 0.23 0.93 -0.51 4.01 4.68 1iehA9 SER 57 H 0.02 -0.01 0.07 -0.55 8.46 8.00 1iehA9 SER 57 HA -0.11 0.05 0.43 -0.75 4.49 4.10 1iehA9 SER 57 HB2 0.05 -0.01 0.12 -0.04 3.95 4.07 1iehA9 SER 57 HB3 -0.31 0.04 -0.05 -0.04 3.93 3.57 1iehA9 THR 58 H -0.24 0.16 0.26 -0.55 8.28 7.92 1iehA9 THR 58 HA -0.08 0.19 1.05 -0.75 4.39 4.80 1iehA9 THR 58 HB 0.24 -0.09 0.02 -0.04 4.32 4.46 1iehA9 THR 58 HG23 0.12 0.05 0.15 -0.04 1.22 1.50 1iehA9 TYR 59 H 0.21 0.38 0.20 -0.55 8.29 8.53 1iehA9 TYR 59 HA 0.27 0.16 1.00 -0.75 4.56 5.24 1iehA9 TYR 59 HB2 0.32 -0.04 -0.01 -0.04 3.06 3.30 1iehA9 TYR 59 HB3 0.28 0.07 0.04 -0.04 2.98 3.33 1iehA9 TYR 59 HD2 0.10 -0.00 -0.12 -0.04 7.15 7.09 1iehA9 TYR 59 HE2 0.06 0.03 -0.14 -0.04 6.85 6.76 1iehA9 TYR 60 H 0.40 0.17 0.21 -0.55 8.29 8.53 1iehA9 TYR 60 HA -0.36 0.29 1.07 -0.75 4.56 4.80 1iehA9 TYR 60 HB2 -0.07 -0.01 0.11 -0.04 3.06 3.05 1iehA9 TYR 60 HB3 -0.23 -0.12 0.09 -0.04 2.98 2.69 1iehA9 TYR 60 HD2 -0.06 -0.08 -0.47 -0.04 7.15 6.49 1iehA9 TYR 60 HE2 0.01 0.14 -0.08 -0.04 6.85 6.87 1iehA9 ALA 61 H -0.55 0.53 0.26 -0.55 8.40 8.10 1iehA9 ALA 61 HA -0.16 0.17 0.52 -0.75 4.34 4.12 1iehA9 ALA 61 HB3 -0.31 0.04 0.21 -0.04 1.41 1.31 1iehA9 ASP 62 H 0.00 -0.00 -0.87 -0.55 8.40 6.98 1iehA9 ASP 62 HA 0.01 0.03 0.36 -0.75 4.63 4.28 1iehA9 ASP 62 HB2 0.06 0.04 -0.34 -0.04 2.71 2.43 1iehA9 ASP 62 HB3 0.01 0.10 0.21 -0.04 2.70 2.98 1iehA9 SER 63 H -0.05 0.57 -0.77 -0.55 8.46 7.66 1iehA9 SER 63 HA -0.06 0.21 0.63 -0.75 4.49 4.51 1iehA9 SER 63 HB2 -0.03 0.09 0.10 -0.04 3.95 4.06 1iehA9 SER 63 HB3 -0.07 -0.01 0.06 -0.04 3.93 3.87 1iehA9 VAL 64 H -0.08 -0.18 -0.68 -0.55 8.24 6.75 1iehA9 VAL 64 HA -0.26 0.26 0.68 -0.75 4.13 4.05 1iehA9 VAL 64 HB -0.11 -0.07 0.00 -0.04 2.12 1.90 1iehA9 VAL 64 HG13 -0.29 0.09 -0.15 -0.04 0.97 0.58 1iehA9 VAL 64 HG23 -0.16 -0.00 0.01 -0.04 0.95 0.75 1iehA9 LYS 65 H -0.09 -0.04 -0.14 -0.55 8.42 7.59 1iehA9 LYS 65 HA -0.72 0.06 0.50 -0.75 4.32 3.41 1iehA9 LYS 65 HB2 -0.14 -0.15 0.14 -0.04 1.87 1.68 1iehA9 LYS 65 HB3 -0.15 0.14 0.09 -0.04 1.79 1.82 1iehA9 LYS 65 HG2 -0.18 0.06 0.01 -0.04 1.46 1.31 1iehA9 LYS 65 HG3 -0.43 -0.02 0.07 -0.04 1.46 1.05 1iehA9 LYS 65 HD2 -0.63 0.05 0.04 -0.04 1.69 1.10 1iehA9 LYS 65 HD3 -0.23 -0.17 0.07 -0.04 1.68 1.32 1iehA9 LYS 65 HE2 0.04 -0.02 0.11 -0.04 2.99 3.07 1iehA9 LYS 65 HE3 -0.05 0.02 0.07 -0.04 2.99 2.99 1iehA9 GLY 66 H -0.43 0.17 0.17 -0.55 8.43 7.80 1iehA9 GLY 66 HA2 -0.14 0.02 0.30 -0.51 4.01 3.68 1iehA9 GLY 66 HA3 -0.13 0.11 0.42 -0.51 4.01 3.90 1iehA9 ARG 67 H -0.15 0.13 -0.80 -0.55 8.46 7.09 1iehA9 ARG 67 HA -0.05 0.18 0.66 -0.75 4.34 4.37 1iehA9 ARG 67 HB2 -0.22 -0.01 -0.25 -0.04 1.90 1.38 1iehA9 ARG 67 HB3 -0.49 -0.10 0.12 -0.04 1.80 1.29 1iehA9 ARG 67 HG2 -0.51 -0.09 -0.06 -0.04 1.67 0.97 1iehA9 ARG 67 HG3 -0.21 0.09 -0.11 -0.04 1.67 1.40 1iehA9 