============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. PHE 23 1.000 3.432 24.732 -29.318 -99.200 -91.000 PHE 29 1.000 -1.374 32.839 -43.352 -99.200 -91.000 TYR 64 0.840 4.532 29.677 -25.139 -99.200 -91.000 HIS 72 0.900 0.609 25.977 -21.607 -99.200 -91.000 TYR 78 0.840 -1.407 38.933 -43.065 -99.200 -91.000 HIS 82 0.900 -8.047 32.909 -34.864 -99.200 -91.000 PHE 90 1.000 0.919 25.079 -26.854 -99.200 -91.000 TYR 91 0.840 0.024 18.446 -20.617 -99.200 -91.000 TYR 94 0.840 7.186 21.534 -14.783 -99.200 -91.000 HIS 99 0.900 4.109 13.116 -15.362 -99.200 -91.000 TYR 103 0.840 7.238 15.533 -26.090 -99.200 -91.000 HIS 109 0.900 -1.365 22.535 -39.133 -99.200 -91.000 PHE 118 1.000 0.433 11.936 -31.997 -99.200 -91.000 TYR 156 0.840 -3.138 12.778 -37.155 -99.200 -91.000 TYR 164 0.840 -9.633 15.004 -38.322 -99.200 -91.000 TYR 170 0.840 2.200 2.086 -21.237 -99.200 -91.000 HIS 174 0.900 -8.146 9.022 -21.716 -99.200 -91.000 PHE 180 1.000 -2.698 15.134 -25.463 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2k7pA20 GLY -3 HA2 0.00 -0.10 0.18 -0.51 4.01 3.58 2k7pA20 GLY -3 HA3 0.00 0.08 0.12 -0.51 4.01 3.70 2k7pA20 ALA -2 H -0.00 0.07 0.06 -0.55 8.40 7.99 2k7pA20 ALA -2 HA -0.00 0.11 0.38 -0.75 4.34 4.08 2k7pA20 ALA -2 HB3 -0.00 -0.05 0.07 -0.04 1.41 1.39 2k7pA20 MET -1 H -0.00 0.17 -0.14 -0.55 8.47 7.95 2k7pA20 MET -1 HA -0.00 0.13 0.59 -0.75 4.52 4.48 2k7pA20 MET -1 HB2 -0.00 0.02 -0.08 -0.04 2.15 2.05 2k7pA20 MET -1 HB3 -0.00 -0.05 0.08 -0.04 2.03 2.03 2k7pA20 MET -1 HG2 -0.00 0.18 -0.02 -0.04 2.63 2.75 2k7pA20 MET -1 HG3 -0.00 -0.22 -0.30 -0.04 2.56 2.00 2k7pA20 MET -1 HE3 -0.00 -0.03 -0.03 -0.04 2.10 2.00 2k7pA20 ALA 1772 H -0.00 0.07 0.10 -0.55 8.40 8.02 2k7pA20 ALA 1772 HA -0.00 0.10 0.37 -0.75 4.34 4.06 2k7pA20 ALA 1772 HB3 -0.00 -0.01 0.08 -0.04 1.41 1.44 2k7pA20 PRO 1773 HA -0.00 0.12 0.47 -0.51 4.44 4.52 2k7pA20 PRO 1773 HB2 -0.00 -0.02 0.03 -0.04 2.28 2.26 2k7pA20 PRO 1773 HB3 -0.00 0.04 0.07 -0.04 2.02 2.09 2k7pA20 PRO 1773 HG2 -0.00 0.03 -0.15 -0.04 2.03 1.86 2k7pA20 PRO 1773 HG3 -0.00 0.06 -0.00 -0.04 2.03 2.04 2k7pA20 PRO 1773 HD2 -0.00 -0.01 -0.07 -0.04 3.68 3.56 2k7pA20 PRO 1773 HD3 -0.00 0.10 0.10 -0.04 3.65 3.80 2k7pA20 GLU 1774 H -0.00 0.12 0.12 -0.55 8.60 8.29 2k7pA20 GLU 1774 HA 0.00 0.13 0.31 -0.75 4.29 3.98 2k7pA20 GLU 1774 HB2 -0.00 -0.01 0.07 -0.04 2.09 2.10 2k7pA20 GLU 1774 HB3 0.00 0.03 0.18 -0.04 1.99 2.16 2k7pA20 GLU 1774 HG2 -0.00 0.01 0.07 -0.04 2.34 2.38 2k7pA20 GLU 1774 HG3 -0.00 0.05 0.06 -0.04 2.34 2.41 2k7pA20 ARG 1775 H -0.00 -0.01 -0.89 -0.55 8.46 7.01 2k7pA20 ARG 1775 HA 0.00 0.20 0.76 -0.75 4.34 4.55 2k7pA20 ARG 1775 HB2 -0.00 0.02 0.10 -0.04 1.90 1.98 2k7pA20 ARG 1775 HB3 -0.00 -0.00 -0.06 -0.04 1.80 1.69 2k7pA20 ARG 1775 HG2 -0.00 -0.10 -0.07 -0.04 1.67 1.45 2k7pA20 ARG 1775 HG3 -0.00 0.02 -0.04 -0.04 1.67 1.60 2k7pA20 ARG 1775 HD2 -0.00 0.01 -0.02 -0.04 3.22 3.17 2k7pA20 ARG 1775 HD3 -0.00 -0.03 -0.02 -0.04 3.22 3.13 2k7pA20 PRO 1776 HA -0.00 0.04 0.42 -0.51 4.44 4.39 2k7pA20 PRO 1776 HB2 -0.00 -0.15 0.07 -0.04 2.28 2.16 2k7pA20 PRO 1776 HB3 -0.00 0.15 0.11 -0.04 2.02 2.24 2k7pA20 PRO 1776 HG2 0.00 0.10 0.05 -0.04 2.03 2.13 2k7pA20 PRO 1776 HG3 0.00 0.07 0.03 -0.04 2.03 2.09 2k7pA20 PRO 1776 HD2 0.00 0.21 -0.03 -0.04 3.68 3.81 2k7pA20 PRO 1776 HD3 0.00 0.23 -0.18 -0.04 3.65 3.65 2k7pA20 LEU 1777 H -0.00 0.08 0.07 -0.55 8.37 7.97 2k7pA20 LEU 1777 HA -0.00 0.14 0.35 -0.75 4.35 4.09 2k7pA20 LEU 1777 HB2 -0.00 -0.02 0.13 -0.04 1.64 1.71 2k7pA20 LEU 1777 HB3 -0.00 0.02 0.18 -0.04 1.64 1.80 2k7pA20 LEU 1777 HG -0.00 -0.04 0.03 -0.04 1.64 1.59 2k7pA20 LEU 1777 HD13 -0.00 0.00 0.02 -0.04 0.93 0.92 2k7pA20 LEU 1777 HD23 -0.00 0.02 -0.05 -0.04 0.89 0.82 2k7pA20 VAL 1778 H -0.00 0.59 -0.67 -0.55 8.24 7.61 2k7pA20 VAL 1778 HA -0.00 0.10 0.74 -0.75 4.13 4.21 2k7pA20 VAL 1778 HB 0.00 -0.03 -0.04 -0.04 2.12 2.02 2k7pA20 VAL 1778 HG13 -0.00 0.01 -0.07 -0.04 0.97 0.86 2k7pA20 VAL 1778 HG23 -0.00 -0.02 -0.20 -0.04 0.95 0.69 2k7pA20 GLY 1779 H -0.00 0.25 0.17 -0.55 8.43 8.30 2k7pA20 GLY 1779 HA2 0.00 0.05 0.32 -0.51 4.01 3.87 2k7pA20 GLY 1779 HA3 0.00 0.12 0.46 -0.51 4.01 4.08 2k7pA20 VAL 1780 H -0.00 0.28 0.15 -0.55 8.24 8.12 2k7pA20 VAL 1780 HA -0.00 0.05 0.51 -0.75 4.13 3.93 2k7pA20 VAL 1780 HB -0.00 0.11 -0.09 -0.04 2.12 2.10 2k7pA20 VAL 1780 HG13 -0.00 -0.00 -0.15 -0.04 0.97 0.78 2k7pA20 VAL 1780 HG23 -0.01 0.04 0.03 -0.04 0.95 0.98 2k7pA20 ASN 1781 H -0.01 0.14 0.13 -0.55 8.53 8.25 2k7pA20 ASN 1781 HA -0.01 0.01 0.55 -0.75 4.76 4.56 2k7pA20 ASN 1781 HB2 -0.02 0.00 0.13 -0.04 2.88 2.96 2k7pA20 ASN 1781 HB3 -0.03 0.06 0.16 -0.04 2.79 2.95 2k7pA20 ASN 1781 HD21 -0.06 0.01 -0.00 -0.04 7.03 6.94 2k7pA20 ASN 1781 HD22 -0.10 -0.06 -0.06 -0.04 7.74 7.48 2k7pA20 GLY 1782 H -0.00 0.10 0.24 -0.55 8.43 8.22 2k7pA20 GLY 1782 HA2 -0.01 0.14 0.55 -0.51 4.01 4.19 2k7pA20 GLY 1782 HA3 0.00 0.01 0.34 -0.51 4.01 3.85 2k7pA20 LEU 1783 H -0.02 -0.03 -0.07 -0.55 8.37 7.70 2k7pA20 LEU 1783 HA -0.03 0.16 0.72 -0.75 4.35 4.44 2k7pA20 LEU 1783 HB2 -0.09 -0.03 0.00 -0.04 1.64 1.47 2k7pA20 LEU 1783 HB3 -0.11 0.06 0.00 -0.04 1.64 1.55 2k7pA20 LEU 1783 HG 0.02 -0.06 -0.02 -0.04 1.64 1.53 2k7pA20 LEU 1783 HD13 0.10 -0.01 -0.01 -0.04 0.93 0.97 2k7pA20 LEU 1783 HD23 0.04 0.02 -0.08 -0.04 0.89 0.83 2k7pA20 ASP 1784 H -0.06 0.15 0.16 -0.55 8.40 8.10 2k7pA20 ASP 1784 HA -0.08 0.21 0.77 -0.75 4.63 4.77 2k7pA20 ASP 1784 HB2 -0.03 0.08 -0.00 -0.04 2.71 2.72 2k7pA20 ASP 1784 HB3 -0.03 -0.03 0.04 -0.04 2.70 2.63 2k7pA20 VAL 1785 H -0.08 0.30 0.12 -0.55 8.24 8.04 2k7pA20 VAL 1785 HA -0.09 0.01 0.75 -0.75 4.13 4.05 2k7pA20 VAL 1785 HB -0.10 0.05 0.00 -0.04 2.12 2.03 2k7pA20 VAL 1785 HG13 0.08 0.01 -0.18 -0.04 0.97 0.84 2k7pA20 VAL 1785 HG23 -0.64 0.01 -0.26 -0.04 0.95 0.01 2k7pA20 THR 1786 H 0.04 0.08 0.07 -0.55 8.28 7.93 2k7pA20 THR 1786 HA 0.01 0.11 0.41 -0.75 4.39 4.17 2k7pA20 THR 1786 HB -0.00 0.18 0.07 -0.04 4.32 4.53 2k7pA20 THR 1786 HG23 0.01 -0.01 -0.13 -0.04 1.22 1.04 2k7pA20 SER 1787 H 0.04 0.07 0.18 -0.55 8.46 8.20 2k7pA20 SER 1787 HA 0.02 0.23 0.86 -0.75 4.49 4.85 2k7pA20 SER 1787 HB2 0.03 -0.07 0.09 -0.04 3.95 3.95 2k7pA20 SER 1787 HB3 0.02 0.11 0.02 -0.04 3.93 4.04 2k7pA20 LEU 1788 H 0.01 0.30 0.13 -0.55 8.37 8.26 2k7pA20 LEU 1788 HA 0.01 0.07 0.76 -0.75 4.35 4.43 2k7pA20 LEU 1788 HB2 -0.01 0.07 -0.13 -0.04 1.64 1.53 2k7pA20 LEU 1788 HB3 -0.05 0.09 -0.16 -0.04 1.64 1.48 2k7pA20 LEU 1788 HG 0.18 -0.07 -0.44 -0.04 1.64 1.27 2k7pA20 LEU 1788 HD13 0.06 0.01 -0.48 -0.04 0.93 0.49 2k7pA20 LEU 1788 HD23 -0.28 0.02 -0.40 -0.04 0.89 0.19 2k7pA20 ARG 1789 H -0.10 0.41 0.21 -0.55 8.46 8.43 2k7pA20 ARG 1789 HA -0.14 0.07 0.30 -0.75 4.34 3.83 2k7pA20 ARG 1789 HB2 -0.17 0.00 0.23 -0.04 1.90 1.92 2k7pA20 ARG 1789 HB3 -0.10 -0.05 0.17 -0.04 1.80 1.79 2k7pA20 ARG 1789 HG2 -0.27 0.03 -0.03 -0.04 1.67 1.35 2k7pA20 ARG 1789 HG3 -0.31 0.12 -0.10 -0.04 1.67 1.34 2k7pA20 ARG 1789 HD2 -0.64 -0.04 -0.08 -0.04 3.22 2.42 2k7pA20 ARG 1789 HD3 -2.20 -0.01 -0.08 -0.04 3.22 0.89 