============================================================================= 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 2.974 14.065 -5.585 -99.200 -91.000 TYR 23 0.840 -13.555 3.897 2.950 -99.200 -91.000 PHE 26 1.000 -3.629 -3.878 3.848 -99.200 -91.000 PHE 55 1.000 -5.342 0.056 0.311 -99.200 -91.000 TYR 66 0.840 3.062 -13.644 9.819 -99.200 -91.000 PHE 109 1.000 0.785 9.373 -4.244 -99.200 -91.000 PHE 110 1.000 -3.769 9.157 -1.622 -99.200 -91.000 TYR 127 0.840 12.537 9.682 -4.042 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2hi6A12 VAL 1 H -0.06 0.00 0.05 -0.55 8.24 7.69 2hi6A12 VAL 1 HA -0.15 -0.10 0.23 -0.75 4.13 3.35 2hi6A12 VAL 1 HB -0.20 -0.02 0.05 -0.04 2.12 1.91 2hi6A12 VAL 1 HG13 -0.51 -0.01 -0.20 -0.04 0.97 0.21 2hi6A12 VAL 1 HG23 -0.08 0.00 0.03 -0.04 0.95 0.86 2hi6A12 LYS 2 H -0.19 0.13 0.09 -0.55 8.42 7.90 2hi6A12 LYS 2 HA -0.01 0.41 1.08 -0.75 4.32 5.04 2hi6A12 LYS 2 HB2 -0.13 -0.04 0.11 -0.04 1.87 1.76 2hi6A12 LYS 2 HB3 -0.01 0.03 -0.10 -0.04 1.79 1.66 2hi6A12 LYS 2 HG2 0.19 0.01 -0.18 -0.04 1.46 1.43 2hi6A12 LYS 2 HG3 0.01 -0.02 -0.22 -0.04 1.46 1.19 2hi6A12 LYS 2 HD2 -0.30 0.02 -0.07 -0.04 1.69 1.30 2hi6A12 LYS 2 HD3 -0.10 0.01 -0.09 -0.04 1.68 1.47 2hi6A12 LYS 2 HE2 -0.11 -0.06 0.01 -0.04 2.99 2.79 2hi6A12 LYS 2 HE3 -0.11 0.02 -0.03 -0.04 2.99 2.83 2hi6A12 PHE 3 H 0.16 0.44 0.27 -0.55 8.34 8.65 2hi6A12 PHE 3 HA 0.01 0.13 0.82 -0.75 4.62 4.82 2hi6A12 PHE 3 HB2 -0.14 -0.03 0.06 -0.04 3.15 2.99 2hi6A12 PHE 3 HB3 -0.07 -0.01 -0.02 -0.04 3.06 2.91 2hi6A12 PHE 3 HD2 0.12 0.01 -0.03 -0.04 7.28 7.34 2hi6A12 PHE 3 HE2 0.10 0.01 -0.13 -0.04 7.38 7.32 2hi6A12 PHE 3 HZ 0.06 0.05 -0.07 -0.04 7.32 7.32 2hi6A12 ALA 4 H 0.09 0.13 0.17 -0.55 8.40 8.24 2hi6A12 ALA 4 HA 0.07 0.23 0.82 -0.75 4.34 4.71 2hi6A12 ALA 4 HB3 0.02 0.02 0.12 -0.04 1.41 1.52 2hi6A12 CYS 5 H 0.01 0.33 0.09 -0.55 8.50 8.39 2hi6A12 CYS 5 HA -0.04 0.18 0.96 -0.75 4.58 4.92 2hi6A12 CYS 5 HB2 -0.10 -0.06 -0.30 -0.04 2.97 2.46 2hi6A12 CYS 5 HB3 -0.11 0.18 -0.40 -0.04 2.97 2.60 2hi6A12 ARG 6 H -0.03 0.44 0.27 -0.55 8.46 8.58 2hi6A12 ARG 6 HA -0.01 0.22 0.87 -0.75 4.34 4.67 2hi6A12 ARG 6 HB2 -0.01 0.01 0.09 -0.04 1.90 1.95 2hi6A12 ARG 6 HB3 -0.02 -0.07 0.18 -0.04 1.80 1.85 2hi6A12 ARG 6 HG2 -0.02 0.07 -0.20 -0.04 1.67 1.48 2hi6A12 ARG 6 HG3 -0.01 0.05 0.07 -0.04 1.67 1.74 2hi6A12 ARG 6 HD2 -0.01 -0.01 0.01 -0.04 3.22 3.17 2hi6A12 ARG 6 HD3 -0.01 -0.06 -0.02 -0.04 3.22 3.09 2hi6A12 ALA 7 H -0.01 0.24 0.20 -0.55 8.40 8.28 2hi6A12 ALA 7 HA -0.04 0.05 0.73 -0.75 4.34 4.33 2hi6A12 ALA 7 HB3 -0.02 0.06 0.07 -0.04 1.41 1.47 2hi6A12 ILE 8 H -0.03 0.33 0.36 -0.55 8.25 8.36 2hi6A12 ILE 8 HA -0.02 0.19 0.95 -0.75 4.18 4.54 2hi6A12 ILE 8 HB -0.04 -0.04 0.13 -0.04 1.89 1.90 2hi6A12 ILE 8 HG12 -0.04 -0.09 -0.06 -0.04 1.49 1.26 2hi6A12 ILE 8 HG13 -0.03 0.07 -0.15 -0.04 1.21 1.07 2hi6A12 ILE 8 HG23 -0.04 -0.01 -0.08 -0.04 0.93 0.76 2hi6A12 ILE 8 HD13 -0.04 -0.01 -0.09 -0.04 0.88 0.71 2hi6A12 THR 9 H -0.03 0.08 0.27 -0.55 8.28 8.05 2hi6A12 THR 9 HA -0.03 0.22 0.85 -0.75 4.39 4.68 2hi6A12 THR 9 HB -0.03 0.09 0.02 -0.04 4.32 4.36 2hi6A12 THR 9 HG23 -0.04 -0.02 -0.07 -0.04 1.22 1.05 2hi6A12 ARG 10 H -0.02 0.17 0.08 -0.55 8.46 8.13 2hi6A12 ARG 10 HA -0.03 0.20 0.66 -0.75 4.34 4.41 2hi6A12 ARG 10 HB2 -0.01 0.02 -0.03 -0.04 1.90 1.84 2hi6A12 ARG 10 HB3 -0.02 -0.21 0.06 -0.04 1.80 1.59 2hi6A12 ARG 10 HG2 -0.02 0.24 -0.24 -0.04 1.67 1.62 2hi6A12 ARG 10 HG3 -0.02 0.01 -0.46 -0.04 1.67 1.16 2hi6A12 ARG 10 HD2 -0.01 -0.03 -0.05 -0.04 3.22 3.09 2hi6A12 ARG 10 HD3 -0.01 -0.09 0.03 -0.04 3.22 3.11 2hi6A12 GLY 11 H -0.02 0.04 0.08 -0.55 8.43 7.97 2hi6A12 GLY 11 HA2 -0.02 0.04 0.39 -0.51 4.01 3.91 2hi6A12 GLY 11 HA3 -0.02 0.36 0.89 -0.51 4.01 4.72 2hi6A12 ARG 12 H -0.02 0.33 0.24 -0.55 8.46 8.45 2hi6A12 ARG 12 HA -0.06 0.18 0.78 -0.75 4.34 4.49 2hi6A12 ARG 12 HB2 -0.05 0.12 0.13 -0.04 1.90 2.06 2hi6A12 ARG 12 HB3 -0.07 -0.18 0.09 -0.04 1.80 1.60 2hi6A12 ARG 12 HG2 -0.02 0.06 0.04 -0.04 1.67 1.71 2hi6A12 ARG 12 HG3 -0.02 0.02 -0.04 -0.04 1.67 1.58 2hi6A12 ARG 12 HD2 -0.02 0.01 -0.06 -0.04 3.22 3.11 2hi6A12 ARG 12 HD3 -0.03 -0.27 -0.22 -0.04 3.22 2.67 2hi6A12 ALA 13 H -0.04 0.51 0.35 -0.55 8.40 8.67 2hi6A12 ALA 13 HA -0.01 0.11 0.72 -0.75 4.34 4.41 2hi6A12 ALA 13 HB3 -0.00 0.03 -0.05 -0.04 1.41 1.35 2hi6A12 GLU 14 H 0.00 0.26 0.20 -0.55 8.60 8.52 2hi6A12 GLU 14 HA 0.01 0.26 1.09 -0.75 4.29 4.90 2hi6A12 GLU 14 HB2 0.01 -0.03 -0.01 -0.04 2.09 2.02 2hi6A12 GLU 14 HB3 0.01 0.01 0.12 -0.04 1.99 2.08 2hi6A12 GLU 14 HG2 0.01 0.03 -0.24 -0.04 2.34 2.11 2hi6A12 GLU 14 HG3 0.02 0.00 -0.04 -0.04 2.34 2.28 2hi6A12 GLY 15 H 0.02 0.45 0.28 -0.55 8.43 8.63 2hi6A12 GLY 15 HA2 0.01 0.14 0.50 -0.51 4.01 4.16 2hi6A12 GLY 15 HA3 0.02 0.06 0.34 -0.51 4.01 3.92 2hi6A12 GLU 16 H 0.01 0.27 0.25 -0.55 8.60 8.58 2hi6A12 GLU 16 HA 0.01 0.15 0.69 -0.75 4.29 4.39 2hi6A12 GLU 16 HB2 0.01 0.04 0.14 -0.04 2.09 2.24 2hi6A12 GLU 