ARG 67 HD2 -0.08 0.05 0.01 -0.04 3.22 3.16 1iehA9 ARG 67 HD3 -0.08 0.04 -0.03 -0.04 3.22 3.11 1iehA9 PHE 68 H 0.02 0.35 0.17 -0.55 8.34 8.33 1iehA9 PHE 68 HA -0.02 0.26 0.91 -0.75 4.62 5.02 1iehA9 PHE 68 HB2 0.09 -0.03 -0.05 -0.04 3.15 3.11 1iehA9 PHE 68 HB3 -0.05 -0.06 -0.12 -0.04 3.06 2.79 1iehA9 PHE 68 HD2 0.04 0.06 -0.29 -0.04 7.28 7.05 1iehA9 PHE 68 HE2 0.18 0.03 -0.19 -0.04 7.38 7.37 1iehA9 PHE 68 HZ 0.16 -0.03 -0.16 -0.04 7.32 7.25 1iehA9 THR 69 H 0.05 0.29 0.12 -0.55 8.28 8.19 1iehA9 THR 69 HA 0.19 0.17 0.96 -0.75 4.39 4.96 1iehA9 THR 69 HB -0.01 -0.08 0.22 -0.04 4.32 4.41 1iehA9 THR 69 HG23 0.03 0.01 -0.23 -0.04 1.22 0.98 1iehA9 ILE 70 H 0.21 0.21 0.07 -0.55 8.25 8.19 1iehA9 ILE 70 HA -0.06 0.28 0.98 -0.75 4.18 4.62 1iehA9 ILE 70 HB -0.05 -0.09 -0.09 -0.04 1.89 1.62 1iehA9 ILE 70 HG12 0.27 0.11 -0.16 -0.04 1.49 1.67 1iehA9 ILE 70 HG13 0.44 -0.08 -0.15 -0.04 1.21 1.37 1iehA9 ILE 70 HG23 -0.01 -0.01 -0.04 -0.04 0.93 0.84 1iehA9 ILE 70 HD13 0.18 -0.01 -0.47 -0.04 0.88 0.54 1iehA9 SER 71 H 0.10 0.79 0.38 -0.55 8.46 9.19 1iehA9 SER 71 HA 0.13 0.08 0.57 -0.75 4.49 4.51 1iehA9 SER 71 HB2 0.06 0.10 -0.15 -0.04 3.95 3.92 1iehA9 SER 71 HB3 0.05 -0.01 -0.14 -0.04 3.93 3.79 1iehA9 ARG 72 H 0.14 0.24 0.20 -0.55 8.46 8.49 1iehA9 ARG 72 HA 0.35 0.11 0.81 -0.75 4.34 4.86 1iehA9 ARG 72 HB2 0.32 0.14 0.29 -0.04 1.90 2.61 1iehA9 ARG 72 HB3 0.40 -0.04 0.18 -0.04 1.80 2.31 1iehA9 ARG 72 HG2 0.20 -0.11 -0.08 -0.04 1.67 1.64 1iehA9 ARG 72 HG3 0.18 0.06 -0.06 -0.04 1.67 1.81 1iehA9 ARG 72 HD2 0.42 0.01 0.01 -0.04 3.22 3.62 1iehA9 ARG 72 HD3 0.22 -0.04 -0.11 -0.04 3.22 3.25 1iehA9 ASP 73 H 0.20 0.21 0.19 -0.55 8.40 8.45 1iehA9 ASP 73 HA 0.05 0.20 0.87 -0.75 4.63 5.00 1iehA9 ASP 73 HB2 0.07 -0.03 0.03 -0.04 2.71 2.73 1iehA9 ASP 73 HB3 0.05 0.12 -0.01 -0.04 2.70 2.82 1iehA9 ASN 74 H 0.04 0.16 0.16 -0.55 8.53 8.34 1iehA9 ASN 74 HA 0.06 0.16 0.88 -0.75 4.76 5.11 1iehA9 ASN 74 HB2 0.03 0.05 -0.03 -0.04 2.88 2.88 1iehA9 ASN 74 HB3 0.03 0.03 0.10 -0.04 2.79 2.92 1iehA9 ASN 74 HD21 0.02 0.02 0.06 -0.04 7.03 7.08 1iehA9 ASN 74 HD22 0.02 0.04 0.04 -0.04 7.74 7.80 1iehA9 ALA 75 H 0.04 0.19 0.12 -0.55 8.40 8.20 1iehA9 ALA 75 HA 0.03 0.04 0.30 -0.75 4.34 3.96 1iehA9 ALA 75 HB3 0.02 0.04 -0.01 -0.04 1.41 1.43 1iehA9 LYS 76 H 0.05 0.13 -0.42 -0.55 8.42 7.62 1iehA9 LYS 76 HA 0.00 0.09 0.55 -0.75 4.32 4.21 1iehA9 LYS 76 HB2 0.03 0.16 -0.45 -0.04 1.87 1.57 1iehA9 LYS 76 HB3 0.02 -0.07 -0.22 -0.04 1.79 1.47 1iehA9 LYS 76 HG2 -0.01 -0.05 -0.02 -0.04 1.46 1.33 1iehA9 LYS 76 HG3 0.01 0.13 0.11 -0.04 1.46 1.66 1iehA9 LYS 76 HD2 0.03 0.04 -0.07 -0.04 1.69 1.64 1iehA9 LYS 76 HD3 0.05 -0.05 -0.10 -0.04 1.68 1.55 1iehA9 LYS 76 HE2 0.03 -0.01 -0.03 -0.04 2.99 2.94 1iehA9 LYS 76 HE3 0.02 -0.01 -0.01 -0.04 2.99 2.94 1iehA9 ASN 77 H -0.07 0.25 0.10 -0.55 8.53 8.26 