============================================================================= 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 2.734 25.221 -29.199 -99.200 -91.000 PHE 29 1.000 -1.049 32.370 -43.644 -99.200 -91.000 TYR 64 0.840 4.385 30.132 -24.778 -99.200 -91.000 HIS 72 0.900 0.058 26.366 -21.356 -99.200 -91.000 TYR 78 0.840 -1.841 37.833 -43.784 -99.200 -91.000 HIS 82 0.900 -9.322 33.440 -34.692 -99.200 -91.000 PHE 90 1.000 1.904 24.103 -26.085 -99.200 -91.000 TYR 91 0.840 0.004 18.578 -19.966 -99.200 -91.000 TYR 94 0.840 7.322 20.234 -14.690 -99.200 -91.000 HIS 99 0.900 5.174 13.522 -15.791 -99.200 -91.000 TYR 103 0.840 7.663 14.962 -26.475 -99.200 -91.000 HIS 109 0.900 -1.515 22.898 -38.703 -99.200 -91.000 PHE 118 1.000 0.257 12.053 -32.094 -99.200 -91.000 TYR 156 0.840 -3.343 12.909 -37.283 -99.200 -91.000 TYR 164 0.840 -9.727 15.164 -38.243 -99.200 -91.000 TYR 170 0.840 2.212 2.112 -21.436 -99.200 -91.000 HIS 174 0.900 -8.045 9.069 -21.700 -99.200 -91.000 PHE 180 1.000 -2.450 15.197 -25.606 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2k7pA21 GLY -3 HA2 0.00 -0.07 0.22 -0.51 4.01 3.66 2k7pA21 GLY -3 HA3 0.00 -0.04 0.15 -0.51 4.01 3.60 2k7pA21 ALA -2 H 0.00 0.10 0.09 -0.55 8.40 8.04 2k7pA21 ALA -2 HA 0.00 0.16 0.35 -0.75 4.34 4.10 2k7pA21 ALA -2 HB3 0.00 -0.00 0.09 -0.04 1.41 1.46 2k7pA21 MET -1 H 0.00 0.03 -0.44 -0.55 8.47 7.51 2k7pA21 MET -1 HA 0.00 0.03 0.32 -0.75 4.52 4.12 2k7pA21 MET -1 HB2 0.00 0.05 -0.05 -0.04 2.15 2.12 2k7pA21 MET -1 HB3 0.00 -0.00 0.07 -0.04 2.03 2.05 2k7pA21 MET -1 HG2 0.00 0.01 -0.00 -0.04 2.63 2.60 2k7pA21 MET -1 HG3 0.00 -0.00 -0.01 -0.04 2.56 2.50 2k7pA21 MET -1 HE3 0.00 0.01 -0.00 -0.04 2.10 2.06 2k7pA21 ALA 1772 H 0.00 0.32 -0.37 -0.55 8.40 7.81 2k7pA21 ALA 1772 HA 0.00 0.10 0.70 -0.75 4.34 4.38 2k7pA21 ALA 1772 HB3 0.00 0.01 -0.05 -0.04 1.41 1.32 2k7pA21 PRO 1773 HA 0.00 0.07 0.49 -0.51 4.44 4.50 2k7pA21 PRO 1773 HB2 0.00 0.09 0.06 -0.04 2.28 2.38 2k7pA21 PRO 1773 HB3 0.00 -0.01 0.10 -0.04 2.02 2.07 2k7pA21 PRO 1773 HG2 0.00 0.05 -0.02 -0.04 2.03 2.03 2k7pA21 PRO 1773 HG3 0.00 0.00 0.05 -0.04 2.03 2.04 2k7pA21 PRO 1773 HD2 0.00 0.08 0.20 -0.04 3.68 3.92 2k7pA21 PRO 1773 HD3 0.00 0.13 0.15 -0.04 3.65 3.88 2k7pA21 GLU 1774 H 0.00 0.05 0.15 -0.55 8.60 8.25 2k7pA21 GLU 1774 HA 0.00 0.11 0.51 -0.75 4.29 4.16 2k7pA21 GLU 1774 HB2 0.00 -0.05 0.09 -0.04 2.09 2.09 2k7pA21 GLU 1774 HB3 0.00 0.02 -0.00 -0.04 1.99 1.97 2k7pA21 GLU 1774 HG2 0.00 -0.01 0.06 -0.04 2.34 2.35 2k7pA21 GLU 1774 HG3 0.00 -0.02 0.02 -0.04 2.34 2.30 2k7pA21 ARG 1775 H 0.00 0.23 0.19 -0.55 8.46 8.33 2k7pA21 ARG 1775 HA 0.00 0.12 0.68 -0.75 4.34 4.39 2k7pA21 ARG 1775 HB2 0.00 -0.02 0.01 -0.04 1.90 1.85 2k7pA21 ARG 1775 HB3 0.00 0.04 0.04 -0.04 1.80 1.85 2k7pA21 ARG 1775 HG2 0.00 0.08 -0.52 -0.04 1.67 1.19 2k7pA21 ARG 1775 HG3 0.00 -0.04 -0.08 -0.04 1.67 1.51 2k7pA21 ARG 1775 HD2 0.00 -0.05 0.04 -0.04 3.22 3.17 2k7pA21 ARG 1775 HD3 0.00 0.11 0.14 -0.04 3.22 3.43 2k7pA21 PRO 1776 HA 0.00 0.06 0.41 -0.51 4.44 4.40 2k7pA21 PRO 1776 HB2 0.00 0.03 -0.02 -0.04 2.28 2.25 2k7pA21 PRO 1776 HB3 0.00 0.02 0.09 -0.04 2.02 2.08 2k7pA21 PRO 1776 HG2 0.00 0.02 0.06 -0.04 2.03 2.08 2k7pA21 PRO 1776 HG3 0.00 0.03 0.06 -0.04 2.03 2.08 2k7pA21 PRO 1776 HD2 0.00 0.10 0.22 -0.04 3.68 3.96 2k7pA21 PRO 1776 HD3 0.00 0.13 0.16 -0.04 3.65 3.90 2k7pA21 LEU 1777 H 0.00 0.22 0.23 -0.55 8.37 8.27 2k7pA21 LEU 1777 HA 0.00 0.12 0.68 -0.75 4.35 4.40 2k7pA21 LEU 1777 HB2 0.00 -0.02 -0.00 -0.04 1.64 1.58 2k7pA21 LEU 1777 HB3 0.00 0.03 0.02 -0.04 1.64 1.65 2k7pA21 LEU 1777 HG 0.00 0.12 -0.44 -0.04 1.64 1.28 2k7pA21 LEU 1777 HD13 0.00 -0.01 -0.04 -0.04 0.93 0.85 2k7pA21 LEU 1777 HD23 0.00 0.02 0.04 -0.04 0.89 0.91 2k7pA21 VAL 1778 H 0.00 0.20 0.16 -0.55 8.24 8.05 2k7pA21 VAL 1778 HA 0.00 0.12 0.83 -0.75 4.13 4.33 2k7pA21 VAL 1778 HB 0.00 0.02 0.12 -0.04 2.12 2.21 2k7pA21 VAL 1778 HG13 0.00 0.01 -0.04 -0.04 0.97 0.90 2k7pA21 VAL 1778 HG23 0.00 0.01 -0.05 -0.04 0.95 0.87 2k7pA21 GLY 1779 H 0.00 0.18 0.15 -0.55 8.43 8.22 2k7pA21 GLY 1779 HA2 -0.00 0.02 0.31 -0.51 4.01 3.83 2k7pA21 GLY 1779 HA3 -0.00 0.11 0.47 -0.51 4.01 4.07 2k7pA21 VAL 1780 H 0.00 0.05 -0.37 -0.55 8.24 7.37 2k7pA21 VAL 1780 HA 0.00 0.10 0.65 -0.75 4.13 4.12 2k7pA21 VAL 1780 HB 0.00 0.03 0.05 -0.04 2.12 2.17 2k7pA21 VAL 1780 HG13 0.00 0.01 -0.11 -0.04 0.97 0.83 2k7pA21 VAL 1780 HG23 0.00 0.02 -0.13 -0.04 0.95 0.80 2k7pA21 ASN 1781 H 0.00 0.08 0.13 -0.55 8.53 8.19 2k7pA21 ASN 1781 HA 0.00 0.10 0.51 -0.75 4.76 4.62 2k7pA21 ASN 1781 HB2 0.00 0.02 0.11 -0.04 2.88 2.97 2k7pA21 ASN 1781 HB3 0.00 0.02 0.09 -0.04 2.79 2.86 2k7pA21 ASN 1781 HD21 0.00 0.01 0.07 -0.04 7.03 7.07 2k7pA21 ASN 1781 HD22 0.00 0.01 0.01 -0.04 7.74 7.72 2k7pA21 GLY 1782 H 0.00 0.24 0.20 -0.55 8.43 8.33 2k7pA21 GLY 1782 HA2 0.00 0.09 0.46 -0.51 4.01 4.06 2k7pA21 GLY 1782 HA3 0.00 0.06 0.30 -0.51 4.01 3.87 2k7pA21 LEU 1783 H 0.01 0.25 0.18 -0.55 8.37 8.26 2k7pA21 LEU 1783 HA 0.01 0.13 0.77 -0.75 4.35 4.50 2k7pA21 LEU 1783 HB2 0.01 -0.00 -0.00 -0.04 1.64 1.60 2k7pA21 LEU 1783 HB3 0.01 0.01 -0.01 -0.04 1.64 1.62 2k7pA21 LEU 1783 HG 0.01 -0.06 -0.40 -0.04 1.64 1.15 2k7pA21 LEU 1783 HD13 0.01 0.01 -0.07 -0.04 0.93 0.84 2k7pA21 LEU 1783 HD23 0.01 0.03 0.05 -0.04 0.89 0.93 2k7pA21 ASP 1784 H 0.01 0.31 0.23 -0.55 8.40 8.41 2k7pA21 ASP 1784 HA 0.01 0.15 0.46 -0.75 4.63 4.49 2k7pA21 ASP 1784 HB2 0.01 0.17 -0.21 -0.04 2.71 2.64 2k7pA21 ASP 1784 HB3 0.01 -0.05 -0.04 -0.04 2.70 2.58 2k7pA21 VAL 1785 H 0.00 0.21 0.14 -0.55 8.24 8.04 2k7pA21 VAL 1785 HA 0.03 0.02 0.31 -0.75 4.13 3.74 2k7pA21 VAL 1785 HB -0.04 -0.01 0.14 -0.04 2.12 2.17 2k7pA21 VAL 1785 HG13 -0.04 0.02 -0.03 -0.04 0.97 0.88 2k7pA21 VAL 1785 HG23 -0.21 0.01 0.01 -0.04 0.95 0.73 2k7pA21 THR 1786 H 0.03 -0.01 -0.44 -0.55 8.28 7.30 2k7pA21 THR 1786 HA 0.08 0.09 0.40 -0.75 4.39 4.20 2k7pA21 THR 1786 HB 0.02 -0.04 0.03 -0.04 4.32 4.29 2k7pA21 THR 1786 HG23 0.02 -0.01 -0.13 -0.04 1.22 1.06 2k7pA21 SER 1787 H 0.05 0.38 -0.20 -0.55 8.46 8.14 2k7pA21 SER 1787 HA 0.02 0.07 0.52 -0.75 4.49 4.35 2k7pA21 SER 1787 HB2 0.03 -0.02 0.23 -0.04 3.95 4.14 2k7pA21 SER 1787 HB3 0.01 0.09 0.04 -0.04 3.93 4.02 2k7pA21 LEU 1788 H -0.00 0.21 0.22 -0.55 8.37 8.25 2k7pA21 LEU 1788 HA -0.05 0.10 0.79 -0.75 4.35 4.43 2k7pA21 LEU 1788 HB2 -0.07 0.05 -0.04 -0.04 1.64 1.54 2k7pA21 LEU 1788 HB3 -0.12 0.04 -0.12 -0.04 1.64 1.40 2k7pA21 LEU 1788 HG -0.01 0.10 -0.18 -0.04 1.64 1.51 2k7pA21 LEU 1788 HD13 -0.08 0.03 -0.46 -0.04 0.93 0.38 2k7pA21 LEU 1788 HD23 -0.40 -0.02 -0.31 -0.04 0.89 0.12 2k7pA21 ARG 1789 H -0.08 0.70 0.27 -0.55 8.46 8.80 2k7pA21 ARG 1789 HA -0.07 0.03 0.33 -0.75 4.34 3.89 2k7pA21 ARG 1789 HB2 -0.11 0.06 -0.04 -0.04 1.90 1.76 2k7pA21 ARG 1789 HB3 -0.07 -0.12 0.19 -0.04 1.80 1.76 2k7pA21 ARG 1789 HG2 -0.14 0.12 -0.10 -0.04 1.67 1.50 2k7pA21 ARG 1789 HG3 -0.27 -0.03 -0.02 -0.04 1.67 1.31 2k7pA21 ARG 1789 HD2 -0.23 0.02 -0.02 -0.04 3.22 2.94 2k7pA21 ARG 1789 HD3 -1.28 -0.06 -0.07 -0.04 3.22 1.77 2k7pA21 PRO 1790 HA 0.00 0.07 0.38 -0.51 4.44 4.39 2k7pA21 PRO 1790 HB2 -0.01 0.03 -0.03 -0.04 2.28 2.23 2k7pA21 PRO 1790 HB3 -0.03 0.03 0.14 -0.04 2.02 2.11 2k7pA21 PRO 1790 HG2 -0.00 -0.01 0.04 -0.04 2.03 2.02 2k7pA21 PRO 1790 HG3 -0.02 0.00 0.07 -0.04 2.03 2.04 2k7pA21 PRO 1790 HD2 -0.04 0.03 0.20 -0.04 3.68 3.82 2k7pA21 PRO 1790 HD3 -0.03 0.23 0.27 -0.04 3.65 4.08 2k7pA21 PHE 1791 H 0.12 0.38 0.28 -0.55 8.34 8.57 2k7pA21 PHE 1791 HA -0.17 0.13 0.82 -0.75 4.62 4.65 2k7pA21 PHE 1791 HB2 -0.20 0.04 0.01 -0.04 3.15 2.95 2k7pA21 PHE 1791 HB3 -0.04 -0.05 0.13 -0.04 3.06 3.06 2k7pA21 PHE 1791 HD2 -0.40 -0.02 -0.09 -0.04 7.28 6.73 2k7pA21 PHE 1791 HE2 -0.29 0.01 -0.15 -0.04 7.38 6.90 2k7pA21 PHE 1791 HZ -0.21 0.03 -0.27 -0.04 7.32 6.83 2k7pA21 ASP 1792 H 0.03 0.28 0.15 -0.55 8.40 8.30 2k7pA21 ASP 1792 HA -0.26 0.25 0.78 -0.75 4.63 4.64 2k7pA21 ASP 1792 HB2 -0.09 0.01 0.07 -0.04 2.71 2.67 2k7pA21 ASP 1792 HB3 -0.06 0.02 -0.13 -0.04 2.70 2.50 2k7pA21 LEU 1793 H -0.27 0.73 0.38 -0.55 8.37 8.67 2k7pA21 LEU 1793 HA -0.11 0.11 0.80 -0.75 4.35 4.39 2k7pA21 LEU 1793 HB2 -0.49 -0.01 -0.09 -0.04 1.64 1.01 2k7pA21 LEU 1793 HB3 -0.27 0.01 -0.13 -0.04 1.64 1.21 2k7pA21 LEU 1793 HG -0.15 0.02 -0.07 -0.04 1.64 1.40 2k7pA21 LEU 1793 HD13 -0.04 0.02 0.11 -0.04 0.93 0.98 2k7pA21 LEU 1793 HD23 -0.04 0.01 -0.07 -0.04 0.89 0.75 2k7pA21 VAL 1794 H -0.09 0.27 0.20 -0.55 8.24 8.07 2k7pA21 VAL 1794 HA -0.10 0.21 0.93 -0.75 4.13 4.43 2k7pA21 VAL 1794 HB -0.05 -0.01 -0.07 -0.04 2.12 1.95 2k7pA21 VAL 1794 HG13 -0.02 -0.00 -0.01 -0.04 0.97 0.90 2k7pA21 VAL 1794 HG23 -0.03 0.00 -0.17 -0.04 0.95 0.72 2k7pA21 ILE 1795 H -0.08 0.68 0.32 -0.55 8.25 8.62 2k7pA21 ILE 1795 HA -0.10 0.23 0.80 -0.75 4.18 4.36 2k7pA21 ILE 1795 HB -0.13 -0.06 0.00 -0.04 1.89 1.65 2k7pA21 ILE 1795 HG12 -0.92 0.12 -0.18 -0.04 1.49 0.47 2k7pA21 ILE 1795 HG13 -0.32 -0.15 -0.48 -0.04 1.21 0.22 2k7pA21 ILE 1795 HG23 -0.05 0.02 -0.22 -0.04 0.93 0.64 2k7pA21 ILE 1795 HD13 -0.34 0.01 -0.16 -0.04 0.88 0.34 2k7pA21 PRO 1796 HA 0.04 0.14 0.73 -0.51 4.44 4.84 2k7pA21 PRO 1796 HB2 0.03 0.06 0.15 -0.04 2.28 2.49 2k7pA21 PRO 1796 HB3 0.03 0.00 0.09 -0.04 2.02 2.10 2k7pA21 PRO 1796 HG2 0.10 0.04 0.14 -0.04 2.03 2.26 2k7pA21 PRO 1796 HG3 0.07 0.04 0.05 -0.04 2.03 2.14 2k7pA21 PRO 1796 HD2 0.17 0.12 0.16 -0.04 3.68 4.09 2k7pA21 PRO 1796 HD3 0.08 0.14 0.11 -0.04 3.65 3.94 2k7pA21 PHE 1797 H 0.11 0.27 0.33 -0.55 8.34 8.50 2k7pA21 PHE 1797 HA -0.05 0.14 0.61 -0.75 4.62 4.57 2k7pA21 PHE 1797 HB2 -0.04 0.09 -0.28 -0.04 3.15 2.88 2k7pA21 PHE 1797 HB3 -0.05 -0.06 -0.14 -0.04 3.06 2.77 2k7pA21 PHE 1797 HD2 -0.04 0.00 -0.21 -0.04 7.28 6.98 2k7pA21 PHE 1797 HE2 -0.12 -0.04 -0.10 -0.04 7.38 7.08 2k7pA21 PHE 1797 HZ -0.67 -0.05 -0.03 -0.04 7.32 6.53 2k7pA21 THR 1798 H -0.99 0.24 0.06 -0.55 8.28 7.05 2k7pA21 THR 1798 HA -0.08 0.06 0.71 -0.75 4.39 4.32 2k7pA21 THR 1798 HB -0.29 0.00 -0.02 -0.04 4.32 3.97 2k7pA21 THR 1798 HG23 -0.09 0.01 -0.15 -0.04 1.22 0.94 2k7pA21 ILE 1799 H 0.01 0.14 0.08 -0.55 8.25 7.93 2k7pA21 ILE 1799 HA 0.17 0.05 0.67 -0.75 4.18 4.32 2k7pA21 ILE 1799 HB 0.11 -0.01 0.11 -0.04 1.89 2.06 2k7pA21 ILE 1799 HG12 0.44 0.02 -0.17 -0.04 1.49 