2k7pA20 PRO 1790 HA 0.00 0.09 0.59 -0.51 4.44 4.61 2k7pA20 PRO 1790 HB2 -0.01 0.01 0.05 -0.04 2.28 2.28 2k7pA20 PRO 1790 HB3 -0.02 0.03 0.14 -0.04 2.02 2.12 2k7pA20 PRO 1790 HG2 -0.01 -0.00 0.16 -0.04 2.03 2.13 2k7pA20 PRO 1790 HG3 -0.01 0.01 0.10 -0.04 2.03 2.09 2k7pA20 PRO 1790 HD2 -0.10 0.03 0.19 -0.04 3.68 3.75 2k7pA20 PRO 1790 HD3 -0.05 0.22 0.24 -0.04 3.65 4.03 2k7pA20 PHE 1791 H 0.14 0.24 0.27 -0.55 8.34 8.44 2k7pA20 PHE 1791 HA -0.05 0.10 0.75 -0.75 4.62 4.65 2k7pA20 PHE 1791 HB2 0.01 0.05 -0.06 -0.04 3.15 3.11 2k7pA20 PHE 1791 HB3 0.07 0.01 0.07 -0.04 3.06 3.16 2k7pA20 PHE 1791 HD2 -0.25 -0.02 -0.11 -0.04 7.28 6.86 2k7pA20 PHE 1791 HE2 -0.61 0.00 -0.18 -0.04 7.38 6.55 2k7pA20 PHE 1791 HZ -0.56 0.00 -0.23 -0.04 7.32 6.50 2k7pA20 ASP 1792 H -0.45 0.29 0.23 -0.55 8.40 7.92 2k7pA20 ASP 1792 HA -0.66 0.18 0.62 -0.75 4.63 4.00 2k7pA20 ASP 1792 HB2 -0.20 0.04 0.15 -0.04 2.71 2.66 2k7pA20 ASP 1792 HB3 -0.19 0.05 -0.05 -0.04 2.70 2.47 2k7pA20 LEU 1793 H -0.31 0.63 0.38 -0.55 8.37 8.53 2k7pA20 LEU 1793 HA -0.13 0.08 0.66 -0.75 4.35 4.21 2k7pA20 LEU 1793 HB2 -0.32 -0.03 -0.22 -0.04 1.64 1.03 2k7pA20 LEU 1793 HB3 -0.17 -0.00 -0.16 -0.04 1.64 1.26 2k7pA20 LEU 1793 HG -0.02 0.07 0.13 -0.04 1.64 1.78 2k7pA20 LEU 1793 HD13 0.05 -0.00 -0.09 -0.04 0.93 0.85 2k7pA20 LEU 1793 HD23 0.03 0.03 0.16 -0.04 0.89 1.07 2k7pA20 VAL 1794 H -0.06 0.25 0.21 -0.55 8.24 8.09 2k7pA20 VAL 1794 HA -0.07 0.23 0.99 -0.75 4.13 4.53 2k7pA20 VAL 1794 HB -0.04 -0.02 -0.01 -0.04 2.12 2.01 2k7pA20 VAL 1794 HG13 -0.00 0.00 0.01 -0.04 0.97 0.93 2k7pA20 VAL 1794 HG23 -0.02 0.01 -0.16 -0.04 0.95 0.74 2k7pA20 ILE 1795 H -0.06 0.73 0.35 -0.55 8.25 8.73 2k7pA20 ILE 1795 HA -0.19 0.24 0.80 -0.75 4.18 4.28 2k7pA20 ILE 1795 HB -0.08 -0.06 0.05 -0.04 1.89 1.76 2k7pA20 ILE 1795 HG12 -0.64 0.13 -0.20 -0.04 1.49 0.74 2k7pA20 ILE 1795 HG13 -0.22 -0.11 -0.48 -0.04 1.21 0.36 2k7pA20 ILE 1795 HG23 -0.12 -0.00 -0.12 -0.04 0.93 0.65 2k7pA20 ILE 1795 HD13 -0.18 -0.00 -0.19 -0.04 0.88 0.47 2k7pA20 PRO 1796 HA 0.04 0.13 0.55 -0.51 4.44 4.65 2k7pA20 PRO 1796 HB2 0.04 0.07 0.21 -0.04 2.28 2.56 2k7pA20 PRO 1796 HB3 0.05 0.00 0.07 -0.04 2.02 2.11 2k7pA20 PRO 1796 HG2 0.12 0.03 0.00 -0.04 2.03 2.14 2k7pA20 PRO 1796 HG3 0.11 0.04 0.02 -0.04 2.03 2.16 2k7pA20 PRO 1796 HD2 0.13 0.10 0.14 -0.04 3.68 4.01 2k7pA20 PRO 1796 HD3 0.15 0.16 0.12 -0.04 3.65 4.04 2k7pA20 PHE 1797 H 0.15 0.29 -0.48 -0.55 8.34 7.75 2k7pA20 PHE 1797 HA -0.01 0.16 0.67 -0.75 4.62 4.68 2k7pA20 PHE 1797 HB2 -0.02 -0.02 -0.08 -0.04 3.15 2.99 2k7pA20 PHE 1797 HB3 -0.02 -0.02 -0.10 -0.04 3.06 2.88 2k7pA20 PHE 1797 HD2 0.01 -0.01 -0.16 -0.04 7.28 7.07 2k7pA20 PHE 1797 HE2 0.05 -0.02 -0.09 -0.04 7.38 7.28 2k7pA20 PHE 1797 HZ -0.20 -0.02 -0.02 -0.04 7.32 7.03 2k7pA20 THR 1798 H -1.36 0.20 0.07 -0.55 8.28 6.63 2k7pA20 THR 1798 HA -0.22 0.06 0.66 -0.75 4.39 4.14 2k7pA20 THR 1798 HB -0.40 -0.02 0.02 -0.04 4.32 3.88 2k7pA20 THR 1798 HG23 -0.16 -0.00 -0.20 -0.04 1.22 0.81 2k7pA20 ILE 1799 H -0.11 0.16 0.04 -0.55 8.25 7.80 2k7pA20 ILE 1799 HA -0.02 0.07 0.69 -0.75 4.18 4.16 2k7pA20 ILE 1799 HB 0.06 -0.00 0.05 -0.04 1.89 1.96 2k7pA20 ILE 1799 HG12 0.46 0.03 -0.18 -0.04 1.49 1.76 2k7pA20 ILE 1799 HG13 0.20 -0.03 -0.21 -0.04 1.21 1.13 2k7pA20 ILE 1799 HG23 0.20 0.02 -0.25 -0.04 0.93 0.85 2k7pA20 ILE 1799 HD13 0.15 -0.00 -0.11 -0.04 0.88 0.88 2k7pA20 LYS 1800 H -0.06 0.08 0.01 -0.55 8.42 7.90 2k7pA20 LYS 1800 HA -0.03 0.20 0.80 -0.75 4.32 4.54 2k7pA20 LYS 1800 HB2 -0.12 0.04 -0.09 -0.04 1.87 1.65 2k7pA20 LYS 1800 HB3 -0.09 -0.04 0.15 -0.04 1.79 1.76 2k7pA20 LYS 1800 HG2 -0.01 0.01 -0.14 -0.04 1.46 1.28 2k7pA20 LYS 1800 HG3 -0.04 0.02 -0.00 -0.04 1.46 1.39 2k7pA20 LYS 1800 HD2 -0.03 -0.00 -0.02 -0.04 1.69 1.59 2k7pA20 LYS 1800 HD3 -0.07 0.01 -0.03 -0.04 1.68 1.56 2k7pA20 LYS 1800 HE2 -0.08 -0.01 0.02 -0.04 2.99 2.89 2k7pA20 LYS 1800 HE3 -0.02 0.01 0.01 -0.04 2.99 2.94 2k7pA20 LYS 1801 H 0.08 0.19 0.11 -0.55 8.42 8.25 2k7pA20 LYS 1801 HA 0.10 0.09 0.55 -0.75 4.32 4.30 2k7pA20 LYS 1801 HB2 0.03 0.13 -0.19 -0.04 1.87 1.80 2k7pA20 LYS 1801 HB3 0.05 -0.02 -0.00 -0.04 1.79 1.78 2k7pA20 LYS 1801 HG2 0.05 0.00 -0.10 -0.04 1.46 1.37 2k7pA20 LYS 1801 HG3 0.04 0.02 0.10 -0.04 1.46 1.58 2k7pA20 LYS 1801 HD2 0.02 0.02 -0.01 -0.04 1.69 1.69 2k7pA20 LYS 1801 HD3 0.02 -0.01 -0.03 -0.04 1.68 1.62 2k7pA20 LYS 1801 HE2 0.02 0.01 0.01 -0.04 2.99 2.99 2k7pA20 LYS 1801 HE3 0.02 -0.00 -0.00 -0.04 2.99 2.96 2k7pA20 GLY 1802 H 0.09 0.28 0.15 -0.55 8.43 8.40 2k7pA20 GLY 1802 HA2 0.05 0.06 0.36 -0.51 4.01 3.97 2k7pA20 GLY 1802 HA3 0.19 0.11 0.65 -0.51 4.01 4.45 2k7pA20 GLU 1803 H -0.46 0.22 0.15 -0.55 8.60 7.96 2k7pA20 GLU 1803 HA -0.23 0.12 0.66 -0.75 4.29 4.09 2k7pA20 GLU 1803 HB2 -0.10 0.11 -0.20 -0.04 2.09 1.86 2k7pA20 GLU 1803 HB3 -0.15 -0.06 0.00 -0.04 1.99 1.75 2k7pA20 GLU 1803 HG2 -0.13 0.02 -0.21 -0.04 2.34 1.98 2k7pA20 GLU 1803 HG3 -0.10 0.03 0.10 -0.04 2.34 2.34 2k7pA20 ILE 1804 H -0.22 0.25 0.18 -0.55 8.25 7.91 2k7pA20 ILE 1804 HA -0.27 0.21 1.03 -0.75 4.18 4.40 2k7pA20 ILE 1804 HB -0.05 -0.06 -0.09 -0.04 1.89 1.65 2k7pA20 ILE 1804 HG12 -0.07 0.06 -0.18 -0.04 1.49 1.26 2k7pA20 ILE 1804 HG13 -0.07 0.06 -0.22 -0.04 1.21 0.94 2k7pA20 ILE 1804 HG23 0.01 -0.00 -0.04 -0.04 0.93 0.86 2k7pA20 ILE 1804 HD13 -0.00 -0.01 -0.18 -0.04 0.88 0.64 2k7pA20 THR 1805 H -0.11 0.64 0.36 -0.55 8.28 8.62 2k7pA20 THR 1805 HA -0.05 0.16 0.67 -0.75 4.39 4.41 2k7pA20 THR 1805 HB -0.03 0.01 0.17 -0.04 4.32 4.43 2k7pA20 THR 1805 HG23 -0.05 -0.00 -0.14 -0.04 1.22 0.98 2k7pA20 GLY 1806 H -0.02 0.27 0.23 -0.55 8.43 8.37 2k7pA20 GLY 1806 HA2 -0.04 -0.02 0.36 -0.51 4.01 3.80 2k7pA20 GLY 1806 HA3 -0.04 0.16 0.47 -0.51 4.01 4.09 2k7pA20 GLU 1807 H 0.01 0.58 0.36 -0.55 8.60 9.00 2k7pA20 GLU 1807 HA 0.04 0.20 0.78 -0.75 4.29 4.55 2k7pA20 GLU 1807 HB2 0.02 0.05 -0.14 -0.04 2.09 1.98 2k7pA20 GLU 1807 HB3 0.03 -0.07 -0.00 -0.04 1.99 1.91 2k7pA20 GLU 1807 HG2 0.03 0.01 -0.18 -0.04 2.34 2.16 2k7pA20 GLU 1807 HG3 0.04 0.07 0.09 -0.04 2.34 2.49 2k7pA20 VAL 1808 H 0.05 0.84 0.42 -0.55 8.24 9.00 2k7pA20 VAL 1808 HA 0.02 0.28 1.06 -0.75 4.13 4.73 2k7pA20 VAL 1808 HB -0.10 -0.04 -0.04 -0.04 2.12 1.90 2k7pA20 VAL 1808 HG13 -0.48 0.01 -0.21 -0.04 0.97 0.26 2k7pA20 VAL 1808 HG23 -0.11 -0.02 -0.19 -0.04 0.95 0.59 2k7pA20 ARG 1809 H -0.00 0.56 0.32 -0.55 8.46 8.78 2k7pA20 ARG 1809 HA 0.00 0.18 0.95 -0.75 4.34 4.72 2k7pA20 ARG 1809 HB2 -0.05 -0.03 0.08 -0.04 1.90 1.86 2k7pA20 ARG 1809 HB3 -0.04 0.09 0.01 -0.04 1.80 1.81 2k7pA20 ARG 1809 HG2 0.01 -0.00 -0.20 -0.04 1.67 1.44 2k7pA20 ARG 1809 HG3 0.01 -0.00 -0.11 -0.04 1.67 1.52 2k7pA20 ARG 1809 HD2 -0.01 0.05 -0.06 -0.04 3.22 3.16 2k7pA20 ARG 1809 HD3 0.01 -0.03 -0.08 -0.04 3.22 3.07 2k7pA20 MET 1810 H -0.04 0.64 0.24 -0.55 8.47 8.77 2k7pA20 MET 1810 HA -0.59 0.19 0.69 -0.75 4.52 4.06 2k7pA20 MET 1810 HB2 -0.01 0.03 0.05 -0.04 2.15 2.18 2k7pA20 MET 1810 HB3 -0.06 -0.10 -0.04 -0.04 2.03 1.78 2k7pA20 MET 1810 HG2 0.35 0.01 -0.12 -0.04 2.63 2.83 2k7pA20 MET 1810 HG3 0.24 0.02 -0.34 -0.04 2.56 2.44 2k7pA20 MET 1810 HE3 0.19 0.06 -0.39 -0.04 2.10 1.91 2k7pA20 PRO 1811 HA -0.14 0.12 0.40 -0.51 4.44 4.31 2k7pA20 PRO 1811 HB2 -0.13 0.00 0.05 -0.04 2.28 2.17 2k7pA20 PRO 1811 HB3 -0.11 0.03 0.13 -0.04 2.02 2.03 2k7pA20 PRO 1811 HG2 -0.26 -0.12 0.10 -0.04 2.03 1.70 2k7pA20 PRO 1811 HG3 -0.26 0.28 0.13 -0.04 2.03 2.13 2k7pA20 PRO 1811 HD2 -0.53 0.11 0.11 -0.04 3.68 3.32 2k7pA20 PRO 1811 HD3 -0.91 0.25 0.06 -0.04 3.65 3.01 2k7pA20 SER 1812 H -0.09 0.09 -0.31 -0.55 8.46 7.61 2k7pA20 SER 1812 HA -0.03 0.13 0.47 -0.75 4.49 4.30 2k7pA20 SER 1812 HB2 -0.00 0.03 0.11 -0.04 3.95 4.04 2k7pA20 SER 1812 HB3 -0.01 0.02 0.06 -0.04 3.93 3.96 2k7pA20 GLY 1813 H -0.05 0.39 -0.53 -0.55 8.43 7.70 2k7pA20 GLY 1813 HA2 -0.03 0.05 0.27 -0.51 4.01 3.79 2k7pA20 GLY 1813 HA3 -0.01 0.09 0.55 -0.51 4.01 4.12 2k7pA20 LYS 1814 H -0.01 -0.04 -0.32 -0.55 8.42 7.50 2k7pA20 LYS 1814 HA 0.02 0.11 0.55 -0.75 4.32 4.24 2k7pA20 LYS 1814 HB2 0.03 -0.10 -0.02 -0.04 1.87 1.75 2k7pA20 LYS 1814 HB3 0.05 0.06 -0.02 -0.04 1.79 1.84 2k7pA20 LYS 1814 HG2 0.03 0.03 -0.01 -0.04 1.46 1.47 2k7pA20 LYS 1814 HG3 0.02 0.04 -0.12 -0.04 1.46 1.35 2k7pA20 LYS 1814 HD2 0.03 0.03 -0.05 -0.04 1.69 1.66 2k7pA20 LYS 1814 HD3 0.03 -0.06 -0.09 -0.04 1.68 1.52 2k7pA20 LYS 1814 HE2 0.06 0.02 -0.08 -0.04 2.99 2.95 2k7pA20 LYS 1814 HE3 0.04 0.03 -0.05 -0.04 2.99 2.97 2k7pA20 VAL 1815 H 0.04 0.22 0.23 -0.55 8.24 8.19 2k7pA20 VAL 1815 HA 0.06 0.23 0.84 -0.75 4.13 4.50 2k7pA20 VAL 1815 HB 0.04 0.02 0.10 -0.04 2.12 2.23 2k7pA20 VAL 1815 HG13 0.01 0.01 -0.14 -0.04 0.97 0.81 2k7pA20 VAL 1815 HG23 0.03 -0.01 -0.03 -0.04 0.95 0.90 2k7pA20 ALA 1816 H 0.10 0.60 0.38 -0.55 8.40 8.93 2k7pA20 ALA 1816 HA 0.08 0.09 0.61 -0.75 4.34 4.36 2k7pA20 ALA 1816 HB3 0.20 0.03 -0.02 -0.04 1.41 1.57 2k7pA20 GLN 1817 H 0.09 0.15 0.19 -0.55 8.47 8.36 2k7pA20 GLN 1817 HA 0.06 0.16 0.78 -0.75 4.36 4.61 2k7pA20 GLN 1817 HB2 0.04 -0.05 0.13 -0.04 2.15 2.23 2k7pA20 GLN 1817 HB3 0.03 0.13 0.06 -0.04 2.02 2.20 2k7pA20 GLN 1817 HG2 0.03 0.18 0.08 -0.04 2.40 2.65 2k7pA20 GLN 1817 HG3 0.04 -0.10 -0.02 -0.04 2.39 2.27 2k7pA20 GLN 1817 HE21 0.02 -0.03 0.04 -0.04 6.97 6.97 2k7pA20 GLN 1817 HE22 0.01 -0.01 0.03 -0.04 7.69 7.67 2k7pA20 PRO 1818 HA 0.15 0.16 0.72 -0.51 4.44 4.96 2k7pA20 PRO 1818 HB2 0.00 0.02 -0.11 -0.04 2.28 2.15 2k7pA20 PRO 1818 HB3 0.06 0.01 -0.06 -0.04 2.02 1.99 2k7pA20 PRO 1818 HG2 -0.00 -0.02 -0.14 -0.04 2.03 1.82 2k7pA20 PRO 1818 HG3 0.01 0.11 -0.08 -0.04 2.03 2.02 2k7pA20 PRO 1818 HD2 0.03 0.12 -0.11 -0.04 3.68 3.68 2k7pA20 PRO 1818 HD3 0.05 0.06 -0.06 -0.04 3.65 3.67 2k7pA20 THR 1819 H 0.02 0.70 0.27 -0.55 8.28 8.72 2k7pA20 THR 1819 HA -0.00 0.12 0.80 -0.75 4.39 4.55 2k7pA20 THR 1819 HB -0.01 -0.06 0.08 -0.04 4.32 4.29 2k7pA20 THR 1819 HG23 -0.01 0.00 -0.15 -0.04 1.22 1.02 2k7pA20 ILE 1820 H -0.01 0.21 0.12 -0.55 8.25 8.02 2k7pA20 ILE 1820 HA -0.03 0.23 0.88 -0.75 4.18 4.50 2k7pA20 ILE 1820 HB -0.01 0.01 0.02 -0.04 1.89 1.87 2k7pA20 ILE 1820 HG12 -0.05 -0.03 -0.20 -0.04 1.49 1.18 2k7pA20 ILE 1820 HG13 -0.05 0.03 -0.23 -0.04 1.21 0.92 2k7pA20 ILE 1820 HG23 0.02 -0.02 -0.22 -0.04 0.93 0.67 2k7pA20 ILE 1820 HD13 -0.03 0.00 -0.33 -0.04 0.88 0.48 2k7pA20 THR 1821 H -0.01 0.78 0.29 -0.55 8.28 8.79 2k7pA20 THR 1821 HA 0.00 0.08 0.77 -0.75 4.39 4.50 2k7pA20 THR 1821 HB -0.02 -0.01 0.08 -0.04 4.32 4.32 2k7pA20 THR 1821 HG23 -0.01 0.01 -0.13 -0.04 1.22 1.05 2k7pA20 ASP 1822 H 0.02 0.18 0.13 -0.55 8.40 8.19 2k7pA20 ASP 1822 HA 0.03 0.10 0.91 -0.75 4.63 4.91 2k7pA20 ASP 1822 HB2 0.02 -0.02 0.12 -0.04 2.71 2.79 2k7pA20 ASP 1822 HB3 0.06 -0.00 0.08 -0.04 2.70 2.80 2k7pA20 ASN 1823 H 0.01 0.58 0.39 -0.55 8.53 8.96 2k7pA20 ASN 1823 HA -0.00 0.16 0.38 -0.75 4.76 4.54 2k7pA20 ASN 1823 HB2 -0.00 -0.04 0.06 -0.04 2.88 2.85 2k7pA20 ASN 1823 HB3 -0.01 0.04 0.10 -0.04 2.79 2.88 2k7pA20 ASN 1823 HD21 -0.01 -0.04 -0.34 -0.04 7.03 6.61 2k7pA20 ASN 1823 HD22 -0.02 0.02 -0.23 -0.04 7.74 7.48 2k7pA20 LYS 1824 H -0.00 0.10 -0.23 -0.55 8.42 7.73 2k7pA20 LYS 1824 HA -0.01 0.03 0.30 -0.75 4.32 3.88 2k7pA20 LYS 1824 HB2 -0.01 0.16 0.13 -0.04 1.87 2.11 2k7pA20 LYS 1824 HB3 -0.01 -0.01 0.16 -0.04 1.79 1.89 2k7pA20 LYS 1824 HG2 -0.00 0.04 -0.40 -0.04 1.46 1.05 2k7pA20 LYS 1824 HG3 -0.00 0.00 -0.06 -0.04 1.46 1.36 2k7pA20 LYS 1824 HD2 -0.00 0.00 0.01 -0.04 1.69 1.66 2k7pA20 LYS 1824 HD3 -0.00 -0.08 -0.05 -0.04 1.68 1.51 2k7pA20 LYS 1824 HE2 0.00 0.13 0.00 -0.04 2.99 3.09 2k7pA20 LYS 1824 HE3 0.00 -0.01 -0.01 -0.04 2.99 2.93 2k7pA20 ASP 1825 H -0.01 0.02 -0.55 -0.55 8.40 7.31 2k7pA20 ASP 1825 HA -0.01 0.21 0.65 -0.75 4.63 4.72 2k7pA20 ASP 1825 HB2 -0.01 0.10 -0.07 -0.04 2.71 2.69 2k7pA20 ASP 1825 HB3 -0.01 -0.06 -0.05 -0.04 2.70 2.54 2k7pA20 GLY 1826 H -0.02 0.01 -0.13 -0.55 8.43 7.74 2k7pA20 GLY 1826 HA2 -0.05 -0.00 0.23 -0.51 4.01 3.68 2k7pA20 GLY 1826 HA3 -0.03 0.18 0.61 -0.51 4.01 4.27 2k7pA20 THR 1827 H -0.01 -0.11 0.02 -0.55 8.28 7.63 2k7pA20 THR 1827 HA 0.02 0.25 0.83 -0.75 4.39 4.74 2k7pA20 THR 1827 HB 0.01 0.06 -0.04 -0.04 4.32 4.31 2k7pA20 THR 1827 HG23 0.01 0.03 -0.28 -0.04 1.22 0.93 2k7pA20 VAL 1828 H 0.04 0.77 0.42 -0.55 8.24 8.92 2k7pA20 VAL 1828 HA 0.02 0.03 0.95 -0.75 4.13 4.38 2k7pA20 VAL 1828 HB 0.06 0.06 -0.13 -0.04 2.12 2.06 2k7pA20 VAL 1828 HG13 0.18 0.01 -0.26 -0.04 0.97 0.87 2k7pA20 VAL 1828 HG23 0.08 -0.00 -0.13 -0.04 0.95 0.85 2k7pA20 THR 1829 H -0.01 0.72 0.38 -0.55 8.28 8.82 2k7pA20 THR 1829 HA -0.06 0.23 1.09 -0.75 4.39 4.89 2k7pA20 THR 1829 HB -0.03 0.02 0.15 -0.04 4.32 4.41 2k7pA20 THR 1829 HG23 -0.07 0.01 -0.09 -0.04 1.22 1.04 2k7pA20 VAL 1830 H -0.13 0.79 0.38 -0.55 8.24 8.74 2k7pA20 VAL 1830 HA -0.08 0.27 0.98 -0.75 4.13 4.55 2k7pA20 VAL 1830 HB -0.17 -0.02 -0.03 -0.04 2.12 1.85 2k7pA20 VAL 1830 HG13 -0.09 0.01 -0.21 -0.04 0.97 0.64 2k7pA20 VAL 1830 HG23 -0.09 -0.01 -0.30 -0.04 0.95 0.51 2k7pA20 ARG 1831 H -0.08 0.64 0.33 -0.55 8.46 8.80 2k7pA20 ARG 1831 HA -0.21 0.21 0.92 -0.75 4.34 4.51 2k7pA20 ARG 1831 HB2 -0.05 -0.01 0.03 -0.04 1.90 1.82 2k7pA20 ARG 1831 HB3 -0.07 0.04 0.08 -0.04 1.80 1.81 2k7pA20 ARG 1831 HG2 -0.12 0.06 -0.07 -0.04 1.67 1.50 2k7pA20 ARG 1831 HG3 -0.09 -0.06 -0.37 -0.04 1.67 1.11 2k7pA20 ARG 1831 HD2 -0.05 -0.01 -0.09 -0.04 3.22 3.02 2k7pA20 ARG 1831 HD3 -0.06 0.03 -0.06 -0.04 3.22 3.09 2k7pA20 TYR 1832 H -0.00 0.48 0.25 -0.55 8.29 8.46 2k7pA20 TYR 1832 HA 0.00 0.05 0.67 -0.75 4.56 4.53 2k7pA20 TYR 1832 HB2 0.06 0.03 -0.22 -0.04 3.06 2.90 2k7pA20 TYR 1832 HB3 0.12 0.01 -0.18 -0.04 2.98 2.89 2k7pA20 TYR 1832 HD2 0.17 0.00 -0.22 -0.04 7.15 7.06 2k7pA20 TYR 1832 HE2 0.04 -0.04 -0.19 -0.04 6.85 6.62 2k7pA20 ALA 1833 H -0.36 0.17 0.09 -0.55 8.40 7.75 2k7pA20 ALA 1833 HA -0.25 0.16 0.75 -0.75 4.34 4.24 2k7pA20 ALA 1833 HB3 -0.17 0.01 0.08 -0.04 1.41 1.29 2k7pA20 PRO 1834 HA -0.25 0.06 0.37 -0.51 4.44 4.11 2k7pA20 PRO 1834 HB2 -0.05 -0.08 -0.08 -0.04 2.28 2.02 2k7pA20 PRO 1834 HB3 0.01 0.09 0.02 -0.04 2.02 2.10 2k7pA20 PRO 1834 HG2 -0.07 -0.05 -0.08 -0.04 2.03 1.79 2k7pA20 PRO 1834 HG3 -0.04 0.22 -0.20 -0.04 