1iehA9 ASN 77 HA -0.49 0.02 0.72 -0.75 4.76 4.25 1iehA9 ASN 77 HB2 -0.16 0.01 0.23 -0.04 2.88 2.92 1iehA9 ASN 77 HB3 0.11 -0.20 0.10 -0.04 2.79 2.77 1iehA9 ASN 77 HD21 0.11 -0.24 0.14 -0.04 7.03 7.00 1iehA9 ASN 77 HD22 0.05 0.07 0.15 -0.04 7.74 7.96 1iehA9 THR 78 H -0.65 0.40 0.15 -0.55 8.28 7.63 1iehA9 THR 78 HA -0.46 0.48 0.97 -0.75 4.39 4.63 1iehA9 THR 78 HB 0.15 -0.04 -0.12 -0.04 4.32 4.27 1iehA9 THR 78 HG23 -0.15 0.04 0.05 -0.04 1.22 1.12 1iehA9 LEU 79 H -0.06 0.55 0.38 -0.55 8.37 8.70 1iehA9 LEU 79 HA 0.47 0.18 0.98 -0.75 4.35 5.23 1iehA9 LEU 79 HB2 0.39 -0.04 -0.05 -0.04 1.64 1.89 1iehA9 LEU 79 HB3 0.80 -0.00 -0.14 -0.04 1.64 2.25 1iehA9 LEU 79 HG 0.53 -0.00 -0.16 -0.04 1.64 1.97 1iehA9 LEU 79 HD13 -0.14 -0.03 -0.23 -0.04 0.93 0.48 1iehA9 LEU 79 HD23 0.60 0.01 -0.13 -0.04 0.89 1.32 1iehA9 TYR 80 H 0.45 0.64 0.38 -0.55 8.29 9.21 1iehA9 TYR 80 HA -0.01 0.33 1.19 -0.75 4.56 5.32 1iehA9 TYR 80 HB2 0.02 0.08 0.06 -0.04 3.06 3.17 1iehA9 TYR 80 HB3 -0.07 0.01 -0.03 -0.04 2.98 2.85 1iehA9 TYR 80 HD2 0.03 0.03 -0.17 -0.04 7.15 7.01 1iehA9 TYR 80 HE2 0.01 -0.01 -0.13 -0.04 6.85 6.68 1iehA9 LEU 81 H -0.48 0.68 0.32 -0.55 8.37 8.35 1iehA9 LEU 81 HA -0.36 0.61 1.15 -0.75 4.35 4.99 1iehA9 LEU 81 HB2 -1.85 -0.05 -0.20 -0.04 1.64 -0.50 1iehA9 LEU 81 HB3 -1.16 -0.06 0.00 -0.04 1.64 0.38 1iehA9 LEU 81 HG -0.38 -0.04 -0.26 -0.04 1.64 0.92 1iehA9 LEU 81 HD13 -0.18 -0.05 -0.35 -0.04 0.93 0.31 1iehA9 LEU 81 HD23 -0.58 -0.01 -0.19 -0.04 0.89 0.06 1iehA9 GLN 82 H -0.17 0.56 0.31 -0.55 8.47 8.63 1iehA9 GLN 82 HA -0.19 0.36 1.11 -0.75 4.36 4.88 1iehA9 GLN 82 HB2 -0.08 -0.00 0.04 -0.04 2.15 2.07 1iehA9 GLN 82 HB3 -0.05 -0.05 0.18 -0.04 2.02 2.06 1iehA9 GLN 82 HG2 -0.05 -0.01 -0.07 -0.04 2.40 2.22 1iehA9 GLN 82 HG3 -0.07 0.04 -0.16 -0.04 2.39 2.15 1iehA9 GLN 82 HE21 -0.07 -0.04 -0.33 -0.04 6.97 6.48 1iehA9 GLN 82 HE22 -0.06 -0.04 -0.30 -0.04 7.69 7.25 1iehA9 MET 83 H -0.30 0.49 0.17 -0.55 8.47 8.28 1iehA9 MET 83 HA -0.27 0.07 0.61 -0.75 4.52 4.18 1iehA9 MET 83 HB2 -0.38 -0.05 0.13 -0.04 2.15 1.80 1iehA9 MET 83 HB3 -0.32 -0.01 -0.07 -0.04 2.03 1.59 1iehA9 MET 83 HG2 -2.17 0.03 -0.12 -0.04 2.63 0.33 1iehA9 MET 83 HG3 -0.97 -0.03 -0.17 -0.04 2.56 1.34 1iehA9 MET 83 HE3 -1.41 -0.01 -0.11 -0.04 2.10 0.53 1iehA9 ASN 84 H 0.16 0.46 0.30 -0.55 8.53 8.91 1iehA9 ASN 84 HA 0.01 0.14 0.84 -0.75 4.76 5.00 1iehA9 ASN 84 HB2 0.02 0.11 -0.00 -0.04 2.88 2.97 1iehA9 ASN 84 HB3 0.00 0.02 0.10 -0.04 2.79 2.87 1iehA9 ASN 84 HD21 0.03 -0.10 -0.06 -0.04 7.03 6.86 1iehA9 ASN 84 HD22 0.08 0.49 0.01 -0.04 7.74 8.28 1iehA9 SER 85 H 0.02 0.20 0.13 -0.55 8.46 8.26 1iehA9 SER 85 HA 0.01 0.04 0.35 -0.75 4.49 4.13 1iehA9 SER 85 HB2 0.01 0.19 -0.25 -0.04 3.95 3.86 1iehA9 SER 85 HB3 -0.01 -0.05 0.22 -0.04 3.93 4.06 1iehA9 LEU 86 H 0.03 -0.04 -0.18 -0.55 8.37 7.65 1iehA9 LEU 