1.73 2k7pA21 ILE 1799 HG13 0.24 -0.05 -0.16 -0.04 1.21 1.19 2k7pA21 ILE 1799 HG23 0.20 0.05 -0.18 -0.04 0.93 0.96 2k7pA21 ILE 1799 HD13 0.13 -0.00 -0.07 -0.04 0.88 0.91 2k7pA21 LYS 1800 H 0.22 0.04 0.02 -0.55 8.42 8.15 2k7pA21 LYS 1800 HA 0.03 0.23 0.71 -0.75 4.32 4.54 2k7pA21 LYS 1800 HB2 0.12 -0.04 0.16 -0.04 1.87 2.07 2k7pA21 LYS 1800 HB3 0.04 -0.03 0.19 -0.04 1.79 1.95 2k7pA21 LYS 1800 HG2 -0.04 0.02 -0.00 -0.04 1.46 1.40 2k7pA21 LYS 1800 HG3 -0.04 0.06 -0.08 -0.04 1.46 1.36 2k7pA21 LYS 1800 HD2 -0.19 0.03 -0.11 -0.04 1.69 1.38 2k7pA21 LYS 1800 HD3 -0.18 -0.06 -0.51 -0.04 1.68 0.89 2k7pA21 LYS 1800 HE2 -0.18 -0.14 0.05 -0.04 2.99 2.68 2k7pA21 LYS 1800 HE3 -0.17 -0.01 0.01 -0.04 2.99 2.78 2k7pA21 LYS 1801 H 0.08 0.12 0.13 -0.55 8.42 8.20 2k7pA21 LYS 1801 HA 0.04 0.19 0.63 -0.75 4.32 4.43 2k7pA21 LYS 1801 HB2 0.02 0.04 0.16 -0.04 1.87 2.05 2k7pA21 LYS 1801 HB3 0.03 -0.00 0.10 -0.04 1.79 1.87 2k7pA21 LYS 1801 HG2 0.06 -0.08 0.08 -0.04 1.46 1.48 2k7pA21 LYS 1801 HG3 0.04 0.03 -0.14 -0.04 1.46 1.35 2k7pA21 LYS 1801 HD2 0.02 0.00 0.03 -0.04 1.69 1.70 2k7pA21 LYS 1801 HD3 0.03 0.00 0.00 -0.04 1.68 1.67 2k7pA21 LYS 1801 HE2 0.02 0.00 -0.00 -0.04 2.99 2.96 2k7pA21 LYS 1801 HE3 0.01 0.02 0.03 -0.04 2.99 3.01 2k7pA21 GLY 1802 H 0.17 -0.11 -0.31 -0.55 8.43 7.63 2k7pA21 GLY 1802 HA2 -0.09 0.15 0.52 -0.51 4.01 4.07 2k7pA21 GLY 1802 HA3 -0.27 -0.05 0.33 -0.51 4.01 3.52 2k7pA21 GLU 1803 H -0.62 0.15 0.20 -0.55 8.60 7.79 2k7pA21 GLU 1803 HA -0.09 0.16 0.67 -0.75 4.29 4.27 2k7pA21 GLU 1803 HB2 -0.09 0.15 -0.24 -0.04 2.09 1.87 2k7pA21 GLU 1803 HB3 -0.13 -0.07 -0.01 -0.04 1.99 1.73 2k7pA21 GLU 1803 HG2 -0.06 0.02 -0.12 -0.04 2.34 2.14 2k7pA21 GLU 1803 HG3 -0.04 0.03 0.11 -0.04 2.34 2.40 2k7pA21 ILE 1804 H -0.04 0.27 0.18 -0.55 8.25 8.12 2k7pA21 ILE 1804 HA -0.04 0.24 1.06 -0.75 4.18 4.68 2k7pA21 ILE 1804 HB 0.24 -0.07 -0.18 -0.04 1.89 1.84 2k7pA21 ILE 1804 HG12 -0.06 0.03 -0.22 -0.04 1.49 1.21 2k7pA21 ILE 1804 HG13 -0.01 0.06 -0.31 -0.04 1.21 0.91 2k7pA21 ILE 1804 HG23 0.05 -0.00 -0.05 -0.04 0.93 0.88 2k7pA21 ILE 1804 HD13 -0.21 -0.01 -0.20 -0.04 0.88 0.42 2k7pA21 THR 1805 H -0.04 0.64 0.36 -0.55 8.28 8.69 2k7pA21 THR 1805 HA -0.03 0.13 0.68 -0.75 4.39 4.42 2k7pA21 THR 1805 HB -0.02 0.04 0.12 -0.04 4.32 4.42 2k7pA21 THR 1805 HG23 -0.03 -0.00 -0.14 -0.04 1.22 1.01 2k7pA21 GLY 1806 H -0.03 0.22 0.20 -0.55 8.43 8.28 2k7pA21 GLY 1806 HA2 -0.06 0.05 0.63 -0.51 4.01 4.12 2k7pA21 GLY 1806 HA3 -0.05 0.11 0.38 -0.51 4.01 3.94 2k7pA21 GLU 1807 H -0.04 0.53 0.31 -0.55 8.60 8.85 2k7pA21 GLU 1807 HA -0.01 0.19 0.77 -0.75 4.29 4.48 2k7pA21 GLU 1807 HB2 -0.01 0.06 -0.10 -0.04 2.09 1.99 2k7pA21 GLU 1807 HB3 -0.02 -0.09 0.05 -0.04 1.99 1.89 2k7pA21 GLU 1807 HG2 -0.01 0.04 -0.20 -0.04 2.34 2.12 2k7pA21 GLU 1807 HG3 -0.00 0.04 0.08 -0.04 2.34 2.42 2k7pA21 VAL 1808 H -0.03 0.83 0.42 -0.55 8.24 8.91 2k7pA21 VAL 1808 HA -0.07 0.27 1.07 -0.75 4.13 4.65 2k7pA21 VAL 1808 HB -0.33 -0.05 -0.05 -0.04 2.12 1.65 2k7pA21 VAL 1808 HG13 -0.65 0.02 -0.15 -0.04 0.97 0.14 2k7pA21 VAL 1808 HG23 -0.30 -0.01 -0.17 -0.04 0.95 0.43 2k7pA21 ARG 1809 H -0.01 0.46 0.32 -0.55 8.46 8.68 2k7pA21 ARG 1809 HA -0.01 0.15 1.08 -0.75 4.34 4.80 2k7pA21 ARG 1809 HB2 -0.03 -0.01 0.11 -0.04 1.90 1.93 2k7pA21 ARG 1809 HB3 -0.03 0.05 0.05 -0.04 1.80 1.82 2k7pA21 ARG 1809 HG2 -0.01 0.00 -0.09 -0.04 1.67 1.53 2k7pA21 ARG 1809 HG3 -0.01 0.04 -0.35 -0.04 1.67 1.31 2k7pA21 ARG 1809 HD2 -0.01 -0.03 -0.22 -0.04 3.22 2.93 2k7pA21 ARG 1809 HD3 -0.01 0.08 -0.08 -0.04 3.22 3.17 2k7pA21 MET 1810 H -0.03 0.65 0.37 -0.55 8.47 8.91 2k7pA21 MET 1810 HA -0.51 0.23 0.64 -0.75 4.52 4.13 2k7pA21 MET 1810 HB2 0.01 0.02 0.06 -0.04 2.15 2.20 2k7pA21 MET 1810 HB3 -0.00 -0.08 -0.03 -0.04 2.03 1.88 2k7pA21 MET 1810 HG2 0.43 0.04 -0.10 -0.04 2.63 2.96 2k7pA21 MET 1810 HG3 0.19 -0.03 -0.30 -0.04 2.56 2.38 2k7pA21 MET 1810 HE3 0.12 0.05 -0.39 -0.04 2.10 1.84 2k7pA21 PRO 1811 HA -0.14 0.09 0.41 -0.51 4.44 4.28 2k7pA21 PRO 1811 HB2 -0.13 0.03 0.06 -0.04 2.28 2.19 2k7pA21 PRO 1811 HB3 -0.12 -0.00 0.15 -0.04 2.02 2.01 2k7pA21 PRO 1811 HG2 -0.29 0.00 0.13 -0.04 2.03 1.83 2k7pA21 PRO 1811 HG3 -0.30 0.20 0.17 -0.04 2.03 2.06 2k7pA21 PRO 1811 HD2 -0.49 0.12 0.12 -0.04 3.68 3.39 2k7pA21 PRO 1811 HD3 -1.10 0.25 0.19 -0.04 3.65 2.95 2k7pA21 SER 1812 H -0.08 0.08 -0.35 -0.55 8.46 7.56 2k7pA21 SER 1812 HA -0.03 0.09 0.43 -0.75 4.49 4.23 2k7pA21 SER 1812 HB2 -0.01 -0.02 0.05 -0.04 3.95 3.92 2k7pA21 SER 1812 HB3 -0.01 -0.02 -0.07 -0.04 3.93 3.80 2k7pA21 GLY 1813 H -0.05 0.34 -0.39 -0.55 8.43 7.78 2k7pA21 GLY 1813 HA2 -0.03 0.03 0.28 -0.51 4.01 3.78 2k7pA21 GLY 1813 HA3 -0.02 0.09 0.62 -0.51 4.01 4.20 2k7pA21 LYS 1814 H -0.02 0.29 0.21 -0.55 8.42 8.34 2k7pA21 LYS 1814 HA 0.00 0.12 0.65 -0.75 4.32 4.34 2k7pA21 LYS 1814 HB2 0.02 0.02 0.06 -0.04 1.87 1.93 2k7pA21 LYS 1814 HB3 0.01 0.15 -0.30 -0.04 1.79 1.61 2k7pA21 LYS 1814 HG2 0.00 -0.14 -0.21 -0.04 1.46 1.07 2k7pA21 LYS 1814 HG3 0.04 0.00 -0.21 -0.04 1.46 1.25 2k7pA21 LYS 1814 HD2 0.01 0.08 -0.19 -0.04 1.69 1.55 2k7pA21 LYS 1814 HD3 0.03 -0.05 -0.14 -0.04 1.68 