============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 9 rings ring int. center anis. iso. HIS 5 0.900 -10.218 23.486 -4.099 -99.200 -91.000 TYR 9 0.840 -16.194 10.189 -1.447 -99.200 -91.000 HIS 15 0.900 -19.399 4.187 11.187 -99.200 -91.000 PHE 24 1.000 -9.975 7.593 4.961 -99.200 -91.000 TYR 62 0.840 -8.795 4.297 10.558 -99.200 -91.000 TYR 70 0.840 -7.718 5.056 16.785 -99.200 -91.000 TYR 76 0.840 -4.237 17.998 -3.881 -99.200 -91.000 HIS 80 0.900 -6.206 20.160 8.060 -99.200 -91.000 PHE 86 1.000 -12.519 14.194 7.204 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2bp3A1 MET -1 HA -0.01 -0.07 0.26 -0.75 4.52 3.95 2bp3A1 VAL 1863 H 0.00 0.17 0.16 -0.55 8.24 8.02 2bp3A1 VAL 1863 HA 0.00 0.17 0.84 -0.75 4.13 4.39 2bp3A1 ASN 1864 H -0.04 0.27 0.09 -0.55 8.53 8.30 2bp3A1 ASN 1864 HA -0.17 0.04 0.40 -0.75 4.76 4.27 2bp3A1 HIS 1867 HA 0.02 -0.18 0.26 -0.75 4.63 3.97 2bp3A1 HIS 1867 HB2 0.02 0.01 -0.05 -0.04 3.26 3.20 2bp3A1 HIS 1867 HB3 0.03 0.07 -0.20 -0.04 3.20 3.05 2bp3A1 HIS 1867 HD2 0.03 0.00 0.06 -0.04 6.97 7.02 2bp3A1 HIS 1867 HE1 0.04 -0.02 0.06 -0.04 7.75 7.80 2bp3A1 VAL 1868 H -0.19 -0.01 0.07 -0.55 8.24 7.56 2bp3A1 VAL 1868 HA -0.13 0.26 0.69 -0.75 4.13 4.20 2bp3A1 VAL 1868 HB -0.32 -0.07 0.03 -0.04 2.12 1.73 2bp3A1 VAL 1868 HG13 -0.06 -0.01 -0.24 -0.04 0.97 0.62 2bp3A1 VAL 1868 HG23 -0.78 -0.02 -0.06 -0.04 0.95 0.04 2bp3A1 THR 1869 H 0.01 0.44 0.31 -0.55 8.28 8.49 2bp3A1 THR 1869 HA 0.10 0.23 0.80 -0.75 4.39 4.76 2bp3A1 THR 1869 HB 0.20 -0.01 0.08 -0.04 4.32 4.54 2bp3A1 THR 1869 HG23 0.09 0.05 -0.19 -0.04 1.22 1.13 2bp3A1 ALA 1870 H 0.14 0.35 0.18 -0.55 8.40 8.52 2bp3A1 ALA 1870 HA -0.20 0.29 1.15 -0.75 4.34 4.82 2bp3A1 ALA 1870 HB3 -0.06 -0.00 -0.06 -0.04 1.41 1.25 2bp3A1 TYR 1871 H -0.50 0.55 0.39 -0.55 8.29 8.18 2bp3A1 TYR 1871 HA -0.15 0.18 0.65 -0.75 4.56 4.49 2bp3A1 TYR 1871 HB2 -0.02 -0.05 0.09 -0.04 3.06 3.03 2bp3A1 TYR 1871 HB3 -0.03 0.13 0.05 -0.04 2.98 3.10 2bp3A1 TYR 1871 HD2 0.01 0.03 -0.28 -0.04 7.15 6.87 2bp3A1 TYR 1871 HE2 0.01 0.01 -0.10 -0.04 6.85 6.73 2bp3A1 GLY 1872 H 0.06 0.20 0.17 -0.55 8.43 8.31 2bp3A1 GLY 1872 HA2 0.08 0.06 0.42 -0.51 4.01 4.05 2bp3A1 GLY 1872 HA3 0.09 0.08 0.98 -0.51 4.01 4.65 2bp3A1 PRO 1873 HA -0.21 0.05 0.47 -0.51 4.44 4.24 2bp3A1 PRO 1873 HB2 -0.19 0.10 0.12 -0.04 2.28 2.26 2bp3A1 PRO 1873 HB3 -0.01 0.01 0.18 -0.04 2.02 2.16 2bp3A1 PRO 1873 HG2 -0.04 0.07 0.30 -0.04 2.03 2.32 2bp3A1 PRO 1873 HG3 -0.00 0.03 0.16 -0.04 2.03 2.17 2bp3A1 PRO 1873 HD2 0.02 0.13 0.29 -0.04 3.68 4.09 2bp3A1 PRO 1873 HD3 0.02 0.09 0.24 -0.04 3.65 3.95 2bp3A1 GLY 1874 H -0.02 0.74 0.13 -0.55 8.43 8.73 2bp3A1 GLY 1874 HA2 -0.06 0.23 0.32 -0.51 4.01 3.99 2bp3A1 GLY 1874 HA3 0.14 -0.03 -0.00 -0.51 4.01 3.60 2bp3A1 LEU 1875 H -0.12 0.32 -0.74 -0.55 8.37 7.30 2bp3A1 LEU 1875 HA -0.29 0.05 0.48 -0.75 4.35 3.84 2bp3A1 LEU 1875 HB2 -0.32 0.23 0.02 -0.04 1.64 1.53 2bp3A1 LEU 1875 HB3 -0.40 0.01 -0.08 -0.04 1.64 1.12 2bp3A1 LEU 1875 HG -1.79 0.02 -0.08 -0.04 1.64 -0.26 2bp3A1 LEU 1875 HD13 -1.43 -0.02 -0.22 -0.04 0.93 -0.78 2bp3A1 LEU 1875 HD23 -0.61 -0.02 -0.32 -0.04 0.89 -0.10 2bp3A1 THR 1876 H -0.15 0.56 0.07 -0.55 