16 HB3 0.01 -0.02 0.11 -0.04 1.99 2.04 2hi6A12 GLU 16 HG2 0.01 0.02 -0.01 -0.04 2.34 2.32 2hi6A12 GLU 16 HG3 0.01 -0.00 0.03 -0.04 2.34 2.33 2hi6A12 ALA 17 H 0.01 0.71 0.48 -0.55 8.40 9.06 2hi6A12 ALA 17 HA 0.03 0.10 0.61 -0.75 4.34 4.32 2hi6A12 ALA 17 HB3 -0.00 -0.01 0.05 -0.04 1.41 1.40 2hi6A12 LEU 18 H 0.04 0.81 0.38 -0.55 8.37 9.05 2hi6A12 LEU 18 HA 0.01 0.07 0.97 -0.75 4.35 4.65 2hi6A12 LEU 18 HB2 0.02 0.04 -0.06 -0.04 1.64 1.59 2hi6A12 LEU 18 HB3 0.04 0.01 0.08 -0.04 1.64 1.73 2hi6A12 LEU 18 HG 0.00 0.02 -0.04 -0.04 1.64 1.58 2hi6A12 LEU 18 HD13 -0.01 0.00 -0.10 -0.04 0.93 0.78 2hi6A12 LEU 18 HD23 0.00 -0.03 -0.39 -0.04 0.89 0.43 2hi6A12 VAL 19 H 0.01 0.14 0.06 -0.55 8.24 7.91 2hi6A12 VAL 19 HA 0.10 0.46 1.01 -0.75 4.13 4.95 2hi6A12 VAL 19 HB 0.01 -0.10 0.13 -0.04 2.12 2.12 2hi6A12 VAL 19 HG13 0.09 0.04 -0.19 -0.04 0.97 0.87 2hi6A12 VAL 19 HG23 -0.02 0.05 -0.38 -0.04 0.95 0.56 2hi6A12 THR 20 H 0.13 0.51 0.15 -0.55 8.28 8.52 2hi6A12 THR 20 HA -0.02 -0.01 0.80 -0.75 4.39 4.41 2hi6A12 THR 20 HB 0.04 0.05 0.15 -0.04 4.32 4.53 2hi6A12 THR 20 HG23 -0.15 -0.05 0.03 -0.04 1.22 1.00 2hi6A12 LYS 21 H -0.04 0.11 0.21 -0.55 8.42 8.15 2hi6A12 LYS 21 HA -0.03 0.16 0.42 -0.75 4.32 4.11 2hi6A12 LYS 21 HB2 -0.07 -0.08 0.09 -0.04 1.87 1.77 2hi6A12 LYS 21 HB3 -0.06 0.03 0.07 -0.04 1.79 1.79 2hi6A12 LYS 21 HG2 -0.03 0.03 0.04 -0.04 1.46 1.45 2hi6A12 LYS 21 HG3 -0.02 0.07 -0.02 -0.04 1.46 1.45 2hi6A12 LYS 21 HD2 -0.02 0.02 0.19 -0.04 1.69 1.84 2hi6A12 LYS 21 HD3 -0.04 -0.07 0.10 -0.04 1.68 1.63 2hi6A12 LYS 21 HE2 -0.02 0.00 0.05 -0.04 2.99 2.98 2hi6A12 LYS 21 HE3 -0.01 0.05 0.07 -0.04 2.99 3.06 2hi6A12 GLU 22 H -0.11 -0.10 -0.14 -0.55 8.60 7.69 2hi6A12 GLU 22 HA -0.50 0.20 0.65 -0.75 4.29 3.89 2hi6A12 GLU 22 HB2 -0.18 -0.13 -0.02 -0.04 2.09 1.72 2hi6A12 GLU 22 HB3 -0.30 0.08 -0.09 -0.04 1.99 1.64 2hi6A12 GLU 22 HG2 -0.15 -0.08 -0.06 -0.04 2.34 2.00 2hi6A12 GLU 22 HG3 -0.15 0.00 -0.08 -0.04 2.34 2.07 2hi6A12 TYR 23 H -1.16 0.18 0.05 -0.55 8.29 6.82 2hi6A12 TYR 23 HA 0.18 0.06 0.72 -0.75 4.56 4.77 2hi6A12 TYR 23 HB2 0.07 -0.00 -0.01 -0.04 3.06 3.08 2hi6A12 TYR 23 HB3 0.09 0.07 -0.01 -0.04 2.98 3.09 2hi6A12 TYR 23 HD2 0.01 0.01 0.06 -0.04 7.15 7.19 2hi6A12 TYR 23 HE2 -0.01 0.02 0.03 -0.04 6.85 6.86 2hi6A12 ILE 24 H -0.15 0.24 0.02 -0.55 8.25 7.82 2hi6A12 ILE 24 HA -0.07 0.10 0.65 -0.75 4.18 4.11 2hi6A12 ILE 24 HB -0.27 0.07 0.04 -0.04 1.89 1.69 2hi6A12 ILE 24 HG12 -0.85 0.03 0.07 -0.04 1.49 0.70 2hi6A12 ILE 24 HG13 -0.94 0.00 -0.10 -0.04 1.21 0.12 2hi6A12 ILE 24 HG23 -0.20 -0.00 -0.06 -0.04 0.93 0.62 2hi6A12 ILE 24 HD13 -0.55 -0.02 -0.06 -0.04 0.88 0.22 2hi6A12 SER 25 H -0.06 0.10 0.18 -0.55 8.46 8.13 2hi6A12 SER 25 HA 0.11 0.61 0.75 -0.75 4.49 5.21 2hi6A12 SER 25 HB2 0.02 -0.09 0.09 -0.04 3.95 3.93 2hi6A12 SER 25 HB3 0.09 0.06 0.18 -0.04 3.93 4.22 2hi6A12 PHE 26 H 0.34 0.78 0.44 -0.55 8.34 9.35 2hi6A12 PHE 26 HA 0.04 0.08 0.61 -0.75 4.62 4.59 2hi6A12 PHE 26 HB2 0.06 -0.02 0.38 -0.04 3.15 3.52 2hi6A12 PHE 26 HB3 0.05 -0.08 0.28 -0.04 3.06 3.27 2hi6A12 PHE 26 HD2 0.11 0.02 -0.03 -0.04 7.28 7.34 2hi6A12 PHE 26 HE2 0.22 -0.01 -0.04 -0.04 7.38 7.50 2hi6A12 PHE 26 HZ 0.30 0.04 -0.07 -0.04 7.32 7.55 2hi6A12 LEU 27 H 0.08 0.11 -0.70 -0.55 8.37 7.32 2hi6A12 LEU 27 HA 0.09 0.04 0.29 -0.75 4.35 4.02 2hi6A12 LEU 27 HB2 0.04 0.05 -0.11 -0.04 1.64 1.58 2hi6A12 LEU 27 HB3 0.05 0.02 0.06 -0.04 1.64 1.73 2hi6A12 LEU 27 HG 0.08 -0.01 -0.02 -0.04 1.64 1.65 2hi6A12 LEU 27 HD13 0.04 0.01 -0.04 -0.04 0.93 0.90 2hi6A12 LEU 27 HD23 0.08 -0.00 -0.17 -0.04 0.89 0.75 2hi6A12 GLY 28 H 0.03 0.02 -0.58 -0.55 8.43 7.35 2hi6A12 GLY 28 HA2 0.03 0.01 0.20 -0.51 4.01 3.73 2hi6A12 GLY 28 HA3 0.02 0.25 0.90 -0.51 4.01 4.67 2hi6A12 GLY 29 H -0.04 0.07 0.12 -0.55 8.43 8.04 2hi6A12 GLY 29 HA2 -0.04 0.23 0.86 -0.51 4.01 4.55 2hi6A12 GLY 29 HA3 -0.09 0.09 0.33 -0.51 4.01 3.83 2hi6A12 ILE 30 H -0.04 -0.01 0.05 -0.55 8.25 7.69 2hi6A12 ILE 30 HA -0.04 0.12 0.53 -0.75 4.18 4.03 2hi6A12 ILE 30 HB -0.02 -0.03 -0.03 -0.04 1.89 1.77 2hi6A12 ILE 30 HG12 -0.05 0.11 -0.08 -0.04 1.49 1.42 2hi6A12 ILE 30 HG13 -0.09 -0.01 -0.18 -0.04 1.21 0.89 2hi6A12 ILE 30 HG23 -0.01 0.09 -0.30 -0.04 0.93 0.67 2hi6A12 ILE 30 HD13 -0.13 -0.06 -0.03 -0.04 0.88 0.61 2hi6A12 ASP 31 H -0.02 0.74 0.13 -0.55 8.40 8.70 2hi6A12 ASP 31 HA -0.00 0.11 0.58 -0.75 4.63 4.55 2hi6A12 ASP 31 HB2 -0.01 0.15 0.12 -0.04 2.71 2.93 2hi6A12 ASP 31 HB3 -0.01 -0.15 0.22 -0.04 2.70 2.71 2hi6A12 LYS 32 H 0.00 0.18 0.15 -0.55 8.42 8.20 2hi6A12 LYS 32 HA 0.01 0.13 0.16 -0.75 4.32 3.87 2hi6A12 LYS 32 HB2 0.02 0.07 0.03 -0.04 1.87 1.95 2hi6A12 LYS 32 HB3 0.02 0.02 0.06 -0.04 1.79 1.85 2hi6A12 LYS 32 HG2 0.01 -0.08 0.11 -0.04 1.46 1.46 2hi6A12 LYS 32 HG3 0.01 0.04 -0.10 -0.04 1.46 1.36 2hi6A12 LYS 32 HD2 0.01 0.04 -0.03 -0.04 1.69 1.67 2hi6A12 LYS 32 HD3 0.01 0.00 0.01 -0.04 1.68 1.66 2hi6A12 LYS 32 HE2 0.01 -0.02 0.01 -0.04 2.99 2.94 2hi6A12 LYS 32 HE3 0.01 