============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 2 rings ring int. center anis. iso. PHE 29 1.000 13.750 17.911 19.598 -99.200 -91.000 TYR 88 0.840 19.064 29.039 26.206 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2qg1A1 ASP 1722 HA 0.01 -0.06 0.26 -0.75 4.63 4.09 2qg1A1 ASP 1722 HB2 0.01 0.01 0.07 -0.04 2.71 2.76 2qg1A1 ASP 1722 HB3 0.02 -0.09 0.14 -0.04 2.70 2.72 2qg1A1 THR 1723 H 0.01 0.21 0.19 -0.55 8.28 8.14 2qg1A1 THR 1723 HA 0.01 0.34 0.90 -0.75 4.39 4.88 2qg1A1 THR 1723 HB 0.00 -0.03 0.04 -0.04 4.32 4.29 2qg1A1 THR 1723 HG23 -0.00 -0.01 -0.11 -0.04 1.22 1.07 2qg1A1 LEU 1724 H 0.00 0.51 0.39 -0.55 8.37 8.72 2qg1A1 LEU 1724 HA 0.00 0.17 0.95 -0.75 4.35 4.72 2qg1A1 LEU 1724 HB2 0.00 -0.08 -0.07 -0.04 1.64 1.45 2qg1A1 LEU 1724 HB3 0.00 0.10 -0.02 -0.04 1.64 1.68 2qg1A1 LEU 1724 HG 0.01 -0.06 -0.41 -0.04 1.64 1.14 2qg1A1 LEU 1724 HD13 0.01 -0.00 -0.12 -0.04 0.93 0.77 2qg1A1 LEU 1724 HD23 0.00 0.07 -0.05 -0.04 0.89 0.87 2qg1A1 THR 1725 H -0.00 0.20 0.19 -0.55 8.28 8.12 2qg1A1 THR 1725 HA -0.00 0.24 1.13 -0.75 4.39 5.00 2qg1A1 THR 1725 HB -0.00 -0.03 0.05 -0.04 4.32 4.30 2qg1A1 THR 1725 HG23 -0.00 0.01 0.04 -0.04 1.22 1.22 2qg1A1 ILE 1726 H -0.00 0.71 0.35 -0.55 8.25 8.75 2qg1A1 ILE 1726 HA -0.00 0.20 0.87 -0.75 4.18 4.50 2qg1A1 ILE 1726 HB -0.00 -0.06 0.02 -0.04 1.89 1.81 2qg1A1 ILE 1726 HG12 0.00 0.13 -0.17 -0.04 1.49 1.41 2qg1A1 ILE 1726 HG13 -0.00 -0.07 -0.68 -0.04 1.21 0.42 2qg1A1 ILE 1726 HG23 -0.00 -0.01 -0.21 -0.04 0.93 0.68 2qg1A1 ILE 1726 HD13 0.00 -0.02 -0.27 -0.04 0.88 0.56 2qg1A1 GLY 1727 H -0.00 0.26 0.11 -0.55 8.43 8.25 2qg1A1 GLY 1727 HA2 -0.00 0.26 0.96 -0.51 4.01 4.72 2qg1A1 GLY 1727 HA3 -0.00 0.00 0.26 -0.51 4.01 3.77 2qg1A1 LEU 1728 H -0.00 0.67 0.30 -0.55 8.37 8.79 2qg1A1 LEU 1728 HA -0.00 0.18 0.88 -0.75 4.35 4.66 2qg1A1 LEU 1728 HB2 -0.00 -0.01 0.08 -0.04 1.64 1.67 2qg1A1 LEU 1728 HB3 -0.00 0.03 -0.09 -0.04 1.64 1.53 2qg1A1 LEU 1728 HG -0.00 -0.02 -0.21 -0.04 1.64 1.37 2qg1A1 LEU 1728 HD13 0.00 -0.01 -0.09 -0.04 0.93 0.78 2qg1A1 LEU 1728 HD23 0.00 0.05 -0.18 -0.04 0.89 0.72 2qg1A1 GLN 1729 H -0.00 0.21 0.08 -0.55 8.47 8.21 2qg1A1 GLN 1729 HA -0.00 0.09 0.60 -0.75 4.36 4.29 2qg1A1 GLN 1729 HB2 -0.00 -0.01 0.14 -0.04 2.15 2.24 2qg1A1 GLN 1729 HB3 -0.00 0.06 -0.06 -0.04 2.02 1.98 2qg1A1 GLN 1729 HG2 -0.00 0.01 -0.05 -0.04 2.40 2.32 2qg1A1 GLN 1729 HG3 -0.00 0.03 -0.03 -0.04 2.39 2.35 2qg1A1 LYS 1730 H -0.00 0.65 0.21 -0.55 8.42 8.72 2qg1A1 LYS 1730 HA -0.00 0.00 0.54 -0.75 4.32 4.11 2qg1A1 LYS 1730 HB2 -0.00 -0.00 0.02 -0.04 1.87 1.85 2qg1A1 LYS 1730 HB3 -0.00 -0.06 0.06 -0.04 1.79 1.75 2qg1A1 LYS 1730 HG2 -0.00 -0.02 -0.18 -0.04 1.46 1.22 2qg1A1 LYS 1730 HG3 -0.00 -0.05 -0.03 -0.04 1.46 1.34 2qg1A1 LYS 1730 HD2 -0.00 -0.16 -0.04 -0.04 1.69 1.44 2qg1A1 LYS 1730 HD3 -0.00 0.24 -0.09 -0.04 1.68 1.79 2qg1A1 LYS 1730 HE2 -0.00 -0.01 0.03 -0.04 2.99 2.98 2qg1A1 LYS 1730 HE3 -0.00 -0.28 0.04 -0.04 2.99 2.70 2qg1A1 LYS 1731 H 0.00 0.19 0.11 -0.55 8.42 8.17 2qg1A1 LYS 1731 HA -0.00 0.00 0.77 -0.75 4.32 4.34 2qg1A1 LYS 1731 HB2 0.00 -0.05 0.04 -0.04 1.87 1.82 2qg1A1 LYS 1731 