2.03 1.97 2k7pA20 PRO 1834 HD2 -0.14 0.05 0.23 -0.04 3.68 3.78 2k7pA20 PRO 1834 HD3 -0.15 0.27 0.24 -0.04 3.65 3.98 2k7pA20 SER 1835 H 0.04 0.09 0.14 -0.55 8.46 8.18 2k7pA20 SER 1835 HA 0.02 0.15 0.55 -0.75 4.49 4.45 2k7pA20 SER 1835 HB2 0.04 -0.01 0.09 -0.04 3.95 4.03 2k7pA20 SER 1835 HB3 0.00 0.10 -0.19 -0.04 3.93 3.80 2k7pA20 GLU 1836 H 0.04 0.15 0.13 -0.55 8.60 8.38 2k7pA20 GLU 1836 HA 0.11 0.04 0.45 -0.75 4.29 4.14 2k7pA20 GLU 1836 HB2 0.09 -0.08 -0.32 -0.04 2.09 1.75 2k7pA20 GLU 1836 HB3 0.07 0.15 -0.07 -0.04 1.99 2.09 2k7pA20 GLU 1836 HG2 0.13 -0.08 0.11 -0.04 2.34 2.46 2k7pA20 GLU 1836 HG3 0.11 0.20 0.16 -0.04 2.34 2.76 2k7pA20 ALA 1837 H -0.09 0.09 0.08 -0.55 8.40 7.94 2k7pA20 ALA 1837 HA -0.32 0.11 0.41 -0.75 4.34 3.79 2k7pA20 ALA 1837 HB3 -0.47 -0.01 0.12 -0.04 1.41 1.01 2k7pA20 GLY 1838 H -0.57 0.59 0.35 -0.55 8.43 8.26 2k7pA20 GLY 1838 HA2 -0.17 0.00 0.36 -0.51 4.01 3.69 2k7pA20 GLY 1838 HA3 -0.17 0.15 0.78 -0.51 4.01 4.26 2k7pA20 LEU 1839 H -0.05 0.13 0.19 -0.55 8.37 8.10 2k7pA20 LEU 1839 HA 0.01 0.11 0.83 -0.75 4.35 4.56 2k7pA20 LEU 1839 HB2 0.22 -0.07 0.15 -0.04 1.64 1.90 2k7pA20 LEU 1839 HB3 -0.00 -0.03 0.23 -0.04 1.64 1.79 2k7pA20 LEU 1839 HG -0.02 0.08 -0.09 -0.04 1.64 1.57 2k7pA20 LEU 1839 HD13 0.21 0.01 -0.08 -0.04 0.93 1.04 2k7pA20 LEU 1839 HD23 -0.01 0.00 0.03 -0.04 0.89 0.87 2k7pA20 HIS 1840 H -0.39 0.72 0.48 -0.55 8.41 8.68 2k7pA20 HIS 1840 HA -0.36 0.20 0.79 -0.75 4.63 4.51 2k7pA20 HIS 1840 HB2 -2.09 0.04 0.05 -0.04 3.26 1.22 2k7pA20 HIS 1840 HB3 -0.87 -0.03 0.08 -0.04 3.20 2.34 2k7pA20 HIS 1840 HD2 -0.16 0.01 -0.24 -0.04 6.97 6.53 2k7pA20 HIS 1840 HE1 -0.22 0.03 -0.48 -0.04 7.75 7.03 2k7pA20 GLU 1841 H -0.15 0.34 0.33 -0.55 8.60 8.58 2k7pA20 GLU 1841 HA 0.08 0.17 0.81 -0.75 4.29 4.60 2k7pA20 GLU 1841 HB2 0.05 0.13 0.18 -0.04 2.09 2.41 2k7pA20 GLU 1841 HB3 -0.02 0.05 -0.04 -0.04 1.99 1.94 2k7pA20 GLU 1841 HG2 -0.05 -0.03 0.04 -0.04 2.34 2.26 2k7pA20 GLU 1841 HG3 0.02 -0.05 -0.15 -0.04 2.34 2.11 2k7pA20 MET 1842 H 0.19 0.71 0.34 -0.55 8.47 9.17 2k7pA20 MET 1842 HA 0.10 0.23 1.05 -0.75 4.52 5.14 2k7pA20 MET 1842 HB2 0.21 -0.02 -0.12 -0.04 2.15 2.18 2k7pA20 MET 1842 HB3 0.15 -0.03 0.05 -0.04 2.03 2.16 2k7pA20 MET 1842 HG2 0.02 0.07 -0.35 -0.04 2.63 2.34 2k7pA20 MET 1842 HG3 0.04 -0.01 -0.12 -0.04 2.56 2.42 2k7pA20 MET 1842 HE3 -0.03 0.00 -0.25 -0.04 2.10 1.78 2k7pA20 ASP 1843 H 0.05 0.82 0.43 -0.55 8.40 9.16 2k7pA20 ASP 1843 HA 0.11 0.08 0.81 -0.75 4.63 4.87 2k7pA20 ASP 1843 HB2 0.10 0.04 0.07 -0.04 2.71 2.88 2k7pA20 ASP 1843 HB3 0.04 -0.01 0.23 -0.04 2.70 2.93 2k7pA20 ILE 1844 H -0.32 0.27 0.16 -0.55 8.25 7.81 2k7pA20 ILE 1844 HA -0.15 0.24 0.74 -0.75 4.18 4.26 2k7pA20 ILE 1844 HB -0.21 -0.04 -0.02 -0.04 1.89 1.59 2k7pA20 ILE 1844 HG12 -0.07 -0.05 -0.59 -0.04 1.49 0.73 2k7pA20 ILE 1844 HG13 -0.11 -0.01 -0.21 -0.04 1.21 0.84 2k7pA20 ILE 1844 HG23 -0.20 0.00 -0.17 -0.04 0.93 0.53 2k7pA20 ILE 1844 HD13 -0.07 0.01 -0.11 -0.04 0.88 0.67 2k7pA20 ARG 1845 H -0.16 0.75 0.27 -0.55 8.46 8.76 2k7pA20 ARG 1845 HA -0.18 0.11 0.64 -0.75 4.34 4.15 2k7pA20 ARG 1845 HB2 -0.01 -0.08 -0.61 -0.04 1.90 1.16 2k7pA20 ARG 1845 HB3 -0.15 0.08 -0.49 -0.04 1.80 1.20 2k7pA20 ARG 1845 HG2 0.02 0.12 -0.28 -0.04 1.67 1.49 2k7pA20 ARG 1845 HG3 -0.10 -0.04 -0.40 -0.04 1.67 1.09 2k7pA20 ARG 1845 HD2 -0.07 0.08 -0.25 -0.04 3.22 2.94 2k7pA20 ARG 1845 HD3 -0.04 -0.16 -0.19 -0.04 3.22 2.78 2k7pA20 TYR 1846 H 0.07 0.77 0.19 -0.55 8.29 8.77 2k7pA20 TYR 1846 HA 0.00 0.15 0.98 -0.75 4.56 4.93 2k7pA20 TYR 1846 HB2 0.03 -0.04 0.05 -0.04 3.06 3.06 2k7pA20 TYR 1846 HB3 0.09 0.08 0.13 -0.04 2.98 3.24 2k7pA20 TYR 1846 HD2 0.18 0.02 -0.15 -0.04 7.15 7.15 2k7pA20 TYR 1846 HE2 0.10 0.05 -0.09 -0.04 6.85 6.87 2k7pA20 ASP 1847 H -0.22 0.65 0.34 -0.55 8.40 8.62 2k7pA20 ASP 1847 HA -0.03 0.03 0.35 -0.75 4.63 4.23 2k7pA20 ASP 1847 HB2 0.10 -0.07 0.08 -0.04 2.71 2.78 2k7pA20 ASP 1847 HB3 0.15 0.13 0.07 -0.04 2.70 3.02 2k7pA20 ASN 1848 H -0.01 0.08 -0.52 -0.55 8.53 7.54 2k7pA20 ASN 1848 HA 0.02 -0.02 0.05 -0.75 4.76 4.05 2k7pA20 ASN 1848 HB2 0.03 0.19 0.01 -0.04 2.88 3.07 2k7pA20 ASN 1848 HB3 0.03 -0.01 0.09 -0.04 2.79 2.86 2k7pA20 ASN 1848 HD21 0.01 0.10 -0.27 -0.04 7.03 6.83 2k7pA20 ASN 1848 HD22 -0.00 -0.01 -0.14 -0.04 7.74 7.55 2k7pA20 MET 1849 H 0.08 0.46 -0.54 -0.55 8.47 7.92 2k7pA20 MET 1849 HA 0.10 0.09 0.78 -0.75 4.52 4.74 2k7pA20 MET 1849 HB2 0.11 0.10 0.13 -0.04 2.15 2.44 2k7pA20 MET 1849 HB3 0.09 0.03 0.03 -0.04 2.03 2.13 2k7pA20 MET 1849 HG2 0.06 -0.01 -0.01 -0.04 2.63 2.63 2k7pA20 MET 1849 HG3 0.07 0.07 -0.14 -0.04 2.56 2.51 2k7pA20 MET 1849 HE3 0.10 0.02 0.03 -0.04 2.10 2.20 2k7pA20 HIS 1850 H 0.21 0.14 0.10 -0.55 8.41 8.31 2k7pA20 HIS 1850 HA -0.01 0.07 0.49 -0.75 4.63 4.43 2k7pA20 HIS 1850 HB2 0.02 -0.06 0.13 -0.04 3.26 3.31 2k7pA20 HIS 1850 HB3 0.01 0.21 -0.06 -0.04 3.20 3.31 2k7pA20 HIS 1850 HD2 0.01 -0.03 -0.09 -0.04 6.97 6.81 2k7pA20 HIS 1850 HE1 0.01 -0.05 0.06 -0.04 7.75 7.72 2k7pA20 ILE 1851 H -0.23 0.28 0.24 -0.55 8.25 7.99 2k7pA20 ILE 1851 HA -0.06 0.17 0.70 -0.75 4.18 4.23 2k7pA20 ILE 1851 HB -0.69 -0.01 0.06 -0.04 1.89 1.21 2k7pA20 ILE 1851 HG12 -0.30 0.09 -0.06 -0.04 1.49 1.18 2k7pA20 ILE 1851 HG13 -0.18 -0.11 -0.19 -0.04 1.21 0.69 2k7pA20 ILE 1851 HG23 -0.73 -0.01 -0.08 -0.04 0.93 0.07 2k7pA20 ILE 1851 HD13 -0.38 0.00 -0.16 -0.04 0.88 0.30 2k7pA20 PRO 1852 HA 0.09 0.15 0.25 -0.51 4.44 4.42 2k7pA20 PRO 1852 HB2 0.10 0.01 0.05 -0.04 2.28 2.41 2k7pA20 PRO 1852 HB3 0.09 0.04 0.13 -0.04 2.02 2.24 2k7pA20 PRO 1852 HG2 0.17 0.01 0.05 -0.04 2.03 2.22 2k7pA20 PRO 1852 HG3 0.16 0.06 0.09 -0.04 2.03 2.30 2k7pA20 PRO 1852 HD2 0.17 0.02 0.21 -0.04 3.68 4.03 2k7pA20 PRO 1852 HD3 0.15 0.19 0.22 -0.04 3.65 4.18 2k7pA20 GLY 1853 H 0.04 -0.02 -0.39 -0.55 8.43 7.52 2k7pA20 GLY 1853 HA2 0.18 0.16 0.52 -0.51 4.01 4.36 2k7pA20 GLY 1853 HA3 0.08 -0.08 0.21 -0.51 4.01 3.71 2k7pA20 SER 1854 H 0.07 0.45 -0.29 -0.55 8.46 8.15 2k7pA20 SER 1854 HA 0.11 0.17 0.65 -0.75 4.49 4.66 2k7pA20 SER 1854 HB2 -0.07 0.05 0.12 -0.04 3.95 4.01 2k7pA20 SER 1854 HB3 0.04 -0.10 0.15 -0.04 3.93 3.98 2k7pA20 PRO 1855 HA 0.18 0.05 0.49 -0.51 4.44 4.65 2k7pA20 PRO 1855 HB2 0.11 0.07 0.07 -0.04 2.28 2.48 2k7pA20 PRO 1855 HB3 0.19 -0.06 0.15 -0.04 2.02 2.26 2k7pA20 PRO 1855 HG2 0.06 0.04 -0.01 -0.04 2.03 2.09 2k7pA20 PRO 1855 HG3 0.01 -0.01 0.06 -0.04 2.03 2.05 2k7pA20 PRO 1855 HD2 0.06 0.12 0.32 -0.04 3.68 4.13 2k7pA20 PRO 1855 HD3 -0.04 0.03 0.21 -0.04 3.65 3.81 2k7pA20 LEU 1856 H 0.13 0.48 0.39 -0.55 8.37 8.82 2k7pA20 LEU 1856 HA 0.15 0.26 0.93 -0.75 4.35 4.94 2k7pA20 LEU 1856 HB2 0.16 -0.12 0.10 -0.04 1.64 1.74 2k7pA20 LEU 1856 HB3 0.20 0.03 0.03 -0.04 1.64 1.86 2k7pA20 LEU 1856 HG 0.10 -0.05 -0.23 -0.04 1.64 1.42 2k7pA20 LEU 1856 HD13 0.02 -0.05 -0.14 -0.04 0.93 0.72 2k7pA20 LEU 1856 HD23 0.19 0.03 0.09 -0.04 0.89 1.15 2k7pA20 GLN 1857 H 0.18 0.42 0.37 -0.55 8.47 8.89 2k7pA20 GLN 1857 HA 0.12 0.15 1.08 -0.75 4.36 4.95 2k7pA20 GLN 1857 HB2 0.08 -0.06 -0.01 -0.04 2.15 2.11 2k7pA20 GLN 1857 HB3 0.11 