============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 3 rings ring int. center anis. iso. PHE 28 1.000 14.606 14.679 15.600 -99.200 -91.000 HIS 33 0.900 4.907 10.762 0.482 -99.200 -91.000 HIS 63 0.900 6.342 12.496 18.763 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2iwoA1 LEU 1832 HA 0.01 0.14 0.41 -0.75 4.35 4.15 2iwoA1 LEU 1832 HB2 0.01 -0.05 0.05 -0.04 1.64 1.61 2iwoA1 LEU 1832 HB3 0.01 -0.03 0.05 -0.04 1.64 1.63 2iwoA1 LEU 1832 HG 0.01 0.07 -0.28 -0.04 1.64 1.40 2iwoA1 LEU 1832 HD13 0.01 0.01 -0.14 -0.04 0.93 0.77 2iwoA1 LEU 1832 HD23 0.01 -0.02 -0.11 -0.04 0.89 0.73 2iwoA1 ARG 1833 H 0.01 0.54 0.33 -0.55 8.46 8.79 2iwoA1 ARG 1833 HA 0.01 0.20 1.04 -0.75 4.34 4.83 2iwoA1 ARG 1833 HB2 0.01 -0.07 0.09 -0.04 1.90 1.89 2iwoA1 ARG 1833 HB3 0.01 0.05 -0.01 -0.04 1.80 1.81 2iwoA1 ARG 1833 HG2 0.01 0.02 0.03 -0.04 1.67 1.68 2iwoA1 ARG 1833 HG3 0.01 0.03 -0.25 -0.04 1.67 1.42 2iwoA1 ARG 1833 HD2 0.01 0.22 0.02 -0.04 3.22 3.43 2iwoA1 ARG 1833 HD3 0.01 -0.01 -0.03 -0.04 3.22 3.15 2iwoA1 THR 1834 H 0.01 0.23 0.20 -0.55 8.28 8.17 2iwoA1 THR 1834 HA 0.01 0.19 1.11 -0.75 4.39 4.94 2iwoA1 THR 1834 HB 0.00 0.00 0.13 -0.04 4.32 4.41 2iwoA1 THR 1834 HG23 0.00 -0.01 -0.17 -0.04 1.22 1.01 2iwoA1 VAL 1835 H 0.01 0.77 0.39 -0.55 8.24 8.86 2iwoA1 VAL 1835 HA 0.01 0.17 0.89 -0.75 4.13 4.44 2iwoA1 VAL 1835 HB 0.01 -0.06 -0.02 -0.04 2.12 2.01 2iwoA1 VAL 1835 HG13 0.01 0.02 -0.12 -0.04 0.97 0.84 2iwoA1 VAL 1835 HG23 0.01 0.03 -0.36 -0.04 0.95 0.59 2iwoA1 GLU 1836 H 0.00 0.26 0.15 -0.55 8.60 8.47 2iwoA1 GLU 1836 HA 0.00 0.16 0.75 -0.75 4.29 4.45 2iwoA1 GLU 1836 HB2 0.00 0.01 0.12 -0.04 2.09 2.18 2iwoA1 GLU 1836 HB3 0.00 0.01 -0.05 -0.04 1.99 1.91 2iwoA1 GLU 1836 HG2 0.00 -0.01 -0.21 -0.04 2.34 2.09 2iwoA1 GLU 1836 HG3 0.00 0.01 -0.07 -0.04 2.34 2.24 2iwoA1 MET 1837 H 0.00 0.62 0.20 -0.55 8.47 8.74 2iwoA1 MET 1837 HA 0.00 0.20 0.85 -0.75 4.52 4.81 2iwoA1 MET 1837 HB2 0.00 -0.00 -0.02 -0.04 2.15 2.09 2iwoA1 MET 1837 HB3 0.00 0.02 -0.07 -0.04 2.03 1.94 2iwoA1 MET 1837 HG2 0.01 0.10 -0.17 -0.04 2.63 2.52 2iwoA1 MET 1837 HG3 0.01 -0.08 -0.48 -0.04 2.56 1.96 2iwoA1 MET 1837 HE3 0.00 0.01 -0.16 -0.04 2.10 1.92 2iwoA1 LYS 1838 H 0.00 0.22 0.13 -0.55 8.42 8.22 2iwoA1 LYS 1838 HA -0.00 0.39 0.87 -0.75 4.32 4.82 2iwoA1 LYS 1838 HB2 0.00 0.00 0.10 -0.04 1.87 1.93 2iwoA1 LYS 1838 HB3 -0.00 0.03 0.00 -0.04 1.79 1.78 2iwoA1 LYS 1839 H -0.01 0.16 -0.01 -0.55 8.42 8.01 2iwoA1 LYS 1839 HA -0.01 0.07 0.12 -0.75 4.32 3.75 2iwoA1 LYS 1839 HB2 -0.01 -0.06 -0.10 -0.04 1.87 1.66 2iwoA1 LYS 1839 HB3 -0.01 0.14 -1.89 -0.04 1.79 -0.02 2iwoA1 LYS 1839 HG2 -0.01 -0.11 -0.26 -0.04 1.46 1.04 2iwoA1 LYS 1839 HG3 -0.01 -0.04 -0.14 -0.04 1.46 1.23 2iwoA1 LYS 1839 HD2 -0.01 0.08 -0.00 -0.04 1.69 1.71 2iwoA1 LYS 1839 HD3 -0.02 0.00 -0.10 -0.04 1.68 1.53 2iwoA1 LYS 1839 HE2 -0.02 -0.28 -0.04 -0.04 2.99 2.62 2iwoA1 LYS 1839 HE3 -0.01 -0.04 -0.08 -0.04 2.99 2.81 2iwoA1 SER 1844 HA -0.03 0.03 0.29 -0.75 4.49 4.02 2iwoA1 SER 1844 HB2 -0.05 0.08 0.10 -0.04 3.95 4.04 2iwoA1 SER 1844 HB3 -0.07 0.00 0.04 -0.04 3.93 3.87 2iwoA1 LEU 1845 H -0.02 0.17 0.13 -0.55 8.37 8.11 2iwoA1 LEU 1845 HA -0.00 0.19 0.79 -0.75 4.35 4.57 2iwoA1 LEU 1845 HB2 -0.01 -0.04 0.02 -0.04 1.64 1.57 2iwoA1 LEU 1845 HB3 0.00 -0.03 -0.00 -0.04 1.64 1.57 2iwoA1 LEU 1845 HG -0.01 0.06 -0.04 -0.04 1.64 1.60 2iwoA1 LEU 1845 HD13 -0.01 0.02 -0.07 -0.04 0.93 0.83 2iwoA1 LEU 1845 HD23 -0.00 0.02 -0.16 -0.04 0.89 0.71 2iwoA1 GLY 1846 H -0.02 0.14 -0.02 -0.55 8.43 7.98 2iwoA1 GLY 1846 HA2 -0.00 0.07 0.29 -0.51 4.01 3.86 2iwoA1 GLY 1846 HA3 0.04 0.00 0.42 -0.51 4.01 3.97 2iwoA1 ILE 1847 H 0.00 0.14 -0.03 -0.55 8.25 7.81 2iwoA1 ILE 1847 HA 0.03 0.19 0.73 -0.75 4.18 4.38 2iwoA1 ILE 1847 HB 0.01 0.06 -0.01 -0.04 1.89 1.91 2iwoA1 ILE 1847 HG12 0.00 -0.12 -0.16 -0.04 1.49 1.17 2iwoA1 ILE 1847 HG13 -0.01 -0.00 -0.28 -0.04 1.21 0.88 2iwoA1 ILE 1847 HG23 0.02 0.01 -0.22 -0.04 0.93 0.70 2iwoA1 ILE 1847 HD13 0.00 0.02 -0.17 -0.04 0.88 0.69 2iwoA1 SER 1848 H 0.01 0.65 0.21 -0.55 8.46 8.79 2iwoA1 SER 1848 HA -0.00 0.17 0.86 -0.75 4.49 4.76 2iwoA1 SER 1848 HB2 0.00 -0.12 0.11 -0.04 3.95 3.90 2iwoA1 SER 1848 HB3 -0.01 0.09 -0.04 -0.04 3.93 3.93 2iwoA1 ILE 1849 H -0.01 0.20 0.17 -0.55 8.25 8.06 2iwoA1 ILE 1849 HA -0.12 0.25 1.16 -0.75 4.18 4.71 2iwoA1 ILE 1849 HB -0.05 0.08 0.07 -0.04 1.89 1.95 2iwoA1 ILE 1849 HG12 -0.05 -0.03 0.03 -0.04 1.49 1.40 2iwoA1 ILE 1849 HG13 -0.01 0.00 -0.02 -0.04 1.21 1.15 2iwoA1 ILE 1849 HG23 -0.02 -0.01 -0.24 -0.04 0.93 0.62 2iwoA1 ILE 1849 HD13 -0.10 0.00 -0.16 -0.04 0.88 0.59 2iwoA1 ALA 1850 H -0.45 0.64 0.42 -0.55 8.40 8.47 2iwoA1 ALA 1850 HA -0.32 0.17 0.76 -0.75 4.34 4.20 2iwoA1 ALA 1850 HB3 -0.85 -0.01 0.03 -0.04 1.41 0.54 2iwoA1 GLY 1851 H -0.19 0.08 0.17 -0.55 8.43 7.94 2iwoA1 GLY 1851 HA2 0.13 0.00 0.32 -0.51 4.01 3.96 2iwoA1 GLY 1851 HA3 0.18 0.25 0.42 -0.51 4.01 4.36 2iwoA1 GLY 1852 H 0.11 0.52 -0.05 -0.55 8.43 8.46 2iwoA1 GLY 1852 HA2 0.06 0.06 0.38 -0.51 4.01 4.01 2iwoA1 GLY 1852 HA3 0.08 0.05 0.77 -0.51 4.01 4.40 2iwoA1 VAL 1853 H 0.04 0.63 0.20 -0.55 8.24 8.56 2iwoA1 VAL 1853 HA 0.03 -0.05 0.60 -0.75 4.13 3.96 2iwoA1 VAL 1853 HB 0.02 -0.02 -0.22 -0.04 2.12 1.86 2iwoA1 VAL 1853 HG13 0.02 0.01 -0.12 -0.04 0.97 0.83 2iwoA1 VAL 1853 HG23 0.02 0.05 -0.08 -0.04 0.95 0.90 2iwoA1 GLY 1854 H 0.02 0.10 0.03 -0.55 8.43 8.03 2iwoA1 GLY 1854 HA2 0.02 0.01 0.26 -0.51 4.01 3.79 2iwoA1 GLY 1854 HA3 0.02 0.05 0.34 -0.51 4.01 3.91 2iwoA1 SER 1855 H 0.03 0.34 -0.26 -0.55 8.46 8.02 2iwoA1 SER 1855 HA -0.01 0.06 0.39 -0.75 4.49 4.18 2iwoA1 SER 1855 HB2 -0.00 -0.08 0.10 -0.04 3.95 3.92 2iwoA1 SER 1855 HB3 0.04 0.20 -0.04 -0.04 3.93 4.09 2iwoA1 PRO 1856 HA -0.00 0.13 0.44 -0.51 4.44 4.50 2iwoA1 PRO 1856 HB2 0.00 0.02 0.01 -0.04 2.28 2.28 2iwoA1 PRO 1856 HB3 -0.00 0.04 0.12 -0.04 2.02 2.14 2iwoA1 PRO 1856 HG2 -0.03 0.03 0.10 -0.04 2.03 2.09 2iwoA1 PRO 1856 HG3 -0.03 0.06 0.11 -0.04 2.03 2.14 2iwoA1 PRO 1856 HD2 -0.03 0.04 0.21 -0.04 3.68 3.87 2iwoA1 PRO 1856 HD3 -0.05 0.13 0.23 -0.04 3.65 3.92 2iwoA1 LEU 1857 H 0.02 0.05 -0.33 -0.55 8.37 7.56 2iwoA1 LEU 1857 HA 0.01 0.19 0.74 -0.75 4.35 4.53 2iwoA1 LEU 1857 HB2 0.03 -0.03 -0.03 -0.04 1.64 1.56 2iwoA1 LEU 1857 HB3 0.01 0.03 0.09 -0.04 1.64 1.72 2iwoA1 LEU 1857 HG 0.02 -0.06 -0.11 -0.04 1.64 1.45 2iwoA1 LEU 1857 HD13 0.02 0.00 -0.02 -0.04 0.93 0.89 2iwoA1 LEU 1857 HD23 0.00 0.02 -0.00 -0.04 0.89 0.88 2iwoA1 GLY 1858 H 0.01 0.53 -0.38 -0.55 8.43 8.05 2iwoA1 GLY 1858 HA2 0.01 0.03 0.21 -0.51 4.01 3.75 2iwoA1 GLY 1858 HA3 0.01 0.16 0.69 -0.51 4.01 4.36 2iwoA1 ASP 1859 H 0.01 0.20 0.12 -0.55 8.40 8.19 2iwoA1 ASP 1859 HA 0.03 0.03 0.66 -0.75 4.63 4.59 2iwoA1 ASP 1859 HB2 0.02 0.05 0.23 -0.04 2.71 2.96 2iwoA1 ASP 1859 HB3 0.02 0.02 0.03 -0.04 2.70 2.73 2iwoA1 VAL 1860 H 0.05 0.46 0.17 -0.55 8.24 8.38 2iwoA1 VAL 1860 HA 0.03 0.24 0.82 -0.75 4.13 4.46 2iwoA1 VAL 1860 HB 0.03 0.07 0.05 -0.04 2.12 2.23 2iwoA1 VAL 1860 HG13 0.02 0.01 -0.40 -0.04 0.97 0.56 2iwoA1 VAL 1860 HG23 0.15 0.03 -0.07 -0.04 0.95 1.01 2iwoA1 PRO 1861 HA 0.07 0.01 0.54 -0.51 4.44 4.54 2iwoA1 PRO 1861 HB2 0.07 0.03 -0.04 -0.04 2.28 2.30 2iwoA1 PRO 1861 HB3 0.05 0.06 0.04 -0.04 2.02 2.13 2iwoA1 PRO 1861 HG2 0.02 0.06 0.04 -0.04 2.03 2.11 2iwoA1 PRO 1861 HG3 0.03 0.03 0.04 -0.04 2.03 2.09 2iwoA1 PRO 1861 HD2 0.02 0.11 0.17 -0.04 3.68 3.94 2iwoA1 PRO 1861 HD3 0.02 0.17 0.13 -0.04 3.65 3.93 2iwoA1 ILE 1862 H 0.08 0.12 0.20 -0.55 8.25 8.10 2iwoA1 ILE 1862 HA 0.09 0.23 0.62 -0.75 4.18 4.37 2iwoA1 ILE 1862 HB 0.05 0.02 0.17 -0.04 1.89 2.09 2iwoA1 ILE 1862 HG12 0.05 -0.04 0.10 -0.04 1.49 1.56 2iwoA1 ILE 1862 HG13 0.03 -0.01 0.00 -0.04 1.21 1.19 2iwoA1 ILE 1862 HG23 0.02 0.00 -0.13 -0.04 0.93 0.78 2iwoA1 ILE 1862 HD13 0.06 0.01 -0.33 -0.04 0.88 0.58 2iwoA1 PHE 1863 H -0.11 0.53 0.33 -0.55 8.34 8.53 2iwoA1 PHE 1863 HA 0.02 0.18 0.95 -0.75 4.62 5.01 2iwoA1 PHE 1863 HB2 0.01 0.09 -0.10 -0.04 3.15 3.11 2iwoA1 PHE 1863 HB3 0.01 0.06 -0.30 -0.04 3.06 2.80 2iwoA1 PHE 1863 HD2 0.01 0.22 -0.33 -0.04 7.28 7.14 2iwoA1 PHE 1863 HE2 -0.00 -0.02 -0.12 -0.04 7.38 7.19 2iwoA1 PHE 1863 HZ -0.01 -0.00 -0.07 -0.04 7.32 7.20 2iwoA1 ILE 1864 H 0.19 0.71 0.19 -0.55 8.25 8.79 2iwoA1 ILE 1864 HA -0.00 0.15 0.79 -0.75 4.18 4.36 2iwoA1 ILE 1864 HB 0.08 -0.03 0.24 -0.04 1.89 2.14 2iwoA1 ILE 1864 HG12 0.03 -0.01 -0.11 -0.04 1.49 1.35 2iwoA1 ILE 1864 HG13 0.06 0.06 -0.07 -0.04 1.21 1.22 2iwoA1 ILE 1864 HG23 0.04 -0.03 -0.17 -0.04 0.93 0.73 2iwoA1 ILE 1864 HD13 0.03 0.01 -0.13 -0.04 0.88 0.75 2iwoA1 ALA 1865 H -0.07 0.59 0.35 -0.55 8.40 8.72 2iwoA1 ALA 1865 HA 0.21 0.11 0.67 -0.75 4.34 4.57 2iwoA1 ALA 1865 HB3 -0.08 -0.00 -0.04 -0.04 1.41 1.25 2iwoA1 MET 1866 H 0.02 0.34 0.22 -0.55 8.47 8.50 2iwoA1 MET 1866 HA 0.03 0.15 0.51 -0.75 4.52 4.46 2iwoA1 MET 1866 HB2 0.02 -0.09 -0.10 -0.04 2.15 1.95 2iwoA1 MET 1866 HB3 0.03 0.02 -0.02 -0.04 2.03 2.02 2iwoA1 MET 1866 HG2 0.03 0.12 0.08 -0.04 2.63 2.82 2iwoA1 MET 1866 HG3 0.02 -0.05 -0.48 -0.04 2.56 2.02 2iwoA1 MET 1866 HE3 0.02 -0.02 -0.10 -0.04 2.10 1.96 2iwoA1 MET 1867 H 0.03 0.35 0.11 -0.55 8.47 8.41 2iwoA1 MET 1867 HA 0.04 0.15 0.85 -0.75 4.52 4.81 2iwoA1 MET 1867 HB2 0.02 -0.05 -0.05 -0.04 2.15 2.03 2iwoA1 MET 1867 HB3 0.03 0.14 -0.09 -0.04 2.03 2.07 2iwoA1 MET 1867 HG2 0.03 0.05 0.01 -0.04 2.63 2.68 2iwoA1 MET 1867 HG3 0.03 -0.08 -0.46 -0.04 2.56 2.01 2iwoA1 MET 1867 HE3 0.02 0.04 -0.26 -0.04 2.10 1.86 2iwoA1 HIS 1868 H 0.13 0.40 0.10 -0.55 8.41 8.49 2iwoA1 HIS 1868 HA 0.00 0.14 0.60 -0.75 4.63 4.62 2iwoA1 HIS 1868 