0.01 -0.02 -0.04 2.99 2.94 2hi6A12 GLU 33 H 0.00 -0.14 -0.38 -0.55 8.60 7.53 2hi6A12 GLU 33 HA 0.01 0.30 0.78 -0.75 4.29 4.62 2hi6A12 GLU 33 HB2 0.00 -0.10 0.05 -0.04 2.09 2.00 2hi6A12 GLU 33 HB3 0.00 0.09 -0.02 -0.04 1.99 2.02 2hi6A12 GLU 33 HG2 0.00 0.11 -0.09 -0.04 2.34 2.32 2hi6A12 GLU 33 HG3 0.00 -0.14 -0.12 -0.04 2.34 2.05 2hi6A12 THR 34 H -0.00 -0.14 -0.01 -0.55 8.28 7.58 2hi6A12 THR 34 HA -0.00 0.28 0.63 -0.75 4.39 4.54 2hi6A12 THR 34 HB -0.01 0.07 0.02 -0.04 4.32 4.37 2hi6A12 THR 34 HG23 -0.00 0.02 -0.05 -0.04 1.22 1.15 2hi6A12 GLY 35 H -0.00 0.15 -0.05 -0.55 8.43 7.98 2hi6A12 GLY 35 HA2 -0.00 0.17 0.28 -0.51 4.01 3.95 2hi6A12 GLY 35 HA3 -0.00 0.15 0.68 -0.51 4.01 4.33 2hi6A12 ILE 36 H -0.01 -0.07 -0.21 -0.55 8.25 7.41 2hi6A12 ILE 36 HA -0.02 0.42 0.63 -0.75 4.18 4.45 2hi6A12 ILE 36 HB -0.02 -0.12 -0.00 -0.04 1.89 1.71 2hi6A12 ILE 36 HG12 -0.01 -0.12 -0.21 -0.04 1.49 1.11 2hi6A12 ILE 36 HG13 -0.01 0.03 -0.10 -0.04 1.21 1.09 2hi6A12 ILE 36 HG23 -0.02 0.07 -0.22 -0.04 0.93 0.72 2hi6A12 ILE 36 HD13 -0.01 0.06 -0.41 -0.04 0.88 0.48 2hi6A12 VAL 37 H -0.04 0.40 0.21 -0.55 8.24 8.26 2hi6A12 VAL 37 HA -0.05 0.15 0.70 -0.75 4.13 4.17 2hi6A12 VAL 37 HB -0.09 -0.06 -0.23 -0.04 2.12 1.70 2hi6A12 VAL 37 HG13 -0.10 0.01 -0.15 -0.04 0.97 0.69 2hi6A12 VAL 37 HG23 -0.06 0.00 -0.08 -0.04 0.95 0.77 2hi6A12 LYS 38 H -0.04 0.91 0.38 -0.55 8.42 9.11 2hi6A12 LYS 38 HA -0.03 0.15 0.75 -0.75 4.32 4.44 2hi6A12 LYS 38 HB2 -0.03 0.06 0.05 -0.04 1.87 1.92 2hi6A12 LYS 38 HB3 -0.02 -0.01 0.10 -0.04 1.79 1.82 2hi6A12 LYS 38 HG2 -0.02 0.04 -0.04 -0.04 1.46 1.39 2hi6A12 LYS 38 HG3 -0.01 -0.01 -0.05 -0.04 1.46 1.34 2hi6A12 LYS 38 HD2 -0.02 0.01 -0.02 -0.04 1.69 1.62 2hi6A12 LYS 38 HD3 -0.02 0.05 -0.20 -0.04 1.68 1.46 2hi6A12 LYS 38 HE2 -0.01 -0.02 -0.06 -0.04 2.99 2.85 2hi6A12 LYS 38 HE3 -0.01 -0.03 -0.03 -0.04 2.99 2.88 2hi6A12 GLU 39 H -0.06 0.11 -0.08 -0.55 8.60 8.02 2hi6A12 GLU 39 HA -0.04 0.25 0.92 -0.75 4.29 4.66 2hi6A12 GLU 39 HB2 -0.04 0.08 -0.06 -0.04 2.09 2.04 2hi6A12 GLU 39 HB3 -0.06 -0.10 0.22 -0.04 1.99 2.01 2hi6A12 GLU 39 HG2 -0.03 -0.03 -0.01 -0.04 2.34 2.23 2hi6A12 GLU 39 HG3 -0.05 -0.05 -0.08 -0.04 2.34 2.12 2hi6A12 ASP 40 H -0.06 0.35 -0.07 -0.55 8.40 8.08 2hi6A12 ASP 40 HA -0.10 0.16 0.57 -0.75 4.63 4.51 2hi6A12 ASP 40 HB2 -0.09 0.08 -0.40 -0.04 2.71 2.26 2hi6A12 ASP 40 HB3 -0.07 0.04 -0.11 -0.04 2.70 2.53 2hi6A12 CYS 41 H -0.08 -0.25 0.18 -0.55 8.50 7.80 2hi6A12 CYS 41 HA -0.05 0.25 0.69 -0.75 4.58 4.71 2hi6A12 CYS 41 HB2 -0.08 0.11 -0.26 -0.04 2.97 2.70 2hi6A12 CYS 41 HB3 -0.09 -0.10 -0.02 -0.04 2.97 2.71 2hi6A12 GLU 42 H -0.07 -0.23 0.25 -0.55 8.60 8.00 2hi6A12 GLU 42 HA -0.04 0.35 0.93 -0.75 4.29 4.77 2hi6A12 GLU 42 HB2 -0.06 -0.19 0.23 -0.04 2.09 2.02 2hi6A12 GLU 42 HB3 -0.04 0.15 0.05 -0.04 1.99 2.11 2hi6A12 GLU 42 HG2 -0.06 -0.04 -0.12 -0.04 2.34 2.08 2hi6A12 GLU 42 HG3 -0.05 -0.04 0.08 -0.04 2.34 2.28 2hi6A12 ILE 43 H -0.06 -0.11 0.16 -0.55 8.25 7.68 2hi6A12 ILE 43 HA -0.03 0.33 0.68 -0.75 4.18 4.41 2hi6A12 ILE 43 HB -0.04 0.08 0.06 -0.04 1.89 1.95 2hi6A12 ILE 43 HG12 -0.09 -0.17 0.02 -0.04 1.49 1.21 2hi6A12 ILE 43 HG13 -0.07 0.00 -0.30 -0.04 1.21 0.80 2hi6A12 ILE 43 HG23 -0.03 0.00 -0.11 -0.04 0.93 0.75 2hi6A12 ILE 43 HD13 -0.08 0.03 -0.12 -0.04 0.88 0.66 2hi6A12 LYS 44 H -0.05 -0.11 -0.49 -0.55 8.42 7.21 2hi6A12 LYS 44 HA -0.05 0.03 0.33 -0.75 4.32 3.89 2hi6A12 LYS 44 HB2 -0.05 -0.23 -0.28 -0.04 1.87 1.27 2hi6A12 LYS 44 HB3 -0.04 0.10 -0.19 -0.04 1.79 1.62 2hi6A12 LYS 44 HG2 -0.03 0.07 -0.37 -0.04 1.46 1.09 2hi6A12 LYS 44 HG3 -0.04 0.05 -0.17 -0.04 1.46 1.26 2hi6A12 LYS 44 HD2 -0.03 0.03 -0.17 -0.04 1.69 1.47 2hi6A12 LYS 44 HD3 -0.03 0.03 -0.13 -0.04 1.68 1.51 2hi6A12 LYS 44 HE2 -0.02 0.01 -0.09 -0.04 2.99 2.84 2hi6A12 LYS 44 HE3 -0.02 0.03 -0.07 -0.04 2.99 2.89 2hi6A12 GLY 45 H -0.03 0.19 0.25 -0.55 8.43 8.29 2hi6A12 GLY 45 HA2 -0.02 -0.01 0.33 -0.51 4.01 3.80 2hi6A12 GLY 45 HA3 -0.02 0.21 0.83 -0.51 4.01 4.53 2hi6A12 GLU 46 H -0.03 0.53 0.11 -0.55 8.60 8.67 2hi6A12 GLU 46 HA -0.02 0.19 0.81 -0.75 4.29 4.51 2hi6A12 GLU 46 HB2 -0.02 0.05 0.08 -0.04 2.09 2.15 2hi6A12 GLU 46 HB3 -0.02 0.02 0.10 -0.04 1.99 2.05 2hi6A12 GLU 46 HG2 -0.01 0.03 -0.07 -0.04 2.34 2.24 2hi6A12 GLU 46 HG3 -0.02 0.01 -0.22 -0.04 2.34 2.07 2hi6A12 SER 47 H -0.01 0.17 0.14 -0.55 8.46 8.22 2hi6A12 SER 47 HA -0.02 0.30 0.76 -0.75 4.49 4.77 2hi6A12 SER 47 HB2 -0.01 0.02 -0.12 -0.04 3.95 3.80 2hi6A12 SER 47 HB3 -0.01 0.03 0.04 -0.04 3.93 3.95 2hi6A12 VAL 48 H -0.01 0.55 0.23 -0.55 8.24 8.46 2hi6A12 VAL 48 HA -0.00 0.15 0.77 -0.75 4.13 4.29 2hi6A12 VAL 48 HB 0.01 -0.04 0.12 -0.04 2.12 2.17 2hi6A12 VAL 48 HG13 -0.04 -0.01 -0.11 -0.04 0.97 0.77 2hi6A12 VAL 48 HG23 -0.01 0.09 -0.04 -0.04 0.95 0.95 2hi6A12 ALA 49 H 0.00 0.03 -0.18 -0.55 8.40 7.70 2hi6A12 ALA 49 HA 0.01 0.22 0.04 -0.75 4.34 3.86 2hi6A12 ALA 49 HB3 0.01 0.05 0.14 -0.04 1.41 1.56 2hi6A12 GLY 50 H 0.02 0.41 0.39 -0.55 