HB3 0.00 0.00 0.01 -0.04 1.79 1.75 2qg1A1 LYS 1731 HG2 0.00 0.10 -0.15 -0.04 1.46 1.37 2qg1A1 LYS 1731 HG3 0.00 0.00 -0.03 -0.04 1.46 1.39 2qg1A1 LYS 1731 HD2 0.00 0.00 -0.02 -0.04 1.69 1.63 2qg1A1 LYS 1731 HD3 -0.00 0.06 -0.23 -0.04 1.68 1.47 2qg1A1 LYS 1731 HE2 -0.00 -0.01 -0.09 -0.04 2.99 2.85 2qg1A1 LYS 1731 HE3 0.00 -0.01 -0.04 -0.04 2.99 2.90 2qg1A1 PRO 1732 HA 0.00 0.07 0.54 -0.51 4.44 4.54 2qg1A1 PRO 1732 HB2 0.00 0.03 0.05 -0.04 2.28 2.32 2qg1A1 PRO 1732 HB3 -0.00 0.04 0.12 -0.04 2.02 2.14 2qg1A1 PRO 1732 HG2 -0.00 0.05 0.10 -0.04 2.03 2.14 2qg1A1 PRO 1732 HG3 -0.00 0.06 0.10 -0.04 2.03 2.14 2qg1A1 PRO 1732 HD2 -0.00 0.11 0.22 -0.04 3.68 3.97 2qg1A1 PRO 1732 HD3 -0.00 0.18 0.24 -0.04 3.65 4.03 2qg1A1 GLY 1733 H 0.00 0.15 0.20 -0.55 8.43 8.23 2qg1A1 GLY 1733 HA2 0.00 -0.01 0.36 -0.51 4.01 3.85 2qg1A1 GLY 1733 HA3 0.00 0.09 0.43 -0.51 4.01 4.02 2qg1A1 LYS 1734 H 0.00 0.43 -0.19 -0.55 8.42 8.11 2qg1A1 LYS 1734 HA 0.00 0.09 0.83 -0.75 4.32 4.49 2qg1A1 GLY 1735 H 0.00 0.07 0.16 -0.55 8.43 8.12 2qg1A1 GLY 1735 HA2 0.00 0.26 0.73 -0.51 4.01 4.50 2qg1A1 GLY 1735 HA3 0.00 -0.05 0.39 -0.51 4.01 3.84 2qg1A1 LEU 1736 H 0.00 0.22 0.15 -0.55 8.37 8.19 2qg1A1 LEU 1736 HA 0.00 0.19 0.65 -0.75 4.35 4.44 2qg1A1 LEU 1736 HB2 0.00 -0.03 0.01 -0.04 1.64 1.58 2qg1A1 LEU 1736 HB3 0.00 -0.02 0.03 -0.04 1.64 1.60 2qg1A1 LEU 1736 HG -0.00 0.06 0.03 -0.04 1.64 1.68 2qg1A1 LEU 1736 HD13 -0.00 0.02 -0.04 -0.04 0.93 0.86 2qg1A1 LEU 1736 HD23 -0.00 0.02 -0.10 -0.04 0.89 0.77 2qg1A1 GLY 1737 H 0.00 0.08 -0.19 -0.55 8.43 7.78 2qg1A1 GLY 1737 HA2 0.00 0.08 0.27 -0.51 4.01 3.86 2qg1A1 GLY 1737 HA3 0.00 -0.03 0.48 -0.51 4.01 3.95 2qg1A1 LEU 1738 H 0.01 0.23 0.09 -0.55 8.37 8.15 2qg1A1 LEU 1738 HA 0.01 0.18 0.72 -0.75 4.35 4.51 2qg1A1 LEU 1738 HB2 0.01 0.10 0.13 -0.04 1.64 1.84 2qg1A1 LEU 1738 HB3 0.01 0.03 -0.14 -0.04 1.64 1.49 2qg1A1 LEU 1738 HG 0.01 -0.11 -0.12 -0.04 1.64 1.38 2qg1A1 LEU 1738 HD13 0.01 -0.00 -0.30 -0.04 0.93 0.60 2qg1A1 LEU 1738 HD23 0.00 0.02 -0.21 -0.04 0.89 0.66 2qg1A1 SER 1739 H 0.02 0.47 0.35 -0.55 8.46 8.76 2qg1A1 SER 1739 HA 0.01 0.24 0.84 -0.75 4.49 4.83 2qg1A1 SER 1739 HB2 0.02 0.10 0.11 -0.04 3.95 4.13 2qg1A1 SER 1739 HB3 0.01 0.05 0.04 -0.04 3.93 4.00 2qg1A1 ILE 1740 H 0.02 0.28 0.21 -0.55 8.25 8.21 2qg1A1 ILE 1740 HA 0.05 0.32 1.08 -0.75 4.18 4.87 2qg1A1 ILE 1740 HB 0.02 0.01 -0.05 -0.04 1.89 1.84 2qg1A1 ILE 1740 HG12 0.01 -0.04 0.01 -0.04 1.49 1.43 2qg1A1 ILE 1740 HG13 0.02 0.00 -0.16 -0.04 1.21 1.03 2qg1A1 ILE 1740 HG23 0.01 -0.01 -0.36 -0.04 0.93 0.53 2qg1A1 ILE 1740 HD13 -0.00 0.01 -0.17 -0.04 0.88 0.68 2qg1A1 VAL 1741 H 0.10 0.55 0.39 -0.55 8.24 8.73 2qg1A1 VAL 1741 HA 0.05 0.03 0.80 -0.75 4.13 4.26 2qg1A1 VAL 1741 HB 0.05 -0.07 -0.26 -0.04 2.12 1.80 2qg1A1 VAL 1741 HG13 0.08 0.06 -0.13 -0.04 0.97 0.93 2qg1A1 VAL 1741 HG23 0.03 0.04 0.10 -0.04 0.95 1.08 2qg1A1 GLY 1742 H 0.07 0.04 0.20 -0.55 8.43 8.19 2qg1A1 GLY 1742 HA2 0.20 0.37 0.88 -0.51 4.01 4.96 2qg1A1 GLY 1742 HA3 0.09 -0.02 0.45 -0.51 4.01 4.02 2qg1A1 LYS 1743 H 0.14 0.41 0.22 -0.55 8.42 8.64 2qg1A1 LYS 1743 HA -0.02 0.13 0.76 -0.75 4.32 4.43 2qg1A1 