============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 8 rings ring int. center anis. iso. PHE 3 1.000 2.735 14.940 -5.389 -99.200 -91.000 TYR 23 0.840 -13.429 2.090 4.725 -99.200 -91.000 PHE 26 1.000 -3.550 -4.564 3.712 -99.200 -91.000 PHE 55 1.000 -5.249 -0.343 -1.324 -99.200 -91.000 TYR 66 0.840 -0.652 -15.882 7.842 -99.200 -91.000 PHE 109 1.000 0.630 9.228 -4.225 -99.200 -91.000 PHE 110 1.000 -4.245 9.307 -1.391 -99.200 -91.000 TYR 127 0.840 11.131 11.600 -5.187 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2hi6A16 VAL 1 H -0.14 0.00 0.09 -0.55 8.24 7.64 2hi6A16 VAL 1 HA -0.43 -0.07 0.09 -0.75 4.13 2.96 2hi6A16 VAL 1 HB -0.11 -0.26 0.21 -0.04 2.12 1.92 2hi6A16 VAL 1 HG13 0.01 -0.00 -0.00 -0.04 0.97 0.94 2hi6A16 VAL 1 HG23 -0.08 0.02 -0.03 -0.04 0.95 0.82 2hi6A16 LYS 2 H -0.31 0.00 0.14 -0.55 8.42 7.70 2hi6A16 LYS 2 HA -0.27 -0.03 0.49 -0.75 4.32 3.76 2hi6A16 LYS 2 HB2 -0.13 0.28 0.28 -0.04 1.87 2.26 2hi6A16 LYS 2 HB3 0.12 -0.01 0.06 -0.04 1.79 1.92 2hi6A16 LYS 2 HG2 0.01 -0.02 -0.02 -0.04 1.46 1.39 2hi6A16 LYS 2 HG3 -0.09 -0.07 -0.24 -0.04 1.46 1.01 2hi6A16 LYS 2 HD2 -0.03 0.04 -0.08 -0.04 1.69 1.58 2hi6A16 LYS 2 HD3 0.06 -0.00 -0.04 -0.04 1.68 1.66 2hi6A16 LYS 2 HE2 -0.02 -0.00 -0.06 -0.04 2.99 2.87 2hi6A16 LYS 2 HE3 -0.00 0.01 -0.04 -0.04 2.99 2.92 2hi6A16 PHE 3 H -0.12 0.53 0.28 -0.55 8.34 8.47 2hi6A16 PHE 3 HA 0.05 0.23 0.94 -0.75 4.62 5.09 2hi6A16 PHE 3 HB2 -0.07 -0.00 0.02 -0.04 3.15 3.06 2hi6A16 PHE 3 HB3 -0.02 0.01 0.02 -0.04 3.06 3.03 2hi6A16 PHE 3 HD2 0.14 0.03 -0.05 -0.04 7.28 7.35 2hi6A16 PHE 3 HE2 0.05 0.02 -0.10 -0.04 7.38 7.32 2hi6A16 PHE 3 HZ 0.04 0.07 -0.15 -0.04 7.32 7.24 2hi6A16 ALA 4 H 0.20 0.16 0.19 -0.55 8.40 8.40 2hi6A16 ALA 4 HA 0.19 0.14 1.05 -0.75 4.34 4.96 2hi6A16 ALA 4 HB3 0.11 0.03 0.11 -0.04 1.41 1.62 2hi6A16 CYS 5 H 0.04 0.64 0.21 -0.55 8.50 8.85 2hi6A16 CYS 5 HA -0.03 0.11 0.91 -0.75 4.58 4.82 2hi6A16 CYS 5 HB2 -0.08 -0.07 -0.33 -0.04 2.97 2.45 2hi6A16 CYS 5 HB3 -0.10 0.13 -0.37 -0.04 2.97 2.59 2hi6A16 ARG 6 H -0.02 0.71 0.28 -0.55 8.46 8.88 2hi6A16 ARG 6 HA 0.00 0.20 0.91 -0.75 4.34 4.70 2hi6A16 ARG 6 HB2 0.00 0.02 0.09 -0.04 1.90 1.97 2hi6A16 ARG 6 HB3 -0.00 -0.07 0.22 -0.04 1.80 1.91 2hi6A16 ARG 6 HG2 0.00 0.03 -0.34 -0.04 1.67 1.32 2hi6A16 ARG 6 HG3 0.00 0.05 0.01 -0.04 1.67 1.69 2hi6A16 ARG 6 HD2 0.00 0.00 -0.01 -0.04 3.22 3.17 2hi6A16 ARG 6 HD3 0.00 -0.06 -0.04 -0.04 3.22 3.08 2hi6A16 ALA 7 H 0.01 0.28 0.17 -0.55 8.40 8.31 2hi6A16 ALA 7 HA 0.00 0.01 0.72 -0.75 4.34 4.32 2hi6A16 ALA 7 HB3 0.01 0.06 0.01 -0.04 1.41 1.45 2hi6A16 ILE 8 H 0.00 0.42 0.40 -0.55 8.25 8.52 2hi6A16 ILE 8 HA 0.00 0.09 0.68 -0.75 4.18 4.20 2hi6A16 ILE 8 HB 0.00 0.02 0.18 -0.04 1.89 2.05 2hi6A16 ILE 8 HG12 -0.01 -0.09 -0.05 -0.04 1.49 1.30 2hi6A16 ILE 8 HG13 -0.00 0.02 -0.06 -0.04 1.21 1.12 2hi6A16 ILE 8 HG23 -0.01 -0.02 -0.12 -0.04 0.93 0.75 2hi6A16 ILE 8 HD13 0.00 0.00 -0.07 -0.04 0.88 0.77 2hi6A16 THR 9 H 0.01 0.13 0.18 -0.55 8.28 8.05 2hi6A16 THR 9 HA 0.01 0.21 0.79 -0.75 4.39 4.64 2hi6A16 THR 9 HB 0.01 0.02 0.11 -0.04 4.32 4.43 2hi6A16 THR 9 HG23 0.00 -0.01 -0.11 -0.04 1.22 1.07 2hi6A16 ARG 10 H 0.01 0.16 0.11 -0.55 8.46 8.18 2hi6A16 ARG 10 HA 0.01 0.34 0.63 -0.75 4.34 4.57 2hi6A16 ARG 10 HB2 0.01 0.00 -0.00 -0.04 1.90 1.87 2hi6A16 ARG 10 HB3 0.01 -0.14 0.07 -0.04 1.80 1.70 2hi6A16 ARG 10 HG2 0.01 -0.02 -0.32 -0.04 1.67 1.29 2hi6A16 ARG 10 HG3 0.01 -0.03 -0.04 -0.04 1.67 1.56 2hi6A16 ARG 10 HD2 0.01 -0.18 0.12 -0.04 3.22 3.13 2hi6A16 ARG 10 HD3 0.01 0.45 0.01 -0.04 3.22 3.66 2hi6A16 GLY 11 H 0.02 0.06 0.00 -0.55 8.43 7.97 2hi6A16 GLY 11 HA2 0.02 0.03 0.36 -0.51 4.01 3.90 2hi6A16 GLY 11 HA3 0.02 0.33 0.83 -0.51 4.01 4.67 2hi6A16 ARG 12 H 0.02 0.31 0.22 -0.55 8.46 8.45 2hi6A16 ARG 12 HA 0.02 0.11 0.89 -0.75 4.34 4.62 2hi6A16 ARG 12 HB2 0.03 0.15 0.15 -0.04 1.90 2.19 2hi6A16 ARG 12 HB3 0.03 -0.17 -0.06 -0.04 1.80 1.56 2hi6A16 ARG 12 HG2 0.02 -0.05 0.05 -0.04 1.67 1.66 2hi6A16 ARG 12 HG3 0.02 0.06 -0.20 -0.04 1.67 1.51 2hi6A16 ARG 12 HD2 0.03 0.01 -0.08 -0.04 3.22 3.14 2hi6A16 ARG 12 HD3 0.02 -0.05 -0.04 -0.04 3.22 3.11 2hi6A16 ALA 13 H 0.02 0.63 0.32 -0.55 8.40 8.83 2hi6A16 ALA 13 HA 0.02 0.17 0.88 -0.75 4.34 4.66 2hi6A16 ALA 13 HB3 0.02 0.03 -0.16 -0.04 1.41 1.27 2hi6A16 GLU 14 H 0.02 0.28 0.15 -0.55 8.60 8.50 2hi6A16 GLU 14 HA 0.01 0.27 1.13 -0.75 4.29 4.95 2hi6A16 GLU 14 HB2 0.01 -0.04 -0.03 -0.04 2.09 1.99 2hi6A16 GLU 14 HB3 0.01 0.01 0.13 -0.04 1.99 2.10 2hi6A16 GLU 14 HG2 0.01 0.04 -0.28 -0.04 2.34 2.07 2hi6A16 GLU 14 HG3 0.01 -0.01 -0.05 -0.04 2.34 2.25 2hi6A16 GLY 15 H 0.01 0.53 0.27 -0.55 8.43 8.69 2hi6A16 GLY 15 HA2 0.00 0.06 0.33 -0.51 4.01 3.89 2hi6A16 GLY 15 HA3 0.01 0.18 0.58 -0.51 4.01 4.27 2hi6A16 GLU 16 H 0.00 0.25 0.24 -0.55 8.60 8.54 2hi6A16 GLU 16 HA -0.01 0.15 0.53 -0.75 4.29 4.20 2hi6A16 GLU 16 HB2 -0.01 -0.03 0.10 -0.04 2.09 2.11 2hi6A16 GLU 16 HB3 -0.01 0.07 0.03 -0.04 1.99 2.04 