8.43 8.70 2hi6A12 GLY 50 HA2 0.01 0.05 0.31 -0.51 4.01 3.88 2hi6A12 GLY 50 HA3 0.01 0.19 0.88 -0.51 4.01 4.58 2hi6A12 ARG 51 H 0.02 0.41 0.06 -0.55 8.46 8.40 2hi6A12 ARG 51 HA 0.02 0.14 1.00 -0.75 4.34 4.75 2hi6A12 ARG 51 HB2 0.02 -0.03 -0.00 -0.04 1.90 1.84 2hi6A12 ARG 51 HB3 0.02 0.06 0.03 -0.04 1.80 1.87 2hi6A12 ARG 51 HG2 0.01 -0.01 -0.13 -0.04 1.67 1.50 2hi6A12 ARG 51 HG3 0.01 -0.01 -0.43 -0.04 1.67 1.20 2hi6A12 ARG 51 HD2 0.00 0.23 0.04 -0.04 3.22 3.44 2hi6A12 ARG 51 HD3 0.00 -0.07 -0.08 -0.04 3.22 3.03 2hi6A12 ILE 52 H 0.03 0.77 0.23 -0.55 8.25 8.73 2hi6A12 ILE 52 HA 0.05 0.07 0.98 -0.75 4.18 4.53 2hi6A12 ILE 52 HB 0.05 -0.00 -0.04 -0.04 1.89 1.85 2hi6A12 ILE 52 HG12 0.03 -0.01 -0.27 -0.04 1.49 1.20 2hi6A12 ILE 52 HG13 0.03 -0.06 -0.24 -0.04 1.21 0.89 2hi6A12 ILE 52 HG23 0.07 -0.02 -0.38 -0.04 0.93 0.56 2hi6A12 ILE 52 HD13 0.03 0.00 -0.14 -0.04 0.88 0.73 2hi6A12 LEU 53 H 0.09 0.68 0.34 -0.55 8.37 8.93 2hi6A12 LEU 53 HA 0.11 0.14 0.66 -0.75 4.35 4.51 2hi6A12 LEU 53 HB2 0.09 0.03 0.08 -0.04 1.64 1.81 2hi6A12 LEU 53 HB3 0.20 0.00 0.24 -0.04 1.64 2.05 2hi6A12 LEU 53 HG 0.45 -0.04 -0.20 -0.04 1.64 1.81 2hi6A12 LEU 53 HD13 -0.01 0.01 -0.06 -0.04 0.93 0.83 2hi6A12 LEU 53 HD23 -0.03 -0.01 -0.05 -0.04 0.89 0.76 2hi6A12 VAL 54 H 0.16 0.87 0.40 -0.55 8.24 9.12 2hi6A12 VAL 54 HA 0.20 0.26 1.09 -0.75 4.13 4.92 2hi6A12 VAL 54 HB 0.12 -0.03 0.05 -0.04 2.12 2.22 2hi6A12 VAL 54 HG13 0.26 0.03 -0.17 -0.04 0.97 1.05 2hi6A12 VAL 54 HG23 0.13 -0.01 -0.28 -0.04 0.95 0.75 2hi6A12 PHE 55 H 0.07 0.32 0.14 -0.55 8.34 8.32 2hi6A12 PHE 55 HA 0.09 0.31 0.72 -0.75 4.62 4.97 2hi6A12 PHE 55 HB2 0.01 0.17 0.17 -0.04 3.15 3.47 2hi6A12 PHE 55 HB3 0.02 -0.12 0.03 -0.04 3.06 2.95 2hi6A12 PHE 55 HD2 0.05 -0.08 -0.14 -0.04 7.28 7.07 2hi6A12 PHE 55 HE2 0.05 0.03 -0.03 -0.04 7.38 7.39 2hi6A12 PHE 55 HZ -0.28 -0.03 -0.07 -0.04 7.32 6.89 2hi6A12 PRO 56 HA -0.18 0.00 0.48 -0.51 4.44 4.23 2hi6A12 PRO 56 HB2 0.08 0.13 0.06 -0.04 2.28 2.51 2hi6A12 PRO 56 HB3 -0.10 0.04 0.12 -0.04 2.02 2.04 2hi6A12 PRO 56 HG2 0.28 -0.11 -0.05 -0.04 2.03 2.10 2hi6A12 PRO 56 HG3 0.11 0.14 -0.02 -0.04 2.03 2.22 2hi6A12 PRO 56 HD2 0.23 0.29 0.16 -0.04 3.68 4.32 2hi6A12 PRO 56 HD3 -0.05 0.16 0.13 -0.04 3.65 3.84 2hi6A12 GLY 57 H 0.28 0.08 -0.09 -0.55 8.43 8.16 2hi6A12 GLY 57 HA2 0.12 -0.02 0.29 -0.51 4.01 3.89 2hi6A12 GLY 57 HA3 -0.02 0.39 0.94 -0.51 4.01 4.81 2hi6A12 GLY 58 H 0.39 0.17 -0.01 -0.55 8.43 8.43 2hi6A12 GLY 58 HA2 0.10 -0.01 0.34 -0.51 4.01 3.93 2hi6A12 GLY 58 HA3 0.15 0.14 0.32 -0.51 4.01 4.11 2hi6A12 LYS 59 H 0.09 0.15 0.05 -0.55 8.42 8.16 2hi6A12 LYS 59 HA 0.08 -0.04 0.37 -0.75 4.32 3.98 2hi6A12 LYS 59 HB2 0.11 0.14 -0.16 -0.04 1.87 1.91 2hi6A12 LYS 59 HB3 0.08 -0.00 0.01 -0.04 1.79 1.84 2hi6A12 LYS 59 HG2 0.04 -0.00 0.01 -0.04 1.46 1.47 2hi6A12 LYS 59 HG3 0.05 -0.00 -0.10 -0.04 1.46 1.37 2hi6A12 LYS 59 HD2 0.04 -0.01 -0.04 -0.04 1.69 1.65 2hi6A12 LYS 59 HD3 0.03 0.05 -0.03 -0.04 1.68 1.68 2hi6A12 LYS 59 HE2 0.06 0.04 -0.09 -0.04 2.99 2.95 2hi6A12 LYS 59 HE3 0.07 -0.05 -0.07 -0.04 2.99 2.89 2hi6A12 GLY 60 H 0.08 0.03 0.11 -0.55 8.43 8.10 2hi6A12 GLY 60 HA2 0.29 0.13 0.98 -0.51 4.01 4.90 2hi6A12 GLY 60 HA3 -0.04 0.03 0.37 -0.51 4.01 3.86 2hi6A12 SER 61 H 0.01 -0.03 0.13 -0.55 8.46 8.03 2hi6A12 SER 61 HA 0.02 0.08 0.32 -0.75 4.49 4.15 2hi6A12 SER 61 HB2 0.05 0.03 -0.20 -0.04 3.95 3.78 2hi6A12 SER 61 HB3 0.06 0.17 -0.02 -0.04 3.93 4.10 2hi6A12 THR 62 H 0.03 0.19 0.14 -0.55 8.28 8.09 2hi6A12 THR 62 HA 0.03 0.09 0.35 -0.75 4.39 4.12 2hi6A12 THR 62 HB 0.05 0.05 0.04 -0.04 4.32 4.41 2hi6A12 THR 62 HG23 0.08 0.02 0.02 -0.04 1.22 1.30 2hi6A12 VAL 63 H 0.06 0.01 -0.20 -0.55 8.24 7.55 2hi6A12 VAL 63 HA 0.09 0.08 0.45 -0.75 4.13 4.00 2hi6A12 VAL 63 HB 0.06 -0.02 0.09 -0.04 2.12 2.20 2hi6A12 VAL 63 HG13 0.08 0.01 -0.04 -0.04 0.97 0.98 2hi6A12 VAL 63 HG23 0.07 0.06 -0.02 -0.04 0.95 1.02 2hi6A12 GLY 64 H 0.07 0.28 -0.41 -0.55 8.43 7.83 2hi6A12 GLY 64 HA2 0.17 0.15 0.48 -0.51 4.01 4.30 2hi6A12 GLY 64 HA3 0.12 -0.08 0.36 -0.51 4.01 3.90 2hi6A12 SER 65 H 0.07 0.48 -0.20 -0.55 8.46 8.27 2hi6A12 SER 65 HA -0.10 0.17 0.84 -0.75 4.49 4.64 2hi6A12 SER 65 HB2 -0.31 0.01 0.03 -0.04 3.95 3.63 2hi6A12 SER 65 HB3 -0.10 0.05 -0.24 -0.04 3.93 3.60 2hi6A12 TYR 66 H 0.16 0.30 0.17 -0.55 8.29 8.36 2hi6A12 TYR 66 HA 0.01 0.13 0.42 -0.75 4.56 4.37 2hi6A12 TYR 66 HB2 0.02 0.05 0.13 -0.04 3.06 3.21 2hi6A12 TYR 66 HB3 0.01 0.04 0.11 -0.04 2.98 3.10 2hi6A12 TYR 66 HD2 0.01 0.04 0.08 -0.04 7.15 7.23 2hi6A12 TYR 66 HE2 0.00 0.02 0.01 -0.04 6.85 6.84 2hi6A12 VAL 67 H 0.13 0.10 -0.26 -0.55 8.24 7.66 2hi6A12 VAL 67 HA 0.09 0.10 0.45 -0.75 4.13 4.01 2hi6A12 VAL 67 HB 0.12 -0.04 0.04 -0.04 2.12 2.20 2hi6A12 VAL 67 HG13 0.07 -0.00 -0.11 -0.04 0.97 0.88 2hi6A12 VAL 67 HG23 0.10 0.06 0.07 -0.04 0.95 1.14 2hi6A12 LEU 68 H 0.07 0.23 -0.27 -0.55 8.37 7.86 2hi6A12 LEU 68 HA 0.07 0.06 0.31 -0.75 4.35 4.03 2hi6A12 LEU 68 HB2 0.02 0.17 -0.01 -0.04 1.64 1.78 2hi6A12 LEU 68 HB3 0.04 0.07 -0.09 -0.04 1.64 1.62 2hi6A12 LEU 68 HG 0.09 0.04 -0.07 -0.04 1.64 1.66 2hi6A12 LEU 68 HD13 0.15 0.01 -0.05 -0.04 0.93 0.99 2hi6A12 LEU 68 HD23 0.20 -0.03 -0.10 -0.04 0.89 0.91 2hi6A12 LEU 69 H 0.04 0.14 -0.34 -0.55 8.37 7.66 2hi6A12 LEU 69 HA 0.03 0.11 0.35 -0.75 4.35 4.09 2hi6A12 LEU 69 HB2 0.00 0.01 0.08 -0.04 1.64 1.69 2hi6A12 LEU 69 HB3 0.10 0.08 0.15 -0.04 1.64 1.93 2hi6A12 LEU 69 HG 0.07 0.00 -0.17 -0.04 1.64 1.49 2hi6A12 LEU 69 HD13 0.02 -0.01 -0.13 -0.04 0.93 0.77 2hi6A12 LEU 69 HD23 0.12 -0.01 -0.01 -0.04 0.89 0.94 2hi6A12 ASN 70 H 0.07 0.49 -0.13 -0.55 8.53 8.41 2hi6A12 ASN 70 HA 0.04 0.07 0.49 -0.75 4.76 4.61 2hi6A12 ASN 70 HB2 0.07 0.06 0.15 -0.04 2.88 3.11 2hi6A12 ASN 70 HB3 0.05 0.03 0.06 -0.04 2.79 2.89 2hi6A12 ASN 70 HD21 0.03 -0.02 -0.03 -0.04 7.03 6.97 2hi6A12 ASN 70 HD22 0.02 -0.01 -0.01 -0.04 7.74 7.70 2hi6A12 LEU 71 H 0.05 0.59 -0.11 -0.55 8.37 8.35 2hi6A12 LEU 71 HA 0.03 0.09 0.40 -0.75 4.35 4.12 2hi6A12 LEU 71 HB2 0.04 0.10 0.04 -0.04 1.64 1.78 2hi6A12 LEU 71 HB3 0.03 -0.02 -0.34 -0.04 1.64 1.28 2hi6A12 LEU 71 HG 0.05 0.30 -0.01 -0.04 1.64 1.94 2hi6A12 LEU 71 HD13 0.04 -0.03 -0.18 -0.04 0.93 0.73 2hi6A12 LEU 71 HD23 0.02 0.01 -0.17 -0.04 0.89 0.71 2hi6A12 ARG 72 H 0.03 0.44 -0.36 -0.55 8.46 8.02 2hi6A12 ARG 72 HA 0.02 -0.01 0.37 -0.75 4.34 3.96 2hi6A12 ARG 72 HB2 0.03 0.09 0.16 -0.04 1.90 2.14 2hi6A12 ARG 72 HB3 0.02 0.11 0.16 -0.04 1.80 2.05 2hi6A12 ARG 72 HG2 0.02 -0.05 0.09 -0.04 1.67 1.68 2hi6A12 ARG 72 HG3 0.01 0.30 0.15 -0.04 1.67 2.09 2hi6A12 ARG 72 HD2 0.02 -0.03 -0.07 -0.04 3.22 3.09 2hi6A12 ARG 72 HD3 0.02 -0.04 -0.35 -0.04 3.22 2.81 2hi6A12 LYS 73 H 0.03 0.35 -0.27 -0.55 8.42 7.98 2hi6A12 LYS 73 HA 0.02 0.07 0.47 -0.75 4.32 4.13 2hi6A12 LYS 73 HB2 0.02 0.09 0.12 -0.04 1.87 2.07 2hi6A12 LYS 73 HB3 0.02 -0.06 0.09 -0.04 1.79 1.80 2hi6A12 LYS 73 HG2 0.02 -0.01 0.04 -0.04 1.46 1.47 2hi6A12 LYS 73 HG3 0.03 0.24 0.13 -0.04 1.46 1.82 2hi6A12 LYS 73 HD2 0.02 -0.04 0.02 -0.04 1.69 1.66 2hi6A12 LYS 73 HD3 0.02 -0.02 0.02 -0.04 1.68 1.66 2hi6A12 LYS 73 HE2 0.03 -0.05 -0.01 -0.04 2.99 2.92 2hi6A12 LYS 73 HE3 0.03 0.03 -0.02 -0.04 2.99 2.99 2hi6A12 ASN 74 H 0.02 0.25 -0.39 -0.55 8.53 7.86 2hi6A12 ASN 74 HA 0.01 0.10 0.61 -0.75 4.76 4.73 2hi6A12 ASN 74 HB2 0.02 -0.00 0.12 -0.04 2.88 2.97 2hi6A12 ASN 74 HB3 0.01 -0.02 0.11 -0.04 2.79 2.85 2hi6A12 ASN 74 HD21 0.01 0.34 0.26 -0.04 7.03 7.60 2hi6A12 ASN 74 HD22 0.01 -0.10 0.17 -0.04 7.74 7.78 2hi6A12 GLY 75 H 0.02 0.22 -0.34 -0.55 8.43 7.79 2hi6A12 GLY 75 HA2 0.01 0.08 0.31 -0.51 4.01 3.90 2hi6A12 GLY 75 HA3 0.01 0.10 0.55 -0.51 4.01 4.17 2hi6A12 VAL 76 H 0.02 0.35 -0.15 -0.55 8.24 7.90 2hi6A12 VAL 76 HA 0.01 0.17 0.65 -0.75 4.13 4.21 2hi6A12 VAL 76 HB 0.01 -0.17 -0.11 -0.04 2.12 1.81 2hi6A12 VAL 76 HG13 0.01 0.06 -0.36 -0.04 0.97 0.63 2hi6A12 VAL 76 HG23 0.01 -0.00 -0.18 -0.04 0.95 0.74 2hi6A12 ALA 77 H 0.02 0.12 -0.48 -0.55 8.40 7.52 2hi6A12 ALA 77 HA 0.03 0.02 0.51 -0.75 4.34 4.15 2hi6A12 ALA 77 HB3 0.03 -0.00 -0.14 -0.04 1.41 1.25 2hi6A12 PRO 78 HA 0.03 0.19 0.71 -0.51 4.44 4.87 2hi6A12 PRO 78 HB2 0.06 -0.00 0.13 -0.04 2.28 2.43 2hi6A12 PRO 78 HB3 0.05 -0.01 0.19 -0.04 2.02 2.21 2hi6A12 PRO 78 HG2 0.08 0.02 -0.08 -0.04 2.03 2.01 2hi6A12 PRO 78 HG3 0.09 -0.05 0.02 -0.04 2.03 2.05 2hi6A12 PRO 78 HD2 0.06 0.06 0.14 -0.04 3.68 3.90 2hi6A12 PRO 78 HD3 0.05 0.09 0.12 -0.04 3.65 3.87 2hi6A12 LYS 79 H 0.03 0.55 0.12 -0.55 8.42 8.57 2hi6A12 LYS 79 HA 0.02 0.16 0.41 -0.75 4.32 4.15 2hi6A12 LYS 79 HB2 0.02 -0.10 -0.35 -0.04 1.87 1.41 2hi6A12 LYS 79 HB3 0.02 -0.05 -0.22 -0.04 1.79 1.50 2hi6A12 LYS 79 HG2 0.02 -0.13 -0.19 -0.04 1.46 1.12 2hi6A12 LYS 79 HG3 0.02 0.08 -0.08 -0.04 1.46 1.43 2hi6A12 LYS 79 HD2 0.01 -0.05 0.03 -0.04 1.69 1.65 2hi6A12 LYS 79 HD3 0.01 0.06 -0.01 -0.04 1.68 1.70 2hi6A12 LYS 79 HE2 0.01 0.01 0.05 -0.04 2.99 3.01 2hi6A12 LYS 79 HE3 0.01 0.03 0.10 -0.04 2.99 3.10 2hi6A12 ALA 80 H 0.05 0.17 -0.02 -0.55 8.40 8.05 2hi6A12 ALA 80 HA 0.03 0.17 0.27 -0.75 4.34 4.07 2hi6A12 ALA 80 HB3 0.02 0.04 -0.16 -0.04 1.41 1.27 2hi6A12 ILE 81 H 0.04 0.47 -0.00 -0.55 8.25 8.20 2hi6A12 ILE 81 HA 0.12 0.39 0.92 -0.75 4.18 4.85 2hi6A12 ILE 81 HB 0.09 -0.02 0.01 -0.04 1.89 1.93 2hi6A12 ILE 81 HG12 0.19 0.05 -0.04 -0.04 1.49 1.65 2hi6A12 ILE 81 HG13 0.12 -0.04 -0.55 -0.04 1.21 0.69 2hi6A12 ILE 81 HG23 0.20 -0.01 -0.16 -0.04 0.93 0.92 2hi6A12 ILE 81 HD13 0.27 -0.01 -0.09 -0.04 0.88 1.01 2hi6A12 ILE 82 H 0.09 0.48 0.14 -0.55 8.25 8.41 2hi6A12 ILE 82 HA -0.03 0.09 1.04 -0.75 4.18 4.53 2hi6A12 ILE 82 HB 0.14 -0.02 0.01 -0.04 1.89 1.99 2hi6A12 ILE 82 HG12 0.07 -0.02 -0.31 -0.04 1.49 1.18 2hi6A12 ILE 82 HG13 0.07 -0.01 -0.21 -0.04 1.21 1.02 2hi6A12 ILE 82 HG23 -0.30 0.00 -0.17 -0.04 0.93 0.42 2hi6A12 ILE 82 HD13 -0.04 0.05 -0.31 -0.04 0.88 0.53 2hi6A12 ASN 83 H -0.03 0.43 0.23 -0.55 8.53 8.61 2hi6A12 ASN 83 HA -0.03 0.46 1.00 -0.75 4.76 5.44 2hi6A12 ASN 