LYS 1743 HB2 -0.00 0.26 0.08 -0.04 1.87 2.16 2qg1A1 LYS 1743 HB3 -0.09 -0.19 0.06 -0.04 1.79 1.52 2qg1A1 LYS 1743 HG2 -0.25 0.01 -0.03 -0.04 1.46 1.15 2qg1A1 LYS 1743 HG3 -0.39 0.02 -0.35 -0.04 1.46 0.70 2qg1A1 LYS 1743 HD2 -0.74 0.06 -0.12 -0.04 1.69 0.85 2qg1A1 LYS 1743 HD3 -0.33 -0.06 -0.06 -0.04 1.68 1.20 2qg1A1 LYS 1743 HE2 -0.52 -0.02 -0.07 -0.04 2.99 2.34 2qg1A1 LYS 1743 HE3 -1.94 0.01 -0.13 -0.04 2.99 0.89 2qg1A1 ARG 1744 H -0.02 0.15 0.13 -0.55 8.46 8.17 2qg1A1 ARG 1744 HA 0.01 0.12 0.51 -0.75 4.34 4.23 2qg1A1 ARG 1744 HB2 -0.00 -0.00 0.10 -0.04 1.90 1.96 2qg1A1 ARG 1744 HB3 -0.01 -0.01 0.10 -0.04 1.80 1.83 2qg1A1 ARG 1744 HG2 -0.00 0.00 -0.01 -0.04 1.67 1.62 2qg1A1 ARG 1744 HG3 -0.00 0.03 -0.15 -0.04 1.67 1.51 2qg1A1 ARG 1744 HD2 0.00 -0.02 0.03 -0.04 3.22 3.19 2qg1A1 ARG 1744 HD3 0.00 0.01 0.02 -0.04 3.22 3.21 2qg1A1 ASN 1745 H -0.02 0.01 -0.09 -0.55 8.53 7.89 2qg1A1 ASN 1745 HA 0.00 0.25 0.84 -0.75 4.76 5.10 2qg1A1 ASN 1745 HB2 -0.02 -0.01 0.03 -0.04 2.88 2.84 2qg1A1 ASN 1745 HB3 -0.01 0.03 0.15 -0.04 2.79 2.92 2qg1A1 ASN 1745 HD21 -0.00 -0.01 -0.09 -0.04 7.03 6.89 2qg1A1 ASN 1745 HD22 -0.00 0.07 -0.02 -0.04 7.74 7.75 2qg1A1 ASP 1746 H 0.02 0.20 -0.20 -0.55 8.40 7.88 2qg1A1 ASP 1746 HA 0.05 0.11 0.63 -0.75 4.63 4.67 2qg1A1 ASP 1746 HB2 0.01 -0.08 -0.04 -0.04 2.71 2.56 2qg1A1 ASP 1746 HB3 0.14 0.12 0.02 -0.04 2.70 2.95 2qg1A1 THR 1747 H 0.07 0.08 0.12 -0.55 8.28 8.00 2qg1A1 THR 1747 HA 0.07 0.09 0.56 -0.75 4.39 4.36 2qg1A1 THR 1747 HB 0.04 -0.03 0.12 -0.04 4.32 4.41 2qg1A1 THR 1747 HG23 0.03 0.03 -0.10 -0.04 1.22 1.15 2qg1A1 GLY 1748 H 0.03 0.08 0.18 -0.55 8.43 8.17 2qg1A1 GLY 1748 HA2 -0.09 0.09 0.35 -0.51 4.01 3.86 2qg1A1 GLY 1748 HA3 -0.18 0.14 0.80 -0.51 4.01 4.27 2qg1A1 VAL 1749 H -0.45 0.31 0.24 -0.55 8.24 7.79 2qg1A1 VAL 1749 HA 0.02 0.23 0.76 -0.75 4.13 4.39 2qg1A1 VAL 1749 HB -0.12 0.04 -0.01 -0.04 2.12 1.99 2qg1A1 VAL 1749 HG13 -0.02 -0.03 -0.20 -0.04 0.97 0.67 2qg1A1 VAL 1749 HG23 -0.03 0.01 -0.52 -0.04 0.95 0.36 2qg1A1 PHE 1750 H 0.16 0.46 0.37 -0.55 8.34 8.78 2qg1A1 PHE 1750 HA 0.00 0.26 1.03 -0.75 4.62 5.16 2qg1A1 PHE 1750 HB2 0.01 -0.02 -0.07 -0.04 3.15 3.02 2qg1A1 PHE 1750 HB3 0.01 0.08 -0.15 -0.04 3.06 2.95 2qg1A1 PHE 1750 HD2 0.01 0.17 -0.24 -0.04 7.28 7.18 2qg1A1 PHE 1750 HE2 0.01 0.06 -0.26 -0.04 7.38 7.14 2qg1A1 PHE 1750 HZ 0.01 0.10 -0.12 -0.04 7.32 7.28 2qg1A1 VAL 1751 H 0.12 0.81 0.24 -0.55 8.24 8.86 2qg1A1 VAL 1751 HA 0.05 0.15 0.71 -0.75 4.13 4.29 2qg1A1 VAL 1751 HB 0.06 -0.03 0.24 -0.04 2.12 2.36 2qg1A1 VAL 1751 HG13 0.03 -0.02 -0.29 -0.04 0.97 0.65 2qg1A1 VAL 1751 HG23 0.02 0.03 -0.06 -0.04 0.95 0.90 2qg1A1 SER 1752 H 0.04 0.60 0.35 -0.55 8.46 8.91 2qg1A1 SER 1752 HA 0.04 0.20 0.99 -0.75 4.49 4.96 2qg1A1 SER 1752 HB2 0.02 0.00 -0.02 -0.04 3.95 3.91 2qg1A1 SER 1752 HB3 0.05 0.04 -0.13 -0.04 3.93 3.84 2qg1A1 ASP 1753 H 0.02 0.27 0.24 -0.55 8.40 8.39 2qg1A1 ASP 1753 HA 0.01 0.21 0.66 -0.75 4.63 4.75 2qg1A1 ASP 1753 HB2 0.01 0.09 -0.17 -0.04 2.71 2.60 2qg1A1 ASP 1753 HB3 0.01 -0.11 -0.05 -0.04 2.70 2.51 2qg1A1 ILE 1754 H 0.01 0.30 0.04 -0.55 8.25 8.05 2qg1A1 ILE 1754 HA 0.01 0.21 