8.28 8.21 2bp3A1 THR 1876 HA 0.04 0.32 1.01 -0.75 4.39 5.00 2bp3A1 THR 1876 HB 0.01 -0.03 -0.04 -0.04 4.32 4.21 2bp3A1 THR 1876 HG23 -0.02 0.01 0.13 -0.04 1.22 1.30 2bp3A1 HIS 1877 H -0.30 0.54 0.29 -0.55 8.41 8.39 2bp3A1 HIS 1877 HA 0.05 0.22 0.76 -0.75 4.63 4.91 2bp3A1 HIS 1877 HB2 0.02 0.04 0.17 -0.04 3.26 3.46 2bp3A1 HIS 1877 HB3 0.03 0.03 -0.05 -0.04 3.20 3.17 2bp3A1 HIS 1877 HD2 -0.00 0.02 -0.27 -0.04 6.97 6.67 2bp3A1 HIS 1877 HE1 0.01 -0.03 0.04 -0.04 7.75 7.72 2bp3A1 GLY 1878 H 0.13 0.52 0.36 -0.55 8.43 8.90 2bp3A1 GLY 1878 HA2 0.03 0.05 0.42 -0.51 4.01 4.00 2bp3A1 GLY 1878 HA3 -0.04 0.06 0.34 -0.51 4.01 3.86 2bp3A1 VAL 1879 H -0.04 0.28 0.14 -0.55 8.24 8.08 2bp3A1 VAL 1879 HA 0.02 0.24 0.79 -0.75 4.13 4.42 2bp3A1 VAL 1879 HB 0.00 0.14 0.07 -0.04 2.12 2.30 2bp3A1 VAL 1879 HG13 0.02 -0.03 -0.13 -0.04 0.97 0.78 2bp3A1 VAL 1879 HG23 -0.01 0.00 -0.10 -0.04 0.95 0.79 2bp3A1 VAL 1880 H 0.01 0.59 0.19 -0.55 8.24 8.49 2bp3A1 VAL 1880 HA -0.01 0.07 0.19 -0.75 4.13 3.64 2bp3A1 VAL 1880 HB 0.04 0.00 -0.18 -0.04 2.12 1.94 2bp3A1 VAL 1880 HG13 0.02 0.03 0.00 -0.04 0.97 0.98 2bp3A1 VAL 1880 HG23 0.04 -0.04 -0.43 -0.04 0.95 0.49 2bp3A1 ASN 1881 H -0.01 0.74 0.26 -0.55 8.53 8.96 2bp3A1 ASN 1881 HA -0.01 -0.04 0.25 -0.75 4.76 4.20 2bp3A1 ASN 1881 HB2 -0.00 0.19 -0.07 -0.04 2.88 2.96 2bp3A1 ASN 1881 HB3 -0.00 -0.09 0.14 -0.04 2.79 2.80 2bp3A1 ASN 1881 HD21 0.02 0.02 -0.03 -0.04 7.03 6.99 2bp3A1 ASN 1881 HD22 0.01 0.06 -0.17 -0.04 7.74 7.60 2bp3A1 LYS 1882 H -0.05 0.49 -0.43 -0.55 8.42 7.88 2bp3A1 LYS 1882 HA -0.04 0.14 0.88 -0.75 4.32 4.54 2bp3A1 LYS 1882 HB2 -0.04 0.02 0.00 -0.04 1.87 1.81 2bp3A1 LYS 1882 HB3 -0.04 -0.01 0.01 -0.04 1.79 1.71 2bp3A1 LYS 1882 HG2 -0.02 -0.00 -0.03 -0.04 1.46 1.36 2bp3A1 LYS 1882 HG3 -0.02 0.10 -0.22 -0.04 1.46 1.27 2bp3A1 LYS 1882 HD2 -0.01 -0.00 -0.05 -0.04 1.69 1.58 2bp3A1 LYS 1882 HD3 -0.02 -0.04 -0.02 -0.04 1.68 1.56 2bp3A1 LYS 1882 HE2 -0.01 -0.02 -0.03 -0.04 2.99 2.89 2bp3A1 LYS 1882 HE3 -0.01 0.04 -0.05 -0.04 2.99 2.93 2bp3A1 PRO 1883 HA -0.17 0.20 0.39 -0.51 4.44 4.35 2bp3A1 PRO 1883 HB2 -0.11 -0.02 -0.09 -0.04 2.28 2.02 2bp3A1 PRO 1883 HB3 -0.08 -0.00 -0.03 -0.04 2.02 1.86 2bp3A1 PRO 1883 HG2 -0.07 -0.00 0.08 -0.04 2.03 2.00 2bp3A1 PRO 1883 HG3 -0.05 0.00 0.03 -0.04 2.03 1.97 2bp3A1 PRO 1883 HD2 -0.05 0.08 0.21 -0.04 3.68 3.87 2bp3A1 PRO 1883 HD3 -0.05 0.14 0.11 -0.04 3.65 3.81 2bp3A1 ALA 1884 H -0.47 0.66 0.43 -0.55 8.40 8.47 2bp3A1 ALA 1884 HA -0.22 0.10 0.96 -0.75 4.34 4.43 2bp3A1 ALA 1884 HB3 -0.76 0.01 0.16 -0.04 1.41 0.78 2bp3A1 THR 1885 H -0.11 0.14 0.24 -0.55 8.28 8.01 2bp3A1 THR 1885 HA -0.16 0.43 1.22 -0.75 4.39 5.13 2bp3A1 THR 1885 HB -0.11 0.03 0.00 -0.04 4.32 4.20 2bp3A1 THR 1885 HG23 -0.11 0.01 -0.26 -0.04 1.22 0.82 2bp3A1 PHE 1886 H -0.42 0.79 0.44 -0.55 8.34 8.60 2bp3A1 PHE 1886 HA -0.09 0.00 0.56 -0.75 4.62 4.34 2bp3A1 PHE 1886 HB2 -0.16 0.16 -0.08 -0.04 3.15 3.02 2bp3A1 PHE 1886 HB3 -0.10 -0.08 -0.25 -0.04 3.06 2.59 2bp3A1 PHE 1886 HD2 -0.04 0.05 -0.45 -0.04 7.28 6.80 2bp3A1 PHE 1886 HE2 0.05 0.00 -0.26 -0.04 7.38 7.13 2bp3A1 PHE 1886 HZ 0.01 -0.02 -0.22 -0.04 7.32 7.06 2bp3A1 THR 1887 H -0.01 