86 HA 0.10 0.09 0.28 -0.75 4.35 4.06 1iehA9 LEU 86 HB2 0.02 -0.18 -0.18 -0.04 1.64 1.27 1iehA9 LEU 86 HB3 0.04 -0.04 -0.21 -0.04 1.64 1.39 1iehA9 LEU 86 HG 0.00 -0.00 -0.25 -0.04 1.64 1.34 1iehA9 LEU 86 HD13 0.09 0.03 -0.45 -0.04 0.93 0.56 1iehA9 LEU 86 HD23 0.00 0.03 -0.15 -0.04 0.89 0.74 1iehA9 LYS 87 H 0.06 -0.11 0.07 -0.55 8.42 7.89 1iehA9 LYS 87 HA 0.02 0.17 0.65 -0.75 4.32 4.40 1iehA9 LYS 87 HB2 0.01 0.04 0.01 -0.04 1.87 1.88 1iehA9 LYS 87 HB3 0.01 0.20 -0.15 -0.04 1.79 1.81 1iehA9 LYS 87 HG2 0.03 -0.56 0.18 -0.04 1.46 1.07 1iehA9 LYS 87 HG3 0.01 0.05 -0.01 -0.04 1.46 1.47 1iehA9 LYS 87 HD2 -0.00 0.16 -0.16 -0.04 1.69 1.65 1iehA9 LYS 87 HD3 0.00 0.03 -0.01 -0.04 1.68 1.67 1iehA9 LYS 87 HE2 -0.04 0.09 -0.03 -0.04 2.99 2.97 1iehA9 LYS 87 HE3 -0.03 -0.05 -0.01 -0.04 2.99 2.86 1iehA9 SER 88 H 0.05 -0.07 0.17 -0.55 8.46 8.05 1iehA9 SER 88 HA 0.04 0.14 0.48 -0.75 4.49 4.39 1iehA9 SER 88 HB2 0.02 0.13 -0.35 -0.04 3.95 3.71 1iehA9 SER 88 HB3 0.02 0.01 -0.02 -0.04 3.93 3.90 1iehA9 GLU 89 H 0.04 0.16 0.15 -0.55 8.60 8.39 1iehA9 GLU 89 HA 0.05 0.19 0.35 -0.75 4.29 4.12 1iehA9 GLU 89 HB2 0.02 0.07 0.06 -0.04 2.09 2.20 1iehA9 GLU 89 HB3 0.01 0.01 0.12 -0.04 1.99 2.09 1iehA9 GLU 89 HG2 0.02 -0.15 -0.04 -0.04 2.34 2.13 1iehA9 GLU 89 HG3 0.06 0.04 -0.44 -0.04 2.34 1.96 1iehA9 ASP 90 H 0.13 -0.23 -0.53 -0.55 8.40 7.22 1iehA9 ASP 90 HA 0.50 0.10 0.23 -0.75 4.63 4.70 1iehA9 ASP 90 HB2 0.11 0.05 -0.28 -0.04 2.71 2.54 1iehA9 ASP 90 HB3 0.29 0.07 -0.11 -0.04 2.70 2.91 1iehA9 THR 91 H 0.10 0.26 -0.36 -0.55 8.28 7.74 1iehA9 THR 91 HA 0.10 0.07 0.33 -0.75 4.39 4.13 1iehA9 THR 91 HB 0.05 0.12 0.24 -0.04 4.32 4.70 1iehA9 THR 91 HG23 0.04 -0.03 0.07 -0.04 1.22 1.25 1iehA9 ALA 92 H 0.20 0.43 0.43 -0.55 8.40 8.91 1iehA9 ALA 92 HA 0.04 0.03 0.42 -0.75 4.34 4.08 1iehA9 ALA 92 HB3 -0.06 0.09 -0.41 -0.04 1.41 0.99 1iehA9 VAL 93 H -0.03 0.49 0.24 -0.55 8.24 8.39 1iehA9 VAL 93 HA 0.01 0.28 0.98 -0.75 4.13 4.65 1iehA9 VAL 93 HB 0.01 -0.04 0.08 -0.04 2.12 2.13 1iehA9 VAL 93 HG13 -0.33 0.06 -0.24 -0.04 0.97 0.42 1iehA9 VAL 93 HG23 0.03 0.01 -0.01 -0.04 0.95 0.94 1iehA9 TYR 94 H 0.03 0.55 0.39 -0.55 8.29 8.70 1iehA9 TYR 94 HA 0.01 0.32 1.14 -0.75 4.56 5.27 1iehA9 TYR 94 HB2 0.08 -0.08 0.07 -0.04 3.06 3.09 1iehA9 TYR 94 HB3 0.39 -0.00 0.09 -0.04 2.98 3.42 1iehA9 TYR 94 HD2 0.05 0.03 -0.09 -0.04 7.15 7.10 1iehA9 TYR 94 HE2 0.07 0.09 -0.08 -0.04 6.85 6.89 1iehA9 TYR 95 H 0.31 0.56 0.33 -0.55 8.29 8.94 1iehA9 TYR 95 HA -0.12 0.05 0.76 -0.75 4.56 4.50 1iehA9 TYR 95 HB2 -0.12 -0.06 -0.13 -0.04 3.06 2.71 1iehA9 TYR 95 HB3 -0.15 0.05 0.03 -0.04 2.98 2.87 1iehA9 TYR 95 HD2 -0.01 0.06 -0.19 -0.04 7.15 6.97 1iehA9 TYR 95 HE2 -0.00 0.06 -0.24 -0.04 6.85 6.63 1iehA9 CYS 96 H -0.35 0.19 0.05 -0.55 8.50 7.85 1iehA9 CYS 96 HA -0.85 0.31 1.02 -0.75 4.58 4.30 1iehA9 CYS 96 