0.93 -0.75 4.18 4.57 2qg1A1 ILE 1754 HB 0.01 0.01 0.04 -0.04 1.89 1.91 2qg1A1 ILE 1754 HG12 0.01 0.05 -0.22 -0.04 1.49 1.29 2qg1A1 ILE 1754 HG13 0.01 -0.15 -0.42 -0.04 1.21 0.61 2qg1A1 ILE 1754 HG23 0.01 0.05 -0.22 -0.04 0.93 0.72 2qg1A1 ILE 1754 HD13 0.01 -0.00 -0.40 -0.04 0.88 0.45 2qg1A1 VAL 1755 H 0.01 0.50 0.01 -0.55 8.24 8.20 2qg1A1 VAL 1755 HA 0.00 0.05 0.38 -0.75 4.13 3.82 2qg1A1 VAL 1755 HB 0.00 -0.11 0.12 -0.04 2.12 2.09 2qg1A1 VAL 1755 HG13 0.00 0.05 -0.11 -0.04 0.97 0.87 2qg1A1 VAL 1755 HG23 0.01 0.00 -0.20 -0.04 0.95 0.72 2qg1A1 LYS 1756 H 0.00 0.16 0.23 -0.55 8.42 8.26 2qg1A1 LYS 1756 HA 0.00 0.04 0.55 -0.75 4.32 4.15 2qg1A1 LYS 1756 HB2 0.00 -0.02 0.17 -0.04 1.87 1.98 2qg1A1 LYS 1756 HB3 0.00 0.05 0.00 -0.04 1.79 1.81 2qg1A1 GLY 1757 H 0.00 0.16 0.12 -0.55 8.43 8.16 2qg1A1 GLY 1757 HA2 0.00 0.03 0.36 -0.51 4.01 3.89 2qg1A1 GLY 1757 HA3 0.00 0.18 0.79 -0.51 4.01 4.47 2qg1A1 GLY 1758 H 0.00 0.40 -0.31 -0.55 8.43 7.97 2qg1A1 GLY 1758 HA2 0.00 0.12 0.19 -0.51 4.01 3.81 2qg1A1 GLY 1758 HA3 0.00 -0.05 0.31 -0.51 4.01 3.76 2qg1A1 ILE 1759 H 0.00 0.17 0.03 -0.55 8.25 7.90 2qg1A1 ILE 1759 HA 0.00 0.10 0.42 -0.75 4.18 3.96 2qg1A1 ILE 1759 HB 0.00 0.04 0.19 -0.04 1.89 2.08 2qg1A1 ILE 1759 HG12 0.00 0.02 0.08 -0.04 1.49 1.54 2qg1A1 ILE 1759 HG13 0.00 -0.06 0.08 -0.04 1.21 1.20 2qg1A1 ILE 1759 HG23 0.00 0.01 -0.13 -0.04 0.93 0.77 2qg1A1 ILE 1759 HD13 0.00 0.12 0.07 -0.04 0.88 1.03 2qg1A1 ALA 1760 H 0.00 0.45 0.08 -0.55 8.40 8.39 2qg1A1 ALA 1760 HA 0.00 0.03 0.42 -0.75 4.34 4.03 2qg1A1 ALA 1760 HB3 0.00 0.02 -0.04 -0.04 1.41 1.36 2qg1A1 ASP 1761 H 0.00 0.10 -0.31 -0.55 8.40 7.65 2qg1A1 ASP 1761 HA 0.00 0.04 0.35 -0.75 4.63 4.27 2qg1A1 ASP 1761 HB2 0.00 0.08 -0.05 -0.04 2.71 2.71 2qg1A1 ASP 1761 HB3 0.00 0.18 0.01 -0.04 2.70 2.86 2qg1A1 ALA 1762 H 0.00 0.53 -0.14 -0.55 8.40 8.24 2qg1A1 ALA 1762 HA 0.00 0.03 0.30 -0.75 4.34 3.92 2qg1A1 ALA 1762 HB3 0.00 0.01 0.07 -0.04 1.41 1.45 2qg1A1 ASP 1763 H 0.00 0.42 -0.22 -0.55 8.40 8.06 2qg1A1 ASP 1763 HA 0.00 0.04 0.40 -0.75 4.63 4.31 2qg1A1 ASP 1763 HB2 0.00 0.00 0.13 -0.04 2.71 2.80 2qg1A1 ASP 1763 HB3 0.00 0.02 0.12 -0.04 2.70 2.81 2qg1A1 GLY 1764 H 0.00 0.30 -0.29 -0.55 8.43 7.89 2qg1A1 GLY 1764 HA2 0.00 0.09 0.25 -0.51 4.01 3.85 2qg1A1 GLY 1764 HA3 0.00 0.08 0.11 -0.51 4.01 3.69 2qg1A1 ARG 1765 H 0.00 -0.07 -0.13 -0.55 8.46 7.72 2qg1A1 ARG 1765 HA 0.00 0.25 0.96 -0.75 4.34 4.80 2qg1A1 ARG 1765 HB2 0.00 -0.10 -0.02 -0.04 1.90 1.74 2qg1A1 ARG 1765 HB3 0.00 -0.04 -0.08 -0.04 1.80 1.64 2qg1A1 ARG 1765 HG2 0.00 0.04 -0.06 -0.04 1.67 1.61 2qg1A1 ARG 1765 HG3 0.00 0.18 -0.22 -0.04 1.67 1.59 2qg1A1 ARG 1765 HD2 0.00 -0.01 -0.00 -0.04 3.22 3.17 2qg1A1 ARG 1765 HD3 0.00 0.00 0.01 -0.04 3.22 3.19 2qg1A1 LEU 1766 H 0.00 -0.01 0.04 -0.55 8.37 7.86 2qg1A1 LEU 1766 HA 0.01 0.04 0.31 -0.75 4.35 3.96 2qg1A1 LEU 1766 HB2 0.01 -0.01 0.03 -0.04 1.64 1.62 2qg1A1 LEU 1766 HB3 0.01 0.01 -0.11 -0.04 1.64 1.50 2qg1A1 LEU 1766 HG 0.01 0.02 -0.13 -0.04 1.64 1.50 2qg1A1 LEU 1766 HD13 0.01 0.01 -0.10 -0.04 0.93 0.80 2qg1A1 LEU 1766 HD23 0.01 -0.01 -0.14 -0.04 0.89 0.71 2qg1A1 MET 1767 H 0.02 