0.94 0.51 -0.55 8.28 9.17 2bp3A1 THR 1887 HA -0.16 0.28 1.08 -0.75 4.39 4.83 2bp3A1 THR 1887 HB -0.69 -0.02 0.10 -0.04 4.32 3.67 2bp3A1 THR 1887 HG23 -0.11 -0.01 -0.08 -0.04 1.22 0.97 2bp3A1 VAL 1888 H -0.13 0.58 0.37 -0.55 8.24 8.52 2bp3A1 VAL 1888 HA -0.10 0.34 1.05 -0.75 4.13 4.66 2bp3A1 VAL 1888 HB -0.03 -0.12 0.15 -0.04 2.12 2.09 2bp3A1 VAL 1888 HG13 0.01 0.01 -0.21 -0.04 0.97 0.73 2bp3A1 VAL 1888 HG23 0.14 0.01 -0.20 -0.04 0.95 0.85 2bp3A1 ASN 1889 H -0.11 0.79 0.28 -0.55 8.53 8.94 2bp3A1 ASN 1889 HA -0.01 0.06 0.80 -0.75 4.76 4.86 2bp3A1 ASN 1889 HB2 0.12 -0.04 0.03 -0.04 2.88 2.94 2bp3A1 ASN 1889 HB3 0.13 0.04 0.22 -0.04 2.79 3.13 2bp3A1 ASN 1889 HD21 0.10 0.02 -0.01 -0.04 7.03 7.11 2bp3A1 ASN 1889 HD22 0.29 -0.02 -0.02 -0.04 7.74 7.96 2bp3A1 THR 1890 H -0.02 0.63 0.36 -0.55 8.28 8.70 2bp3A1 THR 1890 HA -0.10 0.25 0.95 -0.75 4.39 4.73 2bp3A1 THR 1890 HB -0.07 -0.02 0.11 -0.04 4.32 4.30 2bp3A1 THR 1890 HG23 -0.06 0.00 -0.19 -0.04 1.22 0.93 2bp3A1 LYS 1891 H 0.01 0.05 -0.16 -0.55 8.42 7.77 2bp3A1 LYS 1891 HA 0.01 -0.03 0.55 -0.75 4.32 4.09 2bp3A1 LYS 1891 HB2 0.03 0.02 0.10 -0.04 1.87 1.98 2bp3A1 LYS 1891 HB3 0.02 0.01 0.01 -0.04 1.79 1.78 2bp3A1 LYS 1891 HG2 0.02 0.03 0.09 -0.04 1.46 1.56 2bp3A1 LYS 1891 HG3 0.03 -0.03 0.06 -0.04 1.46 1.47 2bp3A1 LYS 1891 HD2 0.03 0.00 0.01 -0.04 1.69 1.69 2bp3A1 LYS 1891 HD3 0.02 -0.01 0.02 -0.04 1.68 1.66 2bp3A1 LYS 1891 HE2 0.03 0.02 0.01 -0.04 2.99 3.01 2bp3A1 LYS 1891 HE3 0.04 -0.04 -0.05 -0.04 2.99 2.91 2bp3A1 ASP 1892 H 0.01 0.06 0.23 -0.55 8.40 8.15 2bp3A1 ASP 1892 HA 0.01 0.04 0.38 -0.75 4.63 4.31 2bp3A1 ASP 1892 HB2 0.02 0.04 -0.19 -0.04 2.71 2.54 2bp3A1 ASP 1892 HB3 0.02 0.02 0.21 -0.04 2.70 2.92 2bp3A1 ALA 1893 H -0.02 0.22 -0.35 -0.55 8.40 7.71 2bp3A1 ALA 1893 HA -0.03 0.27 0.56 -0.75 4.34 4.39 2bp3A1 ALA 1893 HB3 -0.22 -0.03 -0.10 -0.04 1.41 1.01 2bp3A1 GLY 1894 H 0.16 0.09 -0.02 -0.55 8.43 8.11 2bp3A1 GLY 1894 HA2 0.06 0.06 0.35 -0.51 4.01 3.97 2bp3A1 GLY 1894 HA3 0.09 0.01 0.38 -0.51 4.01 3.98 2bp3A1 GLU 1895 H 0.04 0.17 0.19 -0.55 8.60 8.46 2bp3A1 GLU 1895 HA 0.10 0.17 0.22 -0.75 4.29 4.03 2bp3A1 GLU 1895 HB2 0.03 0.00 0.15 -0.04 2.09 2.23 2bp3A1 GLU 1895 HB3 0.03 0.03 0.11 -0.04 1.99 2.12 2bp3A1 GLU 1895 HG2 -0.00 -0.03 -0.00 -0.04 2.34 2.27 2bp3A1 GLU 1895 HG3 -0.01 -0.01 -0.22 -0.04 2.34 2.06 2bp3A1 GLY 1896 H 0.05 0.29 0.09 -0.55 8.43 8.31 2bp3A1 GLY 1896 HA2 -0.16 0.05 0.32 -0.51 4.01 3.71 2bp3A1 GLY 1896 HA3 -0.47 0.12 0.39 -0.51 4.01 3.53 2bp3A1 GLY 1897 H -0.26 0.13 0.16 -0.55 8.43 7.91 2bp3A1 GLY 1897 HA2 -0.03 0.13 0.64 -0.51 4.01 4.24 2bp3A1 GLY 1897 HA3 -0.08 0.02 0.32 -0.51 4.01 3.76 2bp3A1 LEU 1898 H 0.06 0.21 0.17 -0.55 8.37 8.26 2bp3A1 LEU 1898 HA 0.17 0.33 1.06 -0.75 4.35 5.16 2bp3A1 LEU 1898 HB2 0.23 0.00 -0.04 -0.04 1.64 1.79 2bp3A1 LEU 1898 HB3 0.10 -0.04 0.14 -0.04 1.64 1.79 2bp3A1 LEU 1898 HG 0.09 -0.02 -0.30 -0.04 1.64 1.37 2bp3A1 LEU 1898 HD13 0.12 0.05 -0.15 -0.04 0.93 0.92 2bp3A1 LEU 1898 HD23 0.05 -0.01 -0.12 -0.04 0.89 0.77 2bp3A1 SER 1899 H 0.06 0.59 0.23 -0.55 8.46 8.78 2bp3A1 SER 1899 HA 0.03 0.13 0.89 -0.75 4.49 4.79 2bp3A1 SER 1899 HB2 0.00 -0.04 0.07 -0.04 3.95 3.94 2bp3A1 SER 1899 HB3 0.02 0.04 -0.19 -0.04 3.93 3.76 2bp3A1 LEU 1900 H 0.05 0.22 0.11 -0.55 8.37 8.20 2bp3A1 LEU 1900 HA 0.10 0.32 0.92 -0.75 4.35 4.93 2bp3A1 LEU 1900 HB2 0.07 -0.04 0.05 -0.04 1.64 1.68 2bp3A1 LEU 1900 HB3 0.12 0.04 -0.06 -0.04 1.64 1.70 2bp3A1 LEU 1900 HG 0.09 -0.08 -0.46 -0.04 1.64 1.15 2bp3A1 LEU 1900 HD13 0.04 -0.01 -0.15 -0.04 0.93 0.78 2bp3A1 LEU 1900 HD23 0.21 0.02 -0.11 -0.04 0.89 0.97 2bp3A1 ALA 1901 H 0.07 0.67 0.28 -0.55 8.40 8.88 2bp3A1 ALA 1901 HA 0.04 0.15 0.60 -0.75 4.34 4.38 2bp3A1 ALA 1901 HB3 0.03 0.00 -0.01 -0.04 1.41 1.39 2bp3A1 ILE 1902 H 0.02 0.26 0.15 -0.55 8.25 8.14 2bp3A1 ILE 1902 HA -0.02 0.37 1.02 -0.75 4.18 4.80 2bp3A1 ILE 1902 HB 0.00 -0.04 0.01 -0.04 1.89 1.82 2bp3A1 ILE 1902 HG12 -0.01 -0.17 -0.67 -0.04 1.49 0.61 2bp3A1 ILE 1902 HG13 -0.03 0.02 -0.18 -0.04 1.21 0.99 2bp3A1 ILE 1902 HG23 -0.18 0.01 -0.20 -0.04 0.93 0.52 2bp3A1 ILE 1902 HD13 -0.38 0.00 -0.19 -0.04 0.88 0.28 2bp3A1 GLU 1903 H 0.01 0.75 0.32 -0.55 8.60 9.13 2bp3A1 GLU 1903 HA 0.00 0.15 0.96 -0.75 4.29 4.64 2bp3A1 GLU 1903 HB2 -0.01 -0.02 0.13 -0.04 2.09 2.15 2bp3A1 GLU 1903 HB3 -0.03 0.02 0.06 -0.04 1.99 2.00 2bp3A1 GLU 1903 HG2 -0.00 0.03 -0.04 -0.04 2.34 2.28 2bp3A1 GLU 1903 HG3 0.01 -0.09 -0.41 -0.04 2.34 1.81 2bp3A1 GLY 1904 H -0.08 0.31 0.19 -0.55 8.43 8.30 2bp3A1 GLY 1904 HA2 -0.30 0.12 0.27 -0.51 4.01 3.60 2bp3A1 GLY 1904 HA3 -0.89 0.10 0.58 -0.51 4.01 3.29 2bp3A1 PRO 1905 HA -0.10 0.04 0.33 -0.51 4.44 4.20 2bp3A1 PRO 1905 HB2 -0.04 0.03 0.02 -0.04 2.28 2.25 2bp3A1 PRO 1905 HB3 -0.09 -0.02 0.12 -0.04 2.02 1.99 2bp3A1 PRO 1905 HG2 -0.14 0.12 -0.20 -0.04 2.03 1.76 2bp3A1 PRO 1905 HG3 -0.13 -0.00 0.01 -0.04 2.03 1.87 2bp3A1 PRO 1905 HD2 -1.54 0.12 -0.01 -0.04 3.68 2.21 2bp3A1 PRO 1905 HD3 -0.42 0.23 0.18 -0.04 3.65 3.60 2bp3A1 SER 1906 H -0.06 0.16 -0.37 -0.55 8.46 7.65 2bp3A1 SER 1906 HA 0.05 0.18 0.52 -0.75 4.49 4.48 2bp3A1 SER 1906 HB2 0.10 0.04 0.04 -0.04 3.95 4.09 2bp3A1 SER 1906 HB3 0.11 0.09 -0.07 -0.04 3.93 4.02 2bp3A1 LYS 1907 H 0.06 0.15 0.07 -0.55 8.42 8.15 2bp3A1 LYS 1907 HA 0.08 0.10 0.58 -0.75 4.32 4.33 2bp3A1 LYS 1907 HB2 0.04 0.01 0.10 -0.04 1.87 1.98 2bp3A1 LYS 1907 HB3 0.05 -0.02 0.19 -0.04 1.79 1.96 2bp3A1 LYS 1907 HG2 0.03 -0.03 -0.00 -0.04 1.46 1.43 2bp3A1 LYS 1907 HG3 0.05 0.02 -0.22 -0.04 1.46 1.26 2bp3A1 LYS 1907 HD2 0.04 0.05 0.02 -0.04 1.69 1.76 2bp3A1 LYS 1907 HD3 0.03 -0.02 0.01 -0.04 1.68 1.65 2bp3A1 LYS 1907 HE2 0.04 0.01 -0.10 -0.04 2.99 2.90 2bp3A1 LYS 1907 HE3 0.03 0.02 -0.01 -0.04 2.99 2.99 2bp3A1 ALA 1908 H 0.15 0.24 0.09 -0.55 8.40 8.34 2bp3A1 ALA 1908 HA 0.11 0.26 0.57 -0.75 4.34 4.53 2bp3A1 ALA 1908 HB3 0.18 -0.03 -0.20 -0.04 1.41 1.32 2bp3A1 GLU 1909 H 0.06 0.26 0.20 -0.55 8.60 8.58 2bp3A1 GLU 1909 HA 0.05 0.04 0.54 -0.75 4.29 4.16 2bp3A1 GLU 1909 HB2 0.03 -0.01 0.16 -0.04 2.09 2.24 2bp3A1 GLU 1909 HB3 0.02 0.04 -0.08 -0.04 1.99 1.93 2bp3A1 GLU 1909 HG2 0.03 0.00 0.03 -0.04 2.34 2.37 2bp3A1 GLU 1909 HG3 0.03 0.03 0.05 -0.04 2.34 2.41 2bp3A1 ILE 1910 H 0.04 0.13 0.22 -0.55 8.25 8.10 2bp3A1 ILE 1910 HA 0.08 0.30 1.00 -0.75 4.18 4.80 2bp3A1 ILE 1910 HB 0.03 -0.06 0.11 -0.04 1.89 