0.24 0.26 -0.04 2.02 2.59 2k7pA20 GLN 1857 HG2 0.09 -0.02 -0.09 -0.04 2.40 2.34 2k7pA20 GLN 1857 HG3 0.01 0.10 0.09 -0.04 2.39 2.55 2k7pA20 GLN 1857 HE21 0.01 0.00 -0.01 -0.04 6.97 6.93 2k7pA20 GLN 1857 HE22 0.02 -0.02 0.01 -0.04 7.69 7.65 2k7pA20 PHE 1858 H -0.16 0.63 0.28 -0.55 8.34 8.54 2k7pA20 PHE 1858 HA -0.01 0.14 0.76 -0.75 4.62 4.76 2k7pA20 PHE 1858 HB2 -0.39 0.01 -0.00 -0.04 3.15 2.73 2k7pA20 PHE 1858 HB3 -0.20 0.05 -0.33 -0.04 3.06 2.54 2k7pA20 PHE 1858 HD2 -0.52 0.05 -0.34 -0.04 7.28 6.42 2k7pA20 PHE 1858 HE2 -0.42 -0.01 -0.31 -0.04 7.38 6.59 2k7pA20 PHE 1858 HZ -0.68 -0.01 -0.21 -0.04 7.32 6.38 2k7pA20 TYR 1859 H 0.19 0.15 0.21 -0.55 8.29 8.30 2k7pA20 TYR 1859 HA -0.03 0.18 1.02 -0.75 4.56 4.97 2k7pA20 TYR 1859 HB2 0.37 0.01 0.07 -0.04 3.06 3.47 2k7pA20 TYR 1859 HB3 0.18 0.08 0.14 -0.04 2.98 3.33 2k7pA20 TYR 1859 HD2 0.12 -0.03 -0.17 -0.04 7.15 7.03 2k7pA20 TYR 1859 HE2 0.06 -0.09 -0.09 -0.04 6.85 6.69 2k7pA20 VAL 1860 H -0.83 0.63 0.38 -0.55 8.24 7.87 2k7pA20 VAL 1860 HA -0.15 0.13 0.86 -0.75 4.13 4.21 2k7pA20 VAL 1860 HB -0.38 0.03 0.14 -0.04 2.12 1.87 2k7pA20 VAL 1860 HG13 -0.20 -0.03 -0.02 -0.04 0.97 0.69 2k7pA20 VAL 1860 HG23 -0.43 0.02 -0.17 -0.04 0.95 0.32 2k7pA20 ASP 1861 H -0.17 0.26 0.25 -0.55 8.40 8.19 2k7pA20 ASP 1861 HA -0.33 0.03 0.64 -0.75 4.63 4.22 2k7pA20 ASP 1861 HB2 0.27 0.06 -0.27 -0.04 2.71 2.72 2k7pA20 ASP 1861 HB3 0.10 0.11 -0.04 -0.04 2.70 2.83 2k7pA20 TYR 1862 H -0.11 0.11 0.16 -0.55 8.29 7.90 2k7pA20 TYR 1862 HA 0.00 0.16 0.65 -0.75 4.56 4.62 2k7pA20 TYR 1862 HB2 0.03 -0.04 0.11 -0.04 3.06 3.12 2k7pA20 TYR 1862 HB3 0.01 0.02 0.24 -0.04 2.98 3.21 2k7pA20 TYR 1862 HD2 0.05 0.03 0.01 -0.04 7.15 7.19 2k7pA20 TYR 1862 HE2 0.04 0.06 -0.06 -0.04 6.85 6.84 2k7pA20 VAL 1863 H 0.13 0.48 0.26 -0.55 8.24 8.56 2k7pA20 VAL 1863 HA 0.04 0.17 0.64 -0.75 4.13 4.23 2k7pA20 VAL 1863 HB 0.03 0.05 0.07 -0.04 2.12 2.22 2k7pA20 VAL 1863 HG13 0.02 0.01 -0.16 -0.04 0.97 0.80 2k7pA20 VAL 1863 HG23 0.04 0.02 -0.01 -0.04 0.95 0.95 2k7pA20 ASN 1864 H 0.11 0.01 -0.10 -0.55 8.53 8.01 2k7pA20 ASN 1864 HA 0.02 0.16 0.37 -0.75 4.76 4.56 2k7pA20 ASN 1864 HB2 0.01 -0.04 0.06 -0.04 2.88 2.87 2k7pA20 ASN 1864 HB3 0.00 0.04 0.11 -0.04 2.79 2.91 2k7pA20 ASN 1864 HD21 0.00 0.02 0.02 -0.04 7.03 7.04 2k7pA20 ASN 1864 HD22 -0.00 0.04 0.06 -0.04 7.74 7.79 2k7pA20 CYS 1865 H 0.06 0.09 -0.45 -0.55 8.50 7.65 2k7pA20 CYS 1865 HA -0.03 -0.03 0.40 -0.75 4.58 4.17 2k7pA20 CYS 1865 HB2 -0.82 -0.04 0.03 -0.04 2.97 2.10 2k7pA20 CYS 1865 HB3 0.03 -0.11 0.07 -0.04 2.97 2.91 2k7pA20 GLY 1866 H -0.10 -0.00 0.20 -0.55 8.43 7.98 2k7pA20 GLY 1866 HA2 -0.04 0.18 0.73 -0.51 4.01 4.36 2k7pA20 GLY 1866 HA3 -0.01 0.01 0.30 -0.51 4.01 3.81 2k7pA20 HIS 1867 H -0.27 -0.11 0.07 -0.55 8.41 7.55 2k7pA20 HIS 1867 HA 0.01 0.10 0.44 -0.75 4.63 4.43 2k7pA20 HIS 1867 HB2 0.04 0.10 0.10 -0.04 3.26 3.46 2k7pA20 HIS 1867 HB3 0.04 -0.01 0.11 -0.04 3.20 3.28 2k7pA20 HIS 1867 HD2 0.09 0.28 -0.33 -0.04 6.97 6.96 2k7pA20 HIS 1867 HE1 0.15 -0.05 0.04 -0.04 7.75 7.85 2k7pA20 VAL 1868 H 0.12 0.09 0.13 -0.55 8.24 8.03 2k7pA20 VAL 1868 HA 0.09 0.16 0.52 -0.75 4.13 4.15 2k7pA20 VAL 1868 HB 0.11 -0.01 0.05 -0.04 2.12 2.23 2k7pA20 VAL 1868 HG13 0.20 0.02 -0.04 -0.04 0.97 1.11 2k7pA20 VAL 1868 HG23 -0.10 -0.01 0.05 -0.04 0.95 0.85 2k7pA20 THR 1869 H 0.13 0.30 0.32 -0.55 8.28 8.48 2k7pA20 THR 1869 HA 0.18 0.12 0.60 -0.75 4.39 4.53 2k7pA20 THR 1869 HB 0.31 0.10 -0.29 -0.04 4.32 4.40 2k7pA20 THR 1869 HG23 0.23 0.00 -0.15 -0.04 1.22 1.27 2k7pA20 ALA 1870 H 0.20 0.31 0.18 -0.55 8.40 8.55 2k7pA20 ALA 1870 HA -0.09 0.18 1.00 -0.75 4.34 4.68 2k7pA20 ALA 1870 HB3 0.01 0.01 -0.07 -0.04 1.41 1.32 2k7pA20 TYR 1871 H -0.26 0.69 0.40 -0.55 8.29 8.56 2k7pA20 TYR 1871 HA -0.11 0.09 0.62 -0.75 4.56 4.41 2k7pA20 TYR 1871 HB2 0.09 0.00 0.11 -0.04 3.06 3.22 2k7pA20 TYR 1871 HB3 0.09 0.17 -0.06 -0.04 2.98 3.13 2k7pA20 TYR 1871 HD2 0.10 0.01 -0.33 -0.04 7.15 6.88 2k7pA20 TYR 1871 HE2 0.07 0.00 -0.11 -0.04 6.85 6.77 2k7pA20 GLY 1872 H 0.21 0.26 0.25 -0.55 8.43 8.60 2k7pA20 GLY 1872 HA2 0.23 0.10 0.42 -0.51 4.01 4.25 2k7pA20 GLY 1872 HA3 0.20 0.05 0.89 -0.51 4.01 4.63 2k7pA20 PRO 1873 HA 0.13 0.13 0.55 -0.51 4.44 4.73 2k7pA20 PRO 1873 HB2 0.09 0.07 0.18 -0.04 2.28 2.58 2k7pA20 PRO 1873 HB3 0.05 0.03 0.26 -0.04 2.02 2.33 2k7pA20 PRO 1873 HG2 0.10 0.10 0.31 -0.04 2.03 2.49 2k7pA20 PRO 1873 HG3 0.06 0.02 0.18 -0.04 2.03 2.25 2k7pA20 PRO 1873 HD2 0.14 0.15 0.39 -0.04 3.68 4.32 2k7pA20 PRO 1873 HD3 0.11 0.13 0.29 -0.04 3.65 4.14 2k7pA20 GLY 1874 H 0.21 0.60 0.18 -0.55 8.43 8.87 2k7pA20 GLY 1874 HA2 0.18 0.34 0.46 -0.51 4.01 4.49 2k7pA20 GLY 1874 HA3 0.41 -0.03 0.10 -0.51 4.01 3.99 2k7pA20 LEU 1875 H -0.00 0.11 -0.52 -0.55 8.37 7.41 2k7pA20 LEU 1875 HA -0.38 0.08 0.43 -0.75 4.35 3.73 2k7pA20 LEU 1875 HB2 -0.27 0.03 -0.02 -0.04 1.64 1.34 2k7pA20 LEU 1875 HB3 -0.39 0.02 -0.01 -0.04 1.64 1.23 2k7pA20 LEU 1875 HG -2.09 -0.05 -0.21 -0.04 1.64 -0.74 2k7pA20 LEU 1875 HD13 -0.59 -0.01 -0.26 -0.04 0.93 0.03 2k7pA20 LEU 1875 HD23 -0.92 0.01 -0.07 -0.04 0.89 -0.14 2k7pA20 THR 1876 H 0.10 0.22 -0.39 -0.55 8.28 7.66 2k7pA20 THR 1876 HA 0.15 0.37 0.88 -0.75 4.39 5.03 2k7pA20 THR 1876 HB 0.21 0.06 0.21 -0.04 4.32 4.75 2k7pA20 THR 1876 HG23 0.28 -0.01 -0.10 -0.04 1.22 1.35 2k7pA20 HIS 1877 H 0.19 0.60 0.38 -0.55 8.41 9.03 2k7pA20 HIS 1877 HA 0.08 0.23 0.93 -0.75 4.63 5.11 2k7pA20 HIS 1877 HB2 0.06 0.01 -0.06 -0.04 3.26 3.24 2k7pA20 HIS 1877 HB3 0.05 -0.06 0.10 -0.04 3.20 3.25 2k7pA20 HIS 1877 HD2 0.05 0.17 0.20 -0.04 6.97 7.35 2k7pA20 HIS 1877 HE1 0.02 -0.09 -0.01 -0.04 7.75 7.63 2k7pA20 GLY 1878 H -0.69 0.66 0.35 -0.55 8.43 8.20 2k7pA20 GLY 1878 HA2 -0.25 0.10 0.61 -0.51 4.01 3.97 2k7pA20 GLY 1878 HA3 -0.23 0.01 0.30 -0.51 4.01 3.58 2k7pA20 VAL 1879 H -0.21 0.32 0.17 -0.55 8.24 7.96 2k7pA20 VAL 1879 HA -0.10 0.14 0.85 -0.75 4.13 4.27 2k7pA20 VAL 1879 HB -0.06 -0.00 0.02 -0.04 2.12 2.04 2k7pA20 VAL 1879 HG13 -0.00 0.04 -0.10 -0.04 0.97 0.87 2k7pA20 VAL 1879 HG23 0.05 -0.00 -0.17 -0.04 0.95 0.78 2k7pA20 VAL 1880 H -0.04 0.64 0.20 -0.55 8.24 8.50 2k7pA20 VAL 1880 HA -0.06 0.05 0.18 -0.75 4.13 3.55 2k7pA20 VAL 1880 HB 0.01 0.09 -0.20 -0.04 2.12 1.98 2k7pA20 VAL 1880 HG13 0.02 0.03 -0.39 -0.04 0.97 0.60 2k7pA20 VAL 1880 HG23 0.00 0.01 0.09 -0.04 0.95 1.01 2k7pA20 ASN 1881 H -0.04 0.62 0.27 -0.55 8.53 8.83 2k7pA20 ASN 1881 HA -0.02 0.03 0.35 -0.75 4.76 4.36 2k7pA20 ASN 1881 HB2 -0.01 0.12 -0.04 -0.04 2.88 2.90 2k7pA20 ASN 1881 HB3 -0.01 -0.04 0.15 -0.04 2.79 2.85 2k7pA20 ASN 1881 HD21 0.00 0.01 -0.23 -0.04 7.03 6.76 2k7pA20 ASN 1881 HD22 0.01 0.04 -0.06 -0.04 7.74 7.69 2k7pA20 LYS 1882 H -0.08 0.33 -0.52 -0.55 8.42 7.60 2k7pA20 LYS 1882 HA -0.05 0.13 0.83 -0.75 4.32 4.47 2k7pA20 LYS 1882 HB2 -0.07 -0.01 -0.04 -0.04 1.87 1.71 2k7pA20 LYS 1882 HB3 -0.05 0.01 0.00 -0.04 1.79 1.70 2k7pA20 LYS 1882 HG2 -0.03 0.01 -0.12 -0.04 1.46 1.28 2k7pA20 LYS 1882 HG3 -0.03 0.16 -0.19 -0.04 1.46 1.36 2k7pA20 LYS 1882 HD2 -0.02 -0.04 -0.07 -0.04 1.69 1.53 2k7pA20 LYS 1882 