HB2 -2.46 0.06 -0.10 -0.04 2.97 0.44 1iehA9 CYS 96 HB3 -1.30 -0.07 -0.07 -0.04 2.97 1.49 1iehA9 ALA 97 H -0.39 0.49 0.21 -0.55 8.40 8.17 1iehA9 ALA 97 HA -1.09 0.22 0.91 -0.75 4.34 3.62 1iehA9 ALA 97 HB3 -1.00 0.02 0.05 -0.04 1.41 0.43 1iehA9 LYS 98 H -1.51 0.11 0.14 -0.55 8.42 6.61 1iehA9 LYS 98 HA -0.01 0.19 0.85 -0.75 4.32 4.61 1iehA9 LYS 98 HB2 0.42 -0.03 0.10 -0.04 1.87 2.31 1iehA9 LYS 98 HB3 0.53 -0.09 0.14 -0.04 1.79 2.34 1iehA9 LYS 98 HG2 0.28 0.29 -0.28 -0.04 1.46 1.71 1iehA9 LYS 98 HG3 0.44 -0.06 0.15 -0.04 1.46 1.95 1iehA9 LYS 98 HD2 0.35 -0.02 0.02 -0.04 1.69 2.00 1iehA9 LYS 98 HD3 0.24 -0.08 -0.01 -0.04 1.68 1.79 1iehA9 LYS 98 HE2 0.31 -0.13 -0.12 -0.04 2.99 3.02 1iehA9 LYS 98 HE3 0.23 0.24 -0.11 -0.04 2.99 3.31 1iehA9 TYR 99 H 0.23 0.27 -0.35 -0.55 8.29 7.89 1iehA9 TYR 99 HA -0.10 0.09 0.42 -0.75 4.56 4.22 1iehA9 TYR 99 HB2 -0.00 0.01 -0.23 -0.04 3.06 2.79 1iehA9 TYR 99 HB3 -0.08 0.09 -0.23 -0.04 2.98 2.72 1iehA9 TYR 99 HD2 -0.23 0.06 -0.33 -0.04 7.15 6.60 1iehA9 TYR 99 HE2 -0.68 0.04 -0.28 -0.04 6.85 5.88 1iehA9 SER 100 H -0.57 -0.04 0.07 -0.55 8.46 7.37 1iehA9 SER 100 HA -0.00 0.26 0.92 -0.75 4.49 4.92 1iehA9 SER 100 HB2 -0.22 -0.00 0.14 -0.04 3.95 3.83 1iehA9 SER 100 HB3 -0.12 0.04 0.01 -0.04 3.93 3.82 1iehA9 GLY 101 H -0.38 -0.13 0.23 -0.55 8.43 7.60 1iehA9 GLY 101 HA2 -0.19 0.26 0.81 -0.51 4.01 4.38 1iehA9 GLY 101 HA3 -0.17 0.08 0.26 -0.51 4.01 3.67 1iehA9 GLY 102 H -0.56 -0.27 0.22 -0.55 8.43 7.28 1iehA9 GLY 102 HA2 -0.29 0.08 0.25 -0.51 4.01 3.54 1iehA9 GLY 102 HA3 -0.25 0.16 0.44 -0.51 4.01 3.85 1iehA9 ALA 103 H -1.19 -0.12 0.17 -0.55 8.40 6.72 1iehA9 ALA 103 HA -0.39 0.08 0.44 -0.75 4.34 3.72 1iehA9 ALA 103 HB3 -0.20 0.04 -0.14 -0.04 1.41 1.07 1iehA9 LEU 104 H -0.07 0.13 0.04 -0.55 8.37 7.93 1iehA9 LEU 104 HA -0.15 0.18 0.60 -0.75 4.35 4.22 1iehA9 LEU 104 HB2 0.23 -0.01 -0.14 -0.04 1.64 1.68 1iehA9 LEU 104 HB3 0.04 0.04 -0.21 -0.04 1.64 1.48 1iehA9 LEU 104 HG -0.22 -0.25 -0.11 -0.04 1.64 1.03 1iehA9 LEU 104 HD13 -0.01 0.00 -0.57 -0.04 0.93 0.31 1iehA9 LEU 104 HD23 0.01 0.06 -0.24 -0.04 0.89 0.68 1iehA9 ASP 105 H -0.17 0.10 0.07 -0.55 8.40 7.86 1iehA9 ASP 105 HA -0.04 0.22 0.76 -0.75 4.63 4.82 1iehA9 ASP 105 HB2 0.09 0.00 -0.00 -0.04 2.71 2.76 1iehA9 ASP 105 HB3 0.28 -0.03 -0.08 -0.04 2.70 2.83 1iehA9 ALA 106 H -0.45 -0.15 -0.04 -0.55 8.40 7.22 1iehA9 ALA 106 HA -0.47 -0.18 0.23 -0.75 4.34 3.17 1iehA9 ALA 106 HB3 -0.29 0.08 -0.15 -0.04 1.41 1.01 1iehA9 TRP 107 H -0.36 -0.04 -0.04 -0.55 7.97 6.99 1iehA9 TRP 107 HA -0.09 0.33 0.92 -0.75 4.62 5.03 1iehA9 TRP 107 HB2 -0.08 -0.25 0.08 -0.04 3.23 2.94 1iehA9 TRP 107 HB3 -0.09 0.09 0.03 -0.04 3.23 3.22 1iehA9 TRP 107 HD1 -0.10 0.28 -0.51 -0.04 7.22 6.84 1iehA9 TRP 107 HE1 -0.11 0.03 -0.10 -0.04 10.20 9.98 1iehA9 TRP 107 HE3 -0.15 0.11 -0.17 -0.04 7.59 7.35 