2hi6A16 GLU 16 HG2 -0.01 0.02 0.03 -0.04 2.34 2.35 2hi6A16 GLU 16 HG3 -0.00 -0.01 0.15 -0.04 2.34 2.43 2hi6A16 ALA 17 H -0.02 0.83 0.44 -0.55 8.40 9.11 2hi6A16 ALA 17 HA -0.02 0.20 0.84 -0.75 4.34 4.61 2hi6A16 ALA 17 HB3 -0.05 -0.03 -0.02 -0.04 1.41 1.28 2hi6A16 LEU 18 H -0.04 0.89 0.36 -0.55 8.37 9.03 2hi6A16 LEU 18 HA -0.06 0.09 0.97 -0.75 4.35 4.58 2hi6A16 LEU 18 HB2 -0.04 0.04 -0.09 -0.04 1.64 1.51 2hi6A16 LEU 18 HB3 -0.07 -0.08 0.02 -0.04 1.64 1.46 2hi6A16 LEU 18 HG -0.07 -0.01 -0.07 -0.04 1.64 1.46 2hi6A16 LEU 18 HD13 -0.03 0.01 -0.04 -0.04 0.93 0.83 2hi6A16 LEU 18 HD23 -0.03 0.01 -0.14 -0.04 0.89 0.68 2hi6A16 VAL 19 H -0.09 0.16 0.12 -0.55 8.24 7.88 2hi6A16 VAL 19 HA -0.16 0.14 0.81 -0.75 4.13 4.17 2hi6A16 VAL 19 HB -0.08 -0.04 0.07 -0.04 2.12 2.04 2hi6A16 VAL 19 HG13 -0.02 0.02 -0.19 -0.04 0.97 0.73 2hi6A16 VAL 19 HG23 -0.12 0.04 -0.42 -0.04 0.95 0.42 2hi6A16 THR 20 H -0.35 0.81 0.33 -0.55 8.28 8.52 2hi6A16 THR 20 HA -0.13 0.12 0.94 -0.75 4.39 4.57 2hi6A16 THR 20 HB -0.98 0.05 0.19 -0.04 4.32 3.53 2hi6A16 THR 20 HG23 0.05 -0.05 -0.01 -0.04 1.22 1.17 2hi6A16 LYS 21 H -0.05 0.21 0.09 -0.55 8.42 8.12 2hi6A16 LYS 21 HA 0.00 0.13 0.50 -0.75 4.32 4.20 2hi6A16 LYS 21 HB2 -0.02 0.01 0.06 -0.04 1.87 1.88 2hi6A16 LYS 21 HB3 -0.03 -0.00 0.16 -0.04 1.79 1.87 2hi6A16 LYS 21 HG2 0.01 0.02 -0.09 -0.04 1.46 1.36 2hi6A16 LYS 21 HG3 -0.02 0.00 -0.04 -0.04 1.46 1.36 2hi6A16 LYS 21 HD2 -0.02 -0.02 -0.01 -0.04 1.69 1.60 2hi6A16 LYS 21 HD3 -0.01 0.08 -0.03 -0.04 1.68 1.69 2hi6A16 LYS 21 HE2 -0.02 0.02 0.01 -0.04 2.99 2.95 2hi6A16 LYS 21 HE3 -0.02 -0.04 0.01 -0.04 2.99 2.90 2hi6A16 GLU 22 H 0.02 0.04 -0.50 -0.55 8.60 7.61 2hi6A16 GLU 22 HA -0.03 0.18 0.98 -0.75 4.29 4.66 2hi6A16 GLU 22 HB2 -0.04 -0.03 0.02 -0.04 2.09 2.01 2hi6A16 GLU 22 HB3 -0.22 0.07 0.02 -0.04 1.99 1.82 2hi6A16 GLU 22 HG2 -0.09 0.05 -0.03 -0.04 2.34 2.23 2hi6A16 GLU 22 HG3 -0.05 -0.09 -0.12 -0.04 2.34 2.04 2hi6A16 TYR 23 H -0.30 0.13 0.17 -0.55 8.29 7.74 2hi6A16 TYR 23 HA 0.11 0.14 0.67 -0.75 4.56 4.72 2hi6A16 TYR 23 HB2 0.04 0.04 0.04 -0.04 3.06 3.13 2hi6A16 TYR 23 HB3 0.04 -0.00 0.13 -0.04 2.98 3.11 2hi6A16 TYR 23 HD2 0.02 0.00 -0.05 -0.04 7.15 7.07 2hi6A16 TYR 23 HE2 0.01 0.01 0.01 -0.04 6.85 6.84 2hi6A16 ILE 24 H 0.09 0.25 0.29 -0.55 8.25 8.32 2hi6A16 ILE 24 HA 0.02 0.23 0.91 -0.75 4.18 4.58 2hi6A16 ILE 24 HB -0.11 -0.22 0.09 -0.04 1.89 1.61 2hi6A16 ILE 24 HG12 -0.40 0.12 0.07 -0.04 1.49 1.24 2hi6A16 ILE 24 HG13 -0.35 -0.06 -0.03 -0.04 1.21 0.73 2hi6A16 ILE 24 HG23 -0.02 0.06 -0.23 -0.04 0.93 0.70 2hi6A16 ILE 24 HD13 -0.62 0.01 -0.05 -0.04 0.88 0.18 2hi6A16 SER 25 H 0.04 0.19 0.10 -0.55 8.46 8.25 2hi6A16 SER 25 HA 0.13 0.20 0.41 -0.75 4.49 4.48 2hi6A16 SER 25 HB2 0.06 -0.02 0.10 -0.04 3.95 4.05 2hi6A16 SER 25 HB3 0.08 0.08 -0.01 -0.04 3.93 4.03 2hi6A16 PHE 26 H 0.03 0.02 -0.30 -0.55 8.34 7.54 2hi6A16 PHE 26 HA -0.09 0.04 0.29 -0.75 4.62 4.11 2hi6A16 PHE 26 HB2 -0.07 0.25 -0.12 -0.04 3.15 3.17 2hi6A16 PHE 26 HB3 -0.08 -0.04 0.12 -0.04 3.06 3.02 2hi6A16 PHE 26 HD2 -0.10 0.08 -0.08 -0.04 7.28 7.13 2hi6A16 PHE 26 HE2 -0.17 -0.00 -0.01 -0.04 7.38 7.16 2hi6A16 PHE 26 HZ -0.17 0.04 -0.06 -0.04 7.32 7.08 2hi6A16 LEU 27 H 0.07 0.06 -1.06 -0.55 8.37 6.88 2hi6A16 LEU 27 HA 0.01 0.26 0.80 -0.75 4.35 4.66 2hi6A16 LEU 27 HB2 0.03 -0.08 0.02 -0.04 1.64 1.57 2hi6A16 LEU 27 HB3 0.01 0.05 0.18 -0.04 1.64 1.84 2hi6A16 LEU 27 HG 0.02 0.04 -0.00 -0.04 1.64 1.65 2hi6A16 LEU 27 HD13 -0.00 0.06 0.03 -0.04 0.93 0.97 2hi6A16 LEU 27 HD23 0.04 -0.03 -0.14 -0.04 0.89 0.71 2hi6A16 GLY 28 H -0.05 0.04 -0.76 -0.55 8.43 7.11 2hi6A16 GLY 28 HA2 -0.02 0.17 0.37 -0.51 4.01 4.02 2hi6A16 GLY 28 HA3 -0.06 -0.04 0.22 -0.51 4.01 3.63 2hi6A16 GLY 29 H -0.03 0.10 0.03 -0.55 8.43 7.99 2hi6A16 GLY 29 HA2 -0.02 0.24 0.29 -0.51 4.01 4.01 2hi6A16 GLY 29 HA3 -0.02 0.03 0.25 -0.51 4.01 3.77 2hi6A16 ILE 30 H -0.04 0.28 -0.79 -0.55 8.25 7.15 2hi6A16 ILE 30 HA -0.02 0.07 0.69 -0.75 4.18 4.17 2hi6A16 ILE 30 HB -0.05 0.05 -0.03 -0.04 1.89 1.82 2hi6A16 ILE 30 HG12 -0.05 -0.00 -0.13 -0.04 1.49 1.27 2hi6A16 ILE 30 HG13 -0.08 -0.17 -0.20 -0.04 1.21 0.72 2hi6A16 ILE 30 HG23 -0.03 0.04 -0.30 -0.04 0.93 0.61 2hi6A16 ILE 30 HD13 -0.15 0.02 -0.09 -0.04 0.88 0.62 2hi6A16 ASP 31 H -0.01 0.78 0.22 -0.55 8.40 8.84 2hi6A16 ASP 31 HA -0.01 0.05 0.34 -0.75 4.63 4.26 2hi6A16 ASP 31 HB2 -0.01 0.18 0.18 -0.04 2.71 3.03 2hi6A16 ASP 31 HB3 -0.00 -0.34 0.23 -0.04 2.70 2.54 2hi6A16 LYS 32 H -0.00 0.16 0.20 -0.55 8.42 8.22 2hi6A16 LYS 32 HA -0.00 0.18 0.35 -0.75 4.32 4.10 2hi6A16 LYS 32 HB2 0.01 0.05 0.07 -0.04 1.87 1.96 2hi6A16 LYS 32 HB3 -0.00 0.06 0.08 -0.04 1.79 1.88 2hi6A16 LYS 32 HG2 0.00 -0.11 0.12 -0.04 1.46 1.43 2hi6A16 LYS 32 HG3 0.01 0.05 -0.12 -0.04 1.46 1.36 2hi6A16 LYS 32 HD2 0.02 0.02 -0.02 -0.04 1.69 1.67 2hi6A16 LYS 32 HD3 0.01 0.02 0.01 -0.04 1.68 1.68 2hi6A16 LYS 32 HE2 0.01 -0.03 0.00 -0.04 2.99 2.93 2hi6A16 LYS 32 HE3 0.01 0.02 -0.02 -0.04 