HB2 0.00 -0.01 0.09 -0.04 3.26 3.30 2iwoA1 HIS 1868 HB3 0.00 -0.09 0.18 -0.04 3.20 3.25 2iwoA1 HIS 1868 HD2 0.00 -0.08 -0.22 -0.04 6.97 6.63 2iwoA1 HIS 1868 HE1 0.00 0.04 -0.01 -0.04 7.75 7.74 2iwoA1 PRO 1869 HA -0.07 0.11 0.22 -0.51 4.44 4.19 2iwoA1 PRO 1869 HB2 -0.17 0.03 0.01 -0.04 2.28 2.11 2iwoA1 PRO 1869 HB3 -0.09 0.05 0.10 -0.04 2.02 2.04 2iwoA1 PRO 1869 HG2 -0.19 0.04 0.10 -0.04 2.03 1.93 2iwoA1 PRO 1869 HG3 -0.12 0.08 0.13 -0.04 2.03 2.07 2iwoA1 PRO 1869 HD2 -0.93 0.05 0.19 -0.04 3.68 2.95 2iwoA1 PRO 1869 HD3 -0.25 0.15 0.31 -0.04 3.65 3.81 2iwoA1 THR 1870 H -0.21 0.02 -0.25 -0.55 8.28 7.29 2iwoA1 THR 1870 HA 0.02 0.28 0.86 -0.75 4.39 4.79 2iwoA1 THR 1870 HB 0.06 0.04 0.14 -0.04 4.32 4.51 2iwoA1 THR 1870 HG23 -0.02 -0.00 -0.09 -0.04 1.22 1.07 2iwoA1 GLY 1871 H 0.19 0.27 -0.27 -0.55 8.43 8.06 2iwoA1 GLY 1871 HA2 0.09 0.14 0.36 -0.51 4.01 4.09 2iwoA1 GLY 1871 HA3 0.11 -0.04 0.25 -0.51 4.01 3.82 2iwoA1 VAL 1872 H 0.02 0.19 0.04 -0.55 8.24 7.94 2iwoA1 VAL 1872 HA 0.02 0.10 0.26 -0.75 4.13 3.76 2iwoA1 VAL 1872 HB 0.01 -0.01 0.24 -0.04 2.12 2.31 2iwoA1 VAL 1872 HG13 0.01 0.01 -0.09 -0.04 0.97 0.85 2iwoA1 VAL 1872 HG23 0.00 0.00 0.16 -0.04 0.95 1.07 2iwoA1 ALA 1873 H 0.02 0.46 0.00 -0.55 8.40 8.34 2iwoA1 ALA 1873 HA 0.02 0.03 0.34 -0.75 4.34 3.97 2iwoA1 ALA 1873 HB3 0.02 0.00 -0.06 -0.04 1.41 1.33 2iwoA1 ALA 1874 H 0.04 0.12 -0.33 -0.55 8.40 7.68 2iwoA1 ALA 1874 HA 0.02 0.00 0.38 -0.75 4.34 3.99 2iwoA1 ALA 1874 HB3 0.02 0.04 -0.05 -0.04 1.41 1.38 2iwoA1 GLN 1875 H 0.02 0.43 -0.28 -0.55 8.47 8.10 2iwoA1 GLN 1875 HA 0.01 0.03 0.36 -0.75 4.36 4.01 2iwoA1 GLN 1875 HB2 0.02 0.10 0.10 -0.04 2.15 2.32 2iwoA1 GLN 1875 HB3 0.01 -0.06 0.03 -0.04 2.02 1.97 2iwoA1 GLN 1875 HG2 0.02 -0.06 -0.01 -0.04 2.40 2.30 2iwoA1 GLN 1875 HG3 0.02 0.15 -0.12 -0.04 2.39 2.40 2iwoA1 GLN 1875 HE21 0.02 -0.10 -0.06 -0.04 6.97 6.79 2iwoA1 GLN 1875 HE22 0.04 0.43 -0.10 -0.04 7.69 8.02 2iwoA1 THR 1876 H 0.01 0.32 -0.37 -0.55 8.28 7.69 2iwoA1 THR 1876 HA 0.01 0.06 0.44 -0.75 4.39 4.14 2iwoA1 THR 1876 HB 0.01 -0.03 0.07 -0.04 4.32 4.32 2iwoA1 THR 1876 HG23 0.01 0.06 0.04 -0.04 1.22 1.29 2iwoA1 GLN 1877 H 0.01 0.42 -0.32 -0.55 8.47 8.04 2iwoA1 GLN 1877 HA 0.01 0.03 0.29 -0.75 4.36 3.94 2iwoA1 GLN 1877 HB2 0.01 0.15 0.03 -0.04 2.15 2.29 2iwoA1 GLN 1877 HB3 0.01 -0.09 0.21 -0.04 2.02 2.11 2iwoA1 GLN 1877 HG2 0.01 0.17 -0.12 -0.04 2.40 2.41 2iwoA1 GLN 1877 HG3 0.00 -0.06 -0.02 -0.04 2.39 2.27 2iwoA1 GLN 1877 HE21 0.00 -0.13 0.05 -0.04 6.97 6.85 2iwoA1 GLN 1877 HE22 0.01 0.61 0.16 -0.04 7.69 8.42 2iwoA1 LYS 1878 H 0.01 -0.03 -0.31 -0.55 8.42 7.53 2iwoA1 LYS 1878 HA 0.01 0.22 0.84 -0.75 4.32 4.64 2iwoA1 LYS 1878 HB2 0.01 -0.06 -0.16 -0.04 1.87 1.61 2iwoA1 LYS 1878 HB3 0.01 -0.05 0.03 -0.04 1.79 1.74 2iwoA1 LEU 1879 H 0.01 0.12 0.04 -0.55 8.37 8.00 2iwoA1 LEU 1879 HA 0.02 0.15 0.76 -0.75 4.35 4.53 2iwoA1 LEU 1879 HB2 0.02 0.05 -0.06 -0.04 1.64 1.60 2iwoA1 LEU 1879 HB3 0.02 -0.02 -0.09 -0.04 1.64 1.51 2iwoA1 LEU 1879 HG 0.01 -0.03 -0.29 -0.04 1.64 1.29 2iwoA1 LEU 1879 HD13 0.01 -0.00 -0.11 -0.04 0.93 0.79 2iwoA1 LEU 1879 HD23 0.02 0.03 -0.13 -0.04 0.89 0.77 2iwoA1 ARG 1880 H 0.03 0.20 0.06 -0.55 8.46 8.19 2iwoA1 ARG 1880 HA 0.02 0.18 0.76 -0.75 4.34 4.55 2iwoA1 ARG 1880 HB2 0.02 -0.09 -0.08 -0.04 1.90 1.71 2iwoA1 ARG 1880 HB3 0.02 0.12 -0.03 -0.04 1.80 1.86 2iwoA1 VAL 1881 H 0.03 0.16 0.03 -0.55 8.24 7.91 2iwoA1 VAL 1881 HA 0.06 0.06 0.52 -0.75 4.13 4.02 2iwoA1 VAL 1881 HB 0.03 -0.01 0.06 -0.04 2.12 2.16 2iwoA1 VAL 1881 HG13 0.06 0.03 -0.21 -0.04 0.97 0.81 2iwoA1 VAL 1881 HG23 0.03 -0.01 -0.17 -0.04 0.95 0.76 2iwoA1 GLY 1882 H 0.12 0.73 0.30 -0.55 8.43 9.04 2iwoA1 GLY 1882 HA2 0.07 0.04 0.33 -0.51 4.01 3.94 2iwoA1 GLY 1882 HA3 0.03 0.04 0.66 -0.51 4.01 4.23 2iwoA1 ASP 1883 H 0.06 0.50 -0.15 -0.55 8.40 8.26 2iwoA1 ASP 1883 HA 0.04 0.07 0.67 -0.75 4.63 4.65 2iwoA1 ASP 1883 HB2 0.05 -0.00 0.11 -0.04 2.71 2.83 2iwoA1 ASP 1883 HB3 0.04 0.04 -0.10 -0.04 2.70 2.64 2iwoA1 ARG 1884 H 0.04 0.65 0.34 -0.55 8.46 8.94 2iwoA1 ARG 1884 HA 0.13 0.22 0.92 -0.75 4.34 4.86 2iwoA1 ARG 1884 HB2 0.03 0.02 0.09 -0.04 1.90 1.99 2iwoA1 ARG 1884 HB3 0.05 -0.02 -0.05 -0.04 1.80 1.73 2iwoA1 ARG 1884 HG2 0.01 -0.04 -0.05 -0.04 1.67 1.54 2iwoA1 ARG 1884 HG3 0.11 0.14 -0.18 -0.04 1.67 1.70 2iwoA1 ARG 1884 HD2 0.06 0.01 -0.53 -0.04 3.22 2.71 2iwoA1 ARG 1884 HD3 -0.02 -0.00 -0.08 -0.04 3.22 3.08 2iwoA1 ILE 1885 H 0.08 0.72 0.18 -0.55 8.25 8.68 2iwoA1 ILE 1885 HA 0.03 0.13 0.73 -0.75 4.18 4.32 2iwoA1 ILE 1885 HB 0.04 -0.03 -0.00 -0.04 1.89 1.85 2iwoA1 ILE 1885 HG12 0.03 0.02 -0.23 -0.04 1.49 1.27 2iwoA1 ILE 1885 HG13 0.06 0.00 -0.27 -0.04 1.21 0.95 2iwoA1 ILE 1885 HG23 0.02 -0.01 -0.21 -0.04 0.93 0.68 2iwoA1 ILE 1885 HD13 0.01 -0.01 -0.21 -0.04 0.88 0.63 2iwoA1 VAL 1886 H 0.02 0.64 0.46 -0.55 8.24 8.81 2iwoA1 VAL 1886 HA 0.02 0.06 0.59 -0.75 4.13 4.05 2iwoA1 VAL 1886 HB 0.01 0.04 -0.03 -0.04 2.12 2.10 2iwoA1 VAL 1886 HG13 0.01 -0.01 -0.10 -0.04 0.97 0.83 2iwoA1 VAL 1886 HG23 0.02 0.02 -0.10 -0.04 0.95 0.84 2iwoA1 THR 1887 H 0.01 0.37 0.28 -0.55 8.28 8.39 2iwoA1 THR 1887 HA 0.01 0.24 0.72 -0.75 4.39 4.61 2iwoA1 THR 1887 HB 0.01 0.01 -0.24 -0.04 4.32 4.06 2iwoA1 THR 1887 HG23 0.01 -0.01 -0.34 -0.04 1.22 0.84 2iwoA1 ILE 1888 H 0.00 0.72 0.20 -0.55 8.25 8.62 2iwoA1 ILE 1888 HA 0.00 0.24 0.94 -0.75 4.18 4.60 2iwoA1 ILE 1888 HB -0.00 0.03 0.04 -0.04 1.89 1.91 2iwoA1 ILE 1888 HG12 -0.00 0.04 -0.05 -0.04 1.49 1.44 2iwoA1 ILE 1888 HG13 0.00 -0.11 -0.54 -0.04 1.21 0.53 2iwoA1 ILE 1888 HG23 -0.01 0.02 -0.13 -0.04 0.93 0.76 2iwoA1 ILE 1888 HD13 -0.01 0.01 -0.08 -0.04 0.88 0.76 2iwoA1 CYS 1889 H -0.00 0.75 0.26 -0.55 8.50 8.96 2iwoA1 CYS 1889 HA -0.00 -0.03 0.43 -0.75 4.58 4.22 2iwoA1 CYS 1889 HB2 -0.00 0.12 -0.13 -0.04 2.97 2.91 2iwoA1 CYS 1889 HB3 -0.00 0.02 0.25 -0.04 2.97 3.19 2iwoA1 GLY 1890 H 0.00 0.03 -0.42 -0.55 8.43 7.50 2iwoA1 GLY 1890 HA2 0.00 -0.03 0.14 -0.51 4.01 3.61 2iwoA1 GLY 1890 HA3 0.00 0.09 0.28 -0.51 4.01 3.87 2iwoA1 THR 1891 H 0.00 0.44 -0.26 -0.55 8.28 7.91 2iwoA1 THR 1891 HA 0.00 0.14 0.96 -0.75 4.39 4.73 2iwoA1 THR 1891 HB 0.00 -0.02 0.06 -0.04 4.32 4.31 2iwoA1 THR 1891 HG23 -0.00 0.06 -0.15 -0.04 1.22 1.08 2iwoA1 SER 1892 H 0.00 0.13 0.17 -0.55 8.46 8.22 2iwoA1 SER 1892 HA 0.01 0.18 0.57 -0.75 4.49 4.50 2iwoA1 SER 1892 HB2 0.01 0.02 0.16 -0.04 3.95 4.09 2iwoA1 