0.16 0.12 -0.55 8.47 8.21 2qg1A1 MET 1767 HA 0.01 0.18 0.76 -0.75 4.52 4.72 2qg1A1 MET 1767 HB2 0.02 -0.08 -0.03 -0.04 2.15 2.03 2qg1A1 MET 1767 HB3 0.02 0.10 -0.04 -0.04 2.03 2.07 2qg1A1 MET 1767 HG2 0.01 0.05 -0.11 -0.04 2.63 2.54 2qg1A1 MET 1767 HG3 0.01 0.13 -0.30 -0.04 2.56 2.37 2qg1A1 MET 1767 HE3 0.01 -0.00 -0.03 -0.04 2.10 2.03 2qg1A1 GLN 1768 H 0.02 0.15 0.02 -0.55 8.47 8.11 2qg1A1 GLN 1768 HA 0.03 0.00 0.34 -0.75 4.36 3.98 2qg1A1 GLN 1768 HB2 0.01 0.00 0.01 -0.04 2.15 2.13 2qg1A1 GLN 1768 HB3 0.01 0.01 0.09 -0.04 2.02 2.09 2qg1A1 GLN 1768 HG2 0.02 0.06 -0.20 -0.04 2.40 2.23 2qg1A1 GLN 1768 HG3 0.02 0.09 -0.09 -0.04 2.39 2.37 2qg1A1 GLN 1768 HE21 -0.00 -0.01 -0.01 -0.04 6.97 6.90 2qg1A1 GLN 1768 HE22 0.00 0.01 -0.08 -0.04 7.69 7.58 2qg1A1 GLY 1769 H 0.07 0.66 0.33 -0.55 8.43 8.94 2qg1A1 GLY 1769 HA2 0.06 0.02 0.34 -0.51 4.01 3.91 2qg1A1 GLY 1769 HA3 0.04 0.15 0.68 -0.51 4.01 4.37 2qg1A1 ASP 1770 H 0.07 0.42 -0.06 -0.55 8.40 8.28 2qg1A1 ASP 1770 HA 0.09 0.16 0.54 -0.75 4.63 4.67 2qg1A1 ASP 1770 HB2 0.04 -0.08 0.14 -0.04 2.71 2.78 2qg1A1 ASP 1770 HB3 0.03 0.01 -0.08 -0.04 2.70 2.62 2qg1A1 GLN 1771 H 0.08 0.58 0.38 -0.55 8.47 8.97 2qg1A1 GLN 1771 HA -0.35 0.20 1.03 -0.75 4.36 4.49 2qg1A1 GLN 1771 HB2 -0.01 0.06 0.11 -0.04 2.15 2.27 2qg1A1 GLN 1771 HB3 -0.07 -0.11 0.12 -0.04 2.02 1.92 2qg1A1 GLN 1771 HG2 -0.30 0.03 -0.28 -0.04 2.40 1.81 2qg1A1 GLN 1771 HG3 -1.03 0.07 0.08 -0.04 2.39 1.47 2qg1A1 GLN 1771 HE21 -0.07 0.01 0.03 -0.04 6.97 6.91 2qg1A1 GLN 1771 HE22 -0.22 -0.03 0.10 -0.04 7.69 7.51 2qg1A1 ILE 1772 H -0.25 0.63 0.28 -0.55 8.25 8.37 2qg1A1 ILE 1772 HA -0.06 0.09 0.71 -0.75 4.18 4.16 2qg1A1 ILE 1772 HB -0.10 0.01 0.04 -0.04 1.89 1.80 2qg1A1 ILE 1772 HG12 -0.03 0.01 -0.15 -0.04 1.49 1.28 2qg1A1 ILE 1772 HG13 -0.06 0.01 -0.16 -0.04 1.21 0.96 2qg1A1 ILE 1772 HG23 -0.04 -0.01 -0.21 -0.04 0.93 0.62 2qg1A1 ILE 1772 HD13 -0.03 -0.01 -0.18 -0.04 0.88 0.62 2qg1A1 LEU 1773 H -0.05 0.76 0.42 -0.55 8.37 8.95 2qg1A1 LEU 1773 HA -0.07 0.10 0.54 -0.75 4.35 4.16 2qg1A1 LEU 1773 HB2 -0.03 0.01 -0.05 -0.04 1.64 1.53 2qg1A1 LEU 1773 HB3 -0.03 -0.05 -0.04 -0.04 1.64 1.47 2qg1A1 LEU 1773 HG -0.04 0.07 -0.17 -0.04 1.64 1.46 2qg1A1 LEU 1773 HD13 -0.01 0.00 -0.26 -0.04 0.93 0.62 2qg1A1 LEU 1773 HD23 -0.05 0.01 -0.14 -0.04 0.89 0.67 2qg1A1 MET 1774 H -0.03 0.37 0.28 -0.55 8.47 8.53 2qg1A1 MET 1774 HA -0.02 0.30 0.82 -0.75 4.52 4.86 2qg1A1 MET 1774 HB2 -0.02 0.04 -0.36 -0.04 2.15 1.77 2qg1A1 MET 1774 HB3 -0.02 -0.13 -0.04 -0.04 2.03 1.81 2qg1A1 MET 1774 HG2 -0.01 -0.21 -0.39 -0.04 2.63 1.98 2qg1A1 MET 1774 HG3 -0.01 0.08 -0.80 -0.04 2.56 1.79 2qg1A1 MET 1774 HE3 -0.01 0.00 -0.14 -0.04 2.10 1.91 2qg1A1 VAL 1775 H -0.02 0.71 0.18 -0.55 8.24 8.56 2qg1A1 VAL 1775 HA -0.01 0.24 1.05 -0.75 4.13 4.65 2qg1A1 VAL 1775 HB -0.02 0.02 0.07 -0.04 2.12 2.16 2qg1A1 VAL 1775 HG13 -0.01 0.01 -0.16 -0.04 0.97 0.77 2qg1A1 VAL 1775 HG23 -0.02 -0.01 -0.21 -0.04 0.95 0.67 2qg1A1 ASN 1776 H -0.01 0.73 0.29 -0.55 8.53 8.99 2qg1A1 ASN 1776 HA -0.01 0.02 0.39 -0.75 4.76 4.40 2qg1A1 ASN 1776 HB2 -0.01 0.08 -0.00 -0.04 2.88 2.91 2qg1A1 ASN 1776 HB3 -0.01 