2.99 2.96 2hi6A16 GLU 33 H 0.00 -0.11 -0.25 -0.55 8.60 7.70 2hi6A16 GLU 33 HA 0.01 0.25 0.67 -0.75 4.29 4.47 2hi6A16 GLU 33 HB2 0.00 -0.09 0.06 -0.04 2.09 2.02 2hi6A16 GLU 33 HB3 0.00 0.09 0.00 -0.04 1.99 2.04 2hi6A16 GLU 33 HG2 0.01 0.09 -0.04 -0.04 2.34 2.36 2hi6A16 GLU 33 HG3 0.01 -0.13 -0.05 -0.04 2.34 2.12 2hi6A16 THR 34 H 0.00 -0.16 -0.08 -0.55 8.28 7.49 2hi6A16 THR 34 HA 0.00 0.35 0.81 -0.75 4.39 4.80 2hi6A16 THR 34 HB -0.00 0.05 0.04 -0.04 4.32 4.37 2hi6A16 THR 34 HG23 0.00 0.02 -0.13 -0.04 1.22 1.07 2hi6A16 GLY 35 H -0.00 0.12 -0.11 -0.55 8.43 7.89 2hi6A16 GLY 35 HA2 -0.00 0.16 0.26 -0.51 4.01 3.92 2hi6A16 GLY 35 HA3 0.00 0.24 0.49 -0.51 4.01 4.23 2hi6A16 ILE 36 H -0.00 -0.05 -0.14 -0.55 8.25 7.50 2hi6A16 ILE 36 HA -0.01 0.30 0.64 -0.75 4.18 4.37 2hi6A16 ILE 36 HB -0.01 -0.14 0.06 -0.04 1.89 1.76 2hi6A16 ILE 36 HG12 -0.00 -0.08 -0.26 -0.04 1.49 1.10 2hi6A16 ILE 36 HG13 -0.00 0.01 -0.09 -0.04 1.21 1.08 2hi6A16 ILE 36 HG23 -0.01 0.02 -0.37 -0.04 0.93 0.53 2hi6A16 ILE 36 HD13 -0.00 0.07 -0.24 -0.04 0.88 0.67 2hi6A16 VAL 37 H -0.01 0.78 0.23 -0.55 8.24 8.69 2hi6A16 VAL 37 HA -0.01 -0.05 0.60 -0.75 4.13 3.91 2hi6A16 VAL 37 HB -0.01 0.05 0.19 -0.04 2.12 2.31 2hi6A16 VAL 37 HG13 -0.00 0.01 -0.15 -0.04 0.97 0.79 2hi6A16 VAL 37 HG23 0.00 0.04 -0.05 -0.04 0.95 0.91 2hi6A16 LYS 38 H -0.01 0.64 0.42 -0.55 8.42 8.92 2hi6A16 LYS 38 HA -0.01 0.09 0.58 -0.75 4.32 4.23 2hi6A16 LYS 38 HB2 -0.01 0.13 0.16 -0.04 1.87 2.10 2hi6A16 LYS 38 HB3 -0.01 -0.05 0.13 -0.04 1.79 1.82 2hi6A16 LYS 38 HG2 -0.01 0.06 -0.06 -0.04 1.46 1.41 2hi6A16 LYS 38 HG3 -0.01 -0.06 0.07 -0.04 1.46 1.42 2hi6A16 LYS 38 HD2 -0.01 0.02 -0.03 -0.04 1.69 1.63 2hi6A16 LYS 38 HD3 -0.01 -0.02 -0.03 -0.04 1.68 1.58 2hi6A16 LYS 38 HE2 -0.01 -0.01 0.02 -0.04 2.99 2.95 2hi6A16 LYS 38 HE3 -0.00 0.01 -0.00 -0.04 2.99 2.95 2hi6A16 GLU 39 H -0.02 -0.01 -0.33 -0.55 8.60 7.69 2hi6A16 GLU 39 HA -0.02 0.07 0.56 -0.75 4.29 4.15 2hi6A16 GLU 39 HB2 -0.03 -0.18 -0.03 -0.04 2.09 1.82 2hi6A16 GLU 39 HB3 -0.02 0.08 -0.15 -0.04 1.99 1.86 2hi6A16 GLU 39 HG2 -0.03 -0.03 -0.04 -0.04 2.34 2.20 2hi6A16 GLU 39 HG3 -0.03 0.16 -0.02 -0.04 2.34 2.41 2hi6A16 ASP 40 H -0.02 0.10 0.14 -0.55 8.40 8.07 2hi6A16 ASP 40 HA -0.02 0.06 0.42 -0.75 4.63 4.34 2hi6A16 ASP 40 HB2 -0.02 0.09 0.10 -0.04 2.71 2.84 2hi6A16 ASP 40 HB3 -0.03 -0.00 0.14 -0.04 2.70 2.77 2hi6A16 CYS 41 H -0.02 0.02 0.21 -0.55 8.50 8.15 2hi6A16 CYS 41 HA -0.03 0.12 0.37 -0.75 4.58 4.28 2hi6A16 CYS 41 HB2 -0.02 0.17 -0.30 -0.04 2.97 2.78 2hi6A16 CYS 41 HB3 -0.03 -0.00 -0.08 -0.04 2.97 2.82 2hi6A16 GLU 42 H -0.02 0.06 0.17 -0.55 8.60 8.26 2hi6A16 GLU 42 HA -0.02 0.08 0.45 -0.75 4.29 4.04 2hi6A16 GLU 42 HB2 -0.02 -0.04 -0.06 -0.04 2.09 1.93 2hi6A16 GLU 42 HB3 -0.02 0.21 0.30 -0.04 1.99 2.44 2hi6A16 GLU 42 HG2 -0.02 0.05 -0.04 -0.04 2.34 2.29 2hi6A16 GLU 42 HG3 -0.02 -0.01 0.12 -0.04 2.34 2.39 2hi6A16 ILE 43 H -0.03 0.64 -0.67 -0.55 8.25 7.64 2hi6A16 ILE 43 HA -0.02 0.18 0.56 -0.75 4.18 4.14 2hi6A16 ILE 43 HB -0.03 -0.02 0.14 -0.04 1.89 1.93 2hi6A16 ILE 43 HG12 -0.04 0.11 -0.01 -0.04 1.49 1.51 2hi6A16 ILE 43 HG13 -0.03 -0.03 -0.29 -0.04 1.21 0.81 2hi6A16 ILE 43 HG23 -0.04 0.03 0.08 -0.04 0.93 0.96 2hi6A16 ILE 43 HD13 -0.07 0.02 -0.05 -0.04 0.88 0.75 2hi6A16 LYS 44 H -0.02 -0.19 -0.94 -0.55 8.42 6.71 2hi6A16 LYS 44 HA -0.01 0.22 0.41 -0.75 4.32 4.19 2hi6A16 LYS 44 HB2 -0.02 -0.12 0.00 -0.04 1.87 1.70 2hi6A16 LYS 44 HB3 -0.01 -0.03 0.03 -0.04 1.79 1.73 2hi6A16 LYS 44 HG2 -0.01 0.04 -0.38 -0.04 1.46 1.07 2hi6A16 LYS 44 HG3 -0.01 0.07 -0.22 -0.04 1.46 1.26 2hi6A16 LYS 44 HD2 -0.01 -0.08 -0.13 -0.04 1.69 1.42 2hi6A16 LYS 44 HD3 -0.01 -0.04 -0.05 -0.04 1.68 1.54 2hi6A16 LYS 44 HE2 -0.01 0.00 -0.07 -0.04 2.99 2.87 2hi6A16 LYS 44 HE3 -0.01 0.11 -0.02 -0.04 2.99 3.02 2hi6A16 GLY 45 H -0.01 0.54 0.28 -0.55 8.43 8.69 2hi6A16 GLY 45 HA2 -0.01 -0.06 0.24 -0.51 4.01 3.67 2hi6A16 GLY 45 HA3 -0.01 0.19 0.84 -0.51 4.01 4.52 2hi6A16 GLU 46 H -0.01 0.35 0.10 -0.55 8.60 8.50 2hi6A16 GLU 46 HA -0.01 0.11 0.74 -0.75 4.29 4.38 2hi6A16 GLU 46 HB2 -0.02 0.07 0.14 -0.04 2.09 2.23 2hi6A16 GLU 46 HB3 -0.02 0.07 0.02 -0.04 1.99 2.02 2hi6A16 GLU 46 HG2 -0.02 0.03 -0.10 -0.04 2.34 2.22 2hi6A16 GLU 46 HG3 -0.02 -0.05 0.02 -0.04 2.34 2.25 2hi6A16 SER 47 H -0.01 0.15 0.18 -0.55 8.46 8.24 2hi6A16 SER 47 HA -0.00 0.28 0.94 -0.75 4.49 4.95 2hi6A16 SER 47 HB2 -0.00 0.01 0.01 -0.04 3.95 3.93 2hi6A16 SER 47 HB3 -0.00 0.01 0.08 -0.04 3.93 3.97 2hi6A16 VAL 48 H 0.00 0.59 0.25 -0.55 8.24 8.53 2hi6A16 VAL 48 HA 0.01 0.15 0.71 -0.75 4.13 4.25 2hi6A16 VAL 48 HB 0.03 -0.07 0.07 -0.04 2.12 2.10 2hi6A16 VAL 48 HG13 0.02 -0.01 -0.15 -0.04 0.97 0.79 2hi6A16 VAL 48 HG23 0.01 0.07 -0.06 -0.04 0.95 0.93 2hi6A16 ALA 49 H 0.00 0.05 -0.22 -0.55 8.40 7.69 2hi6A16 ALA 49 HA 0.01 0.22 -0.09 -0.75 4.34 3.73 2hi6A16 ALA 49 HB3 0.01 0.07 0.14 -0.04 1.41 1.59 2hi6A16 GLY 50 H 0.02 0.46 0.38 -0.55 8.43 8.74 2hi6A16 GLY 