1.47 2k7pA21 LYS 1814 HE2 0.05 -0.01 -0.11 -0.04 2.99 2.88 2k7pA21 LYS 1814 HE3 0.03 0.03 -0.06 -0.04 2.99 2.94 2k7pA21 VAL 1815 H 0.02 0.22 0.22 -0.55 8.24 8.15 2k7pA21 VAL 1815 HA 0.02 0.20 1.05 -0.75 4.13 4.65 2k7pA21 VAL 1815 HB 0.01 0.09 0.17 -0.04 2.12 2.34 2k7pA21 VAL 1815 HG13 -0.00 -0.01 -0.16 -0.04 0.97 0.76 2k7pA21 VAL 1815 HG23 0.01 -0.01 -0.05 -0.04 0.95 0.86 2k7pA21 ALA 1816 H 0.03 0.70 0.43 -0.55 8.40 9.01 2k7pA21 ALA 1816 HA 0.06 0.09 0.63 -0.75 4.34 4.36 2k7pA21 ALA 1816 HB3 0.19 0.02 -0.03 -0.04 1.41 1.55 2k7pA21 GLN 1817 H 0.08 0.17 0.21 -0.55 8.47 8.38 2k7pA21 GLN 1817 HA 0.02 0.15 0.85 -0.75 4.36 4.63 2k7pA21 GLN 1817 HB2 0.04 -0.04 0.15 -0.04 2.15 2.25 2k7pA21 GLN 1817 HB3 0.02 0.12 0.09 -0.04 2.02 2.21 2k7pA21 GLN 1817 HG2 0.01 0.14 0.07 -0.04 2.40 2.58 2k7pA21 GLN 1817 HG3 0.02 -0.10 -0.04 -0.04 2.39 2.23 2k7pA21 GLN 1817 HE21 0.02 -0.03 0.04 -0.04 6.97 6.97 2k7pA21 GLN 1817 HE22 0.01 -0.01 0.03 -0.04 7.69 7.68 2k7pA21 PRO 1818 HA 0.14 0.12 0.69 -0.51 4.44 4.88 2k7pA21 PRO 1818 HB2 -0.03 0.10 0.02 -0.04 2.28 2.34 2k7pA21 PRO 1818 HB3 0.00 -0.01 -0.01 -0.04 2.02 1.96 2k7pA21 PRO 1818 HG2 -0.03 -0.01 -0.15 -0.04 2.03 1.80 2k7pA21 PRO 1818 HG3 -0.04 0.08 -0.07 -0.04 2.03 1.95 2k7pA21 PRO 1818 HD2 -0.00 0.13 -0.01 -0.04 3.68 3.75 2k7pA21 PRO 1818 HD3 -0.01 0.06 -0.05 -0.04 3.65 3.61 2k7pA21 THR 1819 H 0.01 0.71 0.33 -0.55 8.28 8.78 2k7pA21 THR 1819 HA -0.01 0.13 0.82 -0.75 4.39 4.58 2k7pA21 THR 1819 HB -0.02 -0.04 0.04 -0.04 4.32 4.26 2k7pA21 THR 1819 HG23 -0.02 -0.00 -0.14 -0.04 1.22 1.02 2k7pA21 ILE 1820 H -0.02 0.25 0.15 -0.55 8.25 8.09 2k7pA21 ILE 1820 HA -0.06 0.26 0.93 -0.75 4.18 4.56 2k7pA21 ILE 1820 HB -0.02 0.01 0.02 -0.04 1.89 1.86 2k7pA21 ILE 1820 HG12 -0.08 -0.03 -0.23 -0.04 1.49 1.12 2k7pA21 ILE 1820 HG13 -0.08 0.07 -0.28 -0.04 1.21 0.88 2k7pA21 ILE 1820 HG23 -0.04 -0.01 -0.19 -0.04 0.93 0.66 2k7pA21 ILE 1820 HD13 -0.04 0.01 -0.34 -0.04 0.88 0.47 2k7pA21 THR 1821 H -0.03 0.79 0.24 -0.55 8.28 8.74 2k7pA21 THR 1821 HA -0.00 0.10 0.85 -0.75 4.39 4.58 2k7pA21 THR 1821 HB -0.02 -0.02 0.08 -0.04 4.32 4.32 2k7pA21 THR 1821 HG23 -0.01 0.02 -0.10 -0.04 1.22 1.09 2k7pA21 ASP 1822 H 0.02 0.18 0.16 -0.55 8.40 8.21 2k7pA21 ASP 1822 HA 0.03 0.07 0.85 -0.75 4.63 4.83 2k7pA21 ASP 1822 HB2 0.04 -0.06 0.15 -0.04 2.71 2.80 2k7pA21 ASP 1822 HB3 0.07 0.01 0.13 -0.04 2.70 2.86 2k7pA21 ASN 1823 H 0.01 0.54 0.42 -0.55 8.53 8.96 2k7pA21 ASN 1823 HA -0.00 0.19 0.62 -0.75 4.76 4.81 2k7pA21 ASN 1823 HB2 -0.00 -0.05 0.09 -0.04 2.88 2.88 2k7pA21 ASN 1823 HB3 -0.00 0.03 0.10 -0.04 2.79 2.87 2k7pA21 ASN 1823 HD21 -0.01 -0.04 -0.32 -0.04 7.03 6.62 2k7pA21 ASN 1823 HD22 -0.02 0.03 -0.19 -0.04 7.74 7.51 2k7pA21 LYS 1824 H 0.01 0.11 0.02 -0.55 8.42 8.00 2k7pA21 LYS 1824 HA -0.00 0.01 0.33 -0.75 4.32 3.91 2k7pA21 LYS 1824 HB2 -0.00 0.20 0.00 -0.04 1.87 2.03 2k7pA21 LYS 1824 HB3 -0.00 0.00 0.18 -0.04 1.79 1.93 2k7pA21 LYS 1824 HG2 0.01 -0.01 0.02 -0.04 1.46 1.43 2k7pA21 LYS 1824 HG3 0.01 0.01 -0.27 -0.04 1.46 1.17 2k7pA21 LYS 1824 HD2 0.00 0.04 -0.06 -0.04 1.69 1.63 2k7pA21 LYS 1824 HD3 0.00 -0.01 0.00 -0.04 1.68 1.64 2k7pA21 LYS 1824 HE2 0.00 -0.01 -0.00 -0.04 2.99 2.95 2k7pA21 LYS 1824 HE3 0.01 -0.00 0.00 -0.04 2.99 2.96 2k7pA21 ASP 1825 H -0.00 0.03 -0.55 -0.55 8.40 7.32 2k7pA21 ASP 1825 HA -0.01 0.20 0.65 -0.75 4.63 4.72 2k7pA21 ASP 1825 HB2 -0.01 0.10 -0.02 -0.04 2.71 2.74 2k7pA21 ASP 1825 HB3 -0.00 -0.06 -0.03 -0.04 2.70 2.57 2k7pA21 GLY 1826 H -0.01 0.01 -0.26 -0.55 8.43 7.62 2k7pA21 GLY 1826 HA2 -0.03 -0.00 0.19 -0.51 4.01 3.65 2k7pA21 GLY 1826 HA3 -0.02 0.19 0.62 -0.51 4.01 4.28 2k7pA21 THR 1827 H 0.00 -0.12 0.01 -0.55 8.28 7.63 2k7pA21 THR 1827 HA 0.03 0.12 1.02 -0.75 4.39 4.80 2k7pA21 THR 1827 HB 0.00 0.07 -0.06 -0.04 4.32 4.28 2k7pA21 THR 1827 HG23 0.00 0.02 -0.29 -0.04 1.22 0.91 2k7pA21 VAL 1828 H 0.03 0.77 0.43 -0.55 8.24 8.92 2k7pA21 VAL 1828 HA 0.02 0.01 0.90 -0.75 4.13 4.30 2k7pA21 VAL 1828 HB 0.01 0.04 -0.13 -0.04 2.12 2.00 2k7pA21 VAL 1828 HG13 0.18 0.00 -0.21 -0.04 0.97 0.90 2k7pA21 VAL 1828 HG23 -0.03 0.01 -0.14 -0.04 0.95 0.76 2k7pA21 THR 1829 H -0.02 0.70 0.34 -0.55 8.28 8.74 2k7pA21 THR 1829 HA -0.08 0.21 1.03 -0.75 4.39 4.80 2k7pA21 THR 1829 HB -0.04 0.03 0.16 -0.04 4.32 4.43 2k7pA21 THR 1829 HG23 -0.06 0.02 -0.07 -0.04 1.22 1.06 2k7pA21 VAL 1830 H -0.15 0.82 0.37 -0.55 8.24 8.73 2k7pA21 VAL 1830 HA -0.13 0.20 0.97 -0.75 4.13 4.41 2k7pA21 VAL 1830 HB -0.28 -0.04 -0.01 -0.04 2.12 1.75 2k7pA21 VAL 1830 HG13 -0.22 0.01 -0.15 -0.04 0.97 0.56 2k7pA21 VAL 1830 HG23 -0.17 0.00 -0.30 -0.04 0.95 0.44 2k7pA21 ARG 1831 H -0.11 0.70 0.36 -0.55 8.46 8.86 2k7pA21 ARG 1831 HA -0.18 0.28 0.92 -0.75 4.34 4.60 2k7pA21 ARG 1831 HB2 -0.05 -0.05 -0.03 -0.04 1.90 1.73 2k7pA21 ARG 1831 HB3 -0.05 0.02 0.02 -0.04 1.80 1.75 2k7pA21 ARG 1831 HG2 -0.09 0.07 0.01 -0.04 1.67 1.62 2k7pA21 ARG 1831 HG3 -0.09 -0.09 -0.51 -0.04 1.67 0.94 2k7pA21 ARG 1831 HD2 -0.04 -0.03 -0.13 -0.04 3.22 2.97 2k7pA21 ARG 1831 HD3 -0.04 0.02 -0.07 -0.04 3.22 3.08 2k7pA21 TYR 1832 H 0.02 0.64 0.29 -0.55 8.29 8.69 2k7pA21 TYR 1832 