1.93 2bp3A1 ILE 1910 HG12 0.08 0.01 -0.14 -0.04 1.49 1.40 2bp3A1 ILE 1910 HG13 0.06 0.11 -0.04 -0.04 1.21 1.31 2bp3A1 ILE 1910 HG23 0.03 -0.02 -0.22 -0.04 0.93 0.68 2bp3A1 ILE 1910 HD13 0.04 -0.03 -0.08 -0.04 0.88 0.77 2bp3A1 SER 1911 H -0.01 0.82 0.37 -0.55 8.46 9.09 2bp3A1 SER 1911 HA -0.01 0.16 0.68 -0.75 4.49 4.56 2bp3A1 SER 1911 HB2 -0.03 -0.04 0.07 -0.04 3.95 3.92 2bp3A1 SER 1911 HB3 -0.02 0.03 -0.05 -0.04 3.93 3.85 2bp3A1 CYS 1912 H -0.03 0.24 0.11 -0.55 8.50 8.28 2bp3A1 CYS 1912 HA -0.08 0.30 0.98 -0.75 4.58 5.02 2bp3A1 CYS 1912 HB2 -0.04 0.03 -0.31 -0.04 2.97 2.61 2bp3A1 CYS 1912 HB3 -0.02 -0.02 0.04 -0.04 2.97 2.93 2bp3A1 THR 1913 H -0.07 0.62 0.29 -0.55 8.28 8.58 2bp3A1 THR 1913 HA -0.03 0.18 1.04 -0.75 4.39 4.83 2bp3A1 THR 1913 HB -0.03 0.06 -0.10 -0.04 4.32 4.21 2bp3A1 THR 1913 HG23 -0.03 -0.00 -0.05 -0.04 1.22 1.10 2bp3A1 ASP 1914 H -0.02 0.19 0.14 -0.55 8.40 8.17 2bp3A1 ASP 1914 HA -0.02 0.12 0.83 -0.75 4.63 4.80 2bp3A1 ASP 1914 HB2 -0.01 0.05 0.16 -0.04 2.71 2.87 2bp3A1 ASP 1914 HB3 -0.01 0.03 0.19 -0.04 2.70 2.87 2bp3A1 ASN 1915 H -0.02 0.60 0.40 -0.55 8.53 8.96 2bp3A1 ASN 1915 HA -0.02 0.14 0.56 -0.75 4.76 4.69 2bp3A1 ASN 1915 HB2 -0.01 0.01 0.10 -0.04 2.88 2.93 2bp3A1 ASN 1915 HB3 -0.01 0.01 0.15 -0.04 2.79 2.90 2bp3A1 ASN 1915 HD21 -0.03 -0.00 -0.03 -0.04 7.03 6.92 2bp3A1 ASN 1915 HD22 -0.02 0.03 -0.03 -0.04 7.74 7.67 2bp3A1 GLN 1916 H -0.01 0.03 -0.42 -0.55 8.47 7.53 2bp3A1 GLN 1916 HA -0.00 0.01 0.28 -0.75 4.36 3.89 2bp3A1 GLN 1916 HB2 -0.00 0.26 0.00 -0.04 2.15 2.37 2bp3A1 GLN 1916 HB3 -0.00 -0.02 0.12 -0.04 2.02 2.08 2bp3A1 GLN 1916 HG2 -0.01 0.07 -0.28 -0.04 2.40 2.14 2bp3A1 GLN 1916 HG3 -0.00 0.02 -0.09 -0.04 2.39 2.27 2bp3A1 GLN 1916 HE21 -0.00 -0.01 0.02 -0.04 6.97 6.93 2bp3A1 GLN 1916 HE22 -0.00 0.01 0.00 -0.04 7.69 7.66 2bp3A1 ASP 1917 H -0.00 0.04 -0.58 -0.55 8.40 7.32 2bp3A1 ASP 1917 HA 0.00 0.25 0.81 -0.75 4.63 4.94 2bp3A1 ASP 1917 HB2 0.01 0.02 0.15 -0.04 2.71 2.85 2bp3A1 ASP 1917 HB3 0.00 0.08 -0.03 -0.04 2.70 2.71 2bp3A1 GLY 1918 H 0.00 0.10 -0.24 -0.55 8.43 7.74 2bp3A1 GLY 1918 HA2 0.00 0.06 0.21 -0.51 4.01 3.76 2bp3A1 GLY 1918 HA3 0.00 0.15 0.48 -0.51 4.01 4.13 2bp3A1 THR 1919 H -0.00 -0.04 -0.15 -0.55 8.28 7.54 2bp3A1 THR 1919 HA -0.02 0.30 0.95 -0.75 4.39 4.87 2bp3A1 THR 1919 HB 0.00 -0.08 -0.09 -0.04 4.32 4.11 2bp3A1 THR 1919 HG23 -0.02 -0.01 -0.22 -0.04 1.22 0.93 2bp3A1 CYS 1920 H -0.06 0.65 0.33 -0.55 8.50 8.87 2bp3A1 CYS 1920 HA -0.05 0.17 1.09 -0.75 4.58 5.04 2bp3A1 CYS 1920 HB2 -0.04 0.07 0.15 -0.04 2.97 3.11 2bp3A1 CYS 1920 HB3 -0.07 0.03 -0.12 -0.04 2.97 2.78 2bp3A1 SER 1921 H -0.08 0.60 0.30 -0.55 8.46 8.74 2bp3A1 SER 1921 HA -0.15 0.20 0.94 -0.75 4.49 4.73 2bp3A1 SER 1921 HB2 -0.06 -0.01 0.12 -0.04 3.95 3.96 2bp3A1 SER 1921 HB3 -0.09 -0.02 0.09 -0.04 3.93 3.87 2bp3A1 VAL 1922 H -0.37 0.77 0.41 -0.55 8.24 8.50 2bp3A1 VAL 1922 HA -0.22 0.27 1.12 -0.75 4.13 4.54 2bp3A1 VAL 1922 HB -1.24 0.00 0.01 -0.04 2.12 0.86 2bp3A1 VAL 1922 HG13 -0.23 0.01 -0.20 -0.04 0.97 0.51 2bp3A1 VAL 1922 HG23 -0.19 -0.02 -0.26 -0.04 0.95 0.44 2bp3A1 SER 1923 H -0.13 0.66 0.38 -0.55 8.46 8.82 2bp3A1 SER 1923 HA -0.16 0.39 