50 HA2 0.01 0.03 0.30 -0.51 4.01 3.84 2hi6A16 GLY 50 HA3 0.01 0.14 0.66 -0.51 4.01 4.31 2hi6A16 ARG 51 H 0.02 0.42 0.00 -0.55 8.46 8.35 2hi6A16 ARG 51 HA 0.01 0.15 0.96 -0.75 4.34 4.70 2hi6A16 ARG 51 HB2 0.01 -0.02 -0.07 -0.04 1.90 1.77 2hi6A16 ARG 51 HB3 -0.00 0.06 0.02 -0.04 1.80 1.85 2hi6A16 ARG 51 HG2 -0.00 -0.06 -0.06 -0.04 1.67 1.51 2hi6A16 ARG 51 HG3 0.00 0.03 -0.48 -0.04 1.67 1.18 2hi6A16 ARG 51 HD2 -0.01 0.29 -0.05 -0.04 3.22 3.41 2hi6A16 ARG 51 HD3 -0.01 -0.06 -0.13 -0.04 3.22 2.97 2hi6A16 ILE 52 H 0.01 0.85 0.27 -0.55 8.25 8.84 2hi6A16 ILE 52 HA 0.04 0.19 1.07 -0.75 4.18 4.73 2hi6A16 ILE 52 HB 0.02 -0.00 -0.01 -0.04 1.89 1.85 2hi6A16 ILE 52 HG12 0.03 0.02 -0.22 -0.04 1.49 1.28 2hi6A16 ILE 52 HG13 0.03 -0.02 -0.21 -0.04 1.21 0.97 2hi6A16 ILE 52 HG23 0.06 -0.02 -0.33 -0.04 0.93 0.59 2hi6A16 ILE 52 HD13 0.02 -0.04 -0.43 -0.04 0.88 0.38 2hi6A16 LEU 53 H 0.08 0.69 0.41 -0.55 8.37 9.00 2hi6A16 LEU 53 HA -0.06 0.29 0.86 -0.75 4.35 4.68 2hi6A16 LEU 53 HB2 0.22 0.02 0.16 -0.04 1.64 2.01 2hi6A16 LEU 53 HB3 0.22 -0.03 -0.07 -0.04 1.64 1.71 2hi6A16 LEU 53 HG 0.22 -0.05 -0.06 -0.04 1.64 1.71 2hi6A16 LEU 53 HD13 -0.14 0.03 -0.08 -0.04 0.93 0.69 2hi6A16 LEU 53 HD23 0.04 -0.00 -0.23 -0.04 0.89 0.66 2hi6A16 VAL 54 H -0.21 0.73 0.40 -0.55 8.24 8.61 2hi6A16 VAL 54 HA 0.12 0.26 1.05 -0.75 4.13 4.81 2hi6A16 VAL 54 HB -0.08 -0.11 0.08 -0.04 2.12 1.96 2hi6A16 VAL 54 HG13 0.06 0.01 -0.21 -0.04 0.97 0.79 2hi6A16 VAL 54 HG23 -0.01 0.01 -0.26 -0.04 0.95 0.65 2hi6A16 PHE 55 H 0.33 0.71 0.25 -0.55 8.34 9.09 2hi6A16 PHE 55 HA 0.16 0.49 0.96 -0.75 4.62 5.48 2hi6A16 PHE 55 HB2 0.15 -0.07 -0.12 -0.04 3.15 3.08 2hi6A16 PHE 55 HB3 0.14 -0.06 -0.14 -0.04 3.06 2.96 2hi6A16 PHE 55 HD2 0.07 0.12 -0.13 -0.04 7.28 7.29 2hi6A16 PHE 55 HE2 -0.04 -0.01 -0.09 -0.04 7.38 7.21 2hi6A16 PHE 55 HZ -0.09 -0.02 -0.09 -0.04 7.32 7.07 2hi6A16 PRO 56 HA 0.00 0.07 0.60 -0.51 4.44 4.59 2hi6A16 PRO 56 HB2 0.01 0.01 0.05 -0.04 2.28 2.31 2hi6A16 PRO 56 HB3 -0.31 0.04 0.09 -0.04 2.02 1.79 2hi6A16 PRO 56 HG2 0.03 0.19 -0.06 -0.04 2.03 2.15 2hi6A16 PRO 56 HG3 -0.15 0.03 0.05 -0.04 2.03 1.92 2hi6A16 PRO 56 HD2 0.26 0.04 0.00 -0.04 3.68 3.95 2hi6A16 PRO 56 HD3 0.17 0.55 0.32 -0.04 3.65 4.64 2hi6A16 GLY 57 H 0.19 0.21 -0.05 -0.55 8.43 8.23 2hi6A16 GLY 57 HA2 0.10 0.36 1.02 -0.51 4.01 4.97 2hi6A16 GLY 57 HA3 0.07 -0.00 0.24 -0.51 4.01 3.81 2hi6A16 GLY 58 H 0.10 0.61 0.26 -0.55 8.43 8.85 2hi6A16 GLY 58 HA2 0.13 0.08 0.80 -0.51 4.01 4.51 2hi6A16 GLY 58 HA3 0.09 -0.02 0.36 -0.51 4.01 3.94 2hi6A16 LYS 59 H 0.16 0.43 0.32 -0.55 8.42 8.77 2hi6A16 LYS 59 HA -0.03 0.11 0.82 -0.75 4.32 4.47 2hi6A16 LYS 59 HB2 0.03 0.08 -0.30 -0.04 1.87 1.64 2hi6A16 LYS 59 HB3 0.09 0.07 -0.10 -0.04 1.79 1.81 2hi6A16 LYS 59 HG2 0.02 -0.07 -0.01 -0.04 1.46 1.35 2hi6A16 LYS 59 HG3 -0.01 -0.03 0.06 -0.04 1.46 1.43 2hi6A16 LYS 59 HD2 -0.03 0.00 -0.04 -0.04 1.69 1.58 2hi6A16 LYS 59 HD3 -0.05 0.06 -0.09 -0.04 1.68 1.56 2hi6A16 LYS 59 HE2 0.06 0.02 -0.17 -0.04 2.99 2.86 2hi6A16 LYS 59 HE3 0.03 -0.04 -0.10 -0.04 2.99 2.84 2hi6A16 GLY 60 H -0.02 0.11 0.05 -0.55 8.43 8.02 2hi6A16 GLY 60 HA2 0.01 0.00 0.45 -0.51 4.01 3.96 2hi6A16 GLY 60 HA3 -0.01 0.43 0.98 -0.51 4.01 4.90 2hi6A16 SER 61 H -0.02 0.26 0.17 -0.55 8.46 8.32 2hi6A16 SER 61 HA -0.05 0.12 0.88 -0.75 4.49 4.68 2hi6A16 SER 61 HB2 -0.03 -0.04 0.09 -0.04 3.95 3.93 2hi6A16 SER 61 HB3 -0.02 0.12 0.12 -0.04 3.93 4.10 2hi6A16 THR 62 H -0.02 0.04 -0.25 -0.55 8.28 7.50 2hi6A16 THR 62 HA 0.01 0.25 0.75 -0.75 4.39 4.65 2hi6A16 THR 62 HB 0.00 0.03 -0.11 -0.04 4.32 4.20 2hi6A16 THR 62 HG23 0.01 -0.02 -0.06 -0.04 1.22 1.11 2hi6A16 VAL 63 H -0.03 0.05 -0.18 -0.55 8.24 7.54 2hi6A16 VAL 63 HA -0.01 0.18 0.35 -0.75 4.13 3.90 2hi6A16 VAL 63 HB -0.07 -0.12 0.06 -0.04 2.12 1.95 2hi6A16 VAL 63 HG13 -0.02 0.01 -0.11 -0.04 0.97 0.80 2hi6A16 VAL 63 HG23 -0.04 0.03 0.01 -0.04 0.95 0.91 2hi6A16 GLY 64 H -0.01 0.07 -0.12 -0.55 8.43 7.82 2hi6A16 GLY 64 HA2 0.12 0.10 0.29 -0.51 4.01 4.01 2hi6A16 GLY 64 HA3 0.18 0.29 0.85 -0.51 4.01 4.82 2hi6A16 SER 65 H -0.09 0.11 -0.35 -0.55 8.46 7.58 2hi6A16 SER 65 HA -0.07 0.04 0.32 -0.75 4.49 4.03 2hi6A16 SER 65 HB2 0.04 0.29 0.00 -0.04 3.95 4.24 2hi6A16 SER 65 HB3 -0.01 -0.02 0.02 -0.04 3.93 3.88 2hi6A16 TYR 66 H 0.17 0.51 -0.76 -0.55 8.29 7.65 2hi6A16 TYR 66 HA 0.01 0.10 0.33 -0.75 4.56 4.25 2hi6A16 TYR 66 HB2 0.01 0.03 0.05 -0.04 3.06 3.11 2hi6A16 TYR 66 HB3 0.01 0.10 0.09 -0.04 2.98 3.14 2hi6A16 TYR 66 HD2 0.01 0.09 -0.14 -0.04 7.15 7.07 2hi6A16 TYR 66 HE2 0.01 0.04 -0.00 -0.04 6.85 6.85 2hi6A16 VAL 67 H -0.56 0.02 -0.59 -0.55 8.24 6.56 2hi6A16 VAL 67 HA -0.18 0.11 0.28 -0.75 4.13 3.59 2hi6A16 VAL 67 HB -0.45 0.05 0.01 -0.04 2.12 1.69 2hi6A16 VAL 67 HG13 -0.11 -0.01 -0.13 -0.04 0.97 0.69 2hi6A16 VAL 67 HG23 -0.08 0.03 -0.05 -0.04 0.95 0.81 2hi6A16 LEU 68 H -0.05 0.31 -0.32 -0.55 8.37 7.77 2hi6A16 LEU 68 HA 0.02 0.08 0.33 -0.75 4.35 4.03 2hi6A16 LEU 68 HB2 0.03 