HA -0.00 0.03 0.57 -0.75 4.56 4.41 2k7pA21 TYR 1832 HB2 0.05 0.05 -0.04 -0.04 3.06 3.07 2k7pA21 TYR 1832 HB3 0.15 -0.01 -0.13 -0.04 2.98 2.94 2k7pA21 TYR 1832 HD2 0.15 0.02 -0.15 -0.04 7.15 7.12 2k7pA21 TYR 1832 HE2 0.03 -0.01 -0.16 -0.04 6.85 6.67 2k7pA21 ALA 1833 H -0.31 0.17 0.10 -0.55 8.40 7.81 2k7pA21 ALA 1833 HA -0.26 0.15 0.74 -0.75 4.34 4.21 2k7pA21 ALA 1833 HB3 -0.16 0.01 0.08 -0.04 1.41 1.31 2k7pA21 PRO 1834 HA -0.35 0.01 0.33 -0.51 4.44 3.93 2k7pA21 PRO 1834 HB2 -0.10 0.00 -0.13 -0.04 2.28 2.01 2k7pA21 PRO 1834 HB3 -0.01 0.06 -0.01 -0.04 2.02 2.01 2k7pA21 PRO 1834 HG2 -0.10 -0.00 -0.09 -0.04 2.03 1.81 2k7pA21 PRO 1834 HG3 -0.05 0.25 -0.36 -0.04 2.03 1.83 2k7pA21 PRO 1834 HD2 -0.16 0.07 0.23 -0.04 3.68 3.78 2k7pA21 PRO 1834 HD3 -0.18 0.18 0.25 -0.04 3.65 3.86 2k7pA21 SER 1835 H 0.03 0.07 0.17 -0.55 8.46 8.17 2k7pA21 SER 1835 HA -0.02 0.17 0.62 -0.75 4.49 4.51 2k7pA21 SER 1835 HB2 0.01 -0.02 0.11 -0.04 3.95 4.02 2k7pA21 SER 1835 HB3 -0.02 0.08 -0.14 -0.04 3.93 3.82 2k7pA21 GLU 1836 H 0.04 0.13 0.15 -0.55 8.60 8.37 2k7pA21 GLU 1836 HA 0.01 0.12 0.70 -0.75 4.29 4.37 2k7pA21 GLU 1836 HB2 0.16 -0.02 -0.00 -0.04 2.09 2.19 2k7pA21 GLU 1836 HB3 0.03 0.05 0.05 -0.04 1.99 2.07 2k7pA21 GLU 1836 HG2 0.08 -0.09 -0.39 -0.04 2.34 1.90 2k7pA21 GLU 1836 HG3 0.05 -0.07 -0.11 -0.04 2.34 2.17 2k7pA21 ALA 1837 H -0.05 0.09 0.09 -0.55 8.40 7.98 2k7pA21 ALA 1837 HA -0.28 0.14 0.52 -0.75 4.34 3.97 2k7pA21 ALA 1837 HB3 -0.25 0.01 0.05 -0.04 1.41 1.17 2k7pA21 GLY 1838 H -0.66 0.48 0.29 -0.55 8.43 7.99 2k7pA21 GLY 1838 HA2 -0.53 0.00 0.36 -0.51 4.01 3.33 2k7pA21 GLY 1838 HA3 -0.22 0.14 0.72 -0.51 4.01 4.14 2k7pA21 LEU 1839 H -0.08 0.09 0.22 -0.55 8.37 8.05 2k7pA21 LEU 1839 HA -0.04 0.13 0.75 -0.75 4.35 4.44 2k7pA21 LEU 1839 HB2 0.15 -0.04 0.15 -0.04 1.64 1.86 2k7pA21 LEU 1839 HB3 -0.01 -0.04 0.19 -0.04 1.64 1.74 2k7pA21 LEU 1839 HG 0.00 0.02 -0.15 -0.04 1.64 1.47 2k7pA21 LEU 1839 HD13 0.11 0.04 -0.01 -0.04 0.93 1.03 2k7pA21 LEU 1839 HD23 -0.00 0.00 0.00 -0.04 0.89 0.85 2k7pA21 HIS 1840 H -0.14 0.72 0.50 -0.55 8.41 8.94 2k7pA21 HIS 1840 HA -0.12 0.17 0.89 -0.75 4.63 4.82 2k7pA21 HIS 1840 HB2 -0.64 0.04 0.06 -0.04 3.26 2.68 2k7pA21 HIS 1840 HB3 -0.08 -0.04 0.06 -0.04 3.20 3.10 2k7pA21 HIS 1840 HD2 -0.08 -0.04 -0.19 -0.04 6.97 6.61 2k7pA21 HIS 1840 HE1 -0.24 0.05 -0.51 -0.04 7.75 7.00 2k7pA21 GLU 1841 H 0.06 0.29 0.31 -0.55 8.60 8.72 2k7pA21 GLU 1841 HA 0.19 0.30 0.52 -0.75 4.29 4.54 2k7pA21 GLU 1841 HB2 0.10 0.04 -0.09 -0.04 2.09 2.10 2k7pA21 GLU 1841 HB3 0.07 0.02 -0.05 -0.04 1.99 1.99 2k7pA21 GLU 1841 HG2 0.04 -0.05 -0.36 -0.04 2.34 1.94 2k7pA21 GLU 1841 HG3 0.05 0.01 -0.13 -0.04 2.34 2.23 2k7pA21 MET 1842 H 0.17 0.70 0.26 -0.55 8.47 9.06 2k7pA21 MET 1842 HA 0.02 0.25 1.02 -0.75 4.52 5.05 2k7pA21 MET 1842 HB2 0.17 -0.01 -0.03 -0.04 2.15 2.24 2k7pA21 MET 1842 HB3 0.13 -0.00 0.13 -0.04 2.03 2.25 2k7pA21 MET 1842 HG2 -0.04 0.06 -0.42 -0.04 2.63 2.19 2k7pA21 MET 1842 HG3 -0.04 -0.02 -0.14 -0.04 2.56 2.32 2k7pA21 MET 1842 HE3 -0.08 -0.00 -0.26 -0.04 2.10 1.72 2k7pA21 ASP 1843 H -0.02 0.76 0.35 -0.55 8.40 8.94 2k7pA21 ASP 1843 HA -0.10 0.04 0.76 -0.75 4.63 4.58 2k7pA21 ASP 1843 HB2 -0.04 0.03 0.09 -0.04 2.71 2.75 2k7pA21 ASP 1843 HB3 -0.05 0.01 0.22 -0.04 2.70 2.84 2k7pA21 ILE 1844 H -0.20 0.22 0.20 -0.55 8.25 7.92 2k7pA21 ILE 1844 HA -0.12 0.23 0.67 -0.75 4.18 4.22 2k7pA21 ILE 1844 HB -0.14 -0.01 -0.02 -0.04 1.89 1.68 2k7pA21 ILE 1844 HG12 -0.10 -0.02 -0.57 -0.04 1.49 0.76 2k7pA21 ILE 1844 HG13 -0.14 0.01 -0.20 -0.04 1.21 0.84 2k7pA21 ILE 1844 HG23 -0.17 -0.01 -0.23 -0.04 0.93 0.49 2k7pA21 ILE 1844 HD13 -0.10 0.00 -0.16 -0.04 0.88 0.58 2k7pA21 ARG 1845 H -0.09 0.75 0.27 -0.55 8.46 8.85 2k7pA21 ARG 1845 HA -0.03 0.10 0.68 -0.75 4.34 4.33 2k7pA21 ARG 1845 HB2 0.06 -0.03 -0.67 -0.04 1.90 1.21 2k7pA21 ARG 1845 HB3 -0.03 0.03 -0.44 -0.04 1.80 1.32 2k7pA21 ARG 1845 HG2 0.03 0.09 -0.26 -0.04 1.67 1.48 2k7pA21 ARG 1845 HG3 -0.08 -0.03 -0.28 -0.04 1.67 1.24 2k7pA21 ARG 1845 HD2 -0.03 0.06 -0.02 -0.04 3.22 3.18 2k7pA21 ARG 1845 HD3 -0.00 -0.17 -0.23 -0.04 3.22 2.78 2k7pA21 TYR 1846 H 0.14 0.73 0.17 -0.55 8.29 8.78 2k7pA21 TYR 1846 HA 0.01 0.17 0.96 -0.75 4.56 4.95 2k7pA21 TYR 1846 HB2 -0.02 -0.03 -0.01 -0.04 3.06 2.96 2k7pA21 TYR 1846 HB3 0.13 0.09 0.11 -0.04 2.98 3.27 2k7pA21 TYR 1846 HD2 0.18 0.03 -0.20 -0.04 7.15 7.12 2k7pA21 TYR 1846 HE2 0.11 -0.01 -0.07 -0.04 6.85 6.83 2k7pA21 ASP 1847 H -0.34 0.67 0.33 -0.55 8.40 8.52 2k7pA21 ASP 1847 HA -0.13 0.04 0.38 -0.75 4.63 4.16 2k7pA21 ASP 1847 HB2 -0.27 -0.11 0.09 -0.04 2.71 2.37 2k7pA21 ASP 1847 HB3 0.08 0.13 0.04 -0.04 2.70 2.91 2k7pA21 ASN 1848 H -0.02 0.10 -0.33 -0.55 8.53 7.73 2k7pA21 ASN 1848 HA 0.03 -0.00 0.10 -0.75 4.76 4.13 2k7pA21 ASN 1848 HB2 0.03 -0.01 0.07 -0.04 2.88 2.93 2k7pA21 ASN 1848 HB3 0.01 -0.06 -0.14 -0.04 2.79 2.56 2k7pA21 ASN 1848 HD21 0.01 -0.09 -0.17 -0.04 7.03 6.74 2k7pA21 ASN 1848 HD22 0.02 -0.02 -0.05 -0.04 7.74 7.65 2k7pA21 MET 1849 H 0.10 0.45 -0.70 -0.55 8.47 7.77 2k7pA21 MET 1849 HA 0.12 0.07 0.74 -0.75 4.52 4.70 2k7pA21 MET 1849 HB2 0.15 0.09 