SER 1892 HB3 0.01 0.04 0.14 -0.04 3.93 4.08 2iwoA1 THR 1893 H 0.01 0.61 0.27 -0.55 8.28 8.62 2iwoA1 THR 1893 HA 0.01 0.16 0.66 -0.75 4.39 4.46 2iwoA1 THR 1893 HB 0.02 -0.11 0.13 -0.04 4.32 4.32 2iwoA1 THR 1893 HG23 0.01 -0.01 -0.26 -0.04 1.22 0.93 2iwoA1 GLU 1894 H 0.01 0.07 -0.08 -0.55 8.60 8.06 2iwoA1 GLU 1894 HA 0.02 -0.01 0.54 -0.75 4.29 4.08 2iwoA1 GLU 1894 HB2 0.01 -0.02 0.09 -0.04 2.09 2.13 2iwoA1 GLU 1894 HB3 0.01 0.04 -0.06 -0.04 1.99 1.94 2iwoA1 GLU 1894 HG2 0.01 -0.00 0.09 -0.04 2.34 2.39 2iwoA1 GLU 1894 HG3 0.01 0.02 0.04 -0.04 2.34 2.37 2iwoA1 GLY 1895 H 0.02 0.11 0.20 -0.55 8.43 8.22 2iwoA1 GLY 1895 HA2 0.01 -0.04 0.33 -0.51 4.01 3.80 2iwoA1 GLY 1895 HA3 0.01 0.15 0.43 -0.51 4.01 4.09 2iwoA1 MET 1896 H 0.02 0.59 -0.33 -0.55 8.47 8.19 2iwoA1 MET 1896 HA 0.01 0.06 0.54 -0.75 4.52 4.38 2iwoA1 MET 1896 HB2 0.01 0.15 0.17 -0.04 2.15 2.44 2iwoA1 MET 1896 HB3 0.01 0.02 -0.07 -0.04 2.03 1.95 2iwoA1 MET 1896 HG2 -0.00 -0.06 -0.04 -0.04 2.63 2.50 2iwoA1 MET 1896 HG3 0.00 0.13 -0.05 -0.04 2.56 2.61 2iwoA1 MET 1896 HE3 -0.00 0.06 -0.11 -0.04 2.10 2.01 2iwoA1 THR 1897 H 0.01 0.11 0.22 -0.55 8.28 8.07 2iwoA1 THR 1897 HA 0.04 0.24 0.85 -0.75 4.39 4.77 2iwoA1 THR 1897 HB 0.04 0.02 0.18 -0.04 4.32 4.52 2iwoA1 THR 1897 HG23 0.02 0.06 0.06 -0.04 1.22 1.32 2iwoA1 HIS 1898 H 0.13 0.29 0.15 -0.55 8.41 8.43 2iwoA1 HIS 1898 HA -0.02 0.12 0.33 -0.75 4.63 4.30 2iwoA1 HIS 1898 HB2 -0.02 0.33 0.17 -0.04 3.26 3.71 2iwoA1 HIS 1898 HB3 -0.02 -0.08 0.14 -0.04 3.20 3.20 2iwoA1 HIS 1898 HD2 -0.08 0.02 -0.27 -0.04 6.97 6.60 2iwoA1 HIS 1898 HE1 -0.04 -0.01 0.00 -0.04 7.75 7.66 2iwoA1 THR 1899 H 0.04 0.11 -0.08 -0.55 8.28 7.80 2iwoA1 THR 1899 HA -0.12 0.08 0.34 -0.75 4.39 3.94 2iwoA1 THR 1899 HB -0.00 -0.03 0.07 -0.04 4.32 4.32 2iwoA1 THR 1899 HG23 -0.02 0.02 -0.08 -0.04 1.22 1.11 2iwoA1 GLN 1900 H -0.02 0.03 -0.26 -0.55 8.47 7.67 2iwoA1 GLN 1900 HA -0.03 0.07 0.41 -0.75 4.36 4.05 2iwoA1 GLN 1900 HB2 -0.01 0.01 0.13 -0.04 2.15 2.24 2iwoA1 GLN 1900 HB3 -0.01 0.08 -0.03 -0.04 2.02 2.01 2iwoA1 GLN 1900 HG2 -0.01 0.07 0.03 -0.04 2.40 2.45 2iwoA1 GLN 1900 HG3 -0.01 -0.08 0.05 -0.04 2.39 2.31 2iwoA1 GLN 1900 HE21 0.00 0.06 0.03 -0.04 6.97 7.03 2iwoA1 GLN 1900 HE22 -0.00 0.01 0.02 -0.04 7.69 7.67 2iwoA1 ALA 1901 H -0.05 0.51 -0.17 -0.55 8.40 8.14 2iwoA1 ALA 1901 HA -0.04 0.06 0.50 -0.75 4.34 4.10 2iwoA1 ALA 1901 HB3 -0.05 0.03 0.02 -0.04 1.41 1.37 2iwoA1 VAL 1902 H -0.20 0.61 -0.07 -0.55 8.24 8.04 2iwoA1 VAL 1902 HA -0.12 0.01 0.45 -0.75 4.13 3.71 2iwoA1 VAL 1902 HB -0.21 0.05 0.14 -0.04 2.12 2.05 2iwoA1 VAL 1902 HG13 -0.10 -0.01 -0.12 -0.04 0.97 0.70 2iwoA1 VAL 1902 HG23 -0.50 0.04 0.02 -0.04 0.95 0.46 2iwoA1 ASN 1903 H -0.08 0.60 -0.10 -0.55 8.53 8.41 2iwoA1 ASN 1903 HA -0.04 0.01 0.36 -0.75 4.76 4.33 2iwoA1 ASN 1903 HB2 -0.04 0.07 0.13 -0.04 2.88 3.00 2iwoA1 ASN 1903 HB3 -0.03 -0.02 -0.01 -0.04 2.79 2.69 2iwoA1 ASN 1903 HD21 -0.02 -0.05 -0.04 -0.04 7.03 6.88 2iwoA1 ASN 1903 HD22 -0.02 -0.02 -0.06 -0.04 7.74 7.60 2iwoA1 LEU 1904 H -0.04 0.47 -0.25 -0.55 8.37 8.00 2iwoA1 LEU 1904 HA -0.02 0.03 0.49 -0.75 4.35 4.10 2iwoA1 LEU 1904 HB2 -0.02 0.11 0.15 -0.04 1.64 1.83 2iwoA1 LEU 1904 