83 HB2 -0.07 -0.07 -0.13 -0.04 2.88 2.57 2hi6A12 ASN 83 HB3 -0.13 0.08 -0.12 -0.04 2.79 2.58 2hi6A12 ASN 83 HD21 -0.54 0.50 -0.03 -0.04 7.03 6.91 2hi6A12 ASN 83 HD22 -1.03 -0.09 -0.19 -0.04 7.74 6.39 2hi6A12 LYS 84 H 0.04 0.44 0.35 -0.55 8.42 8.70 2hi6A12 LYS 84 HA 0.18 0.39 0.85 -0.75 4.32 4.98 2hi6A12 LYS 84 HB2 0.01 -0.06 0.15 -0.04 1.87 1.93 2hi6A12 LYS 84 HB3 -0.03 0.01 0.22 -0.04 1.79 1.96 2hi6A12 LYS 84 HG2 0.20 0.25 0.20 -0.04 1.46 2.06 2hi6A12 LYS 84 HG3 -0.04 -0.07 0.03 -0.04 1.46 1.34 2hi6A12 LYS 84 HD2 -0.00 -0.03 -0.13 -0.04 1.69 1.48 2hi6A12 LYS 84 HD3 0.04 -0.04 -0.13 -0.04 1.68 1.51 2hi6A12 LYS 84 HE2 0.02 -0.06 0.01 -0.04 2.99 2.92 2hi6A12 LYS 84 HE3 0.06 0.04 0.15 -0.04 2.99 3.20 2hi6A12 LYS 85 H -0.02 0.63 0.22 -0.55 8.42 8.70 2hi6A12 LYS 85 HA -0.01 0.10 0.80 -0.75 4.32 4.46 2hi6A12 LYS 85 HB2 -0.01 0.01 -0.18 -0.04 1.87 1.64 2hi6A12 LYS 85 HB3 -0.01 -0.01 0.04 -0.04 1.79 1.77 2hi6A12 LYS 85 HG2 -0.01 0.05 0.04 -0.04 1.46 1.50 2hi6A12 LYS 85 HG3 -0.01 -0.02 -0.03 -0.04 1.46 1.35 2hi6A12 LYS 85 HD2 -0.01 -0.10 -0.23 -0.04 1.69 1.31 2hi6A12 LYS 85 HD3 -0.01 0.09 -0.06 -0.04 1.68 1.66 2hi6A12 LYS 85 HE2 -0.01 0.02 0.00 -0.04 2.99 2.96 2hi6A12 LYS 85 HE3 -0.01 -0.03 -0.03 -0.04 2.99 2.88 2hi6A12 THR 86 H -0.02 0.20 0.04 -0.55 8.28 7.94 2hi6A12 THR 86 HA -0.01 0.17 0.89 -0.75 4.39 4.69 2hi6A12 THR 86 HB -0.06 0.07 -0.19 -0.04 4.32 4.10 2hi6A12 THR 86 HG23 -0.06 0.02 -0.24 -0.04 1.22 0.91 2hi6A12 GLU 87 H -0.11 0.18 0.15 -0.55 8.60 8.27 2hi6A12 GLU 87 HA -0.04 0.31 0.96 -0.75 4.29 4.76 2hi6A12 GLU 87 HB2 -0.10 -0.03 0.13 -0.04 2.09 2.06 2hi6A12 GLU 87 HB3 -0.05 -0.05 0.12 -0.04 1.99 1.97 2hi6A12 GLU 87 HG2 -0.01 0.19 -0.02 -0.04 2.34 2.45 2hi6A12 GLU 87 HG3 -0.01 0.04 -0.19 -0.04 2.34 2.14 2hi6A12 THR 88 H -0.04 0.23 0.16 -0.55 8.28 8.08 2hi6A12 THR 88 HA -0.05 0.15 0.34 -0.75 4.39 4.08 2hi6A12 THR 88 HB -0.03 -0.01 0.06 -0.04 4.32 4.30 2hi6A12 THR 88 HG23 -0.03 0.04 -0.00 -0.04 1.22 1.18 2hi6A12 ILE 89 H -0.06 0.04 -0.15 -0.55 8.25 7.53 2hi6A12 ILE 89 HA -0.06 0.13 0.34 -0.75 4.18 3.83 2hi6A12 ILE 89 HB -0.06 -0.01 -0.10 -0.04 1.89 1.67 2hi6A12 ILE 89 HG12 -0.02 0.09 -0.03 -0.04 1.49 1.49 2hi6A12 ILE 89 HG13 -0.03 -0.12 0.03 -0.04 1.21 1.04 2hi6A12 ILE 89 HG23 -0.04 0.01 -0.18 -0.04 0.93 0.68 2hi6A12 ILE 89 HD13 -0.00 -0.02 -0.17 -0.04 0.88 0.65 2hi6A12 ILE 90 H -0.15 -0.02 -0.35 -0.55 8.25 7.18 2hi6A12 ILE 90 HA -0.24 0.38 0.55 -0.75 4.18 4.11 2hi6A12 ILE 90 HB -0.28 0.08 0.14 -0.04 1.89 1.80 2hi6A12 ILE 90 HG12 -0.58 0.23 0.13 -0.04 1.49 1.23 2hi6A12 ILE 90 HG13 -0.24 -0.20 0.08 -0.04 1.21 0.81 2hi6A12 ILE 90 HG23 -0.68 0.03 -0.02 -0.04 0.93 0.22 2hi6A12 ILE 90 HD13 -0.55 -0.11 0.07 -0.04 0.88 0.26 2hi6A12 ALA 91 H -0.12 0.29 -0.20 -0.55 8.40 7.82 2hi6A12 ALA 91 HA -0.08 0.06 0.39 -0.75 4.34 3.96 2hi6A12 ALA 91 HB3 -0.06 0.04 0.06 -0.04 1.41 1.41 2hi6A12 VAL 92 H -0.09 0.39 -0.24 -0.55 8.24 7.75 2hi6A12 VAL 92 HA -0.07 0.08 0.45 -0.75 4.13 3.83 2hi6A12 VAL 92 HB -0.11 0.12 0.16 -0.04 2.12 2.25 2hi6A12 VAL 92 HG13 -0.09 -0.01 -0.07 -0.04 0.97 0.76 2hi6A12 VAL 92 HG23 -0.05 0.08 0.02 -0.04 0.95 0.95 2hi6A12 GLY 93 H -0.14 0.49 -0.09 -0.55 8.43 8.15 2hi6A12 GLY 93 HA2 -0.23 0.01 0.39 -0.51 4.01 3.67 2hi6A12 GLY 93 HA3 -0.15 0.04 0.41 -0.51 4.01 3.80 2hi6A12 ALA 94 H -0.09 0.61 -0.10 -0.55 8.40 8.28 2hi6A12 ALA 94 HA -0.02 0.01 0.43 -0.75 4.34 4.01 2hi6A12 ALA 94 HB3 -0.03 0.12 0.11 -0.04 1.41 1.57 2hi6A12 ALA 95 H -0.06 0.43 -0.36 -0.55 8.40 7.86 2hi6A12 ALA 95 HA -0.03 0.00 0.39 -0.75 4.34 3.95 2hi6A12 ALA 95 HB3 -0.04 0.05 0.11 -0.04 1.41 1.48 2hi6A12 MET 96 H -0.06 0.26 -0.53 -0.55 8.47 7.59 2hi6A12 MET 96 HA -0.02 0.09 0.59 -0.75 4.52 4.42 2hi6A12 MET 96 HB2 -0.07 0.12 0.15 -0.04 2.15 2.31 2hi6A12 MET 96 HB3 -0.03 -0.05 0.05 -0.04 2.03 1.97 2hi6A12 MET 96 HG2 -0.07 -0.04 0.00 -0.04 2.63 2.48 2hi6A12 MET 96 HG3 -0.12 0.33 0.14 -0.04 2.56 2.86 2hi6A12 MET 96 HE3 -0.40 -0.02 -0.18 -0.04 2.10 1.46 2hi6A12 ALA 97 H -0.03 0.31 -0.10 -0.55 8.40 8.04 2hi6A12 ALA 97 HA 0.01 0.10 0.35 -0.75 4.34 4.05 2hi6A12 ALA 97 HB3 0.01 -0.04 -0.13 -0.04 1.41 1.21 2hi6A12 GLU 98 H -0.01 0.11 -0.76 -0.55 8.60 7.39 2hi6A12 GLU 98 HA -0.01 -0.01 0.20 -0.75 4.29 3.71 2hi6A12 GLU 98 HB2 0.00 0.23 0.09 -0.04 2.09 2.38 2hi6A12 GLU 98 HB3 -0.00 -0.08 0.20 -0.04 1.99 2.06 2hi6A12 GLU 98 HG2 -0.00 -0.02 -0.03 -0.04 2.34 2.24 2hi6A12 GLU 98 HG3 0.00 0.10 -0.32 -0.04 2.34 2.08 2hi6A12 ILE 99 H -0.00 0.52 -0.16 -0.55 8.25 8.06 2hi6A12 ILE 99 HA 0.01 0.33 0.76 -0.75 4.18 4.52 2hi6A12 ILE 99 HB 0.02 -0.17 0.06 -0.04 1.89 1.77 2hi6A12 ILE 99 HG12 0.03 0.24 -0.25 -0.04 1.49 1.47 2hi6A12 ILE 99 HG13 0.02 0.03 -0.47 -0.04 1.21 0.75 2hi6A12 ILE 99 HG23 0.04 -0.01 -0.31 -0.04 0.93 0.62 2hi6A12 ILE 99 HD13 0.05 -0.05 -0.10 -0.04 0.88 0.73 2hi6A12 PRO 100 HA -0.02 -0.07 0.20 -0.51 4.44 4.03 2hi6A12 PRO 100 HB2 -0.04 -0.09 -0.29 -0.04 2.28 1.82 2hi6A12 PRO 100 HB3 -0.03 