0.12 0.02 -0.04 1.64 1.77 2hi6A16 LEU 68 HB3 0.05 0.08 -0.08 -0.04 1.64 1.65 2hi6A16 LEU 68 HG 0.06 -0.11 0.01 -0.04 1.64 1.56 2hi6A16 LEU 68 HD13 0.07 -0.03 -0.08 -0.04 0.93 0.84 2hi6A16 LEU 68 HD23 0.19 0.01 -0.08 -0.04 0.89 0.97 2hi6A16 LEU 69 H 0.03 0.17 -0.17 -0.55 8.37 7.85 2hi6A16 LEU 69 HA 0.03 0.13 0.47 -0.75 4.35 4.23 2hi6A16 LEU 69 HB2 0.05 -0.02 0.02 -0.04 1.64 1.65 2hi6A16 LEU 69 HB3 0.07 0.09 0.12 -0.04 1.64 1.88 2hi6A16 LEU 69 HG 0.04 -0.01 -0.18 -0.04 1.64 1.45 2hi6A16 LEU 69 HD13 0.03 0.03 -0.09 -0.04 0.93 0.85 2hi6A16 LEU 69 HD23 0.04 -0.01 -0.04 -0.04 0.89 0.84 2hi6A16 ASN 70 H 0.05 0.45 -0.19 -0.55 8.53 8.30 2hi6A16 ASN 70 HA 0.05 0.05 0.39 -0.75 4.76 4.49 2hi6A16 ASN 70 HB2 0.12 0.00 0.06 -0.04 2.88 3.02 2hi6A16 ASN 70 HB3 0.03 0.11 0.11 -0.04 2.79 3.01 2hi6A16 ASN 70 HD21 0.03 0.06 -0.27 -0.04 7.03 6.81 2hi6A16 ASN 70 HD22 0.04 -0.00 -0.07 -0.04 7.74 7.66 2hi6A16 LEU 71 H 0.02 0.48 -0.22 -0.55 8.37 8.09 2hi6A16 LEU 71 HA 0.01 0.09 0.39 -0.75 4.35 4.09 2hi6A16 LEU 71 HB2 0.01 0.13 0.08 -0.04 1.64 1.83 2hi6A16 LEU 71 HB3 0.01 -0.03 -0.22 -0.04 1.64 1.35 2hi6A16 LEU 71 HG -0.01 0.29 0.06 -0.04 1.64 1.94 2hi6A16 LEU 71 HD13 -0.01 -0.03 -0.12 -0.04 0.93 0.73 2hi6A16 LEU 71 HD23 -0.00 0.00 -0.08 -0.04 0.89 0.77 2hi6A16 ARG 72 H 0.02 0.45 -0.24 -0.55 8.46 8.14 2hi6A16 ARG 72 HA 0.02 -0.01 0.48 -0.75 4.34 4.08 2hi6A16 ARG 72 HB2 0.03 0.01 0.27 -0.04 1.90 2.16 2hi6A16 ARG 72 HB3 0.02 0.01 0.02 -0.04 1.80 1.81 2hi6A16 ARG 72 HG2 0.03 -0.09 0.03 -0.04 1.67 1.60 2hi6A16 ARG 72 HG3 0.03 0.22 0.10 -0.04 1.67 1.97 2hi6A16 ARG 72 HD2 0.02 -0.16 0.05 -0.04 3.22 3.09 2hi6A16 ARG 72 HD3 0.03 0.16 -0.03 -0.04 3.22 3.33 2hi6A16 LYS 73 H 0.03 0.60 -0.11 -0.55 8.42 8.38 2hi6A16 LYS 73 HA 0.02 0.04 0.43 -0.75 4.32 4.06 2hi6A16 LYS 73 HB2 0.03 0.11 0.15 -0.04 1.87 2.12 2hi6A16 LYS 73 HB3 0.02 0.04 0.03 -0.04 1.79 1.84 2hi6A16 LYS 73 HG2 0.02 -0.01 0.06 -0.04 1.46 1.49 2hi6A16 LYS 73 HG3 0.02 -0.07 0.02 -0.04 1.46 1.39 2hi6A16 LYS 73 HD2 0.02 -0.02 -0.03 -0.04 1.69 1.61 2hi6A16 LYS 73 HD3 0.02 0.06 0.14 -0.04 1.68 1.85 2hi6A16 LYS 73 HE2 0.01 0.01 0.03 -0.04 2.99 3.00 2hi6A16 LYS 73 HE3 0.01 -0.04 0.01 -0.04 2.99 2.93 2hi6A16 ASN 74 H 0.02 0.24 -0.49 -0.55 8.53 7.75 2hi6A16 ASN 74 HA 0.01 0.08 0.63 -0.75 4.76 4.73 2hi6A16 ASN 74 HB2 0.02 -0.01 0.10 -0.04 2.88 2.95 2hi6A16 ASN 74 HB3 0.01 -0.01 0.09 -0.04 2.79 2.84 2hi6A16 ASN 74 HD21 0.01 0.16 0.07 -0.04 7.03 7.23 2hi6A16 ASN 74 HD22 0.01 0.07 0.19 -0.04 7.74 7.97 2hi6A16 GLY 75 H 0.02 0.23 -0.43 -0.55 8.43 7.70 2hi6A16 GLY 75 HA2 0.01 0.07 0.34 -0.51 4.01 3.92 2hi6A16 GLY 75 HA3 0.01 0.06 0.44 -0.51 4.01 4.01 2hi6A16 VAL 76 H 0.01 0.47 -0.13 -0.55 8.24 8.04 2hi6A16 VAL 76 HA 0.01 0.20 0.75 -0.75 4.13 4.33 2hi6A16 VAL 76 HB 0.00 -0.15 -0.41 -0.04 2.12 1.52 2hi6A16 VAL 76 HG13 0.01 0.10 -0.40 -0.04 0.97 0.64 2hi6A16 VAL 76 HG23 0.01 -0.01 -0.27 -0.04 0.95 0.63 2hi6A16 ALA 77 H 0.01 0.15 -0.25 -0.55 8.40 7.77 2hi6A16 ALA 77 HA 0.02 0.08 0.61 -0.75 4.34 4.29 2hi6A16 ALA 77 HB3 0.02 -0.04 -0.17 -0.04 1.41 1.18 2hi6A16 PRO 78 HA 0.03 0.28 0.68 -0.51 4.44 4.92 2hi6A16 PRO 78 HB2 0.07 -0.04 -0.13 -0.04 2.28 2.13 2hi6A16 PRO 78 HB3 0.06 0.08 0.16 -0.04 2.02 2.27 2hi6A16 PRO 78 HG2 0.07 -0.05 -0.02 -0.04 2.03 1.98 2hi6A16 PRO 78 HG3 0.05 0.01 0.04 -0.04 2.03 2.08 2hi6A16 PRO 78 HD2 0.04 0.08 0.08 -0.04 3.68 3.84 2hi6A16 PRO 78 HD3 0.02 0.10 0.14 -0.04 3.65 3.87 2hi6A16 LYS 79 H 0.03 0.66 0.27 -0.55 8.42 8.83 2hi6A16 LYS 79 HA 0.03 0.21 0.72 -0.75 4.32 4.53 2hi6A16 LYS 79 HB2 0.03 -0.02 -0.17 -0.04 1.87 1.66 2hi6A16 LYS 79 HB3 0.02 -0.07 -0.09 -0.04 1.79 1.61 2hi6A16 LYS 79 HG2 0.02 0.06 0.04 -0.04 1.46 1.53 2hi6A16 LYS 79 HG3 0.02 -0.10 -0.10 -0.04 1.46 1.24 2hi6A16 LYS 79 HD2 0.01 0.05 -0.19 -0.04 1.69 1.53 2hi6A16 LYS 79 HD3 0.02 -0.18 -0.03 -0.04 1.68 1.45 2hi6A16 LYS 79 HE2 0.01 0.04 0.09 -0.04 2.99 3.10 2hi6A16 LYS 79 HE3 0.01 0.06 0.12 -0.04 2.99 3.14 2hi6A16 ALA 80 H 0.05 0.24 0.16 -0.55 8.40 8.30 2hi6A16 ALA 80 HA 0.06 0.13 0.40 -0.75 4.34 4.17 2hi6A16 ALA 80 HB3 0.04 0.08 -0.16 -0.04 1.41 1.32 2hi6A16 ILE 81 H 0.08 0.44 0.01 -0.55 8.25 8.23 2hi6A16 ILE 81 HA 0.16 0.30 0.93 -0.75 4.18 4.82 2hi6A16 ILE 81 HB 0.33 -0.00 -0.06 -0.04 1.89 2.11 2hi6A16 ILE 81 HG12 0.14 -0.04 -0.08 -0.04 1.49 1.47 2hi6A16 ILE 81 HG13 0.21 -0.08 -0.11 -0.04 1.21 1.19 2hi6A16 ILE 81 HG23 0.18 -0.01 -0.20 -0.04 0.93 0.86 2hi6A16 ILE 81 HD13 0.10 0.02 -0.11 -0.04 0.88 0.86 2hi6A16 ILE 82 H 0.15 0.83 0.29 -0.55 8.25 8.98 2hi6A16 ILE 82 HA 0.04 0.17 1.06 -0.75 4.18 4.69 2hi6A16 ILE 82 HB 0.14 -0.05 0.07 -0.04 1.89 2.01 2hi6A16 ILE 82 HG12 0.09 0.07 -0.20 -0.04 1.49 1.42 2hi6A16 ILE 82 HG13 0.09 -0.05 -0.19 -0.04 1.21 1.02 2hi6A16 ILE 82 HG23 -0.35 -0.00 -0.14 -0.04 0.93 0.40 2hi6A16 ILE 82 HD13 0.00 0.02 -0.37 -0.04 0.88 0.49 2hi6A16 ASN 83 H 0.07 0.46 0.24 -0.55 8.53 8.75 2hi6A16 ASN 83 HA 0.29 0.63 1.06 -0.75 4.76 5.99 