0.09 -0.04 2.15 2.44 2k7pA21 MET 1849 HB3 0.11 0.02 0.02 -0.04 2.03 2.14 2k7pA21 MET 1849 HG2 0.06 -0.02 -0.04 -0.04 2.63 2.59 2k7pA21 MET 1849 HG3 0.08 0.14 -0.03 -0.04 2.56 2.71 2k7pA21 MET 1849 HE3 0.04 -0.00 0.01 -0.04 2.10 2.11 2k7pA21 HIS 1850 H 0.25 0.12 0.14 -0.55 8.41 8.37 2k7pA21 HIS 1850 HA 0.01 0.10 0.53 -0.75 4.63 4.52 2k7pA21 HIS 1850 HB2 0.03 -0.05 0.13 -0.04 3.26 3.33 2k7pA21 HIS 1850 HB3 0.02 0.15 0.02 -0.04 3.20 3.34 2k7pA21 HIS 1850 HD2 0.02 -0.03 -0.04 -0.04 6.97 6.87 2k7pA21 HIS 1850 HE1 0.02 -0.00 -0.04 -0.04 7.75 7.68 2k7pA21 ILE 1851 H -0.04 0.32 0.26 -0.55 8.25 8.24 2k7pA21 ILE 1851 HA 0.04 0.13 0.64 -0.75 4.18 4.23 2k7pA21 ILE 1851 HB -0.34 0.10 0.01 -0.04 1.89 1.62 2k7pA21 ILE 1851 HG12 -0.17 0.01 -0.12 -0.04 1.49 1.16 2k7pA21 ILE 1851 HG13 -0.10 -0.04 -0.41 -0.04 1.21 0.61 2k7pA21 ILE 1851 HG23 -0.41 -0.03 -0.10 -0.04 0.93 0.34 2k7pA21 ILE 1851 HD13 -0.31 0.01 -0.19 -0.04 0.88 0.34 2k7pA21 PRO 1852 HA 0.09 0.06 0.60 -0.51 4.44 4.68 2k7pA21 PRO 1852 HB2 0.11 0.01 0.06 -0.04 2.28 2.43 2k7pA21 PRO 1852 HB3 0.09 0.01 0.16 -0.04 2.02 2.24 2k7pA21 PRO 1852 HG2 0.20 0.06 0.13 -0.04 2.03 2.38 2k7pA21 PRO 1852 HG3 0.15 0.04 0.12 -0.04 2.03 2.30 2k7pA21 PRO 1852 HD2 0.17 0.04 0.23 -0.04 3.68 4.08 2k7pA21 PRO 1852 HD3 0.14 0.16 0.19 -0.04 3.65 4.09 2k7pA21 GLY 1853 H 0.10 0.17 0.11 -0.55 8.43 8.27 2k7pA21 GLY 1853 HA2 0.18 0.04 0.22 -0.51 4.01 3.95 2k7pA21 GLY 1853 HA3 0.27 0.13 0.64 -0.51 4.01 4.55 2k7pA21 SER 1854 H 0.06 0.39 -0.14 -0.55 8.46 8.22 2k7pA21 SER 1854 HA 0.02 0.01 0.58 -0.75 4.49 4.35 2k7pA21 SER 1854 HB2 -0.08 -0.03 0.14 -0.04 3.95 3.94 2k7pA21 SER 1854 HB3 0.01 0.06 0.15 -0.04 3.93 4.11 2k7pA21 PRO 1855 HA 0.01 0.03 0.53 -0.51 4.44 4.50 2k7pA21 PRO 1855 HB2 0.07 0.01 -0.17 -0.04 2.28 2.15 2k7pA21 PRO 1855 HB3 0.04 -0.07 0.00 -0.04 2.02 1.95 2k7pA21 PRO 1855 HG2 0.08 0.05 0.02 -0.04 2.03 2.14 2k7pA21 PRO 1855 HG3 0.08 -0.01 0.02 -0.04 2.03 2.08 2k7pA21 PRO 1855 HD2 0.10 0.11 0.37 -0.04 3.68 4.21 2k7pA21 PRO 1855 HD3 0.13 0.03 0.10 -0.04 3.65 3.87 2k7pA21 LEU 1856 H 0.07 0.55 0.32 -0.55 8.37 8.76 2k7pA21 LEU 1856 HA 0.16 0.28 0.81 -0.75 4.35 4.85 2k7pA21 LEU 1856 HB2 0.13 -0.11 0.20 -0.04 1.64 1.83 2k7pA21 LEU 1856 HB3 0.21 0.01 0.01 -0.04 1.64 1.82 2k7pA21 LEU 1856 HG 0.00 -0.05 -0.07 -0.04 1.64 1.49 2k7pA21 LEU 1856 HD13 -0.17 -0.03 -0.13 -0.04 0.93 0.55 2k7pA21 LEU 1856 HD23 0.04 0.04 -0.06 -0.04 0.89 0.86 2k7pA21 GLN 1857 H 0.19 0.38 0.37 -0.55 8.47 8.87 2k7pA21 GLN 1857 HA 0.21 0.16 0.99 -0.75 4.36 4.96 2k7pA21 GLN 1857 HB2 0.15 0.26 0.33 -0.04 2.15 2.84 2k7pA21 GLN 1857 HB3 0.14 -0.05 0.14 -0.04 2.02 2.21 2k7pA21 GLN 1857 HG2 0.10 0.01 0.02 -0.04 2.40 2.48 2k7pA21 GLN 1857 HG3 0.11 -0.05 -0.20 -0.04 2.39 2.21 2k7pA21 GLN 1857 HE21 0.07 0.02 0.01 -0.04 6.97 7.02 2k7pA21 GLN 1857 HE22 0.06 -0.04 -0.02 -0.04 7.69 7.65 2k7pA21 PHE 1858 H 0.18 0.57 0.38 -0.55 8.34 8.92 2k7pA21 PHE 1858 HA 0.06 0.09 0.62 -0.75 4.62 4.64 2k7pA21 PHE 1858 HB2 -0.16 -0.01 0.08 -0.04 3.15 3.02 2k7pA21 PHE 1858 HB3 -0.20 0.06 -0.42 -0.04 3.06 2.46 2k7pA21 PHE 1858 HD2 -0.42 0.05 -0.16 -0.04 7.28 6.72 2k7pA21 PHE 1858 HE2 -0.40 0.03 -0.19 -0.04 7.38 6.78 2k7pA21 PHE 1858 HZ -0.26 -0.04 -0.15 -0.04 7.32 6.83 2k7pA21 TYR 1859 H 0.16 0.19 0.19 -0.55 8.29 8.27 2k7pA21 TYR 1859 HA -0.26 0.19 0.90 -0.75 4.56 4.64 2k7pA21 TYR 1859 HB2 0.23 -0.01 0.04 -0.04 3.06 3.28 2k7pA21 TYR 1859 HB3 0.19 0.06 0.13 -0.04 2.98 3.32 2k7pA21 TYR 1859 HD2 0.01 -0.02 -0.24 -0.04 7.15 6.86 2k7pA21 TYR 1859 HE2 -0.02 -0.06 -0.04 -0.04 6.85 6.69 2k7pA21 VAL 1860 H -0.79 0.75 0.31 -0.55 8.24 7.96 2k7pA21 VAL 1860 HA -0.27 0.15 0.79 -0.75 4.13 4.05 2k7pA21 VAL 1860 HB -0.45 -0.04 0.21 -0.04 2.12 1.80 2k7pA21 VAL 1860 HG13 -0.23 -0.01 -0.11 -0.04 0.97 0.58 2k7pA21 VAL 1860 HG23 -0.84 0.01 -0.05 -0.04 0.95 0.03 2k7pA21 ASP 1861 H -0.14 0.28 0.25 -0.55 8.40 8.24 2k7pA21 ASP 1861 HA -0.15 0.06 0.74 -0.75 4.63 4.53 2k7pA21 ASP 1861 HB2 0.33 0.04 -0.27 -0.04 2.71 2.77 2k7pA21 ASP 1861 HB3 0.09 0.04 -0.02 -0.04 2.70 2.76 2k7pA21 TYR 1862 H 0.13 0.12 0.13 -0.55 8.29 8.12 2k7pA21 TYR 1862 HA 0.02 0.16 0.65 -0.75 4.56 4.63 2k7pA21 TYR 1862 HB2 0.07 0.09 -0.03 -0.04 3.06 3.15 2k7pA21 TYR 1862 HB3 0.03 -0.05 0.07 -0.04 2.98 2.99 2k7pA21 TYR 1862 HD2 0.12 0.15 -0.01 -0.04 7.15 7.37 2k7pA21 TYR 1862 HE2 0.05 0.01 -0.04 -0.04 6.85 6.83 2k7pA21 VAL 1863 H 0.11 0.72 0.29 -0.55 8.24 8.81 2k7pA21 VAL 1863 HA 0.01 0.08 0.55 -0.75 4.13 4.02 2k7pA21 VAL 1863 HB 0.02 0.08 0.05 -0.04 2.12 2.23 2k7pA21 VAL 1863 HG13 0.04 -0.04 -0.10 -0.04 0.97 0.83 2k7pA21 VAL 1863 HG23 0.01 -0.02 -0.00 -0.04 0.95 0.90 2k7pA21 ASN 1864 H 0.11 -0.02 -0.21 -0.55 8.53 7.86 2k7pA21 ASN 1864 HA 0.01 0.17 0.51 -0.75 4.76 4.70 2k7pA21 ASN 1864 HB2 0.02 -0.06 -0.07 -0.04 2.88 2.73 2k7pA21 ASN 1864 HB3 -0.02 0.01 0.04 -0.04 2.79 2.79 2k7pA21 ASN 1864 HD21 0.00 0.02 -0.09 -0.04 7.03 6.92 2k7pA21 ASN 1864 HD22 -0.00 0.03 -0.01 -0.04 7.74 7.71 2k7pA21 CYS 1865 H -0.03 0.00 0.06 -0.55 8.50 7.99 2k7pA21 CYS 1865 HA -0.04 -0.04 0.36 -0.75 4.58 4.10 2k7pA21 CYS 1865 HB2 -0.19 0.28 0.06 -0.04 2.97 3.08 2k7pA21 CYS 1865 HB3 -0.01 -0.11 0.11 -0.04 2.97 2.93 2k7pA21 GLY 1866 H -0.03 0.07 0.13 -0.55 8.43 8.05 2k7pA21 GLY 1866 HA2 -0.04 0.16 0.52 -0.51 4.01 4.15 2k7pA21 GLY 1866 HA3 -0.01 0.00 0.27 -0.51 4.01 3.76 2k7pA21 HIS 1867 H -0.18 -0.04 -0.07 -0.55 8.41 7.58 2k7pA21 HIS 1867 HA 0.05 0.03 0.42 -0.75 4.63 4.38 2k7pA21 HIS 1867 HB2 0.07 0.10 0.10 -0.04 3.26 3.49 2k7pA21 HIS 1867 HB3 0.06 -0.06 0.10 -0.04 3.20 3.26 2k7pA21 HIS 1867 HD2 0.12 0.25 -0.31 -0.04 6.97 6.99 2k7pA21 HIS 1867 HE1 0.26 -0.05 0.00 -0.04 7.75 7.92 2k7pA21 VAL 1868 H 0.17 0.04 0.18 -0.55 8.24 8.09 2k7pA21 VAL 1868 HA 0.16 0.21 0.62 -0.75 4.13 4.36 2k7pA21 VAL 1868 HB 0.16 -0.02 0.05 -0.04 2.12 2.27 2k7pA21 VAL 1868 HG13 0.22 0.00 0.02 -0.04 0.97 1.17 2k7pA21 VAL 1868 HG23 0.15 -0.01 0.09 -0.04 0.95 1.13 2k7pA21 THR 1869 H 0.16 0.35 0.34 -0.55 8.28 8.59 2k7pA21 THR 1869 HA 0.19 0.13 0.64 -0.75 4.39 4.60 2k7pA21 THR 1869 HB 0.34 0.12 -0.27 -0.04 4.32 4.47 2k7pA21 THR 1869 HG23 0.26 0.01 -0.09 -0.04 1.22 1.36 2k7pA21 ALA 1870 H 0.22 0.33 0.20 -0.55 8.40 8.60 2k7pA21 ALA 1870 HA -0.04 0.17 0.98 -0.75 4.34 4.69 2k7pA21 ALA 1870 HB3 0.01 0.00 -0.02 -0.04 1.41 1.36 2k7pA21 TYR 1871 H -0.20 0.67 0.41 -0.55 8.29 8.62 2k7pA21 TYR 1871 HA -0.07 0.12 0.67 -0.75 4.56 4.52 2k7pA21 TYR 1871 HB2 0.09 -0.01 0.12 -0.04 3.06 3.22 2k7pA21 TYR 1871 HB3 0.08 0.17 -0.12 -0.04 2.98 3.07 2k7pA21 TYR 1871 HD2 0.08 -0.01 -0.30 -0.04 7.15 6.88 2k7pA21 TYR 1871 HE2 0.06 0.00 -0.11 -0.04 6.85 6.76 2k7pA21 GLY 1872 H 0.24 0.22 0.22 -0.55 8.43 8.57 2k7pA21 GLY 1872 HA2 0.20 0.10 0.45 -0.51 4.01 4.25 2k7pA21 GLY 1872 HA3 0.17 0.05 0.92 -0.51 4.01 4.64 2k7pA21 PRO 1873 HA 0.11 0.10 0.40 -0.51 4.44 4.54 2k7pA21 PRO 1873 HB2 0.08 0.10 0.17 -0.04 2.28 2.58 2k7pA21 PRO 1873 HB3 0.05 0.02 0.26 -0.04 2.02 2.31 2k7pA21 PRO 1873 HG2 0.09 0.10 0.30 -0.04 2.03 2.49 2k7pA21 PRO 1873 HG3 0.06 0.02 0.19 -0.04 2.03 2.25 2k7pA21 PRO 1873 HD2 0.13 0.15 0.37 -0.04 3.68 4.29 2k7pA21 PRO 1873 HD3 0.10 0.13 0.31 -0.04 3.65 4.14 2k7pA21 GLY 1874 H 0.21 0.55 0.11 -0.55 8.43 8.76 2k7pA21 GLY 1874 HA2 0.19 0.29 0.30 -0.51 4.01 4.28 2k7pA21 GLY 1874 HA3 0.44 -0.04 0.06 -0.51 4.01 3.95 2k7pA21 LEU 1875 H -0.16 0.14 -0.36 -0.55 8.37 7.45 2k7pA21 LEU 1875 HA -0.27 0.09 0.38 -0.75 4.35 3.79 2k7pA21 LEU 1875 HB2 -0.63 -0.02 -0.02 -0.04 1.64 0.93 2k7pA21 LEU 1875 HB3 -1.64 -0.07 -0.12 -0.04 1.64 -0.23 2k7pA21 LEU 1875 HG -0.36 0.11 -0.12 -0.04 1.64 1.23 2k7pA21 LEU 1875 HD13 -0.36 0.02 -0.17 -0.04 0.93 0.38 2k7pA21 LEU 1875 HD23 -0.91 -0.01 -0.23 -0.04 0.89 -0.30 2k7pA21 THR 1876 H 0.06 0.21 -0.39 -0.55 8.28 7.61 2k7pA21 THR 1876 HA 0.14 0.34 0.91 -0.75 4.39 5.03 2k7pA21 THR 1876 HB 0.18 0.08 0.21 -0.04 4.32 4.74 2k7pA21 THR 1876 HG23 0.28 -0.05 -0.08 -0.04 1.22 1.34 2k7pA21 HIS 1877 H 0.17 0.55 0.26 -0.55 8.41 8.84 2k7pA21 HIS 1877 HA 0.07 0.17 0.91 -0.75 4.63 5.03 2k7pA21 HIS 1877 HB2 0.04 0.02 -0.18 -0.04 3.26 3.10 2k7pA21 HIS 1877 HB3 0.03 -0.05 0.06 -0.04 3.20 3.19 2k7pA21 HIS 1877 HD2 0.03 0.08 0.16 -0.04 6.97 7.18 2k7pA21 HIS 1877 HE1 0.01 -0.07 -0.01 -0.04 7.75 7.63 2k7pA21 GLY 1878 H -0.55 0.66 0.28 -0.55 8.43 8.28 2k7pA21 GLY 1878 HA2 -0.11 0.13 0.66 -0.51 4.01 4.17 2k7pA21 GLY 1878 HA3 -0.15 -0.01 0.28 -0.51 4.01 3.62 2k7pA21 VAL 1879 H -0.16 0.33 0.13 -0.55 8.24 7.98 2k7pA21 VAL 1879 HA -0.09 0.02 0.65 -0.75 4.13 3.95 2k7pA21 VAL 1879 HB 0.00 0.07 -0.10 -0.04 2.12 2.05 2k7pA21 VAL 1879 HG13 -0.02 0.00 -0.08 -0.04 0.97 0.83 2k7pA21 VAL 1879 HG23 0.00 0.03 -0.21 -0.04 0.95 0.73 2k7pA21 VAL 1880 H -0.03 0.59 0.15 -0.55 8.24 8.40 2k7pA21 VAL 1880 HA -0.05 0.08 0.13 -0.75 4.13 3.54 2k7pA21 VAL 1880 HB 0.00 0.10 -0.14 -0.04 2.12 2.04 2k7pA21 VAL 1880 HG13 0.02 0.03 -0.45 -0.04 0.97 0.53 2k7pA21 VAL 1880 HG23 0.00 0.01 0.06 -0.04 0.95 0.99 2k7pA21 ASN 1881 H -0.03 0.54 0.26 -0.55 8.53 8.75 2k7pA21 ASN 1881 HA -0.02 0.01 0.34 -0.75 4.76 4.34 2k7pA21 ASN 1881 HB2 -0.01 0.13 -0.05 -0.04 2.88 2.90 2k7pA21 ASN 1881 HB3 -0.01 -0.03 0.16 -0.04 2.79 2.86 2k7pA21 ASN 1881 HD21 -0.00 -0.01 -0.17 -0.04 7.03 6.81 2k7pA21 ASN 1881 HD22 0.01 0.02 -0.03 -0.04 7.74 7.70 2k7pA21 LYS 1882 H -0.07 0.29 -0.49 -0.55 8.42 7.59 2k7pA21 LYS 1882 HA -0.05 0.11 0.77 -0.75 4.32 4.39 2k7pA21 LYS 1882 HB2 -0.06 0.06 -0.04 -0.04 1.87 1.78 2k7pA21 LYS 1882 HB3 -0.06 0.05 0.01 -0.04 1.79 1.75 2k7pA21 LYS 1882 HG2 -0.03 -0.01 0.01 -0.04 1.46 1.39 2k7pA21 LYS 1882 HG3 -0.03 0.02 -0.26 -0.04 1.46 1.15 2k7pA21 LYS 1882 HD2 -0.02 -0.00 -0.07 -0.04 1.69 1.56 2k7pA21 LYS 1882 HD3 -0.02 -0.01 -0.03 -0.04 1.68 1.58 2k7pA21 LYS 1882 HE2 -0.01 -0.02 -0.02 -0.04 2.99 2.90 2k7pA21 LYS 1882 HE3 -0.02 -0.03 -0.01 -0.04 2.99 2.89 2k7pA21 PRO 1883 HA -0.18 0.23 0.64 -0.51 4.44 4.62 2k7pA21 PRO 1883 HB2 -0.09 -0.01 -0.04 -0.04 2.28 2.10 2k7pA21 PRO 1883 HB3 -0.08 -0.02 0.01 -0.04 2.02 1.89 2k7pA21 PRO 1883 HG2 -0.06 0.01 0.10 -0.04 2.03 2.05 2k7pA21 PRO 1883 HG3 -0.05 0.01 0.05 -0.04 2.03 1.99 2k7pA21 PRO 1883 HD2 -0.05 0.09 0.23 -0.04 3.68 3.91 2k7pA21 PRO 1883 HD3 -0.05 0.13 0.13 -0.04 3.65 3.82 2k7pA21 