1iehA9 TRP 107 HZ2 -0.17 0.14 0.03 -0.04 7.44 7.40 1iehA9 TRP 107 HZ3 -0.47 0.07 -0.07 -0.04 7.13 6.63 1iehA9 TRP 107 HH2 -0.56 0.08 0.01 -0.04 7.19 6.68 1iehA9 GLY 108 H 0.25 -0.02 0.03 -0.55 8.43 8.14 1iehA9 GLY 108 HA2 0.10 0.32 0.80 -0.51 4.01 4.72 1iehA9 GLY 108 HA3 0.11 -0.01 0.50 -0.51 4.01 4.10 1iehA9 GLN 109 H 0.09 0.37 0.17 -0.55 8.47 8.55 1iehA9 GLN 109 HA 0.06 -0.04 0.39 -0.75 4.36 4.02 1iehA9 GLN 109 HB2 0.18 0.34 0.43 -0.04 2.15 3.06 1iehA9 GLN 109 HB3 0.02 -0.02 0.36 -0.04 2.02 2.35 1iehA9 GLN 109 HG2 -0.02 0.00 0.02 -0.04 2.40 2.36 1iehA9 GLN 109 HG3 0.04 -0.08 -0.55 -0.04 2.39 1.76 1iehA9 GLN 109 HE21 -0.18 -0.05 -0.02 -0.04 6.97 6.67 1iehA9 GLN 109 HE22 -0.37 0.26 0.24 -0.04 7.69 7.78 1iehA9 GLY 110 H -0.00 0.05 0.30 -0.55 8.43 8.22 1iehA9 GLY 110 HA2 -0.21 0.05 0.28 -0.51 4.01 3.62 1iehA9 GLY 110 HA3 0.11 0.23 0.91 -0.51 4.01 4.74 1iehA9 THR 111 H -0.19 0.31 0.31 -0.55 8.28 8.16 1iehA9 THR 111 HA -0.01 0.14 0.73 -0.75 4.39 4.50 1iehA9 THR 111 HB 0.04 0.07 -0.08 -0.04 4.32 4.31 1iehA9 THR 111 HG23 0.10 0.09 0.07 -0.04 1.22 1.44 1iehA9 GLN 112 H 0.00 0.18 0.24 -0.55 8.47 8.34 1iehA9 GLN 112 HA 0.02 0.12 0.73 -0.75 4.36 4.48 1iehA9 GLN 112 HB2 0.01 0.04 0.03 -0.04 2.15 2.20 1iehA9 GLN 112 HB3 0.01 -0.01 0.21 -0.04 2.02 2.19 1iehA9 GLN 112 HG2 0.01 -0.01 -0.07 -0.04 2.40 2.30 1iehA9 GLN 112 HG3 0.02 -0.01 -0.39 -0.04 2.39 1.97 1iehA9 GLN 112 HE21 0.03 0.01 -0.16 -0.04 6.97 6.81 1iehA9 GLN 112 HE22 0.02 -0.05 -0.26 -0.04 7.69 7.35 1iehA9 VAL 113 H 0.10 0.54 0.26 -0.55 8.24 8.59 1iehA9 VAL 113 HA -0.02 0.14 0.86 -0.75 4.13 4.36 1iehA9 VAL 113 HB 0.18 0.26 0.25 -0.04 2.12 2.77 1iehA9 VAL 113 HG13 -0.13 0.00 -0.15 -0.04 0.97 0.65 1iehA9 VAL 113 HG23 -0.22 -0.06 -0.14 -0.04 0.95 0.48 1iehA9 THR 114 H -0.01 0.58 0.21 -0.55 8.28 8.51 1iehA9 THR 114 HA 0.04 0.11 0.90 -0.75 4.39 4.68 1iehA9 THR 114 HB 0.01 0.00 -0.06 -0.04 4.32 4.23 1iehA9 THR 114 HG23 0.02 -0.02 -0.11 -0.04 1.22 1.07 1iehA9 VAL 115 H 0.03 0.22 0.10 -0.55 8.24 8.03 1iehA9 VAL 115 HA 0.00 0.13 0.97 -0.75 4.13 4.48 1iehA9 VAL 115 HB 0.03 0.02 0.06 -0.04 2.12 2.18 1iehA9 VAL 115 HG13 0.01 -0.01 -0.47 -0.04 0.97 0.46 1iehA9 VAL 115 HG23 0.03 -0.01 -0.37 -0.04 0.95 0.56 1iehA9 SER 116 H 0.00 0.42 0.17 -0.55 8.46 8.50 1iehA9 SER 116 HA 0.01 0.08 0.63 -0.75 4.49 4.45 1iehA9 SER 116 HB2 -0.00 -0.03 0.10 -0.04 3.95 3.98 1iehA9 SER 116 HB3 -0.00 0.02 0.17 -0.04 3.93 4.08 1iehA9 SER 117 H 0.01 0.32 0.13 -0.55 8.46 8.38 1iehA9 SER 117 HA 0.00 0.10 0.57 -0.75 4.49 4.41 1iehA9 SER 117 HB2 0.01 -0.10 0.09 -0.04 3.95 3.90 1iehA9 SER 117 HB3 0.01 0.01 0.08 -0.04 3.93 3.99 1iehA9 GLN 118 H 0.00 0.05 0.10 -0.55 8.47 8.08 1iehA9 GLN 118 HA 0.00 0.23 0.88 -0.75 4.36 4.72 1iehA9 GLN 118 HB2 0.00 -0.09 0.12 -0.04 2.15 2.14 1iehA9 GLN 118 HB3 0.00 0.04 -0.04 -0.04 2.02 