HB3 -0.03 0.07 0.14 -0.04 1.64 1.79 2iwoA1 LEU 1904 HG -0.01 -0.04 -0.12 -0.04 1.64 1.43 2iwoA1 LEU 1904 HD13 -0.01 -0.00 0.02 -0.04 0.93 0.89 2iwoA1 LEU 1904 HD23 -0.01 0.00 -0.06 -0.04 0.89 0.78 2iwoA1 LEU 1905 H -0.04 0.48 -0.13 -0.55 8.37 8.12 2iwoA1 LEU 1905 HA -0.02 0.02 0.32 -0.75 4.35 3.92 2iwoA1 LEU 1905 HB2 -0.04 0.08 0.15 -0.04 1.64 1.78 2iwoA1 LEU 1905 HB3 -0.03 -0.08 -0.00 -0.04 1.64 1.49 2iwoA1 LEU 1905 HG -0.03 0.08 0.03 -0.04 1.64 1.68 2iwoA1 LEU 1905 HD13 -0.03 -0.03 -0.09 -0.04 0.93 0.74 2iwoA1 LEU 1905 HD23 -0.01 -0.02 -0.06 -0.04 0.89 0.76 2iwoA1 LYS 1906 H -0.04 0.61 -0.07 -0.55 8.42 8.37 2iwoA1 LYS 1906 HA -0.03 -0.00 0.49 -0.75 4.32 4.03 2iwoA1 LYS 1906 HB2 -0.03 0.06 0.12 -0.04 1.87 1.97 2iwoA1 LYS 1906 HB3 -0.03 -0.04 -0.01 -0.04 1.79 1.68 2iwoA1 LYS 1906 HG2 -0.03 -0.06 0.05 -0.04 1.46 1.38 2iwoA1 LYS 1906 HG3 -0.04 0.10 0.07 -0.04 1.46 1.54 2iwoA1 LYS 1906 HD2 -0.04 -0.02 -0.06 -0.04 1.69 1.52 2iwoA1 LYS 1906 HD3 -0.03 0.00 -0.00 -0.04 1.68 1.61 2iwoA1 LYS 1906 HE2 -0.03 -0.02 0.02 -0.04 2.99 2.92 2iwoA1 LYS 1906 HE3 -0.04 -0.04 -0.00 -0.04 2.99 2.87 2iwoA1 ASN 1907 H -0.02 0.36 -0.30 -0.55 8.53 8.02 2iwoA1 ASN 1907 HA -0.02 0.00 0.47 -0.75 4.76 4.46 2iwoA1 ASN 1907 HB2 -0.02 -0.01 0.11 -0.04 2.88 2.93 2iwoA1 ASN 1907 HB3 -0.02 0.07 0.13 -0.04 2.79 2.93 2iwoA1 ASN 1907 HD21 -0.01 -0.07 -0.04 -0.04 7.03 6.87 2iwoA1 ASN 1907 HD22 -0.01 0.04 -0.09 -0.04 7.74 7.64 2iwoA1 ALA 1908 H -0.02 0.26 -0.25 -0.55 8.40 7.85 2iwoA1 ALA 1908 HA -0.01 -0.05 0.31 -0.75 4.34 3.84 2iwoA1 ALA 1908 HB3 -0.01 0.02 0.05 -0.04 1.41 1.43 2iwoA1 SER 1909 H -0.01 0.15 0.17 -0.55 8.46 8.23 2iwoA1 SER 1909 HA -0.01 0.11 0.27 -0.75 4.49 4.11 2iwoA1 SER 1909 HB2 -0.01 -0.03 0.19 -0.04 3.95 4.06 2iwoA1 SER 1909 HB3 -0.01 0.14 -0.15 -0.04 3.93 3.88 2iwoA1 GLY 1910 H -0.01 0.10 0.14 -0.55 8.43 8.12 2iwoA1 GLY 1910 HA2 -0.00 0.01 0.36 -0.51 4.01 3.86 2iwoA1 GLY 1910 HA3 -0.00 0.05 0.49 -0.51 4.01 4.04 2iwoA1 SER 1911 H -0.00 0.09 0.19 -0.55 8.46 8.19 2iwoA1 SER 1911 HA -0.00 0.23 0.65 -0.75 4.49 4.61 2iwoA1 SER 1911 HB2 -0.00 -0.02 0.11 -0.04 3.95 4.00 2iwoA1 SER 1911 HB3 -0.00 -0.01 -0.07 -0.04 3.93 3.80 2iwoA1 ILE 1912 H -0.00 0.76 0.30 -0.55 8.25 8.76 2iwoA1 ILE 1912 HA -0.00 0.09 0.80 -0.75 4.18 4.32 2iwoA1 ILE 1912 HB -0.00 -0.01 0.11 -0.04 1.89 1.94 2iwoA1 ILE 1912 HG12 -0.01 0.02 -0.24 -0.04 1.49 1.23 2iwoA1 ILE 1912 HG13 -0.00 0.10 -0.45 -0.04 1.21 0.82 2iwoA1 ILE 1912 HG23 -0.00 -0.01 -0.14 -0.04 0.93 0.73 2iwoA1 ILE 1912 HD13 -0.01 0.01 -0.24 -0.04 0.88 0.59 2iwoA1 GLU 1913 H -0.00 0.15 0.18 -0.55 8.60 8.38 2iwoA1 GLU 1913 HA 0.00 0.37 0.93 -0.75 4.29 4.84 2iwoA1 GLU 1913 HB2 0.00 0.05 0.05 -0.04 2.09 2.15 2iwoA1 GLU 1913 HB3 0.00 -0.15 0.12 -0.04 1.99 1.92 2iwoA1 GLU 1913 HG2 0.00 0.14 -0.12 -0.04 2.34 2.33 2iwoA1 GLU 1913 HG3 0.00 0.03 -0.09 -0.04 2.34 2.25 2iwoA1 MET 1914 H 0.00 0.70 0.38 -0.55 8.47 9.01 2iwoA1 MET 1914 HA 0.01 0.26 0.76 -0.75 4.52 4.79 2iwoA1 MET 1914 HB2 0.00 0.01 -0.15 -0.04 2.15 1.96 2iwoA1 MET 1914 HB3 0.01 -0.03 0.04 -0.04 2.03 2.01 2iwoA1 MET 1914 HG2 0.01 -0.03 -0.21 -0.04 2.63 2.36 2iwoA1 MET 1914 HG3 0.01 0.12 0.10 -0.04 