0.04 0.25 -0.04 2.79 3.03 2qg1A1 ASN 1776 HD21 -0.00 0.08 0.08 -0.04 7.03 7.14 2qg1A1 ASN 1776 HD22 -0.01 0.03 -0.02 -0.04 7.74 7.70 2qg1A1 GLY 1777 H -0.01 0.05 -0.37 -0.55 8.43 7.55 2qg1A1 GLY 1777 HA2 -0.01 -0.03 0.20 -0.51 4.01 3.67 2qg1A1 GLY 1777 HA3 -0.01 0.17 0.38 -0.51 4.01 4.05 2qg1A1 GLU 1778 H -0.01 0.58 -0.44 -0.55 8.60 8.18 2qg1A1 GLU 1778 HA -0.01 0.12 0.76 -0.75 4.29 4.41 2qg1A1 GLU 1778 HB2 -0.01 0.08 0.03 -0.04 2.09 2.14 2qg1A1 GLU 1778 HB3 -0.01 -0.02 0.08 -0.04 1.99 2.00 2qg1A1 GLU 1778 HG2 -0.01 0.10 -0.33 -0.04 2.34 2.05 2qg1A1 GLU 1778 HG3 -0.01 -0.02 0.03 -0.04 2.34 2.30 2qg1A1 ASP 1779 H -0.01 0.20 0.19 -0.55 8.40 8.23 2qg1A1 ASP 1779 HA -0.02 0.12 0.57 -0.75 4.63 4.55 2qg1A1 ASP 1779 HB2 -0.01 0.07 0.15 -0.04 2.71 2.88 2qg1A1 ASP 1779 HB3 -0.01 0.02 0.20 -0.04 2.70 2.86 2qg1A1 VAL 1780 H -0.03 0.71 0.36 -0.55 8.24 8.73 2qg1A1 VAL 1780 HA -0.03 0.16 0.82 -0.75 4.13 4.33 2qg1A1 VAL 1780 HB -0.04 -0.09 0.11 -0.04 2.12 2.06 2qg1A1 VAL 1780 HG13 -0.02 0.04 -0.26 -0.04 0.97 0.68 2qg1A1 VAL 1780 HG23 -0.05 0.06 -0.35 -0.04 0.95 0.57 2qg1A1 ARG 1781 H -0.03 0.12 0.08 -0.55 8.46 8.08 2qg1A1 ARG 1781 HA -0.08 0.00 0.39 -0.75 4.34 3.90 2qg1A1 ARG 1781 HB2 -0.02 0.00 0.12 -0.04 1.90 1.96 2qg1A1 ARG 1781 HB3 -0.03 0.00 0.05 -0.04 1.80 1.78 2qg1A1 ARG 1781 HG2 -0.05 0.03 0.06 -0.04 1.67 1.67 2qg1A1 ARG 1781 HG3 -0.04 0.09 0.20 -0.04 1.67 1.88 2qg1A1 ARG 1781 HD2 -0.01 0.00 0.01 -0.04 3.22 3.17 2qg1A1 ARG 1781 HD3 -0.02 0.00 -0.01 -0.04 3.22 3.16 2qg1A1 ASN 1782 H -0.02 0.07 -0.30 -0.55 8.53 7.73 2qg1A1 ASN 1782 HA -0.01 0.18 0.77 -0.75 4.76 4.95 2qg1A1 ASN 1782 HB2 -0.01 -0.01 -0.06 -0.04 2.88 2.77 2qg1A1 ASN 1782 HB3 -0.01 0.01 0.01 -0.04 2.79 2.76 2qg1A1 ASN 1782 HD21 0.00 0.01 0.03 -0.04 7.03 7.03 2qg1A1 ASN 1782 HD22 -0.00 -0.00 0.00 -0.04 7.74 7.70 2qg1A1 ALA 1783 H -0.03 0.35 -0.33 -0.55 8.40 7.84 2qg1A1 ALA 1783 HA -0.01 0.08 0.39 -0.75 4.34 4.05 2qg1A1 ALA 1783 HB3 -0.02 0.02 0.08 -0.04 1.41 1.45 2qg1A1 THR 1784 H -0.00 0.07 0.18 -0.55 8.28 7.98 2qg1A1 THR 1784 HA 0.01 0.29 0.79 -0.75 4.39 4.72 2qg1A1 THR 1784 HB 0.01 -0.06 0.16 -0.04 4.32 4.38 2qg1A1 THR 1784 HG23 0.01 0.06 0.05 -0.04 1.22 1.30 2qg1A1 GLN 1785 H 0.02 0.24 0.15 -0.55 8.47 8.33 2qg1A1 GLN 1785 HA 0.01 0.09 0.33 -0.75 4.36 4.04 2qg1A1 GLN 1785 HB2 0.03 0.02 0.10 -0.04 2.15 2.26 2qg1A1 GLN 1785 HB3 0.02 -0.00 0.16 -0.04 2.02 2.15 2qg1A1 GLN 1785 HG2 0.02 0.02 -0.23 -0.04 2.40 2.16 2qg1A1 GLN 1785 HG3 0.02 0.02 -0.14 -0.04 2.39 2.25 2qg1A1 GLN 1785 HE21 0.02 0.02 0.09 -0.04 6.97 7.06 2qg1A1 GLN 1785 HE22 0.02 -0.00 0.04 -0.04 7.69 7.70 2qg1A1 GLU 1786 H 0.01 0.10 -0.14 -0.55 8.60 8.03 2qg1A1 GLU 1786 HA 0.00 0.12 0.35 -0.75 4.29 4.01 2qg1A1 GLU 1786 HB2 0.00 0.08 -0.03 -0.04 2.09 2.10 2qg1A1 GLU 1786 HB3 0.01 0.05 0.07 -0.04 1.99 2.07 2qg1A1 ALA 1787 H -0.00 0.01 -0.26 -0.55 8.40 7.60 2qg1A1 ALA 1787 HA -0.00 0.12 0.55 -0.75 4.34 4.25 2qg1A1 ALA 1787 HB3 -0.01 0.02 0.09 -0.04 1.41 1.48 2qg1A1 VAL 1788 H -0.01 0.56 -0.09 -0.55 8.24 8.15 2qg1A1 VAL 1788 HA -0.01 0.05 0.47 -0.75 4.13 3.88 2qg1A1 VAL 1788 HB -0.02 0.03 -0.01 -0.04 2.12 