2hi6A16 ASN 83 HB2 0.10 -0.05 -0.20 -0.04 2.88 2.69 2hi6A16 ASN 83 HB3 0.17 0.07 -0.08 -0.04 2.79 2.91 2hi6A16 ASN 83 HD21 0.15 -0.01 -0.15 -0.04 7.03 6.98 2hi6A16 ASN 83 HD22 0.08 -0.06 -0.16 -0.04 7.74 7.56 2hi6A16 LYS 84 H 0.33 0.44 0.39 -0.55 8.42 9.02 2hi6A16 LYS 84 HA 0.16 0.03 1.00 -0.75 4.32 4.76 2hi6A16 LYS 84 HB2 0.49 -0.09 0.19 -0.04 1.87 2.41 2hi6A16 LYS 84 HB3 0.12 0.11 0.21 -0.04 1.79 2.19 2hi6A16 LYS 84 HG2 0.10 -0.01 0.05 -0.04 1.46 1.56 2hi6A16 LYS 84 HG3 0.23 0.08 -0.03 -0.04 1.46 1.70 2hi6A16 LYS 84 HD2 0.03 -0.07 -0.04 -0.04 1.69 1.57 2hi6A16 LYS 84 HD3 0.01 -0.03 -0.03 -0.04 1.68 1.59 2hi6A16 LYS 84 HE2 0.15 -0.07 -0.42 -0.04 2.99 2.62 2hi6A16 LYS 84 HE3 0.04 -0.09 -0.07 -0.04 2.99 2.83 2hi6A16 LYS 85 H 0.12 0.42 0.29 -0.55 8.42 8.69 2hi6A16 LYS 85 HA 0.04 0.10 0.45 -0.75 4.32 4.15 2hi6A16 LYS 85 HB2 0.03 0.09 -0.17 -0.04 1.87 1.78 2hi6A16 LYS 85 HB3 0.03 -0.06 0.02 -0.04 1.79 1.73 2hi6A16 LYS 85 HG2 0.01 -0.02 0.03 -0.04 1.46 1.44 2hi6A16 LYS 85 HG3 0.01 0.04 0.06 -0.04 1.46 1.53 2hi6A16 LYS 85 HD2 0.01 -0.12 0.17 -0.04 1.69 1.71 2hi6A16 LYS 85 HD3 0.02 0.16 0.16 -0.04 1.68 1.98 2hi6A16 LYS 85 HE2 0.00 -0.00 0.04 -0.04 2.99 2.99 2hi6A16 LYS 85 HE3 -0.00 -0.01 0.06 -0.04 2.99 3.00 2hi6A16 THR 86 H 0.01 0.24 0.14 -0.55 8.28 8.12 2hi6A16 THR 86 HA 0.01 0.24 0.92 -0.75 4.39 4.80 2hi6A16 THR 86 HB 0.03 0.03 -0.26 -0.04 4.32 4.07 2hi6A16 THR 86 HG23 -0.01 0.02 -0.21 -0.04 1.22 0.98 2hi6A16 GLU 87 H -0.10 0.10 0.10 -0.55 8.60 8.17 2hi6A16 GLU 87 HA -0.05 0.28 0.89 -0.75 4.29 4.67 2hi6A16 GLU 87 HB2 -0.08 0.18 -0.04 -0.04 2.09 2.11 2hi6A16 GLU 87 HB3 -0.12 -0.16 -0.10 -0.04 1.99 1.57 2hi6A16 GLU 87 HG2 -0.04 0.16 0.05 -0.04 2.34 2.47 2hi6A16 GLU 87 HG3 -0.06 -0.09 -0.08 -0.04 2.34 2.08 2hi6A16 THR 88 H -0.05 0.23 0.15 -0.55 8.28 8.06 2hi6A16 THR 88 HA -0.04 0.15 0.39 -0.75 4.39 4.13 2hi6A16 THR 88 HB -0.03 -0.03 0.11 -0.04 4.32 4.32 2hi6A16 THR 88 HG23 -0.02 0.03 -0.02 -0.04 1.22 1.17 2hi6A16 ILE 89 H -0.07 0.10 -0.09 -0.55 8.25 7.63 2hi6A16 ILE 89 HA -0.06 0.12 0.35 -0.75 4.18 3.83 2hi6A16 ILE 89 HB -0.11 0.11 0.15 -0.04 1.89 2.00 2hi6A16 ILE 89 HG12 -0.04 -0.02 0.09 -0.04 1.49 1.48 2hi6A16 ILE 89 HG13 -0.04 -0.08 0.04 -0.04 1.21 1.08 2hi6A16 ILE 89 HG23 -0.11 -0.05 -0.15 -0.04 0.93 0.58 2hi6A16 ILE 89 HD13 -0.02 0.01 -0.05 -0.04 0.88 0.78 2hi6A16 ILE 90 H -0.18 0.06 -0.47 -0.55 8.25 7.11 2hi6A16 ILE 90 HA -0.37 0.05 0.33 -0.75 4.18 3.43 2hi6A16 ILE 90 HB -0.20 0.12 0.07 -0.04 1.89 1.83 2hi6A16 ILE 90 HG12 -0.30 -0.12 -0.10 -0.04 1.49 0.93 2hi6A16 ILE 90 HG13 -0.43 -0.01 -0.18 -0.04 1.21 0.55 2hi6A16 ILE 90 HG23 -0.42 0.02 -0.09 -0.04 0.93 0.40 2hi6A16 ILE 90 HD13 -1.21 0.02 -0.19 -0.04 0.88 -0.53 2hi6A16 ALA 91 H -0.10 0.41 -0.15 -0.55 8.40 8.01 2hi6A16 ALA 91 HA -0.03 0.06 0.34 -0.75 4.34 3.95 2hi6A16 ALA 91 HB3 -0.03 0.04 0.05 -0.04 1.41 1.43 2hi6A16 VAL 92 H -0.05 0.50 -0.19 -0.55 8.24 7.95 2hi6A16 VAL 92 HA -0.01 0.07 0.38 -0.75 4.13 3.82 2hi6A16 VAL 92 HB -0.03 0.04 0.11 -0.04 2.12 2.21 2hi6A16 VAL 92 HG13 0.00 -0.00 -0.10 -0.04 0.97 0.83 2hi6A16 VAL 92 HG23 -0.02 0.08 -0.00 -0.04 0.95 0.97 2hi6A16 GLY 93 H -0.05 0.44 -0.18 -0.55 8.43 8.09 2hi6A16 GLY 93 HA2 0.01 0.04 0.42 -0.51 4.01 3.97 2hi6A16 GLY 93 HA3 -0.03 0.01 0.38 -0.51 4.01 3.86 2hi6A16 ALA 94 H -0.02 0.55 -0.11 -0.55 8.40 8.27 2hi6A16 ALA 94 HA 0.03 0.03 0.33 -0.75 4.34 3.97 2hi6A16 ALA 94 HB3 0.02 0.10 0.08 -0.04 1.41 1.57 2hi6A16 ALA 95 H -0.00 0.44 -0.35 -0.55 8.40 7.94 2hi6A16 ALA 95 HA 0.01 0.01 0.40 -0.75 4.34 4.00 2hi6A16 ALA 95 HB3 0.00 0.04 0.09 -0.04 1.41 1.50 2hi6A16 MET 96 H 0.01 0.32 -0.20 -0.55 8.47 8.06 2hi6A16 MET 96 HA 0.02 0.09 0.46 -0.75 4.52 4.34 2hi6A16 MET 96 HB2 0.03 0.03 0.13 -0.04 2.15 2.30 2hi6A16 MET 96 HB3 0.03 -0.02 0.03 -0.04 2.03 2.02 2hi6A16 MET 96 HG2 0.02 -0.01 0.02 -0.04 2.63 2.62 2hi6A16 MET 96 HG3 0.02 0.12 0.08 -0.04 2.56 2.73 2hi6A16 MET 96 HE3 0.04 0.01 -0.10 -0.04 2.10 2.01 2hi6A16 ALA 97 H 0.02 0.46 -0.13 -0.55 8.40 8.20 2hi6A16 ALA 97 HA 0.03 0.07 0.43 -0.75 4.34 4.11 2hi6A16 ALA 97 HB3 0.03 -0.03 -0.16 -0.04 1.41 1.21 2hi6A16 GLU 98 H 0.02 0.10 -0.96 -0.55 8.60 7.22 2hi6A16 GLU 98 HA 0.02 0.02 0.24 -0.75 4.29 3.82 2hi6A16 GLU 98 HB2 0.02 0.17 -0.04 -0.04 2.09 2.20 2hi6A16 GLU 98 HB3 0.02 -0.07 0.23 -0.04 1.99 2.13 2hi6A16 GLU 98 HG2 0.02 0.04 0.02 -0.04 2.34 2.38 2hi6A16 GLU 98 HG3 0.02 0.05 -0.13 -0.04 2.34 2.24 2hi6A16 ILE 99 H 0.03 0.69 -0.08 -0.55 8.25 8.35 2hi6A16 ILE 99 HA 0.04 0.51 0.86 -0.75 4.18 4.83 2hi6A16 ILE 99 HB 0.05 -0.20 0.08 -0.04 1.89 1.78 2hi6A16 ILE 99 HG12 0.04 -0.09 -0.47 -0.04 1.49 0.92 2hi6A16 ILE 99 HG13 0.06 -0.16 -0.19 -0.04 1.21 0.87 2hi6A16 ILE 99 HG23 0.07 -0.02 -0.38 -0.04 0.93 0.56 2hi6A16 ILE 99 HD13 0.04 0.09 -0.30 -0.04 0.88 0.66 2hi6A16 PRO 100 HA 0.02 -0.01 0.19 -0.51 4.44 4.13 2hi6A16 PRO 100 HB2 0.02 -0.10 -0.22 -0.04 2.28 1.94 2hi6A16 PRO 100 HB3 0.02 0.07 -0.38 -0.04 