2.56 2.75 2iwoA1 MET 1914 HE3 0.00 0.00 -0.10 -0.04 2.10 1.96 2iwoA1 GLN 1915 H 0.01 0.39 0.30 -0.55 8.47 8.63 2iwoA1 GLN 1915 HA 0.01 0.40 1.03 -0.75 4.36 5.05 2iwoA1 GLN 1915 HB2 0.01 -0.17 0.10 -0.04 2.15 2.04 2iwoA1 GLN 1915 HB3 0.01 0.10 -0.00 -0.04 2.02 2.09 2iwoA1 GLN 1915 HG2 0.01 0.07 0.04 -0.04 2.40 2.47 2iwoA1 GLN 1915 HG3 0.01 -0.13 -0.31 -0.04 2.39 1.92 2iwoA1 GLN 1915 HE21 0.00 0.01 -0.09 -0.04 6.97 6.85 2iwoA1 GLN 1915 HE22 0.01 0.04 -0.10 -0.04 7.69 7.59 2iwoA1 VAL 1916 H 0.01 0.72 0.38 -0.55 8.24 8.80 2iwoA1 VAL 1916 HA 0.02 0.15 1.15 -0.75 4.13 4.70 2iwoA1 VAL 1916 HB 0.03 0.09 0.02 -0.04 2.12 2.22 2iwoA1 VAL 1916 HG13 0.02 -0.04 -0.34 -0.04 0.97 0.58 2iwoA1 VAL 1916 HG23 0.02 -0.00 -0.10 -0.04 0.95 0.83 2iwoA1 VAL 1917 H 0.02 0.58 0.37 -0.55 8.24 8.67 2iwoA1 VAL 1917 HA 0.01 0.18 0.75 -0.75 4.13 4.32 2iwoA1 VAL 1917 HB 0.01 0.09 0.13 -0.04 2.12 2.30 2iwoA1 VAL 1917 HG13 0.01 0.01 -0.04 -0.04 0.97 0.91 2iwoA1 VAL 1917 HG23 0.01 -0.00 0.00 -0.04 0.95 0.92 2iwoA1 ALA 1918 H 0.01 0.20 0.13 -0.55 8.40 8.19 2iwoA1 ALA 1918 HA 0.01 0.03 0.56 -0.75 4.34 4.18 2iwoA1 ALA 1918 HB3 0.00 0.01 0.06 -0.04 1.41 1.45 2iwoA1 GLY 1919 H 0.00 0.15 0.05 -0.55 8.43 8.08 2iwoA1 GLY 1919 HA2 -0.03 0.12 0.49 -0.51 4.01 4.08 2iwoA1 GLY 1919 HA3 -0.03 0.09 0.35 -0.51 4.01 3.91 2iwoA1 GLY 1920 H -0.01 0.06 -0.11 -0.55 8.43 7.82 2iwoA1 GLY 1920 HA2 -0.01 0.04 0.22 -0.51 4.01 3.75 2iwoA1 GLY 1920 HA3 -0.01 0.15 0.09 -0.51 4.01 3.72 2iwoA1 ASP 1921 H -0.02 -0.03 -0.37 -0.55 8.40 7.43 2iwoA1 ASP 1921 HA -0.03 0.07 0.28 -0.75 4.63 4.20 2iwoA1 ASP 1921 HB2 -0.01 0.05 -0.27 -0.04 2.71 2.43 2iwoA1 ASP 1921 HB3 -0.02 0.05 0.32 -0.04 2.70 3.02 2iwoA1 VAL 1922 H -0.03 0.26 -0.18 -0.55 8.24 7.74 2iwoA1 VAL 1922 HA -0.02 0.14 0.45 -0.75 4.13 3.94 2iwoA1 VAL 1922 HB -0.04 0.02 0.19 -0.04 2.12 2.25 2iwoA1 VAL 1922 HG13 -0.02 -0.01 -0.10 -0.04 0.97 0.79 2iwoA1 VAL 1922 HG23 -0.02 -0.00 -0.01 -0.04 0.95 0.88 2iwoA1 SER 1923 H -0.06 0.05 0.05 -0.55 8.46 7.95 2iwoA1 SER 1923 HA -0.04 0.23 0.65 -0.75 4.49 4.58 2iwoA1 SER 1923 HB2 -0.08 0.01 0.12 -0.04 3.95 3.95 2iwoA1 SER 1923 HB3 -0.06 0.01 0.01 -0.04 3.93 3.85 2iwoA1 GLU 1924 H -0.05 0.21 -0.31 -0.55 8.60 7.90 2iwoA1 GLU 1924 HA -0.04 0.13 0.37 -0.75 4.29 3.99 2iwoA1 GLU 1924 HB2 -0.04 -0.00 0.04 -0.04 2.09 2.05 2iwoA1 GLU 1924 HB3 -0.08 0.12 -0.11 -0.04 1.99 1.88 2iwoA1 GLU 1924 HG2 -0.05 -0.05 -0.39 -0.04 2.34 1.82 2iwoA1 GLU 1924 HG3 -0.06 0.04 -0.17 -0.04 2.34 2.11 2iwoA1 THR 1925 H -0.02 0.23 0.07 -0.55 8.28 8.01 2iwoA1 THR 1925 HA -0.02 0.18 0.97 -0.75 4.39 4.77 2iwoA1 THR 1925 HB -0.01 -0.04 -0.01 -0.04 4.32 4.22 2iwoA1 THR 1925 HG23 -0.01 0.03 -0.20 -0.04 1.22 0.99 2iwoA1 SER 1926 H -0.01 0.15 0.10 -0.55 8.46 8.16 2iwoA1 SER 1926 HA -0.00 0.06 0.47 -0.75 4.49 4.26 2iwoA1 SER 1926 HB2 -0.00 -0.00 0.13 -0.04 3.95 4.03 2iwoA1 SER 1926 HB3 -0.00 0.07 -0.00 -0.04 3.93 3.96 2iwoA1 VAL 1927 H -0.00 0.19 0.11 -0.55 8.24 7.99 2iwoA1 VAL 1927 HA -0.00 0.23 0.58 -0.75 4.13 4.18 2iwoA1 VAL 1927 HB -0.00 0.01 0.06 -0.04 2.12 2.14 2iwoA1 VAL 1927 HG13 -0.00 0.04 -0.26 -0.04 0.97 0.70 2iwoA1 VAL 1927 HG23 -0.00 0.01 0.05 -0.04 0.95 0.97