1.98 1iehA9 GLN 118 HG2 0.00 -0.12 -0.26 -0.04 2.40 1.98 1iehA9 GLN 118 HG3 -0.00 0.02 -0.05 -0.04 2.39 2.31 1iehA9 GLN 118 HE21 -0.00 -0.02 -0.09 -0.04 6.97 6.82 1iehA9 GLN 118 HE22 -0.00 -0.02 -0.08 -0.04 7.69 7.55 1iehA9 SER 119 H 0.00 0.08 0.13 -0.55 8.46 8.13 1iehA9 SER 119 HA 0.00 0.04 0.42 -0.75 4.49 4.20 1iehA9 SER 119 HB2 0.00 -0.01 -0.37 -0.04 3.95 3.53 1iehA9 SER 119 HB3 0.00 0.02 0.24 -0.04 3.93 4.15 1iehA9 GLU 120 H 0.00 0.17 0.37 -0.55 8.60 8.59 1iehA9 GLU 120 HA 0.00 -0.01 0.34 -0.75 4.29 3.87 1iehA9 GLU 120 HB2 0.00 0.01 -0.49 -0.04 2.09 1.57 1iehA9 GLU 120 HB3 0.00 0.09 -0.11 -0.04 1.99 1.94 1iehA9 GLU 120 HG2 0.00 0.03 -0.10 -0.04 2.34 2.23 1iehA9 GLU 120 HG3 0.00 -0.17 0.09 -0.04 2.34 2.22 1iehA9 GLN 121 H 0.00 0.05 0.05 -0.55 8.47 8.03 1iehA9 GLN 121 HA 0.00 0.26 0.92 -0.75 4.36 4.79 1iehA9 GLN 121 HB2 0.00 -0.06 0.13 -0.04 2.15 2.18 1iehA9 GLN 121 HB3 0.00 0.03 0.03 -0.04 2.02 2.04 1iehA9 GLN 121 HG2 0.00 0.09 0.01 -0.04 2.40 2.47 1iehA9 GLN 121 HG3 0.00 -0.03 -0.17 -0.04 2.39 2.16 1iehA9 GLN 121 HE21 0.00 0.03 -0.00 -0.04 6.97 6.96 1iehA9 GLN 121 HE22 0.00 -0.01 -0.01 -0.04 7.69 7.63 1iehA9 LYS 122 H 0.00 0.11 0.15 -0.55 8.42 8.13 1iehA9 LYS 122 HA 0.00 0.22 0.97 -0.75 4.32 4.75 1iehA9 LYS 122 HB2 0.00 -0.04 0.12 -0.04 1.87 1.92 1iehA9 LYS 122 HB3 0.00 -0.00 -0.00 -0.04 1.79 1.75 1iehA9 LYS 122 HG2 0.00 0.02 0.01 -0.04 1.46 1.45 1iehA9 LYS 122 HG3 0.00 0.05 -0.09 -0.04 1.46 1.38 1iehA9 LYS 122 HD2 0.00 -0.01 -0.02 -0.04 1.69 1.62 1iehA9 LYS 122 HD3 0.00 -0.02 -0.02 -0.04 1.68 1.61 1iehA9 LYS 122 HE2 0.00 0.03 -0.02 -0.04 2.99 2.96 1iehA9 LYS 122 HE3 0.00 0.00 -0.02 -0.04 2.99 2.94 1iehA9 LEU 123 H 0.00 0.29 0.08 -0.55 8.37 8.20 1iehA9 LEU 123 HA 0.00 0.11 0.84 -0.75 4.35 4.55 1iehA9 LEU 123 HB2 0.00 -0.01 -0.24 -0.04 1.64 1.35 1iehA9 LEU 123 HB3 0.00 0.02 -0.02 -0.04 1.64 1.60 1iehA9 LEU 123 HG -0.00 0.08 -0.07 -0.04 1.64 1.61 1iehA9 LEU 123 HD13 -0.00 -0.01 -0.02 -0.04 0.93 0.86 1iehA9 LEU 123 HD23 -0.00 0.00 -0.13 -0.04 0.89 0.72 1iehA9 ILE 124 H 0.00 0.13 0.10 -0.55 8.25 7.93 1iehA9 ILE 124 HA 0.00 0.10 0.59 -0.75 4.18 4.11 1iehA9 ILE 124 HB 0.00 0.01 0.05 -0.04 1.89 1.91 1iehA9 ILE 124 HG12 0.00 0.10 -0.30 -0.04 1.49 1.25 1iehA9 ILE 124 HG13 0.00 -0.02 0.06 -0.04 1.21 1.21 1iehA9 ILE 124 HG23 -0.00 -0.01 0.02 -0.04 0.93 0.90 1iehA9 ILE 124 HD13 0.00 -0.01 -0.03 -0.04 0.88 0.80 1iehA9 SER 125 H 0.00 0.13 0.15 -0.55 8.46 8.20 1iehA9 SER 125 HA -0.00 0.10 0.59 -0.75 4.49 4.43 1iehA9 SER 125 HB2 0.00 0.05 0.03 -0.04 3.95 3.98 1iehA9 SER 125 HB3 0.00 0.02 0.11 -0.04 3.93 4.02 1iehA9 GLU 126 H -0.00 0.17 0.15 -0.55 8.60 8.37 1iehA9 GLU 126 HA -0.00 -0.07 0.46 -0.75 4.29 3.93 1iehA9 GLU 126 HB2 -0.01 0.03 0.20 -0.04 2.09 2.27 1iehA9 GLU 126 HB3 -0.01 0.03 0.04 -0.04 1.99 2.01 1iehA9 GLU 126 HG2 -0.02 0.00 