1.00 -0.75 4.49 4.96 2bp3A1 SER 1923 HB2 -0.14 0.03 -0.08 -0.04 3.95 3.71 2bp3A1 SER 1923 HB3 -0.13 -0.06 -0.17 -0.04 3.93 3.53 2bp3A1 TYR 1924 H -0.29 0.57 0.33 -0.55 8.29 8.36 2bp3A1 TYR 1924 HA -0.03 0.47 1.00 -0.75 4.56 5.25 2bp3A1 TYR 1924 HB2 -0.00 -0.04 -0.19 -0.04 3.06 2.79 2bp3A1 TYR 1924 HB3 0.03 -0.03 -0.17 -0.04 2.98 2.77 2bp3A1 TYR 1924 HD2 -0.01 -0.05 -0.27 -0.04 7.15 6.78 2bp3A1 TYR 1924 HE2 -0.09 0.02 -0.20 -0.04 6.85 6.55 2bp3A1 LEU 1925 H 0.09 0.37 0.01 -0.55 8.37 8.29 2bp3A1 LEU 1925 HA -0.10 0.28 0.79 -0.75 4.35 4.57 2bp3A1 LEU 1925 HB2 -0.03 -0.00 -0.16 -0.04 1.64 1.41 2bp3A1 LEU 1925 HB3 0.01 -0.12 0.16 -0.04 1.64 1.65 2bp3A1 LEU 1925 HG -0.01 0.00 -0.27 -0.04 1.64 1.32 2bp3A1 LEU 1925 HD13 -0.04 0.06 -0.35 -0.04 0.93 0.56 2bp3A1 LEU 1925 HD23 -0.00 -0.02 -0.05 -0.04 0.89 0.77 2bp3A1 PRO 1926 HA 0.03 0.01 0.49 -0.51 4.44 4.46 2bp3A1 PRO 1926 HB2 -0.22 0.15 -0.18 -0.04 2.28 1.99 2bp3A1 PRO 1926 HB3 -0.66 0.02 -0.10 -0.04 2.02 1.23 2bp3A1 PRO 1926 HG2 -0.13 0.05 -0.09 -0.04 2.03 1.82 2bp3A1 PRO 1926 HG3 -0.23 0.03 -0.10 -0.04 2.03 1.69 2bp3A1 PRO 1926 HD2 -0.15 0.25 0.13 -0.04 3.68 3.87 2bp3A1 PRO 1926 HD3 -0.29 0.22 -0.12 -0.04 3.65 3.42 2bp3A1 VAL 1927 H 0.12 0.07 0.05 -0.55 8.24 7.94 2bp3A1 VAL 1927 HA 0.04 0.17 0.83 -0.75 4.13 4.41 2bp3A1 VAL 1927 HB 0.04 0.01 0.06 -0.04 2.12 2.19 2bp3A1 VAL 1927 HG13 0.03 0.03 -0.12 -0.04 0.97 0.87 2bp3A1 VAL 1927 HG23 0.07 0.00 -0.04 -0.04 0.95 0.94 2bp3A1 LEU 1928 H 0.19 0.00 -0.04 -0.55 8.37 7.98 2bp3A1 LEU 1928 HA 0.08 0.22 0.83 -0.75 4.35 4.73 2bp3A1 LEU 1928 HB2 0.12 -0.13 -0.14 -0.04 1.64 1.45 2bp3A1 LEU 1928 HB3 0.08 0.19 -0.03 -0.04 1.64 1.83 2bp3A1 LEU 1928 HG 0.06 -0.10 -0.13 -0.04 1.64 1.43 2bp3A1 LEU 1928 HD13 0.02 0.05 -0.02 -0.04 0.93 0.94 2bp3A1 LEU 1928 HD23 0.04 0.03 -0.00 -0.04 0.89 0.91 2bp3A1 PRO 1929 HA 0.16 0.17 0.40 -0.51 4.44 4.66 2bp3A1 PRO 1929 HB2 0.07 -0.00 0.04 -0.04 2.28 2.34 2bp3A1 PRO 1929 HB3 0.06 -0.01 -0.24 -0.04 2.02 1.80 2bp3A1 PRO 1929 HG2 0.05 -0.00 -0.04 -0.04 2.03 2.00 2bp3A1 PRO 1929 HG3 0.04 0.01 0.02 -0.04 2.03 2.06 2bp3A1 PRO 1929 HD2 0.06 0.05 0.18 -0.04 3.68 3.93 2bp3A1 PRO 1929 HD3 0.06 0.18 0.06 -0.04 3.65 3.90 2bp3A1 GLY 1930 H 0.14 0.67 0.31 -0.55 8.43 9.00 2bp3A1 GLY 1930 HA2 0.06 -0.03 0.34 -0.51 4.01 3.86 2bp3A1 GLY 1930 HA3 0.04 0.15 0.71 -0.51 4.01 4.39 2bp3A1 ASP 1931 H -0.01 0.12 0.17 -0.55 8.40 8.13 2bp3A1 ASP 1931 HA 0.13 0.28 0.93 -0.75 4.63 5.21 2bp3A1 ASP 1931 HB2 -0.01 -0.06 0.13 -0.04 2.71 2.73 2bp3A1 ASP 1931 HB3 0.02 0.06 -0.12 -0.04 2.70 2.62 2bp3A1 TYR 1932 H 0.27 0.69 0.29 -0.55 8.29 9.00 2bp3A1 TYR 1932 HA -0.00 0.28 1.12 -0.75 4.56 5.20 2bp3A1 TYR 1932 HB2 0.04 0.02 0.04 -0.04 3.06 3.11 2bp3A1 TYR 1932 HB3 -0.09 0.01 -0.15 -0.04 2.98 2.70 2bp3A1 TYR 1932 HD2 0.02 0.05 -0.32 -0.04 7.15 6.86 2bp3A1 TYR 1932 HE2 0.06 0.11 -0.22 -0.04 6.85 6.76 2bp3A1 SER 1933 H 0.01 0.57 0.33 -0.55 8.46 8.82 2bp3A1 SER 1933 HA 0.03 0.39 0.96 -0.75 4.49 5.12 2bp3A1 SER 1933 HB2 -0.01 -0.11 0.18 -0.04 3.95 3.97 2bp3A1 SER 1933 HB3 -0.00 0.00 -0.05 -0.04 3.93 3.83 2bp3A1 ILE 1934 H 0.06 0.47 0.12 -0.55 8.25 8.35 2bp3A1 ILE 1934 HA -0.01 