2.08 2qg1A1 VAL 1788 HG13 -0.03 -0.01 -0.15 -0.04 0.97 0.74 2qg1A1 VAL 1788 HG23 -0.03 0.04 -0.07 -0.04 0.95 0.84 2qg1A1 ALA 1789 H -0.00 0.62 -0.18 -0.55 8.40 8.29 2qg1A1 ALA 1789 HA -0.00 -0.01 0.33 -0.75 4.34 3.90 2qg1A1 ALA 1789 HB3 0.00 0.00 0.09 -0.04 1.41 1.46 2qg1A1 ALA 1790 H -0.00 0.55 -0.14 -0.55 8.40 8.26 2qg1A1 ALA 1790 HA -0.00 0.01 0.44 -0.75 4.34 4.04 2qg1A1 ALA 1790 HB3 -0.00 0.02 0.12 -0.04 1.41 1.51 2qg1A1 LEU 1791 H -0.01 0.48 -0.23 -0.55 8.37 8.07 2qg1A1 LEU 1791 HA -0.00 0.03 0.37 -0.75 4.35 3.99 2qg1A1 LEU 1791 HB2 -0.01 0.03 0.08 -0.04 1.64 1.71 2qg1A1 LEU 1791 HB3 -0.01 0.07 0.13 -0.04 1.64 1.79 2qg1A1 LEU 1791 HG -0.01 -0.02 -0.28 -0.04 1.64 1.30 2qg1A1 LEU 1791 HD13 -0.01 0.00 -0.01 -0.04 0.93 0.87 2qg1A1 LEU 1791 HD23 -0.01 -0.01 -0.06 -0.04 0.89 0.77 2qg1A1 LEU 1792 H -0.01 0.57 -0.11 -0.55 8.37 8.28 2qg1A1 LEU 1792 HA -0.01 0.01 0.48 -0.75 4.35 4.08 2qg1A1 LEU 1792 HB2 -0.00 0.08 0.12 -0.04 1.64 1.79 2qg1A1 LEU 1792 HB3 -0.00 -0.08 -0.01 -0.04 1.64 1.50 2qg1A1 LEU 1792 HG -0.01 0.11 0.01 -0.04 1.64 1.71 2qg1A1 LEU 1792 HD13 -0.01 -0.04 -0.13 -0.04 0.93 0.71 2qg1A1 LEU 1792 HD23 -0.01 -0.01 -0.06 -0.04 0.89 0.76 2qg1A1 LYS 1793 H -0.00 0.55 -0.16 -0.55 8.42 8.26 2qg1A1 LYS 1793 HA -0.00 -0.01 0.50 -0.75 4.32 4.06 2qg1A1 LYS 1793 HB2 -0.00 0.08 0.16 -0.04 1.87 2.06 2qg1A1 LYS 1793 HB3 -0.00 -0.04 0.03 -0.04 1.79 1.74 2qg1A1 LYS 1793 HG2 0.00 -0.09 0.04 -0.04 1.46 1.37 2qg1A1 LYS 1793 HG3 0.00 0.21 0.07 -0.04 1.46 1.69 2qg1A1 LYS 1793 HD2 0.00 -0.02 -0.08 -0.04 1.69 1.55 2qg1A1 LYS 1793 HD3 0.00 -0.00 -0.01 -0.04 1.68 1.63 2qg1A1 LYS 1793 HE2 0.00 -0.03 -0.00 -0.04 2.99 2.92 2qg1A1 LYS 1793 HE3 0.00 -0.04 -0.03 -0.04 2.99 2.88 2qg1A1 CYS 1794 H -0.00 0.44 -0.19 -0.55 8.50 8.20 2qg1A1 CYS 1794 HA -0.00 0.05 0.54 -0.75 4.58 4.42 2qg1A1 CYS 1794 HB2 -0.00 0.05 0.09 -0.04 2.97 3.07 2qg1A1 CYS 1794 HB3 -0.00 -0.08 0.09 -0.04 2.97 2.93 2qg1A1 SER 1795 H -0.00 0.24 -0.38 -0.55 8.46 7.77 2qg1A1 SER 1795 HA -0.00 0.02 0.60 -0.75 4.49 4.36 2qg1A1 SER 1795 HB2 -0.00 0.05 0.08 -0.04 3.95 4.03 2qg1A1 SER 1795 HB3 -0.00 -0.03 -0.01 -0.04 3.93 3.84 2qg1A1 LEU 1796 H -0.00 0.18 0.19 -0.55 8.37 8.18 2qg1A1 LEU 1796 HA -0.00 0.16 0.77 -0.75 4.35 4.53 2qg1A1 LEU 1796 HB2 -0.00 -0.02 0.04 -0.04 1.64 1.62 2qg1A1 LEU 1796 HB3 -0.00 -0.05 0.01 -0.04 1.64 1.55 2qg1A1 LEU 1796 HG -0.00 0.15 -0.33 -0.04 1.64 1.42 2qg1A1 LEU 1796 HD13 -0.00 -0.02 -0.02 -0.04 0.93 0.85 2qg1A1 LEU 1796 HD23 -0.00 0.02 -0.04 -0.04 0.89 0.83 2qg1A1 GLY 1797 H -0.00 0.17 0.12 -0.55 8.43 8.17 2qg1A1 GLY 1797 HA2 -0.00 0.06 0.37 -0.51 4.01 3.93 2qg1A1 GLY 1797 HA3 -0.00 0.04 0.55 -0.51 4.01 4.08 2qg1A1 THR 1798 H -0.00 0.12 0.20 -0.55 8.28 8.05 2qg1A1 THR 1798 HA -0.00 0.13 0.61 -0.75 4.39 4.37 2qg1A1 THR 1798 HB -0.00 -0.00 0.12 -0.04 4.32 4.39 2qg1A1 THR 1798 HG23 -0.00 -0.02 -0.26 -0.04 1.22 0.90 2qg1A1 VAL 1799 H -0.00 0.75 0.35 -0.55 8.24 8.79 2qg1A1 VAL 1799 HA -0.00 0.15 0.90 -0.75 4.13 4.42 2qg1A1 VAL 1799 HB -0.00 -0.06 0.19 -0.04 2.12 2.20 2qg1A1 VAL 1799 HG13 -0.01 -0.02 -0.13 -0.04 0.97 0.78 2qg1A1 VAL 1799 HG23 -0.00 0.06 -0.17 -0.04 0.95 0.79 2qg1A1 THR 1800 H -0.01 0.19 0.13 -0.55 8.28 8.05 2qg1A1 THR 1800 HA -0.00 0.26 0.94 -0.75 4.39 4.83 2qg1A1 THR 1800 HB -0.01 -0.09 0.15 -0.04 4.32 4.33 2qg1A1 THR 1800 HG23 -0.00 -0.00 -0.20 -0.04 1.22 0.97 2qg1A1 LEU 1801 H -0.01 0.89 0.42 -0.55 8.37 9.13 2qg1A1 LEU 1801 HA -0.01 0.27 1.05 -0.75 4.35 4.90 2qg1A1 LEU 1801 HB2 -0.01 -0.02 0.10 -0.04 1.64 1.67 2qg1A1 LEU 1801 HB3 -0.01 0.01 -0.05 -0.04 1.64 1.54 2qg1A1 LEU 1801 HG -0.01 0.07 -0.12 -0.04 1.64 1.54 2qg1A1 LEU 1801 HD13 -0.01 -0.01 -0.10 -0.04 0.93 0.77 2qg1A1 LEU 1801 HD23 -0.01 0.00 -0.12 -0.04 0.89 0.72 2qg1A1 GLU 1802 H -0.02 0.46 0.32 -0.55 8.60 8.83 2qg1A1 GLU 1802 HA -0.01 0.00 1.10 -0.75 4.29 4.63 2qg1A1 GLU 1802 HB2 -0.01 0.00 0.14 -0.04 2.09 2.17 2qg1A1 GLU 1802 HB3 -0.01 0.06 0.01 -0.04 1.99 2.01 2qg1A1 GLU 1802 HG2 -0.01 0.01 -0.07 -0.04 2.34 2.23 2qg1A1 GLU 1802 HG3 -0.01 0.00 -0.02 -0.04 2.34 2.27 2qg1A1 VAL 1803 H -0.01 0.68 0.35 -0.55 8.24 8.71 2qg1A1 VAL 1803 HA -0.03 0.24 1.18 -0.75 4.13 4.76 2qg1A1 VAL 1803 HB -0.00 0.07 -0.01 -0.04 2.12 2.14 2qg1A1 VAL 1803 HG13 -0.01 -0.04 -0.29 -0.04 0.97 0.59 2qg1A1 VAL 1803 HG23 0.00 0.01 -0.17 -0.04 0.95 0.75 2qg1A1 GLY 1804 H -0.01 0.58 0.34 -0.55 8.43 8.80 2qg1A1 GLY 1804 HA2 0.02 0.34 1.06 -0.51 4.01 4.92 2qg1A1 GLY 1804 HA3 0.02 -0.00 0.34 -0.51 4.01 3.86 2qg1A1 ARG 1805 H 0.02 0.78 0.30 -0.55 8.46 9.01 2qg1A1 ARG 1805 HA 0.04 -0.03 0.56 -0.75 4.34 4.15 2qg1A1 ARG 1805 HB2 0.02 0.07 0.12 -0.04 1.90 2.06 2qg1A1 ARG 1805 HB3 0.02 -0.02 -0.06 -0.04 1.80 1.70 2qg1A1 ARG 1805 HG2 0.02 0.01 -0.06 -0.04 1.67 1.59 2qg1A1 ARG 1805 HG3 0.01 0.00 -0.07 -0.04 1.67 1.57 2qg1A1 ARG 1805 HD2 0.01 0.00 -0.05 -0.04 3.22 3.15 2qg1A1 ARG 1805 HD3 0.02 -0.07 -0.07 -0.04 3.22 3.06 2qg1A1 ILE 1806 H 0.06 0.16 0.05 -0.55 8.25 7.97 2qg1A1 ILE 1806 HA 0.08 0.16 0.79 -0.75 4.18 4.45 2qg1A1 ILE 1806 HB 0.08 0.03 0.12 -0.04 1.89 2.08 2qg1A1 ILE 1806 HG12 0.16 -0.01 -0.01 -0.04 1.49 1.59 2qg1A1 ILE 1806 HG13 0.38 0.06 0.02 -0.04 1.21 1.63 2qg1A1 ILE 1806 HG23 0.07 0.01 -0.10 -0.04 0.93 0.87 2qg1A1 ILE 1806 HD13 0.17 0.01 -0.12 -0.04 0.88 0.90 2qg1A1 SER 1807 H 0.04 0.16 0.12 -0.55 8.46 8.24 2qg1A1 SER 1807 HA -0.03 0.00 0.61 -0.75 4.49 4.32 2qg1A1 SER 1807 HB2 -0.09 0.00 0.01 -0.04 3.95 3.83 2qg1A1 SER 1807 HB3 -0.17 0.00 0.01 -0.04 3.93 3.73 2qg1A1 THR 1808 H -0.08 0.20 0.11 -0.55 8.28 7.97 2qg1A1 THR 1808 HA 0.03 0.16 0.87 -0.75 4.39 4.71 2qg1A1 THR 1808 HB -0.03 -0.02 0.09 -0.04 4.32 4.32 2qg1A1 THR 1808 HG23 0.01 0.03 -0.09 -0.04 1.22 1.13 2qg1A1 TYR 1809 H 0.23 0.16 0.08 -0.55 8.29 8.22 2qg1A1 TYR 1809 HA -0.00 0.08 0.68 -0.75 4.56 4.56 2qg1A1 TYR 1809 HB2 -0.00 -0.01 0.11 -0.04 3.06 3.11 2qg1A1 TYR 1809 HB3 -0.00 0.06 -0.03 -0.04 2.98 2.96 2qg1A1 TYR 1809 HD2 0.00 0.03 -0.02 -0.04 7.15 7.12 2qg1A1 TYR 1809 HE2 0.01 0.01 -0.04 -0.04 6.85 6.79 2qg1A1 VAL 1810 H 0.05 0.24 0.07 -0.55 8.24 8.05 2qg1A1 VAL 1810 HA 0.04 0.21 0.61 -0.75 4.13 4.24 2qg1A1 VAL 1810 HB 0.01 0.02 0.03 -0.04 2.12 2.13 2qg1A1 VAL 1810 HG13 -0.00 0.03 -0.31 -0.04 0.97 0.64 2qg1A1 VAL 1810 HG23 -0.01 0.01 0.03 -0.04 0.95 0.94