HD3 -0.02 -0.02 -0.04 -0.04 1.68 1.57 2k7pA20 LYS 1882 HE2 -0.01 0.00 -0.04 -0.04 2.99 2.90 2k7pA20 LYS 1882 HE3 -0.00 -0.01 -0.03 -0.04 2.99 2.91 2k7pA20 PRO 1883 HA -0.17 0.23 0.49 -0.51 4.44 4.48 2k7pA20 PRO 1883 HB2 -0.08 -0.02 -0.02 -0.04 2.28 2.12 2k7pA20 PRO 1883 HB3 -0.07 -0.00 0.00 -0.04 2.02 1.91 2k7pA20 PRO 1883 HG2 -0.06 0.00 0.14 -0.04 2.03 2.07 2k7pA20 PRO 1883 HG3 -0.05 0.01 0.06 -0.04 2.03 2.02 2k7pA20 PRO 1883 HD2 -0.05 0.07 0.22 -0.04 3.68 3.88 2k7pA20 PRO 1883 HD3 -0.05 0.16 0.17 -0.04 3.65 3.88 2k7pA20 ALA 1884 H -0.45 0.66 0.50 -0.55 8.40 8.57 2k7pA20 ALA 1884 HA -0.13 0.09 0.89 -0.75 4.34 4.43 2k7pA20 ALA 1884 HB3 -0.57 0.01 0.21 -0.04 1.41 1.02 2k7pA20 THR 1885 H 0.03 0.16 0.27 -0.55 8.28 8.19 2k7pA20 THR 1885 HA -0.04 0.33 1.00 -0.75 4.39 4.93 2k7pA20 THR 1885 HB -0.03 0.03 0.12 -0.04 4.32 4.40 2k7pA20 THR 1885 HG23 -0.06 0.02 -0.17 -0.04 1.22 0.97 2k7pA20 PHE 1886 H -0.19 0.61 0.39 -0.55 8.34 8.60 2k7pA20 PHE 1886 HA -0.00 0.06 0.60 -0.75 4.62 4.51 2k7pA20 PHE 1886 HB2 -0.04 0.13 -0.07 -0.04 3.15 3.12 2k7pA20 PHE 1886 HB3 0.03 -0.12 -0.15 -0.04 3.06 2.79 2k7pA20 PHE 1886 HD2 0.04 0.00 -0.45 -0.04 7.28 6.83 2k7pA20 PHE 1886 HE2 0.00 0.03 -0.28 -0.04 7.38 7.09 2k7pA20 PHE 1886 HZ -0.05 0.02 -0.21 -0.04 7.32 7.03 2k7pA20 THR 1887 H 0.10 0.66 0.41 -0.55 8.28 8.90 2k7pA20 THR 1887 HA -0.08 0.19 1.04 -0.75 4.39 4.78 2k7pA20 THR 1887 HB -0.37 0.05 0.12 -0.04 4.32 4.08 2k7pA20 THR 1887 HG23 -0.12 -0.01 -0.15 -0.04 1.22 0.90 2k7pA20 VAL 1888 H -0.06 0.80 0.41 -0.55 8.24 8.84 2k7pA20 VAL 1888 HA -0.04 0.19 1.00 -0.75 4.13 4.53 2k7pA20 VAL 1888 HB 0.02 -0.08 0.11 -0.04 2.12 2.13 2k7pA20 VAL 1888 HG13 0.10 0.02 -0.12 -0.04 0.97 0.93 2k7pA20 VAL 1888 HG23 0.10 0.01 -0.16 -0.04 0.95 0.86 2k7pA20 ASN 1889 H 0.02 0.77 0.37 -0.55 8.53 9.14 2k7pA20 ASN 1889 HA 0.03 0.06 0.86 -0.75 4.76 4.96 2k7pA20 ASN 1889 HB2 0.10 0.04 0.19 -0.04 2.88 3.18 2k7pA20 ASN 1889 HB3 0.07 0.01 0.03 -0.04 2.79 2.87 2k7pA20 ASN 1889 HD21 -0.17 -0.05 -0.20 -0.04 7.03 6.57 2k7pA20 ASN 1889 HD22 0.06 0.02 -0.14 -0.04 7.74 7.64 2k7pA20 THR 1890 H 0.05 0.47 0.37 -0.55 8.28 8.61 2k7pA20 THR 1890 HA 0.08 0.14 0.72 -0.75 4.39 4.57 2k7pA20 THR 1890 HB 0.17 0.00 -0.01 -0.04 4.32 4.44 2k7pA20 THR 1890 HG23 0.17 0.02 -0.31 -0.04 1.22 1.06 2k7pA20 LYS 1891 H 0.04 0.27 0.23 -0.55 8.42 8.40 2k7pA20 LYS 1891 HA 0.03 0.02 0.34 -0.75 4.32 3.94 2k7pA20 LYS 1891 HB2 0.03 0.12 0.29 -0.04 1.87 2.26 2k7pA20 LYS 1891 HB3 0.02 -0.00 0.15 -0.04 1.79 1.92 2k7pA20 LYS 1891 HG2 0.02 0.03 0.03 -0.04 1.46 1.50 2k7pA20 LYS 1891 HG3 0.01 0.02 -0.13 -0.04 1.46 1.32 2k7pA20 LYS 1891 HD2 0.02 -0.02 0.12 -0.04 1.69 1.77 2k7pA20 LYS 1891 HD3 0.02 0.02 0.05 -0.04 1.68 1.73 2k7pA20 LYS 1891 HE2 0.01 -0.00 0.01 -0.04 2.99 2.97 2k7pA20 LYS 1891 HE3 0.02 0.01 0.01 -0.04 2.99 2.99 2k7pA20 ASP 1892 H 0.00 0.11 -0.23 -0.55 8.40 7.73 2k7pA20 ASP 1892 HA -0.01 0.16 0.77 -0.75 4.63 4.80 2k7pA20 ASP 1892 HB2 -0.00 -0.04 -0.01 -0.04 2.71 2.62 2k7pA20 ASP 1892 HB3 -0.01 0.21 0.04 -0.04 2.70 2.90 2k7pA20 ALA 1893 H -0.03 0.33 -0.31 -0.55 8.40 7.83 2k7pA20 ALA 1893 HA -0.20 0.08 0.37 -0.75 4.34 3.84 2k7pA20 ALA 1893 HB3 -0.36 0.01 0.02 -0.04 1.41 1.04 2k7pA20 GLY 1894 H -0.04 0.15 -0.25 -0.55 8.43 7.74 2k7pA20 GLY 1894 HA2 -0.00 0.01 0.26 -0.51 4.01 3.78 2k7pA20 GLY 1894 HA3 -0.03 0.09 0.44 -0.51 4.01 4.00 2k7pA20 GLU 1895 H -0.01 0.45 0.31 -0.55 8.60 8.80 2k7pA20 GLU 1895 HA 0.22 -0.01 0.52 -0.75 4.29 4.27 2k7pA20 GLU 1895 HB2 0.06 0.13 -0.19 -0.04 2.09 2.06 2k7pA20 GLU 1895 HB3 0.05 0.03 -0.06 -0.04 1.99 1.97 2k7pA20 GLU 1895 HG2 0.05 0.04 -0.01 -0.04 2.34 2.38 2k7pA20 GLU 1895 HG3 0.07 0.01 -0.04 -0.04 2.34 2.34 2k7pA20 GLY 1896 H 0.17 -0.03 0.18 -0.55 8.43 8.20 2k7pA20 GLY 1896 HA2 0.09 0.04 0.32 -0.51 4.01 3.96 2k7pA20 GLY 1896 HA3 0.16 0.22 0.67 -0.51 4.01 4.56 2k7pA20 GLY 1897 H 0.12 -0.09 0.12 -0.55 8.43 8.03 2k7pA20 GLY 1897 HA2 -0.09 0.01 0.40 -0.51 4.01 3.82 2k7pA20 GLY 1897 HA3 -0.03 0.17 0.59 -0.51 4.01 4.22 2k7pA20 LEU 1898 H -0.38 0.09 0.16 -0.55 8.37 7.68 2k7pA20 LEU 1898 HA -0.67 0.19 0.83 -0.75 4.35 3.95 2k7pA20 LEU 1898 HB2 -0.99 -0.03 0.06 -0.04 1.64 0.63 2k7pA20 LEU 1898 HB3 -0.33 -0.04 0.11 -0.04 1.64 1.35 2k7pA20 LEU 1898 HG -0.15 -0.05 -0.07 -0.04 1.64 1.33 2k7pA20 LEU 1898 HD13 -0.10 0.00 -0.27 -0.04 0.93 0.51 2k7pA20 LEU 1898 HD23 -0.10 0.03 -0.01 -0.04 0.89 0.77 2k7pA20 SER 1899 H -0.15 0.75 0.38 -0.55 8.46 8.90 2k7pA20 SER 1899 HA -0.08 0.13 0.68 -0.75 4.49 4.46 2k7pA20 SER 1899 HB2 -0.07 0.01 -0.26 -0.04 3.95 3.60 2k7pA20 SER 1899 HB3 -0.06 -0.02 -0.10 -0.04 3.93 3.70 2k7pA20 LEU 1900 H -0.04 0.26 0.13 -0.55 8.37 8.17 2k7pA20 LEU 1900 HA 0.00 0.28 0.82 -0.75 4.35 4.70 2k7pA20 LEU 1900 HB2 -0.01 0.05 -0.36 -0.04 1.64 1.28 2k7pA20 LEU 1900 HB3 -0.02 -0.04 -0.12 -0.04 1.64 1.41 2k7pA20 LEU 1900 HG 0.02 0.00 -0.34 -0.04 1.64 1.28 2k7pA20 LEU 1900 HD13 0.16 0.04 -0.05 -0.04 0.93 1.04 2k7pA20 LEU 1900 HD23 -0.05 -0.01 -0.20 -0.04 0.89 0.60 2k7pA20 ALA 1901 H 0.02 0.59 0.32 -0.55 8.40 8.78 2k7pA20 ALA 1901 HA 0.01 0.10 0.51 -0.75 4.34 4.21 2k7pA20 ALA 1901 HB3 -0.00 0.02 -0.06 -0.04 1.41 1.32 2k7pA20 ILE 1902 H 0.01 0.25 0.14 -0.55 8.25 8.11 2k7pA20 ILE 1902 HA 0.00 0.32 0.74 -0.75 4.18 4.49 2k7pA20 ILE 1902 HB 0.01 -0.05 -0.03 -0.04 1.89 1.78 2k7pA20 ILE 1902 HG12 -0.12 0.07 -0.10 -0.04 1.49 1.31 2k7pA20 ILE 1902 HG13 -0.06 -0.11 -0.55 -0.04 1.21 0.45 2k7pA20 ILE 1902 HG23 0.06 0.00 -0.38 -0.04 0.93 0.57 2k7pA20 ILE 1902 HD13 -0.63 0.01 -0.22 -0.04 0.88 -0.00 2k7pA20 GLU 1903 H 0.02 0.75 0.19 -0.55 8.60 9.02 2k7pA20 GLU 1903 HA -0.01 0.09 0.84 -0.75 4.29 4.46 2k7pA20 GLU 1903 HB2 -0.01 0.01 0.17 -0.04 2.09 2.23 2k7pA20 GLU 1903 HB3 -0.02 0.05 0.03 -0.04 1.99 2.00 2k7pA20 GLU 1903 HG2 -0.00 0.03 -0.04 -0.04 2.34 2.29 2k7pA20 GLU 1903 HG3 0.00 -0.06 -0.20 -0.04 2.34 2.05 2k7pA20 GLY 1904 H -0.08 0.16 0.01 -0.55 8.43 7.97 2k7pA20 GLY 1904 HA2 -0.42 0.30 0.87 -0.51 4.01 4.24 2k7pA20 GLY 1904 HA3 -0.78 0.05 0.28 -0.51 4.01 3.05 2k7pA20 PRO 1905 HA -0.12 0.09 0.51 -0.51 4.44 4.40 2k7pA20 PRO 1905 HB2 -0.07 0.02 -0.00 -0.04 2.28 2.18 2k7pA20 PRO 1905 HB3 -0.11 0.02 0.11 -0.04 2.02 2.00 2k7pA20 PRO 1905 HG2 -0.20 -0.01 -0.06 -0.04 2.03 1.72 2k7pA20 PRO 1905 HG3 -0.13 0.04 -0.08 -0.04 2.03 1.82 2k7pA20 PRO 1905 HD2 -1.61 0.07 0.10 -0.04 3.68 2.20 2k7pA20 PRO 1905 HD3 -0.46 0.35 0.14 -0.04 3.65 3.63 2k7pA20 SER 1906 H -0.22 0.23 -0.17 -0.55 8.46 7.75 2k7pA20 SER 1906 HA -0.02 0.13 0.26 -0.75 4.49 4.11 2k7pA20 SER 1906 HB2 0.02 0.08 -0.06 -0.04 3.95 3.95 2k7pA20 SER 1906 HB3 0.08 -0.07 -0.08 -0.04 3.93 3.81 2k7pA20 LYS 1907 H 0.03 0.13 0.07 -0.55 8.42 8.10 2k7pA20 LYS 1907 HA 0.07 0.03 0.49 -0.75 4.32 4.16 2k7pA20 LYS 1907 HB2 0.04 -0.04 0.11 -0.04 1.87 1.94 2k7pA20 LYS 1907 HB3 0.05 0.14 -0.02 -0.04 1.79 1.92 2k7pA20 LYS 1907 HG2 0.02 0.06 0.07 -0.04 1.46 1.57 2k7pA20 LYS 1907 HG3 0.01 -0.04 0.04 -0.04 1.46 1.43 2k7pA20 LYS 1907 HD2 0.02 -0.03 0.03 -0.04 1.69 1.67 2k7pA20 LYS 1907 HD3 0.02 0.04 0.03 -0.04 1.68 1.73 2k7pA20 LYS 1907 HE2 0.01 0.03 0.03 -0.04 2.99 3.02 2k7pA20 LYS 1907 HE3 0.01 -0.01 0.02 -0.04 2.99 2.96 2k7pA20 ALA 1908 H 0.17 0.12 0.16 -0.55 8.40 8.30 2k7pA20 ALA 1908 HA 0.15 0.23 0.80 -0.75 4.34 4.77 2k7pA20 ALA 1908 HB3 0.22 -0.02 -0.14 -0.04 1.41 1.43 2k7pA20 GLU 1909 H 0.09 0.47 0.25 -0.55 8.60 8.87 2k7pA20 GLU 1909 HA 0.05 0.13 0.82 -0.75 4.29 4.53 2k7pA20 GLU 1909 HB2 0.04 -0.00 0.14 -0.04 2.09 2.23 2k7pA20 GLU 1909 HB3 0.03 0.02 0.03 -0.04 1.99 2.03 2k7pA20 GLU 1909 HG2 0.03 0.02 0.01 -0.04 2.34 2.36 2k7pA20 GLU 1909 HG3 0.04 0.03 -0.03 -0.04 2.34 2.35 2k7pA20 ILE 1910 H 0.04 0.21 0.17 -0.55 8.25 8.12 2k7pA20 ILE 1910 HA 0.08 0.25 0.97 -0.75 4.18 4.73 2k7pA20 ILE 1910 HB 0.02 -0.02 -0.01 -0.04 1.89 1.84 2k7pA20 ILE 1910 HG12 0.06 0.03 -0.32 -0.04 1.49 1.22 2k7pA20 ILE 1910 HG13 0.06 0.01 -0.52 -0.04 1.21 0.72 2k7pA20 ILE 1910 HG23 0.02 0.01 -0.18 -0.04 0.93 0.73 2k7pA20 ILE 1910 HD13 0.02 -0.00 -0.13 -0.04 0.88 0.72 2k7pA20 SER 1911 H 0.00 0.80 0.40 -0.55 8.46 9.11 2k7pA20 SER 1911 HA -0.02 0.12 0.70 -0.75 4.49 4.54 2k7pA20 SER 1911 HB2 -0.03 -0.02 -0.00 -0.04 3.95 3.86 2k7pA20 SER 1911 HB3 -0.03 -0.00 0.05 -0.04 3.93 3.90 2k7pA20 CYS 1912 H -0.04 0.26 0.21 -0.55 8.50 8.38 2k7pA20 CYS 1912 HA -0.09 0.15 0.72 -0.75 4.58 4.61 2k7pA20 CYS 1912 HB2 -0.09 0.07 0.07 -0.04 2.97 2.99 2k7pA20 CYS 1912 HB3 -0.10 0.04 -0.14 -0.04 2.97 2.73 2k7pA20 THR 1913 H -0.07 0.69 0.26 -0.55 8.28 8.61 2k7pA20 THR 1913 HA -0.03 0.10 0.84 -0.75 4.39 4.54 2k7pA20 THR 1913 HB -0.04 -0.05 0.04 -0.04 4.32 4.22 2k7pA20 THR 1913 HG23 -0.02 0.01 -0.12 -0.04 1.22 1.05 2k7pA20 ASP 1914 H -0.02 0.17 0.18 -0.55 8.40 8.18 2k7pA20 ASP 1914 HA -0.01 0.09 0.85 -0.75 4.63 4.80 2k7pA20 ASP 1914 HB2 -0.01 -0.01 0.11 -0.04 2.71 2.76 2k7pA20 ASP 1914 HB3 -0.01 -0.01 0.16 -0.04 2.70 2.81 2k7pA20 ASN 1915 H -0.00 0.68 0.46 -0.55 8.53 9.12 2k7pA20 ASN 1915 HA -0.00 0.15 0.74 -0.75 4.76 4.89 2k7pA20 ASN 1915 HB2 0.00 -0.06 0.12 -0.04 2.88 2.90 2k7pA20 ASN 1915 HB3 -0.00 -0.11 0.12 -0.04 2.79 2.76 2k7pA20 ASN 1915 HD21 -0.01 -0.06 -0.20 -0.04 7.03 6.72 2k7pA20 ASN 1915 HD22 -0.03 0.01 -0.07 -0.04 7.74 7.61 2k7pA20 GLN 1916 H 0.00 0.18 0.19 -0.55 8.47 8.30 2k7pA20 GLN 1916 HA 0.01 0.15 0.58 -0.75 4.36 4.35 2k7pA20 GLN 1916 HB2 0.01 -0.01 0.12 -0.04 2.15 2.22 2k7pA20 GLN 1916 HB3 0.01 0.05 0.11 -0.04 2.02 2.15 2k7pA20 GLN 1916 HG2 0.00 0.03 0.05 -0.04 2.40 2.44 2k7pA20 GLN 1916 HG3 0.01 0.04 0.06 -0.04 2.39 2.45 2k7pA20 GLN 1916 HE21 0.00 0.01 0.07 -0.04 6.97 7.01 2k7pA20 GLN 1916 HE22 -0.00 0.05 0.07 -0.04 7.69 7.76 2k7pA20 ASP 1917 H 0.01 0.00 -0.22 -0.55 8.40 7.64 2k7pA20 ASP 1917 HA 0.02 0.15 0.40 -0.75 4.63 4.43 2k7pA20 ASP 1917 HB2 0.01 -0.05 -0.01 -0.04 2.71 2.63 2k7pA20 ASP 1917 HB3 0.02 0.07 0.08 -0.04 2.70 2.82 2k7pA20 GLY 1918 H 0.02 0.22 -0.53 -0.55 8.43 7.59 2k7pA20 GLY 1918 HA2 0.03 0.09 0.24 -0.51 4.01 3.85 2k7pA20 GLY 1918 HA3 0.03 0.13 0.64 -0.51 4.01 4.30 2k7pA20 THR 1919 H 0.02 0.12 0.03 -0.55 8.28 7.90 2k7pA20 THR 1919 HA 0.02 0.06 0.90 -0.75 4.39 4.62 2k7pA20 THR 1919 HB -0.02 0.14 0.00 -0.04 4.32 4.40 2k7pA20 THR 1919 HG23 0.02 0.02 -0.23 -0.04 1.22 0.98 2k7pA20 CYS 1920 H -0.00 0.78 0.35 -0.55 8.50 9.09 2k7pA20 CYS 1920 HA -0.02 0.17 0.94 -0.75 4.58 4.91 2k7pA20 CYS 1920 HB2 -0.00 -0.04 0.01 -0.04 2.97 2.91 2k7pA20 CYS 1920 HB3 -0.01 -0.01 0.10 -0.04 2.97 3.00 2k7pA20 SER 1921 H -0.05 0.72 0.34 -0.55 8.46 8.92 2k7pA20 SER 1921 HA -0.11 0.19 0.99 -0.75 4.49 4.80 2k7pA20 SER 1921 HB2 -0.05 -0.05 0.10 -0.04 3.95 3.91 2k7pA20 SER 1921 HB3 -0.06 -0.03 0.11 -0.04 3.93 3.91 2k7pA20 VAL 1922 H -0.27 0.62 0.42 -0.55 8.24 8.47 2k7pA20 VAL 1922 HA -0.24 0.18 0.98 -0.75 4.13 4.30 2k7pA20 VAL 1922 HB -1.54 -0.06 -0.05 -0.04 2.12 0.43 2k7pA20 VAL 1922 HG13 -0.46 0.03 -0.14 -0.04 0.97 0.35 2k7pA20 VAL 1922 HG23 -0.26 -0.01 -0.30 -0.04 0.95 0.35 2k7pA20 SER 1923 H -0.14 0.76 0.36 -0.55 8.46 8.90 2k7pA20 SER 1923 HA -0.08 0.31 0.79 -0.75 4.49 4.75 2k7pA20 SER 1923 HB2 -0.07 0.03 0.01 -0.04 3.95 3.88 2k7pA20 SER 1923 HB3 -0.08 -0.01 -0.08 -0.04 3.93 3.72 2k7pA20 TYR 1924 H -0.10 0.61 0.35 -0.55 8.29 8.60 2k7pA20 TYR 1924 HA -0.02 0.20 0.79 -0.75 4.56 4.77 2k7pA20 TYR 1924 HB2 0.02 0.04 -0.02 -0.04 3.06 3.06 2k7pA20 TYR 1924 HB3 0.02 -0.02 -0.23 -0.04 2.98 2.71 2k7pA20 TYR 1924 HD2 0.05 -0.05 -0.31 -0.04 7.15 6.81 2k7pA20 TYR 1924 HE2 -0.02 -0.03 -0.18 -0.04 6.85 6.58 2k7pA20 LEU 1925 H 0.12 0.67 0.25 -0.55 8.37 8.86 2k7pA20 LEU 1925 HA -0.12 0.29 0.77 -0.75 4.35 4.53 2k7pA20 LEU 1925 HB2 0.02 -0.06 0.17 -0.04 1.64 1.73 2k7pA20 LEU 1925 HB3 -0.01 0.03 0.01 -0.04 1.64 1.63 2k7pA20 LEU 1925 HG -0.05 -0.06 -0.35 -0.04 1.64 1.13 2k7pA20 LEU 1925 HD13 -0.01 -0.01 -0.09 -0.04 0.93 0.78 2k7pA20 LEU 1925 HD23 -0.06 0.05 -0.36 -0.04 0.89 0.48 2k7pA20 PRO 1926 HA 0.06 0.11 0.65 -0.51 4.44 4.75 2k7pA20 PRO 1926 HB2 -0.40 0.03 -0.05 -0.04 2.28 1.81 2k7pA20 PRO 1926 HB3 -0.53 0.05 -0.01 -0.04 2.02 1.49 2k7pA20 PRO 1926 HG2 -0.18 -0.02 -0.20 -0.04 2.03 1.58 2k7pA20 PRO 1926 HG3 -0.27 0.02 -0.07 -0.04 2.03 1.67 2k7pA20 PRO 1926 HD2 -0.20 0.29 0.31 -0.04 3.68 4.05 2k7pA20 PRO 1926 HD3 -0.39 0.16 -0.02 -0.04 3.65 3.36 2k7pA20 VAL 1927 H 0.17 0.16 0.07 -0.55 8.24 8.10 2k7pA20 VAL 1927 HA 0.04 0.13 0.75 -0.75 4.13 4.29 2k7pA20 VAL 1927 HB 0.05 -0.00 0.06 -0.04 2.12 2.19 2k7pA20 VAL 1927 HG13 0.05 0.03 -0.15 -0.04 0.97 0.86 2k7pA20 VAL 1927 HG23 0.11 0.02 -0.13 -0.04 0.95 0.90 2k7pA20 LEU 1928 H 0.19 0.15 0.06 -0.55 8.37 8.23 2k7pA20 LEU 1928 HA 0.07 0.10 0.49 -0.75 4.35 4.25 2k7pA20 LEU 1928 HB2 0.06 0.05 0.08 -0.04 1.64 1.79 2k7pA20 LEU 1928 HB3 0.07 0.08 -0.21 -0.04 1.64 1.54 2k7pA20 LEU 1928 HG 0.14 -0.15 -0.14 -0.04 1.64 1.45 2k7pA20 LEU 1928 HD13 0.06 0.01 -0.28 -0.04 0.93 0.68 2k7pA20 LEU 1928 HD23 0.04 0.01 -0.16 -0.04 0.89 0.73 2k7pA20 PRO 1929 HA 0.11 0.06 0.15 -0.51 4.44 4.25 2k7pA20 PRO 1929 HB2 0.07 0.14 0.02 -0.04 2.28 2.47 2k7pA20 PRO 1929 HB3 0.06 -0.14 -0.14 -0.04 2.02 1.75 2k7pA20 PRO 1929 HG2 0.06 0.07 0.10 -0.04 2.03 2.21 2k7pA20 PRO 1929 HG3 0.05 -0.02 0.07 -0.04 2.03 2.08 2k7pA20 PRO 1929 HD2 0.06 0.11 0.18 -0.04 3.68 4.00 2k7pA20 PRO 1929 HD3 0.05 0.06 0.10 -0.04 3.65 3.82 2k7pA20 GLY 1930 H 0.17 0.44 0.33 -0.55 8.43 8.82 2k7pA20 GLY 1930 HA2 0.09 0.05 0.38 -0.51 4.01 4.02 2k7pA20 GLY 1930 HA3 0.09 0.07 0.49 -0.51 4.01 4.16 2k7pA20 ASP 1931 H 0.04 0.13 0.17 -0.55 8.40 8.20 2k7pA20 ASP 1931 HA 0.17 0.26 0.84 -0.75 4.63 5.14 2k7pA20 ASP 1931 HB2 0.06 0.04 -0.05 -0.04 2.71 2.73 2k7pA20 ASP 1931 HB3 0.06 0.02 0.02 -0.04 2.70 2.77 2k7pA20 TYR 1932 H 0.28 0.79 0.32 -0.55 8.29 9.13 2k7pA20 TYR 1932 HA 0.01 0.17 0.88 -0.75 4.56 4.86 2k7pA20 TYR 1932 HB2 0.04 0.09 0.07 -0.04 3.06 3.22 2k7pA20 TYR 1932 HB3 -0.03 -0.05 -0.16 -0.04 2.98 2.70 2k7pA20 TYR 1932 HD2 0.03 0.04 -0.29 -0.04 7.15 6.89 2k7pA20 TYR 1932 HE2 0.05 0.09 -0.10 -0.04 6.85 6.85 2k7pA20 SER 1933 H 0.03 0.77 0.26 -0.55 8.46 8.97 2k7pA20 SER 1933 HA 0.06 0.24 0.67 -0.75 4.49 4.70 2k7pA20 SER 1933 HB2 0.01 -0.04 