0.23 0.98 -0.75 4.18 4.63 2bp3A1 ILE 1934 HB 0.05 -0.05 0.09 -0.04 1.89 1.94 2bp3A1 ILE 1934 HG12 -0.19 0.02 -0.16 -0.04 1.49 1.12 2bp3A1 ILE 1934 HG13 -0.24 -0.02 -0.25 -0.04 1.21 0.66 2bp3A1 ILE 1934 HG23 -0.15 -0.01 -0.20 -0.04 0.93 0.52 2bp3A1 ILE 1934 HD13 -0.01 0.04 -0.18 -0.04 0.88 0.69 2bp3A1 LEU 1935 H 0.06 0.76 0.24 -0.55 8.37 8.88 2bp3A1 LEU 1935 HA 0.08 0.10 0.94 -0.75 4.35 4.72 2bp3A1 LEU 1935 HB2 0.06 -0.06 0.03 -0.04 1.64 1.63 2bp3A1 LEU 1935 HB3 0.12 0.01 -0.12 -0.04 1.64 1.60 2bp3A1 LEU 1935 HG 0.03 0.05 -0.19 -0.04 1.64 1.50 2bp3A1 LEU 1935 HD13 0.02 -0.01 -0.33 -0.04 0.93 0.57 2bp3A1 LEU 1935 HD23 0.12 0.00 -0.10 -0.04 0.89 0.87 2bp3A1 VAL 1936 H 0.15 0.22 0.11 -0.55 8.24 8.17 2bp3A1 VAL 1936 HA 0.12 0.36 1.07 -0.75 4.13 4.93 2bp3A1 VAL 1936 HB 0.26 -0.01 0.06 -0.04 2.12 2.39 2bp3A1 VAL 1936 HG13 0.14 0.00 -0.22 -0.04 0.97 0.86 2bp3A1 VAL 1936 HG23 0.18 0.00 -0.28 -0.04 0.95 0.81 2bp3A1 LYS 1937 H 0.06 0.58 0.23 -0.55 8.42 8.73 2bp3A1 LYS 1937 HA 0.01 0.32 0.98 -0.75 4.32 4.88 2bp3A1 LYS 1937 HB2 -0.06 -0.06 -0.06 -0.04 1.87 1.66 2bp3A1 LYS 1937 HB3 -0.09 -0.13 -0.30 -0.04 1.79 1.23 2bp3A1 LYS 1937 HG2 -0.51 0.05 -0.74 -0.04 1.46 0.22 2bp3A1 LYS 1937 HG3 -0.35 -0.06 -0.51 -0.04 1.46 0.51 2bp3A1 LYS 1937 HD2 -0.18 -0.08 -0.26 -0.04 1.69 1.12 2bp3A1 LYS 1937 HD3 -0.48 0.09 -0.26 -0.04 1.68 0.99 2bp3A1 LYS 1937 HE2 -0.09 0.02 -0.21 -0.04 2.99 2.66 2bp3A1 LYS 1937 HE3 -0.07 -0.03 -0.24 -0.04 2.99 2.61 2bp3A1 TYR 1938 H 0.12 0.82 0.21 -0.55 8.29 8.90 2bp3A1 TYR 1938 HA -0.01 0.25 1.01 -0.75 4.56 5.05 2bp3A1 TYR 1938 HB2 0.02 -0.00 -0.06 -0.04 3.06 2.98 2bp3A1 TYR 1938 HB3 -0.00 0.07 0.12 -0.04 2.98 3.12 2bp3A1 TYR 1938 HD2 -0.03 0.04 -0.12 -0.04 7.15 7.00 2bp3A1 TYR 1938 HE2 -0.03 -0.01 -0.22 -0.04 6.85 6.55 2bp3A1 ASN 1939 H -0.26 0.68 0.23 -0.55 8.53 8.62 2bp3A1 ASN 1939 HA -0.20 -0.05 0.40 -0.75 4.76 4.16 2bp3A1 ASN 1939 HB2 -0.28 0.19 -0.05 -0.04 2.88 2.70 2bp3A1 ASN 1939 HB3 -0.17 0.03 0.26 -0.04 2.79 2.87 2bp3A1 ASN 1939 HD21 -0.43 0.16 0.12 -0.04 7.03 6.84 2bp3A1 ASN 1939 HD22 -0.43 0.07 -0.03 -0.04 7.74 7.31 2bp3A1 GLU 1940 H -0.08 0.08 -0.19 -0.55 8.60 7.86 2bp3A1 GLU 1940 HA -0.09 -0.02 0.17 -0.75 4.29 3.60 2bp3A1 GLU 1940 HB2 -0.06 -0.02 0.09 -0.04 2.09 2.07 2bp3A1 GLU 1940 HB3 -0.06 -0.09 -0.17 -0.04 1.99 1.62 2bp3A1 GLU 1940 HG2 -0.06 0.74 0.15 -0.04 2.34 3.13 2bp3A1 GLU 1940 HG3 -0.04 -0.04 -0.04 -0.04 2.34 2.18 2bp3A1 GLN 1941 H -0.05 0.33 -0.80 -0.55 8.47 7.41 2bp3A1 GLN 1941 HA -0.06 0.16 0.95 -0.75 4.36 4.66 2bp3A1 GLN 1941 HB2 0.05 0.04 -0.02 -0.04 2.15 2.18 2bp3A1 GLN 1941 HB3 0.04 0.01 0.06 -0.04 2.02 2.09 2bp3A1 GLN 1941 HG2 0.01 -0.06 -0.02 -0.04 2.40 2.29 2bp3A1 GLN 1941 HG3 -0.03 0.04 -0.17 -0.04 2.39 2.19 2bp3A1 GLN 1941 HE21 -0.07 -0.15 0.08 -0.04 6.97 6.79 2bp3A1 GLN 1941 HE22 -0.06 0.26 0.20 -0.04 7.69 8.04 2bp3A1 HIS 1942 H 0.04 0.14 0.12 -0.55 8.41 8.17 2bp3A1 HIS 1942 HA 0.01 0.04 0.58 -0.75 4.63 4.52 2bp3A1 HIS 1942 HB2 -0.03 -0.06 0.14 -0.04 3.26 3.27 2bp3A1 HIS 1942 HB3 -0.07 0.29 0.01 -0.04 3.20 3.39 2bp3A1 HIS 1942 HD2 -0.03 -0.02 0.00 -0.04 6.97 6.89 2bp3A1 HIS 1942 HE1 -0.04 -0.09 -0.15 -0.04 