2.02 1.70 2hi6A16 PRO 100 HG2 0.03 -0.04 -0.12 -0.04 2.03 1.86 2hi6A16 PRO 100 HG3 0.02 -0.05 -0.36 -0.04 2.03 1.60 2hi6A16 PRO 100 HD2 0.03 0.57 0.28 -0.04 3.68 4.52 2hi6A16 PRO 100 HD3 0.02 0.14 -0.22 -0.04 3.65 3.55 2hi6A16 LEU 101 H 0.02 0.08 0.14 -0.55 8.37 8.07 2hi6A16 LEU 101 HA 0.04 0.40 1.03 -0.75 4.35 5.06 2hi6A16 LEU 101 HB2 0.03 0.17 -0.01 -0.04 1.64 1.79 2hi6A16 LEU 101 HB3 0.01 -0.14 0.14 -0.04 1.64 1.61 2hi6A16 LEU 101 HG 0.06 0.20 0.01 -0.04 1.64 1.87 2hi6A16 LEU 101 HD13 0.01 -0.04 -0.14 -0.04 0.93 0.72 2hi6A16 LEU 101 HD23 0.02 -0.02 -0.34 -0.04 0.89 0.52 2hi6A16 VAL 102 H 0.00 0.33 0.18 -0.55 8.24 8.21 2hi6A16 VAL 102 HA -0.01 0.31 1.01 -0.75 4.13 4.68 2hi6A16 VAL 102 HB -0.04 0.01 -0.35 -0.04 2.12 1.69 2hi6A16 VAL 102 HG13 -0.00 -0.03 -0.38 -0.04 0.97 0.52 2hi6A16 VAL 102 HG23 -0.10 -0.01 -0.24 -0.04 0.95 0.56 2hi6A16 GLU 103 H -0.02 0.67 0.28 -0.55 8.60 8.99 2hi6A16 GLU 103 HA -0.00 0.48 1.01 -0.75 4.29 5.02 2hi6A16 GLU 103 HB2 0.02 0.28 -0.14 -0.04 2.09 2.20 2hi6A16 GLU 103 HB3 0.01 -0.12 -0.10 -0.04 1.99 1.74 2hi6A16 GLU 103 HG2 -0.00 0.06 0.15 -0.04 2.34 2.51 2hi6A16 GLU 103 HG3 -0.00 -0.06 0.04 -0.04 2.34 2.28 2hi6A16 VAL 104 H -0.02 0.77 0.48 -0.55 8.24 8.91 2hi6A16 VAL 104 HA -0.13 0.02 0.71 -0.75 4.13 3.97 2hi6A16 VAL 104 HB -0.04 0.03 -0.01 -0.04 2.12 2.05 2hi6A16 VAL 104 HG13 -0.27 -0.07 -0.02 -0.04 0.97 0.56 2hi6A16 VAL 104 HG23 -0.64 0.06 -0.19 -0.04 0.95 0.13 2hi6A16 ARG 105 H -0.04 0.16 0.26 -0.55 8.46 8.30 2hi6A16 ARG 105 HA 0.03 0.22 0.78 -0.75 4.34 4.61 2hi6A16 ARG 105 HB2 0.01 -0.02 0.16 -0.04 1.90 2.02 2hi6A16 ARG 105 HB3 0.02 -0.01 0.09 -0.04 1.80 1.86 2hi6A16 ARG 105 HG2 0.01 0.04 0.01 -0.04 1.67 1.69 2hi6A16 ARG 105 HG3 0.00 0.02 0.07 -0.04 1.67 1.72 2hi6A16 ARG 105 HD2 0.02 0.01 0.04 -0.04 3.22 3.25 2hi6A16 ARG 105 HD3 0.02 -0.02 0.03 -0.04 3.22 3.20 2hi6A16 ASP 106 H -0.03 0.03 0.08 -0.55 8.40 7.93 2hi6A16 ASP 106 HA 0.03 0.17 0.50 -0.75 4.63 4.58 2hi6A16 ASP 106 HB2 -0.00 0.09 0.10 -0.04 2.71 2.85 2hi6A16 ASP 106 HB3 -0.16 -0.07 0.04 -0.04 2.70 2.46 2hi6A16 GLU 107 H 0.05 0.23 0.21 -0.55 8.60 8.54 2hi6A16 GLU 107 HA 0.28 0.16 0.48 -0.75 4.29 4.46 2hi6A16 GLU 107 HB2 0.05 0.00 0.12 -0.04 2.09 2.21 2hi6A16 GLU 107 HB3 0.06 0.04 0.07 -0.04 1.99 2.12 2hi6A16 GLU 107 HG2 0.03 0.05 0.03 -0.04 2.34 2.41 2hi6A16 GLU 107 HG3 0.05 0.02 0.12 -0.04 2.34 2.49 2hi6A16 LYS 108 H -0.02 0.10 -0.15 -0.55 8.42 7.79 2hi6A16 LYS 108 HA 0.00 0.12 0.29 -0.75 4.32 3.97 2hi6A16 LYS 108 HB2 -0.05 -0.02 0.03 -0.04 1.87 1.78 2hi6A16 LYS 108 HB3 0.02 0.08 -0.02 -0.04 1.79 1.83 2hi6A16 LYS 108 HG2 0.04 0.05 0.01 -0.04 1.46 1.52 2hi6A16 LYS 108 HG3 0.03 -0.04 0.02 -0.04 1.46 1.43 2hi6A16 LYS 108 HD2 0.10 0.00 -0.00 -0.04 1.69 1.75 2hi6A16 LYS 108 HD3 0.12 0.04 -0.01 -0.04 1.68 1.79 2hi6A16 LYS 108 HE2 0.05 -0.02 -0.00 -0.04 2.99 2.98 2hi6A16 LYS 108 HE3 0.06 0.03 -0.01 -0.04 2.99 3.04 2hi6A16 PHE 109 H -0.20 0.18 -0.64 -0.55 8.34 7.13 2hi6A16 PHE 109 HA -0.67 0.06 0.44 -0.75 4.62 3.70 2hi6A16 PHE 109 HB2 -0.67 -0.04 0.00 -0.04 3.15 2.41 2hi6A16 PHE 109 HB3 -0.58 0.13 -0.00 -0.04 3.06 2.56 2hi6A16 PHE 109 HD2 -0.71 0.00 -0.14 -0.04 7.28 6.39 2hi6A16 PHE 109 HE2 -0.20 0.01 -0.17 -0.04 7.38 6.97 2hi6A16 PHE 109 HZ -0.13 0.01 -0.19 -0.04 7.32 6.97 2hi6A16 PHE 110 H 0.07 0.27 -0.21 -0.55 8.34 7.92 2hi6A16 PHE 110 HA -0.26 0.07 0.31 -0.75 4.62 3.99 2hi6A16 PHE 110 HB2 -0.03 0.12 0.06 -0.04 3.15 3.25 2hi6A16 PHE 110 HB3 -0.05 0.01 -0.03 -0.04 3.06 2.95 2hi6A16 PHE 110 HD2 0.02 0.03 -0.04 -0.04 7.28 7.25 2hi6A16 PHE 110 HE2 0.09 0.03 -0.33 -0.04 7.38 7.13 2hi6A16 PHE 110 HZ 0.12 -0.01 -0.05 -0.04 7.32 7.34 2hi6A16 GLU 111 H 0.04 0.13 -0.33 -0.55 8.60 7.88 2hi6A16 GLU 111 HA 0.01 0.06 0.42 -0.75 4.29 4.03 2hi6A16 GLU 111 HB2 0.03 -0.05 0.01 -0.04 2.09 2.04 2hi6A16 GLU 111 HB3 0.00 0.07 0.14 -0.04 1.99 2.17 2hi6A16 GLU 111 HG2 0.02 0.06 -0.20 -0.04 2.34 2.18 2hi6A16 GLU 111 HG3 0.02 -0.01 -0.00 -0.04 2.34 2.30 2hi6A16 ALA 112 H -0.08 0.47 -0.22 -0.55 8.40 8.03 2hi6A16 ALA 112 HA -0.00 0.04 0.36 -0.75 4.34 3.99 2hi6A16 ALA 112 HB3 0.09 -0.03 0.06 -0.04 1.41 1.49 2hi6A16 VAL 113 H -0.31 0.52 -0.08 -0.55 8.24 7.82 2hi6A16 VAL 113 HA -0.17 -0.07 0.25 -0.75 4.13 3.37 2hi6A16 VAL 113 HB -0.79 -0.03 0.01 -0.04 2.12 1.27 2hi6A16 VAL 113 HG13 -0.48 0.01 -0.09 -0.04 0.97 0.37 2hi6A16 VAL 113 HG23 -0.24 -0.02 -0.21 -0.04 0.95 0.44 2hi6A16 LYS 114 H -0.10 0.09 0.17 -0.55 8.42 8.03 2hi6A16 LYS 114 HA -0.07 0.21 0.86 -0.75 4.32 4.57 2hi6A16 LYS 114 HB2 -0.04 -0.09 0.01 -0.04 1.87 1.70 2hi6A16 LYS 114 HB3 -0.04 0.03 -0.00 -0.04 1.79 1.73 2hi6A16 LYS 114 HG2 -0.05 0.21 -0.18 -0.04 1.46 1.40 2hi6A16 LYS 114 HG3 -0.03 -0.06 -0.04 -0.04 1.46 1.30 2hi6A16 LYS 114 HD2 -0.03 -0.10 0.01 -0.04 1.69 1.53 2hi6A16 LYS 114 HD3 -0.05 0.29 -0.18 -0.04 1.68 1.70 2hi6A16 LYS 114 HE2 -0.02 -0.11 -0.02 -0.04 2.99 2.79 2hi6A16 LYS 114 HE3 -0.02 -0.03 -0.02 -0.04 2.99 