0.19 -0.04 3.95 4.07 2k7pA20 SER 1933 HB3 0.02 -0.00 -0.11 -0.04 3.93 3.79 2k7pA20 ILE 1934 H 0.06 0.83 0.40 -0.55 8.25 8.99 2k7pA20 ILE 1934 HA 0.00 0.14 0.81 -0.75 4.18 4.37 2k7pA20 ILE 1934 HB -0.00 0.05 0.18 -0.04 1.89 2.07 2k7pA20 ILE 1934 HG12 -0.36 -0.02 -0.11 -0.04 1.49 0.96 2k7pA20 ILE 1934 HG13 -0.22 -0.05 -0.11 -0.04 1.21 0.80 2k7pA20 ILE 1934 HG23 -0.06 -0.03 -0.23 -0.04 0.93 0.57 2k7pA20 ILE 1934 HD13 -0.10 0.02 -0.10 -0.04 0.88 0.66 2k7pA20 LEU 1935 H 0.03 0.76 0.33 -0.55 8.37 8.94 2k7pA20 LEU 1935 HA -0.02 0.06 0.81 -0.75 4.35 4.46 2k7pA20 LEU 1935 HB2 -0.00 0.05 -0.13 -0.04 1.64 1.52 2k7pA20 LEU 1935 HB3 -0.02 -0.07 0.03 -0.04 1.64 1.53 2k7pA20 LEU 1935 HG -0.27 0.04 -0.11 -0.04 1.64 1.26 2k7pA20 LEU 1935 HD13 0.05 0.00 -0.14 -0.04 0.93 0.80 2k7pA20 LEU 1935 HD23 -0.26 -0.02 -0.45 -0.04 0.89 0.12 2k7pA20 VAL 1936 H -0.04 0.22 0.11 -0.55 8.24 7.99 2k7pA20 VAL 1936 HA 0.02 0.23 0.84 -0.75 4.13 4.46 2k7pA20 VAL 1936 HB 0.24 -0.02 0.02 -0.04 2.12 2.33 2k7pA20 VAL 1936 HG13 0.11 0.01 -0.12 -0.04 0.97 0.93 2k7pA20 VAL 1936 HG23 0.20 0.01 -0.24 -0.04 0.95 0.88 2k7pA20 LYS 1937 H -0.04 0.57 0.16 -0.55 8.42 8.56 2k7pA20 LYS 1937 HA -0.02 0.20 0.79 -0.75 4.32 4.54 2k7pA20 LYS 1937 HB2 -0.42 0.03 -0.48 -0.04 1.87 0.96 2k7pA20 LYS 1937 HB3 -0.14 -0.05 -0.28 -0.04 1.79 1.29 2k7pA20 LYS 1937 HG2 0.04 0.12 -0.55 -0.04 1.46 1.03 2k7pA20 LYS 1937 HG3 0.03 0.02 -0.46 -0.04 1.46 1.01 2k7pA20 LYS 1937 HD2 -0.02 -0.01 -0.42 -0.04 1.69 1.21 2k7pA20 LYS 1937 HD3 0.03 -0.13 -0.27 -0.04 1.68 1.27 2k7pA20 LYS 1937 HE2 0.01 0.05 -0.22 -0.04 2.99 2.79 2k7pA20 LYS 1937 HE3 -0.05 -0.03 -0.24 -0.04 2.99 2.62 2k7pA20 TYR 1938 H 0.13 0.78 0.15 -0.55 8.29 8.80 2k7pA20 TYR 1938 HA 0.01 0.21 0.83 -0.75 4.56 4.85 2k7pA20 TYR 1938 HB2 0.02 -0.06 -0.19 -0.04 3.06 2.80 2k7pA20 TYR 1938 HB3 0.03 0.06 0.01 -0.04 2.98 3.03 2k7pA20 TYR 1938 HD2 0.02 0.06 -0.27 -0.04 7.15 6.92 2k7pA20 TYR 1938 HE2 0.01 -0.13 -0.28 -0.04 6.85 6.42 2k7pA20 ASN 1939 H 0.17 0.65 0.04 -0.55 8.53 8.84 2k7pA20 ASN 1939 HA 0.11 0.21 0.41 -0.75 4.76 4.73 2k7pA20 ASN 1939 HB2 0.23 -0.10 -0.12 -0.04 2.88 2.85 2k7pA20 ASN 1939 HB3 0.12 0.09 -0.05 -0.04 2.79 2.90 2k7pA20 ASN 1939 HD21 0.08 0.38 0.25 -0.04 7.03 7.70 2k7pA20 ASN 1939 HD22 0.05 -0.07 0.09 -0.04 7.74 7.77 2k7pA20 GLU 1940 H 0.06 0.10 -0.10 -0.55 8.60 8.12 2k7pA20 GLU 1940 HA 0.06 -0.03 0.16 -0.75 4.29 3.72 2k7pA20 GLU 1940 HB2 0.04 -0.02 0.13 -0.04 2.09 2.19 2k7pA20 GLU 1940 HB3 0.04 -0.04 -0.03 -0.04 1.99 1.91 2k7pA20 GLU 1940 HG2 0.04 0.05 -0.31 -0.04 2.34 2.08 2k7pA20 GLU 1940 HG3 0.04 0.06 -0.02 -0.04 2.34 2.38 2k7pA20 GLN 1941 H 0.09 0.35 -0.76 -0.55 8.47 7.60 2k7pA20 GLN 1941 HA 0.09 0.08 0.84 -0.75 4.36 4.61 2k7pA20 GLN 1941 HB2 0.07 0.13 0.11 -0.04 2.15 2.41 2k7pA20 GLN 1941 HB3 0.05 0.03 -0.00 -0.04 2.02 2.06 2k7pA20 GLN 1941 HG2 0.03 -0.03 -0.02 -0.04 2.40 2.34 2k7pA20 GLN 1941 HG3 0.04 0.13 -0.13 -0.04 2.39 2.40 2k7pA20 GLN 1941 HE21 0.01 0.00 0.02 -0.04 6.97 6.96 2k7pA20 GLN 1941 HE22 0.01 -0.05 0.02 -0.04 7.69 7.63 2k7pA20 HIS 1942 H 0.21 0.14 0.08 -0.55 8.41 8.30 2k7pA20 HIS 1942 HA 0.00 0.05 0.65 -0.75 4.63 4.58 2k7pA20 HIS 1942 HB2 -0.06 -0.03 0.08 -0.04 3.26 3.21 2k7pA20 HIS 1942 HB3 -0.10 0.17 -0.01 -0.04 3.20 3.22 2k7pA20 HIS 1942 HD2 -0.01 -0.05 -0.17 -0.04 6.97 6.69 2k7pA20 HIS 1942 HE1 -0.04 -0.01 -0.12 -0.04 7.75 7.53 2k7pA20 VAL 1943 H 0.02 0.46 0.27 -0.55 8.24 8.45 2k7pA20 VAL 1943 HA 0.04 0.15 0.55 -0.75 4.13 4.12 2k7pA20 VAL 1943 HB 0.10 0.11 -0.04 -0.04 2.12 2.24 2k7pA20 VAL 1943 HG13 0.12 -0.02 -0.25 -0.04 0.97 0.78 2k7pA20 VAL 1943 HG23 0.18 0.02 -0.13 -0.04 0.95 0.99 2k7pA20 PRO 1944 HA -0.18 0.06 0.43 -0.51 4.44 4.24 2k7pA20 PRO 1944 HB2 -0.16 -0.01 0.05 -0.04 2.28 2.11 2k7pA20 PRO 1944 HB3 -0.12 0.03 0.14 -0.04 2.02 2.03 2k7pA20 PRO 1944 HG2 -0.03 -0.03 0.16 -0.04 2.03 2.09 2k7pA20 PRO 1944 HG3 -0.20 -0.00 0.11 -0.04 2.03 1.89 2k7pA20 PRO 1944 HD2 0.05 0.29 0.33 -0.04 3.68 4.31 2k7pA20 PRO 1944 HD3 -0.06 0.13 0.23 -0.04 3.65 3.92 2k7pA20 GLY 1945 H -0.28 0.16 0.16 -0.55 8.43 7.93 2k7pA20 GLY 1945 HA2 -0.20 -0.01 0.32 -0.51 4.01 3.60 2k7pA20 GLY 1945 HA3 -0.56 0.08 0.60 -0.51 4.01 3.62 2k7pA20 SER 1946 H -0.55 0.40 -0.33 -0.55 8.46 7.44 2k7pA20 SER 1946 HA -1.40 -0.01 0.41 -0.75 4.49 2.74 2k7pA20 SER 1946 HB2 -0.30 -0.04 0.08 -0.04 3.95 3.65 2k7pA20 SER 1946 HB3 -0.13 0.12 0.13 -0.04 3.93 4.01 2k7pA20 PRO 1947 HA -0.18 0.06 0.53 -0.51 4.44 4.33 2k7pA20 PRO 1947 HB2 -0.01 0.02 -0.19 -0.04 2.28 2.06 2k7pA20 PRO 1947 HB3 0.01 -0.07 -0.05 -0.04 2.02 1.86 2k7pA20 PRO 1947 HG2 -0.05 0.03 0.02 -0.04 2.03 1.99 2k7pA20 PRO 1947 HG3 -0.00 -0.01 0.01 -0.04 2.03 1.98 2k7pA20 PRO 1947 HD2 -0.09 0.10 0.34 -0.04 3.68 3.99 2k7pA20 PRO 1947 HD3 0.03 0.03 0.10 -0.04 3.65 3.77 2k7pA20 PHE 1948 H 0.16 0.58 0.31 -0.55 8.34 8.84 2k7pA20 PHE 1948 HA -0.00 0.15 0.79 -0.75 4.62 4.80 2k7pA20 PHE 1948 HB2 -0.09 -0.04 0.11 -0.04 3.15 3.09 2k7pA20 PHE 1948 HB3 -0.01 0.09 0.02 -0.04 3.06 3.12 2k7pA20 PHE 1948 HD2 -0.03 0.03 -0.05 -0.04 7.28 7.19 2k7pA20 PHE 1948 HE2 -0.12 -0.04 -0.06 -0.04 7.38 7.11 2k7pA20 PHE 1948 HZ -0.12 -0.00 -0.13 -0.04 7.32 7.03 2k7pA20 THR 1949 H 0.13 0.15 0.15 -0.55 8.28 8.16 2k7pA20 THR 1949 HA 0.09 0.15 0.72 -0.75 4.39 4.60 2k7pA20 THR 1949 HB 0.07 -0.02 0.12 -0.04 4.32 4.45 2k7pA20 THR 1949 HG23 0.07 -0.01 -0.24 -0.04 1.22 1.00 2k7pA20 ALA 1950 H 0.11 0.65 0.37 -0.55 8.40 8.98 2k7pA20 ALA 1950 HA 0.12 0.30 0.66 -0.75 4.34 4.67 2k7pA20 ALA 1950 HB3 0.10 -0.03 -0.29 -0.04 1.41 1.15 2k7pA20 ARG 1951 H 0.14 0.56 0.30 -0.55 8.46 8.91 2k7pA20 ARG 1951 HA 0.14 0.11 0.89 -0.75 4.34 4.73 2k7pA20 ARG 1951 HB2 0.13 0.03 0.10 -0.04 1.90 2.12 2k7pA20 ARG 1951 HB3 0.18 0.06 0.27 -0.04 1.80 2.26 2k7pA20 ARG 1951 HG2 0.13 -0.04 -0.23 -0.04 1.67 1.49 2k7pA20 ARG 1951 HG3 0.11 -0.08 -0.07 -0.04 1.67 1.59 2k7pA20 ARG 1951 HD2 0.11 -0.03 -0.21 -0.04 3.22 3.05 2k7pA20 ARG 1951 HD3 0.14 0.11 -0.53 -0.04 3.22 2.90 2k7pA20 VAL 1952 H 0.13 0.78 0.40 -0.55 8.24 9.00 2k7pA20 VAL 1952 HA -0.18 0.08 0.66 -0.75 4.13 3.93 2k7pA20 VAL 1952 HB 0.10 0.01 0.13 -0.04 2.12 2.32 2k7pA20 VAL 1952 HG13 -0.11 -0.05 -0.40 -0.04 0.97 0.36 2k7pA20 VAL 1952 HG23 -0.41 -0.00 -0.16 -0.04 0.95 0.34 2k7pA20 THR 1953 H -0.13 0.49 0.20 -0.55 8.28 8.30 2k7pA20 THR 1953 HA 0.06 0.15 0.81 -0.75 4.39 4.66 2k7pA20 THR 1953 HB 0.11 0.01 0.04 -0.04 4.32 4.43 2k7pA20 THR 1953 HG23 0.20 0.04 -0.19 -0.04 1.22 1.23 2k7pA20 GLY 1954 H 0.06 0.20 0.17 -0.55 8.43 8.31 2k7pA20 GLY 1954 HA2 0.02 0.03 0.64 -0.51 4.01 4.20 2k7pA20 GLY 1954 HA3 0.04 0.04 0.34 -0.51 4.01 3.92 2k7pA20 ASP 1955 H 0.01 0.15 0.18 -0.55 8.40 8.20 2k7pA20 ASP 1955 HA 0.02 0.19 0.60 -0.75 4.63 4.69 2k7pA20 ASP 1955 HB2 0.00 0.06 0.07 -0.04 2.71 2.80 2k7pA20 ASP 1955 HB3 0.00 -0.01 0.05 -0.04 2.70 2.70 2k7pA20 ASP 1956 H 0.02 -0.06 -0.18 -0.55 8.40 7.63 2k7pA20 ASP 1956 HA 0.01 0.18 0.37 -0.75 4.63 4.43 2k7pA20 ASP 1956 HB2 0.00 0.13 -0.21 -0.04 2.71 2.60 2k7pA20 ASP 1956 HB3 0.01 -0.03 -0.06 -0.04 2.70 2.58