7.75 7.43 2bp3A1 VAL 1943 H 0.12 0.42 0.36 -0.55 8.24 8.60 2bp3A1 VAL 1943 HA 0.12 0.15 0.52 -0.75 4.13 4.18 2bp3A1 VAL 1943 HB 0.15 0.15 0.12 -0.04 2.12 2.51 2bp3A1 VAL 1943 HG13 0.24 -0.03 -0.15 -0.04 0.97 0.99 2bp3A1 VAL 1943 HG23 0.11 0.07 -0.18 -0.04 0.95 0.91 2bp3A1 PRO 1944 HA 0.02 0.02 0.33 -0.51 4.44 4.31 2bp3A1 PRO 1944 HB2 0.11 -0.04 0.09 -0.04 2.28 2.40 2bp3A1 PRO 1944 HB3 0.05 0.16 -0.10 -0.04 2.02 2.10 2bp3A1 PRO 1944 HG2 0.08 0.02 -0.00 -0.04 2.03 2.08 2bp3A1 PRO 1944 HG3 0.05 0.09 -0.17 -0.04 2.03 1.97 2bp3A1 PRO 1944 HD2 0.12 0.10 0.24 -0.04 3.68 4.10 2bp3A1 PRO 1944 HD3 0.11 0.17 0.16 -0.04 3.65 4.05 2bp3A1 GLY 1945 H -0.08 0.16 0.13 -0.55 8.43 8.10 2bp3A1 GLY 1945 HA2 -0.14 -0.01 0.31 -0.51 4.01 3.67 2bp3A1 GLY 1945 HA3 0.05 0.10 0.60 -0.51 4.01 4.26 2bp3A1 SER 1946 H -0.39 0.51 -0.46 -0.55 8.46 7.57 2bp3A1 SER 1946 HA -1.21 -0.03 0.55 -0.75 4.49 3.05 2bp3A1 SER 1946 HB2 -0.14 -0.05 0.11 -0.04 3.95 3.83 2bp3A1 SER 1946 HB3 -0.01 0.18 0.18 -0.04 3.93 4.23 2bp3A1 PRO 1947 HA -0.26 0.02 0.57 -0.51 4.44 4.26 2bp3A1 PRO 1947 HB2 -0.11 0.09 -0.05 -0.04 2.28 2.17 2bp3A1 PRO 1947 HB3 -0.10 -0.09 0.01 -0.04 2.02 1.80 2bp3A1 PRO 1947 HG2 -0.18 0.03 0.09 -0.04 2.03 1.93 2bp3A1 PRO 1947 HG3 -0.20 -0.04 0.06 -0.04 2.03 1.80 2bp3A1 PRO 1947 HD2 -0.36 0.11 0.30 -0.04 3.68 3.69 2bp3A1 PRO 1947 HD3 -0.77 0.03 0.17 -0.04 3.65 3.03 2bp3A1 PHE 1948 H -0.08 0.44 0.36 -0.55 8.34 8.51 2bp3A1 PHE 1948 HA -0.05 0.19 0.76 -0.75 4.62 4.76 2bp3A1 PHE 1948 HB2 -0.13 -0.11 0.15 -0.04 3.15 3.01 2bp3A1 PHE 1948 HB3 -0.09 0.17 0.17 -0.04 3.06 3.27 2bp3A1 PHE 1948 HD2 -0.11 0.01 -0.02 -0.04 7.28 7.13 2bp3A1 PHE 1948 HE2 -0.05 -0.03 -0.06 -0.04 7.38 7.20 2bp3A1 PHE 1948 HZ -0.02 0.14 -0.10 -0.04 7.32 7.30 2bp3A1 THR 1949 H 0.14 0.24 0.20 -0.55 8.28 8.31 2bp3A1 THR 1949 HA 0.07 0.25 0.90 -0.75 4.39 4.86 2bp3A1 THR 1949 HB 0.05 -0.03 0.14 -0.04 4.32 4.44 2bp3A1 THR 1949 HG23 0.05 -0.03 -0.21 -0.04 1.22 0.99 2bp3A1 ALA 1950 H 0.12 0.67 0.19 -0.55 8.40 8.84 2bp3A1 ALA 1950 HA 0.10 0.29 0.58 -0.75 4.34 4.55 2bp3A1 ALA 1950 HB3 0.15 -0.00 -0.31 -0.04 1.41 1.20 2bp3A1 ARG 1951 H 0.11 0.52 0.20 -0.55 8.46 8.75 2bp3A1 ARG 1951 HA 0.12 0.05 0.68 -0.75 4.34 4.44 2bp3A1 ARG 1951 HB2 0.10 -0.04 0.24 -0.04 1.90 2.16 2bp3A1 ARG 1951 HB3 0.08 -0.04 0.04 -0.04 1.80 1.83 2bp3A1 ARG 1951 HG2 0.06 -0.05 0.04 -0.04 1.67 1.68 2bp3A1 ARG 1951 HG3 0.08 0.10 0.12 -0.04 1.67 1.93 2bp3A1 ARG 1951 HD2 0.08 0.13 0.15 -0.04 3.22 3.55 2bp3A1 ARG 1951 HD3 0.07 -0.06 0.11 -0.04 3.22 3.30 2bp3A1 VAL 1952 H 0.19 0.85 0.28 -0.55 8.24 9.01 2bp3A1 VAL 1952 HA 0.08 0.12 0.82 -0.75 4.13 4.40 2bp3A1 VAL 1952 HB 0.26 0.06 0.11 -0.04 2.12 2.50 2bp3A1 VAL 1952 HG13 0.01 -0.03 -0.39 -0.04 0.97 0.51 2bp3A1 VAL 1952 HG23 -0.04 -0.00 -0.26 -0.04 0.95 0.60 2bp3A1 THR 1953 H 0.06 0.44 0.20 -0.55 8.28 8.43 2bp3A1 THR 1953 HA 0.06 0.07 0.84 -0.75 4.39 4.61 2bp3A1 THR 1953 HB 0.03 0.01 0.12 -0.04 4.32 4.43 2bp3A1 THR 1953 HG23 0.04 -0.01 -0.03 -0.04 1.22 1.18 2bp3A1 GLY 1954 H 0.03 0.04 0.09 -0.55 8.43 8.05 2bp3A1 GLY 1954 HA2 0.03 -0.01 0.39 -0.51 4.01 3.91 2bp3A1 GLY 1954 HA3 0.03 -0.07 0.21 -0.51 4.01 3.66