0.02 -0.04 2.34 2.31 1iehA9 GLU 126 HG3 -0.01 -0.05 0.04 -0.04 2.34 2.28 1iehA9 GLU 127 H 0.00 -0.15 0.32 -0.55 8.60 8.22 1iehA9 GLU 127 HA 0.01 0.10 0.39 -0.75 4.29 4.04 1iehA9 GLU 127 HB2 0.01 0.07 -0.45 -0.04 2.09 1.67 1iehA9 GLU 127 HB3 0.01 0.00 -0.08 -0.04 1.99 1.89 1iehA9 GLU 127 HG2 0.01 -0.00 0.12 -0.04 2.34 2.44 1iehA9 GLU 127 HG3 0.01 0.01 0.13 -0.04 2.34 2.46 1iehA9 ASP 128 H 0.01 -0.25 0.19 -0.55 8.40 7.80 1iehA9 ASP 128 HA 0.03 0.26 0.80 -0.75 4.63 4.97 1iehA9 ASP 128 HB2 0.01 -0.06 0.16 -0.04 2.71 2.78 1iehA9 ASP 128 HB3 0.01 -0.04 0.05 -0.04 2.70 2.67 1iehA9 LEU 129 H -0.01 -0.02 0.09 -0.55 8.37 7.89 1iehA9 LEU 129 HA -0.07 -0.07 0.42 -0.75 4.35 3.88 1iehA9 LEU 129 HB2 -0.05 -0.03 -0.45 -0.04 1.64 1.07 1iehA9 LEU 129 HB3 -0.14 0.14 0.14 -0.04 1.64 1.75 1iehA9 LEU 129 HG -0.30 0.05 -0.04 -0.04 1.64 1.31 1iehA9 LEU 129 HD13 -0.46 -0.00 -0.01 -0.04 0.93 0.41 1iehA9 LEU 129 HD23 -0.10 -0.01 0.02 -0.04 0.89 0.75 1iehA9 ASN 130 H -0.03 0.07 0.12 -0.55 8.53 8.14 1iehA9 ASN 130 HA 0.04 0.08 0.35 -0.75 4.76 4.48 1iehA9 ASN 130 HB2 -0.01 0.05 0.05 -0.04 2.88 2.94 1iehA9 ASN 130 HB3 0.03 0.04 0.08 -0.04 2.79 2.90 1iehA9 ASN 130 HD21 0.00 0.05 0.03 -0.04 7.03 7.07 1iehA9 ASN 130 HD22 0.00 -0.01 0.03 -0.04 7.74 7.72 1iehA9 HIS 131 H -0.12 -0.15 -0.32 -0.55 8.41 7.27 1iehA9 HIS 131 HA -0.07 -0.05 0.25 -0.75 4.63 4.00 1iehA9 HIS 131 HB2 -0.03 0.23 -0.41 -0.04 3.26 3.01 1iehA9 HIS 131 HB3 -0.05 -0.11 0.23 -0.04 3.20 3.22 1iehA9 HIS 131 HD2 -0.04 -0.06 0.04 -0.04 6.97 6.87 1iehA9 HIS 131 HE1 -0.01 0.02 -0.02 -0.04 7.75 7.69 1iehA9 HIS 132 H 0.15 0.05 0.15 -0.55 8.41 8.21 1iehA9 HIS 132 HA -0.40 0.11 0.62 -0.75 4.63 4.21 1iehA9 HIS 132 HB2 -0.11 -0.05 0.11 -0.04 3.26 3.17 1iehA9 HIS 132 HB3 -0.29 0.05 -0.03 -0.04 3.20 2.89 1iehA9 HIS 132 HD2 -0.05 -0.00 0.02 -0.04 6.97 6.89 1iehA9 HIS 132 HE1 -0.08 -0.01 0.03 -0.04 7.75 7.66 1iehA9 HIS 133 H -0.80 0.18 0.20 -0.55 8.41 7.44 1iehA9 HIS 133 HA -0.36 0.22 0.87 -0.75 4.63 4.61 1iehA9 HIS 133 HB2 -0.40 -0.17 0.04 -0.04 3.26 2.69 1iehA9 HIS 133 HB3 -0.24 0.14 -0.02 -0.04 3.20 3.04 1iehA9 HIS 133 HD2 -0.25 0.02 0.04 -0.04 6.97 6.73 1iehA9 HIS 133 HE1 0.03 0.01 -0.01 -0.04 7.75 7.73 1iehA9 HIS 134 H -0.33 0.17 0.09 -0.55 8.41 7.79 1iehA9 HIS 134 HA -0.07 0.24 0.86 -0.75 4.63 4.91 1iehA9 HIS 134 HB2 -0.03 -0.02 0.05 -0.04 3.26 3.22 1iehA9 HIS 134 HB3 -0.01 0.03 0.20 -0.04 3.20 3.38 1iehA9 HIS 134 HD2 -0.02 0.00 -0.07 -0.04 6.97 6.84 1iehA9 HIS 134 HE1 -0.05 -0.02 -0.03 -0.04 7.75 7.62 1iehA9 HIS 135 H -0.16 0.00 -0.14 -0.55 8.41 7.56 1iehA9 HIS 135 HA 0.02 0.20 0.46 -0.75 4.63 4.56 1iehA9 HIS 135 HB2 -0.07 0.02 0.06 -0.04 3.26 3.23 1iehA9 HIS 135 HB3 -0.02 0.05 0.06 -0.04 3.20 3.24 1iehA9 HIS 135 HD2 -0.02 0.03 0.01 -0.04 6.97 6.95 1iehA9 HIS 135 HE1 0.03 0.04 -0.03 -0.04 7.75 7.76