0.14 -0.49 -0.04 2.02 1.60 2hi6A12 PRO 100 HG2 -0.02 -0.05 -0.08 -0.04 2.03 1.85 2hi6A12 PRO 100 HG3 -0.02 -0.08 -0.38 -0.04 2.03 1.50 2hi6A12 PRO 100 HD2 -0.00 0.25 0.21 -0.04 3.68 4.10 2hi6A12 PRO 100 HD3 -0.01 0.24 -0.16 -0.04 3.65 3.68 2hi6A12 LEU 101 H -0.03 0.07 0.21 -0.55 8.37 8.08 2hi6A12 LEU 101 HA -0.02 0.35 0.99 -0.75 4.35 4.92 2hi6A12 LEU 101 HB2 -0.03 -0.05 0.05 -0.04 1.64 1.57 2hi6A12 LEU 101 HB3 0.00 0.08 0.00 -0.04 1.64 1.69 2hi6A12 LEU 101 HG -0.03 0.08 0.11 -0.04 1.64 1.76 2hi6A12 LEU 101 HD13 -0.05 -0.06 -0.03 -0.04 0.93 0.75 2hi6A12 LEU 101 HD23 -0.05 -0.02 -0.12 -0.04 0.89 0.66 2hi6A12 VAL 102 H -0.05 0.30 0.26 -0.55 8.24 8.21 2hi6A12 VAL 102 HA -0.05 0.21 0.90 -0.75 4.13 4.44 2hi6A12 VAL 102 HB -0.08 0.01 -0.37 -0.04 2.12 1.64 2hi6A12 VAL 102 HG13 -0.06 -0.02 -0.38 -0.04 0.97 0.46 2hi6A12 VAL 102 HG23 -0.14 -0.01 -0.26 -0.04 0.95 0.51 2hi6A12 GLU 103 H -0.05 0.74 0.25 -0.55 8.60 9.00 2hi6A12 GLU 103 HA -0.03 0.32 0.89 -0.75 4.29 4.72 2hi6A12 GLU 103 HB2 -0.02 -0.05 0.22 -0.04 2.09 2.19 2hi6A12 GLU 103 HB3 -0.01 0.11 -0.00 -0.04 1.99 2.05 2hi6A12 GLU 103 HG2 -0.03 -0.05 -0.15 -0.04 2.34 2.07 2hi6A12 GLU 103 HG3 -0.03 0.02 -0.07 -0.04 2.34 2.22 2hi6A12 VAL 104 H -0.01 0.88 0.32 -0.55 8.24 8.87 2hi6A12 VAL 104 HA -0.08 0.09 1.00 -0.75 4.13 4.39 2hi6A12 VAL 104 HB -0.42 -0.02 -0.18 -0.04 2.12 1.46 2hi6A12 VAL 104 HG13 -0.17 0.06 -0.20 -0.04 0.97 0.62 2hi6A12 VAL 104 HG23 -0.31 -0.01 -0.17 -0.04 0.95 0.42 2hi6A12 ARG 105 H 0.02 0.16 0.16 -0.55 8.46 8.24 2hi6A12 ARG 105 HA 0.09 0.22 0.70 -0.75 4.34 4.60 2hi6A12 ARG 105 HB2 0.03 0.05 0.06 -0.04 1.90 2.00 2hi6A12 ARG 105 HB3 0.04 -0.02 0.09 -0.04 1.80 1.87 2hi6A12 ARG 105 HG2 0.05 -0.05 -0.03 -0.04 1.67 1.60 2hi6A12 ARG 105 HG3 0.03 0.04 0.07 -0.04 1.67 1.78 2hi6A12 ARG 105 HD2 0.02 -0.01 -0.00 -0.04 3.22 3.19 2hi6A12 ARG 105 HD3 0.02 -0.01 0.01 -0.04 3.22 3.20 2hi6A12 ASP 106 H 0.06 0.03 0.03 -0.55 8.40 7.98 2hi6A12 ASP 106 HA 0.09 0.08 0.46 -0.75 4.63 4.51 2hi6A12 ASP 106 HB2 0.08 0.09 0.14 -0.04 2.71 2.98 2hi6A12 ASP 106 HB3 0.07 -0.01 0.12 -0.04 2.70 2.84 2hi6A12 GLU 107 H 0.12 0.24 0.25 -0.55 8.60 8.66 2hi6A12 GLU 107 HA 0.46 0.14 0.39 -0.75 4.29 4.53 2hi6A12 GLU 107 HB2 0.09 0.10 0.14 -0.04 2.09 2.38 2hi6A12 GLU 107 HB3 0.09 0.00 0.05 -0.04 1.99 2.10 2hi6A12 GLU 107 HG2 0.11 -0.04 -0.03 -0.04 2.34 2.34 2hi6A12 GLU 107 HG3 0.06 0.03 0.05 -0.04 2.34 2.44 2hi6A12 LYS 108 H 0.11 0.06 -0.30 -0.55 8.42 7.74 2hi6A12 LYS 108 HA 0.07 0.12 0.33 -0.75 4.32 4.08 2hi6A12 LYS 108 HB2 0.14 -0.05 0.01 -0.04 1.87 1.92 2hi6A12 LYS 108 HB3 0.19 0.07 -0.06 -0.04 1.79 1.95 2hi6A12 LYS 108 HG2 0.08 0.06 0.01 -0.04 1.46 1.56 2hi6A12 LYS 108 HG3 0.08 -0.03 0.00 -0.04 1.46 1.47 2hi6A12 LYS 108 HD2 0.10 -0.01 -0.01 -0.04 1.69 1.72 2hi6A12 LYS 108 HD3 0.13 0.03 -0.03 -0.04 1.68 1.77 2hi6A12 LYS 108 HE2 0.06 -0.01 -0.01 -0.04 2.99 2.99 2hi6A12 LYS 108 HE3 0.06 0.02 -0.02 -0.04 2.99 3.01 2hi6A12 PHE 109 H -0.01 0.28 -0.61 -0.55 8.34 7.44 2hi6A12 PHE 109 HA -1.25 0.09 0.50 -0.75 4.62 3.20 2hi6A12 PHE 109 HB2 -0.80 -0.06 -0.00 -0.04 3.15 2.25 2hi6A12 PHE 109 HB3 -0.71 0.16 0.02 -0.04 3.06 2.49 2hi6A12 PHE 109 HD2 -1.57 0.02 -0.14 -0.04 7.28 5.55 2hi6A12 PHE 109 HE2 -0.28 0.02 -0.19 -0.04 7.38 6.89 2hi6A12 PHE 109 HZ -0.17 -0.01 -0.19 -0.04 7.32 6.92 2hi6A12 PHE 110 H -0.08 0.18 -0.16 -0.55 8.34 7.73 2hi6A12 PHE 110 HA -0.41 0.07 0.28 -0.75 4.62 3.81 2hi6A12 PHE 110 HB2 -0.04 0.07 0.02 -0.04 3.15 3.16 2hi6A12 PHE 110 HB3 -0.07 0.02 -0.02 -0.04 3.06 2.95 2hi6A12 PHE 110 HD2 0.01 -0.00 -0.07 -0.04 7.28 7.18 2hi6A12 PHE 110 HE2 0.09 0.08 -0.30 -0.04 7.38 7.21 2hi6A12 PHE 110 HZ 0.06 0.01 -0.28 -0.04 7.32 7.07 2hi6A12 GLU 111 H 0.03 0.31 -0.33 -0.55 8.60 8.06 2hi6A12 GLU 111 HA 0.02 0.06 0.45 -0.75 4.29 4.07 2hi6A12 GLU 111 HB2 0.05 -0.02 -0.04 -0.04 2.09 2.04 2hi6A12 GLU 111 HB3 0.03 0.00 0.06 -0.04 1.99 2.04 2hi6A12 GLU 111 HG2 0.03 0.05 -0.18 -0.04 2.34 2.20 2hi6A12 GLU 111 HG3 0.02 -0.00 0.00 -0.04 2.34 2.33 2hi6A12 ALA 112 H -0.13 0.25 -0.41 -0.55 8.40 7.57 2hi6A12 ALA 112 HA 0.01 0.04 0.51 -0.75 4.34 4.15 2hi6A12 ALA 112 HB3 0.08 -0.03 0.09 -0.04 1.41 1.50 2hi6A12 VAL 113 H -0.40 0.64 0.06 -0.55 8.24 7.99 2hi6A12 VAL 113 HA -0.13 -0.03 0.31 -0.75 4.13 3.53 2hi6A12 VAL 113 HB -0.62 -0.05 -0.01 -0.04 2.12 1.40 2hi6A12 VAL 113 HG13 -0.81 0.06 -0.17 -0.04 0.97 0.00 2hi6A12 VAL 113 HG23 -0.16 -0.01 -0.19 -0.04 0.95 0.54 2hi6A12 LYS 114 H -0.07 0.12 0.11 -0.55 8.42 8.03 2hi6A12 LYS 114 HA -0.05 0.19 0.77 -0.75 4.32 4.47 2hi6A12 LYS 114 HB2 -0.02 -0.04 -0.08 -0.04 1.87 1.69 2hi6A12 LYS 114 HB3 -0.02 -0.01 -0.00 -0.04 1.79 1.72 2hi6A12 LYS 114 HG2 -0.03 0.04 -0.14 -0.04 1.46 1.29 2hi6A12 LYS 114 HG3 -0.04 0.20 -0.63 -0.04 1.46 0.95 2hi6A12 LYS 114 HD2 -0.01 -0.06 -0.07 -0.04 1.69 1.51 2hi6A12 LYS 114 HD3 -0.01 -0.06 -0.05 -0.04 1.68 1.52 2hi6A12 LYS 114 HE2 -0.00 -0.11 -0.02 -0.04 2.99 2.82 2hi6A12 LYS 114 HE3 -0.01 0.01 -0.04 -0.04 2.99 2.92 2hi6A12 THR 115 H -0.02 0.16 0.11 -0.55 8.28 7.98 2hi6A12 THR 115 HA -0.01 0.25 0.59 -0.75 4.39 4.47 2hi6A12 THR 115 HB -0.01 0.04 0.22 -0.04 4.32 4.53 2hi6A12 THR 115 HG23 -0.00 -0.01 0.06 -0.04 1.22 1.22 2hi6A12 GLY 116 H -0.00 0.59 0.51 -0.55 8.43 8.98 2hi6A12 GLY 116 HA2 0.00 -0.04 0.38 -0.51 4.01 3.83 2hi6A12 GLY 116 HA3 -0.00 0.17 0.92 -0.51 4.01 4.59 2hi6A12 ASP 117 H -0.00 0.17 0.38 -0.55 8.40 8.39 2hi6A12 ASP 117 HA 0.01 0.20 0.69 -0.75 4.63 4.77 2hi6A12 ASP 117 HB2 -0.01 0.07 -0.07 -0.04 2.71 2.67 2hi6A12 ASP 117 HB3 -0.00 -0.05 0.02 -0.04 2.70 2.63 2hi6A12 ARG 118 H 0.02 0.30 0.23 -0.55 8.46 8.46 2hi6A12 ARG 118 HA 0.02 0.18 0.78 -0.75 4.34 4.57 2hi6A12 ARG 118 HB2 0.02 -0.00 0.08 -0.04 1.90 1.95 2hi6A12 ARG 118 HB3 0.03 0.10 0.28 -0.04 1.80 2.16 2hi6A12 ARG 118 HG2 0.03 0.02 -0.29 -0.04 1.67 1.39 2hi6A12 ARG 118 HG3 0.02 0.01 -0.06 -0.04 1.67 1.61 2hi6A12 ARG 118 HD2 0.03 -0.06 -0.05 -0.04 3.22 3.09 2hi6A12 ARG 118 HD3 0.02 0.00 -0.08 -0.04 3.22 3.12 2hi6A12 VAL 119 H 0.03 0.46 0.34 -0.55 8.24 8.53 2hi6A12 VAL 119 HA 0.08 0.23 1.04 -0.75 4.13 4.72 2hi6A12 VAL 119 HB 0.06 0.00 0.05 -0.04 2.12 2.19 2hi6A12 VAL 119 HG13 0.13 -0.02 -0.30 -0.04 0.97 0.74 2hi6A12 VAL 119 HG23 0.05 0.00 -0.22 -0.04 0.95 0.74 2hi6A12 VAL 120 H 0.06 0.85 0.28 -0.55 8.24 8.88 2hi6A12 VAL 120 HA 0.01 0.29 1.14 -0.75 4.13 4.82 2hi6A12 VAL 120 HB 0.03 -0.05 0.22 -0.04 2.12 2.28 2hi6A12 VAL 120 HG13 -0.01 -0.00 -0.15 -0.04 0.97 0.77 2hi6A12 VAL 120 HG23 0.03 -0.00 -0.09 -0.04 0.95 0.84 2hi6A12 VAL 121 H -0.02 0.56 0.22 -0.55 8.24 8.45 2hi6A12 VAL 121 HA -0.12 0.10 0.87 -0.75 4.13 4.22 2hi6A12 VAL 121 HB -0.03 -0.03 -0.09 -0.04 2.12 1.93 2hi6A12 VAL 121 HG13 -0.03 0.03 0.02 -0.04 0.97 0.95 2hi6A12 VAL 121 HG23 -0.09 0.00 -0.25 -0.04 0.95 0.57 2hi6A12 ASN 122 H -0.39 0.68 0.30 -0.55 8.53 8.57 2hi6A12 ASN 122 HA -0.18 0.19 1.03 -0.75 4.76 5.06 2hi6A12 ASN 122 HB2 -0.42 0.07 -0.09 -0.04 2.88 2.40 2hi6A12 ASN 122 HB3 -1.09 -0.03 0.20 -0.04 2.79 1.83 2hi6A12 ASN 122 HD21 -0.05 -0.19 -0.04 -0.04 7.03 6.70 2hi6A12 ASN 122 HD22 0.02 0.08 -0.07 -0.04 7.74 7.73 2hi6A12 ALA 123 H -0.10 0.83 0.22 -0.55 8.40 8.80 2hi6A12 ALA 123 HA -0.09 -0.00 0.39 -0.75 4.34 3.89 2hi6A12 ALA 123 HB3 -0.05 0.07 -0.08 -0.04 1.41 1.31 2hi6A12 ASP 124 H -0.06 0.17 -0.13 -0.55 8.40 7.83 2hi6A12 ASP 124 HA -0.01 0.10 0.48 -0.75 4.63 4.44 2hi6A12 ASP 124 HB2 0.00 -0.00 -0.01 -0.04 2.71 2.66 2hi6A12 ASP 124 HB3 0.01 0.08 0.03 -0.04 2.70 2.77 2hi6A12 GLU 125 H 0.00 0.02 -0.33 -0.55 8.60 7.74 2hi6A12 GLU 125 HA 0.07 0.21 0.83 -0.75 4.29 4.65 2hi6A12 GLU 125 HB2 0.17 -0.05 -0.06 -0.04 2.09 2.10 2hi6A12 GLU 125 HB3 0.46 0.01 -0.05 -0.04 1.99 2.37 2hi6A12 GLU 125 HG2 0.13 0.05 -0.10 -0.04 2.34 2.38 2hi6A12 GLU 125 HG3 0.07 0.02 0.04 -0.04 2.34 2.43 2hi6A12 GLY 126 H -0.01 0.18 0.10 -0.55 8.43 8.15 2hi6A12 GLY 126 HA2 -0.02 -0.07 0.33 -0.51 4.01 3.74 2hi6A12 GLY 126 HA3 0.04 0.18 0.69 -0.51 4.01 4.41 2hi6A12 TYR 127 H -0.18 0.33 0.18 -0.55 8.29 8.08 2hi6A12 TYR 127 HA -0.04 0.10 0.57 -0.75 4.56 4.45 2hi6A12 TYR 127 HB2 -0.01 0.01 -0.03 -0.04 3.06 2.99 2hi6A12 TYR 127 HB3 -0.02 0.20 -0.21 -0.04 2.98 2.91 2hi6A12 TYR 127 HD2 -0.01 0.02 -0.45 -0.04 7.15 6.67 2hi6A12 TYR 127 HE2 -0.01 -0.01 -0.12 -0.04 6.85 6.67 2hi6A12 VAL 128 H 0.16 0.51 0.26 -0.55 8.24 8.62 2hi6A12 VAL 128 HA -0.05 0.20 1.03 -0.75 4.13 4.55 2hi6A12 VAL 128 HB 0.14 0.04 -0.15 -0.04 2.12 2.11 2hi6A12 VAL 128 HG13 -0.13 -0.02 -0.26 -0.04 0.97 0.52 2hi6A12 VAL 128 HG23 -0.04 0.00 0.01 -0.04 0.95 0.88 2hi6A12 GLU 129 H 0.06 0.80 0.26 -0.55 8.60 9.19 2hi6A12 GLU 129 HA 0.15 0.20 0.94 -0.75 4.29 4.82 2hi6A12 GLU 129 HB2 0.22 -0.03 -0.01 -0.04 2.09 2.23 2hi6A12 GLU 129 HB3 0.09 0.01 0.20 -0.04 1.99 2.25 2hi6A12 GLU 129 HG2 0.08 -0.03 -0.09 -0.04 2.34 2.26 2hi6A12 GLU 129 HG3 0.07 0.05 -0.37 -0.04 2.34 2.05 2hi6A12 LEU 130 H 0.13 0.41 0.20 -0.55 8.37 8.57 2hi6A12 LEU 130 HA 0.11 0.22 1.00 -0.75 4.35 4.92 2hi6A12 LEU 130 HB2 0.26 -0.05 0.01 -0.04 1.64 1.82 2hi6A12 LEU 130 HB3 0.16 0.04 0.14 -0.04 1.64 1.94 2hi6A12 LEU 130 HG 0.07 -0.01 -0.34 -0.04 1.64 1.31 2hi6A12 LEU 130 HD13 0.04 0.06 -0.10 -0.04 0.93 0.89 2hi6A12 LEU 130 HD23 0.09 -0.00 -0.16 -0.04 0.89 0.78 2hi6A12 ILE 131 H 0.05 0.65 0.26 -0.55 8.25 8.66 2hi6A12 ILE 131 HA 0.03 0.15 0.97 -0.75 4.18 4.58 2hi6A12 ILE 131 HB 0.03 -0.04 0.17 -0.04 1.89 2.01 2hi6A12 ILE 131 HG12 0.04 0.02 -0.21 -0.04 1.49 1.31 2hi6A12 ILE 131 HG13 0.03 -0.01 -0.07 -0.04 1.21 1.12 2hi6A12 ILE 131 HG23 0.02 0.00 -0.09 -0.04 0.93 0.82 2hi6A12 ILE 131 HD13 0.03 0.04 -0.19 -0.04 0.88 0.73 2hi6A12 GLU 132 H 0.02 0.22 0.02 -0.55 8.60 8.32 2hi6A12 GLU 132 HA 0.02 0.14 0.26 -0.75 4.29 3.96 2hi6A12 GLU 132 HB2 0.02 0.00 0.08 -0.04 2.09 2.15 2hi6A12 GLU 132 HB3 0.02 0.04 0.05 -0.04 1.99 2.06 2hi6A12 GLU 132 HG2 0.03 0.03 -0.12 -0.04 2.34 2.23 2hi6A12 GLU 132 HG3 0.03 0.04 -0.05 -0.04 2.34 2.32