2.88 2hi6A16 THR 115 H -0.05 0.18 0.12 -0.55 8.28 7.98 2hi6A16 THR 115 HA -0.06 0.20 0.70 -0.75 4.39 4.48 2hi6A16 THR 115 HB -0.04 0.03 0.28 -0.04 4.32 4.54 2hi6A16 THR 115 HG23 -0.05 -0.00 0.09 -0.04 1.22 1.22 2hi6A16 GLY 116 H -0.04 0.50 0.48 -0.55 8.43 8.82 2hi6A16 GLY 116 HA2 -0.02 -0.01 0.38 -0.51 4.01 3.85 2hi6A16 GLY 116 HA3 -0.03 0.15 0.80 -0.51 4.01 4.42 2hi6A16 ASP 117 H -0.04 0.38 0.18 -0.55 8.40 8.38 2hi6A16 ASP 117 HA -0.02 0.15 0.78 -0.75 4.63 4.79 2hi6A16 ASP 117 HB2 -0.05 0.01 0.18 -0.04 2.71 2.81 2hi6A16 ASP 117 HB3 -0.03 0.09 0.17 -0.04 2.70 2.89 2hi6A16 ARG 118 H -0.02 0.35 0.31 -0.55 8.46 8.55 2hi6A16 ARG 118 HA -0.01 0.22 1.07 -0.75 4.34 4.86 2hi6A16 ARG 118 HB2 -0.01 0.02 -0.00 -0.04 1.90 1.86 2hi6A16 ARG 118 HB3 -0.01 -0.02 0.15 -0.04 1.80 1.87 2hi6A16 ARG 118 HG2 -0.00 0.01 -0.17 -0.04 1.67 1.47 2hi6A16 ARG 118 HG3 -0.00 -0.01 -0.14 -0.04 1.67 1.48 2hi6A16 ARG 118 HD2 0.00 0.01 -0.10 -0.04 3.22 3.08 2hi6A16 ARG 118 HD3 -0.00 0.01 -0.06 -0.04 3.22 3.13 2hi6A16 VAL 119 H -0.00 0.66 0.33 -0.55 8.24 8.68 2hi6A16 VAL 119 HA 0.00 0.11 1.17 -0.75 4.13 4.66 2hi6A16 VAL 119 HB 0.01 -0.03 -0.18 -0.04 2.12 1.89 2hi6A16 VAL 119 HG13 0.03 0.02 -0.14 -0.04 0.97 0.83 2hi6A16 VAL 119 HG23 0.08 -0.02 -0.39 -0.04 0.95 0.58 2hi6A16 VAL 120 H -0.01 0.84 0.31 -0.55 8.24 8.82 2hi6A16 VAL 120 HA 0.01 0.26 1.12 -0.75 4.13 4.76 2hi6A16 VAL 120 HB -0.01 -0.03 0.23 -0.04 2.12 2.27 2hi6A16 VAL 120 HG13 0.02 -0.01 -0.14 -0.04 0.97 0.81 2hi6A16 VAL 120 HG23 0.01 -0.00 -0.08 -0.04 0.95 0.84 2hi6A16 VAL 121 H 0.01 0.77 0.24 -0.55 8.24 8.72 2hi6A16 VAL 121 HA -0.04 0.15 1.11 -0.75 4.13 4.59 2hi6A16 VAL 121 HB 0.00 -0.04 -0.12 -0.04 2.12 1.92 2hi6A16 VAL 121 HG13 0.02 0.02 0.00 -0.04 0.97 0.98 2hi6A16 VAL 121 HG23 -0.01 -0.01 -0.32 -0.04 0.95 0.56 2hi6A16 ASN 122 H 0.02 0.88 0.34 -0.55 8.53 9.23 2hi6A16 ASN 122 HA 0.04 0.18 1.07 -0.75 4.76 5.30 2hi6A16 ASN 122 HB2 0.09 0.08 -0.01 -0.04 2.88 3.01 2hi6A16 ASN 122 HB3 0.17 0.02 0.25 -0.04 2.79 3.20 2hi6A16 ASN 122 HD21 0.09 0.07 0.01 -0.04 7.03 7.15 2hi6A16 ASN 122 HD22 0.04 0.06 -0.03 -0.04 7.74 7.76 2hi6A16 ALA 123 H 0.03 0.70 0.20 -0.55 8.40 8.79 2hi6A16 ALA 123 HA 0.02 -0.02 0.45 -0.75 4.34 4.04 2hi6A16 ALA 123 HB3 0.02 0.08 -0.25 -0.04 1.41 1.21 2hi6A16 ASP 124 H 0.03 0.04 -0.33 -0.55 8.40 7.59 2hi6A16 ASP 124 HA 0.02 0.12 0.58 -0.75 4.63 4.59 2hi6A16 ASP 124 HB2 0.02 -0.06 0.06 -0.04 2.71 2.69 2hi6A16 ASP 124 HB3 0.02 -0.04 0.01 -0.04 2.70 2.65 2hi6A16 GLU 125 H 0.04 0.00 -0.19 -0.55 8.60 7.92 2hi6A16 GLU 125 HA 0.01 0.24 0.83 -0.75 4.29 4.61 2hi6A16 GLU 125 HB2 0.00 -0.02 -0.03 -0.04 2.09 1.99 2hi6A16 GLU 125 HB3 0.04 -0.03 -0.01 -0.04 1.99 1.96 2hi6A16 GLU 125 HG2 0.01 0.06 -0.15 -0.04 2.34 2.21 2hi6A16 GLU 125 HG3 -0.02 0.02 0.03 -0.04 2.34 2.33 2hi6A16 GLY 126 H 0.06 0.13 0.07 -0.55 8.43 8.14 2hi6A16 GLY 126 HA2 0.03 -0.06 0.22 -0.51 4.01 3.68 2hi6A16 GLY 126 HA3 0.03 0.27 0.91 -0.51 4.01 4.71 2hi6A16 TYR 127 H 0.10 0.53 0.19 -0.55 8.29 8.56 2hi6A16 TYR 127 HA -0.01 0.17 1.04 -0.75 4.56 5.01 2hi6A16 TYR 127 HB2 -0.00 0.07 -0.23 -0.04 3.06 2.85 2hi6A16 TYR 127 HB3 -0.00 -0.06 0.12 -0.04 2.98 3.00 2hi6A16 TYR 127 HD2 0.00 -0.00 -0.12 -0.04 7.15 6.99 2hi6A16 TYR 127 HE2 -0.02 0.02 -0.20 -0.04 6.85 6.61 2hi6A16 VAL 128 H -0.23 0.72 0.24 -0.55 8.24 8.42 2hi6A16 VAL 128 HA -0.17 0.16 1.05 -0.75 4.13 4.41 2hi6A16 VAL 128 HB -0.18 -0.01 -0.20 -0.04 2.12 1.69 2hi6A16 VAL 128 HG13 -0.29 -0.00 -0.05 -0.04 0.97 0.59 2hi6A16 VAL 128 HG23 0.02 -0.01 -0.24 -0.04 0.95 0.68 2hi6A16 GLU 129 H -0.24 0.78 0.22 -0.55 8.60 8.81 2hi6A16 GLU 129 HA -0.27 -0.00 1.03 -0.75 4.29 4.30 2hi6A16 GLU 129 HB2 -0.50 -0.01 -0.01 -0.04 2.09 1.54 2hi6A16 GLU 129 HB3 -0.12 0.08 0.23 -0.04 1.99 2.14 2hi6A16 GLU 129 HG2 -0.04 -0.01 -0.25 -0.04 2.34 2.00 2hi6A16 GLU 129 HG3 -0.08 -0.02 -0.01 -0.04 2.34 2.19 2hi6A16 LEU 130 H -0.01 0.05 0.17 -0.55 8.37 8.04 2hi6A16 LEU 130 HA 0.01 0.11 0.84 -0.75 4.35 4.55 2hi6A16 LEU 130 HB2 0.08 -0.00 -0.01 -0.04 1.64 1.67 2hi6A16 LEU 130 HB3 0.05 -0.08 0.11 -0.04 1.64 1.68 2hi6A16 LEU 130 HG -0.02 0.05 -0.44 -0.04 1.64 1.19 2hi6A16 LEU 130 HD13 -0.05 0.03 -0.17 -0.04 0.93 0.70 2hi6A16 LEU 130 HD23 -0.05 0.00 -0.22 -0.04 0.89 0.58 2hi6A16 ILE 131 H -0.01 0.73 0.44 -0.55 8.25 8.86 2hi6A16 ILE 131 HA -0.01 0.08 0.88 -0.75 4.18 4.37 2hi6A16 ILE 131 HB -0.01 0.01 0.19 -0.04 1.89 2.04 2hi6A16 ILE 131 HG12 -0.01 0.02 -0.03 -0.04 1.49 1.43 2hi6A16 ILE 131 HG13 -0.00 -0.00 -0.05 -0.04 1.21 1.12 2hi6A16 ILE 131 HG23 -0.01 0.01 -0.06 -0.04 0.93 0.83 2hi6A16 ILE 131 HD13 -0.01 0.01 -0.18 -0.04 0.88 0.66 2hi6A16 GLU 132 H -0.01 0.18 0.07 -0.55 8.60 8.29 2hi6A16 GLU 132 HA -0.02 0.13 0.25 -0.75 4.29 3.90 2hi6A16 GLU 132 HB2 -0.01 0.00 0.10 -0.04 2.09 2.14 2hi6A16 GLU 132 HB3 -0.01 0.04 0.07 -0.04 1.99 2.05 2hi6A16 GLU 132 HG2 -0.01 0.05 -0.05 -0.04 2.34 2.29 2hi6A16 GLU 132 HG3 -0.01 0.00 -0.00 -0.04 2.34 2.29