ALA 1884 H -0.44 0.67 0.47 -0.55 8.40 8.56 2k7pA21 ALA 1884 HA -0.13 0.12 0.88 -0.75 4.34 4.46 2k7pA21 ALA 1884 HB3 -0.52 0.01 0.16 -0.04 1.41 1.02 2k7pA21 THR 1885 H 0.03 0.19 0.25 -0.55 8.28 8.21 2k7pA21 THR 1885 HA -0.03 0.29 0.99 -0.75 4.39 4.89 2k7pA21 THR 1885 HB -0.03 0.04 0.09 -0.04 4.32 4.39 2k7pA21 THR 1885 HG23 -0.06 0.01 -0.16 -0.04 1.22 0.97 2k7pA21 PHE 1886 H -0.19 0.59 0.37 -0.55 8.34 8.56 2k7pA21 PHE 1886 HA -0.02 0.07 0.60 -0.75 4.62 4.51 2k7pA21 PHE 1886 HB2 -0.06 0.17 -0.01 -0.04 3.15 3.21 2k7pA21 PHE 1886 HB3 0.02 -0.13 -0.18 -0.04 3.06 2.73 2k7pA21 PHE 1886 HD2 0.02 0.02 -0.37 -0.04 7.28 6.91 2k7pA21 PHE 1886 HE2 -0.02 0.03 -0.28 -0.04 7.38 7.07 2k7pA21 PHE 1886 HZ -0.06 0.02 -0.21 -0.04 7.32 7.04 2k7pA21 THR 1887 H 0.09 0.73 0.43 -0.55 8.28 8.98 2k7pA21 THR 1887 HA -0.13 0.18 1.07 -0.75 4.39 4.76 2k7pA21 THR 1887 HB -0.47 0.05 0.08 -0.04 4.32 3.94 2k7pA21 THR 1887 HG23 -0.17 -0.01 -0.15 -0.04 1.22 0.86 2k7pA21 VAL 1888 H -0.11 0.84 0.41 -0.55 8.24 8.83 2k7pA21 VAL 1888 HA -0.05 0.21 1.04 -0.75 4.13 4.57 2k7pA21 VAL 1888 HB -0.05 -0.06 0.12 -0.04 2.12 2.09 2k7pA21 VAL 1888 HG13 0.01 0.01 -0.13 -0.04 0.97 0.83 2k7pA21 VAL 1888 HG23 0.06 0.00 -0.16 -0.04 0.95 0.82 2k7pA21 ASN 1889 H 0.02 0.79 0.34 -0.55 8.53 9.14 2k7pA21 ASN 1889 HA 0.02 -0.03 0.86 -0.75 4.76 4.86 2k7pA21 ASN 1889 HB2 0.15 0.08 0.19 -0.04 2.88 3.26 2k7pA21 ASN 1889 HB3 0.10 0.02 0.04 -0.04 2.79 2.91 2k7pA21 ASN 1889 HD21 -0.18 -0.13 -0.37 -0.04 7.03 6.32 2k7pA21 ASN 1889 HD22 -0.03 0.02 -0.16 -0.04 7.74 7.53 2k7pA21 THR 1890 H 0.05 0.22 0.33 -0.55 8.28 8.32 2k7pA21 THR 1890 HA 0.22 0.13 0.72 -0.75 4.39 4.70 2k7pA21 THR 1890 HB 0.19 -0.04 0.10 -0.04 4.32 4.53 2k7pA21 THR 1890 HG23 -0.11 0.01 -0.19 -0.04 1.22 0.90 2k7pA21 LYS 1891 H 0.07 0.06 0.11 -0.55 8.42 8.10 2k7pA21 LYS 1891 HA 0.05 0.13 0.29 -0.75 4.32 4.04 2k7pA21 LYS 1891 HB2 0.04 0.02 0.09 -0.04 1.87 1.98 2k7pA21 LYS 1891 HB3 0.04 -0.03 0.09 -0.04 1.79 1.84 2k7pA21 LYS 1891 HG2 0.03 -0.00 -0.14 -0.04 1.46 1.31 2k7pA21 LYS 1891 HG3 0.03 -0.00 0.09 -0.04 1.46 1.54 2k7pA21 LYS 1891 HD2 0.03 0.13 0.08 -0.04 1.69 1.89 2k7pA21 LYS 1891 HD3 0.03 -0.04 -0.01 -0.04 1.68 1.62 2k7pA21 LYS 1891 HE2 0.02 -0.04 -0.03 -0.04 2.99 2.90 2k7pA21 LYS 1891 HE3 0.02 0.02 -0.01 -0.04 2.99 2.98 2k7pA21 ASP 1892 H 0.05 0.10 -0.13 -0.55 8.40 7.87 2k7pA21 ASP 1892 HA 0.02 0.12 0.51 -0.75 4.63 4.52 2k7pA21 ASP 1892 HB2 0.02 -0.04 0.04 -0.04 2.71 2.69 2k7pA21 ASP 1892 HB3 0.02 0.20 0.04 -0.04 2.70 2.92 2k7pA21 ALA 1893 H 0.06 0.13 -0.31 -0.55 8.40 7.73 2k7pA21 ALA 1893 HA -0.06 0.10 0.61 -0.75 4.34 4.24 2k7pA21 ALA 1893 HB3 -0.09 0.01 0.11 -0.04 1.41 1.39 2k7pA21 GLY 1894 H 0.13 0.34 0.11 -0.55 8.43 8.47 2k7pA21 GLY 1894 HA2 0.13 -0.01 0.27 -0.51 4.01 3.90 2k7pA21 GLY 1894 HA3 0.04 0.10 0.12 -0.51 4.01 3.76 2k7pA21 GLU 1895 H -0.19 0.14 -0.33 -0.55 8.60 7.68 2k7pA21 GLU 1895 HA 0.02 0.07 0.70 -0.75 4.29 4.34 2k7pA21 GLU 1895 HB2 -0.03 0.14 -0.21 -0.04 2.09 1.94 2k7pA21 GLU 1895 HB3 -0.09 0.04 -0.06 -0.04 1.99 1.83 2k7pA21 GLU 1895 HG2 -0.03 0.01 -0.02 -0.04 2.34 2.26 2k7pA21 GLU 1895 HG3 -0.03 -0.05 -0.10 -0.04 2.34 2.11 2k7pA21 GLY 1896 H 0.03 0.13 0.13 -0.55 8.43 8.18 2k7pA21 GLY 1896 HA2 0.04 0.03 0.33 -0.51 4.01 3.91 2k7pA21 GLY 1896 HA3 0.02 0.10 0.70 -0.51 4.01 4.33 2k7pA21 GLY 1897 H 0.12 0.08 0.16 -0.55 8.43 8.24 2k7pA21 GLY 1897 HA2 0.09 0.15 0.70 -0.51 4.01 4.44 2k7pA21 GLY 1897 HA3 0.07 0.03 0.30 -0.51 4.01 3.91 2k7pA21 LEU 1898 H -0.02 0.21 0.12 -0.55 8.37 8.13 2k7pA21 LEU 1898 HA -0.34 0.12 0.80 -0.75 4.35 4.17 2k7pA21 LEU 1898 HB2 -0.82 0.00 0.04 -0.04 1.64 0.82 2k7pA21 LEU 1898 HB3 -0.24 -0.01 0.11 -0.04 1.64 1.46 2k7pA21 LEU 1898 HG -0.39 -0.04 -0.06 -0.04 1.64 1.11 2k7pA21 LEU 1898 HD13 -0.15 0.01 -0.27 -0.04 0.93 0.47 2k7pA21 LEU 1898 HD23 -0.58 0.03 -0.02 -0.04 0.89 0.28 2k7pA21 SER 1899 H -0.09 0.75 0.39 -0.55 8.46 8.97 2k7pA21 SER 1899 HA -0.04 0.13 0.77 -0.75 4.49 4.59 2k7pA21 SER 1899 HB2 -0.04 -0.02 -0.06 -0.04 3.95 3.79 2k7pA21 SER 1899 HB3 -0.03 -0.01 -0.07 -0.04 3.93 3.78 2k7pA21 LEU 1900 H -0.03 0.26 0.13 -0.55 8.37 8.18 2k7pA21 LEU 1900 HA 0.01 0.27 0.80 -0.75 4.35 4.67 2k7pA21 LEU 1900 HB2 -0.03 0.05 -0.29 -0.04 1.64 1.33 2k7pA21 LEU 1900 HB3 -0.03 -0.03 -0.08 -0.04 1.64 1.46 2k7pA21 LEU 1900 HG 0.01 -0.00 -0.32 -0.04 1.64 1.29 2k7pA21 LEU 1900 HD13 0.12 0.03 -0.04 -0.04 0.93 0.99 2k7pA21 LEU 1900 HD23 -0.08 -0.01 -0.17 -0.04 0.89 0.59 2k7pA21 ALA 1901 H 0.03 0.60 0.31 -0.55 8.40 8.78 2k7pA21 ALA 1901 HA 0.01 0.11 0.56 -0.75 4.34 4.26 2k7pA21 ALA 1901 HB3 0.01 0.02 -0.08 -0.04 1.41 1.32 2k7pA21 ILE 1902 H 0.02 0.26 0.16 -0.55 8.25 8.14 2k7pA21 ILE 1902 HA 0.01 0.37 0.84 -0.75 4.18 4.64 2k7pA21 ILE 1902 HB 0.01 -0.02 -0.03 -0.04 1.89 1.81 2k7pA21 ILE 1902 HG12 -0.09 0.07 -0.08 -0.04 1.49 1.35 2k7pA21 ILE 1902 HG13 -0.04 -0.11 -0.53 -0.04 1.21 0.49 2k7pA21 ILE 1902 HG23 0.06 -0.00 -0.31 -0.04 0.93 0.64 2k7pA21 ILE 1902 HD13 -0.59 0.00 -0.23 -0.04 0.88 0.03 2k7pA21 GLU 1903 H 0.03 0.70 0.25 -0.55 8.60 9.03 2k7pA21 GLU 1903 HA 0.00 0.09 0.83 -0.75 4.29 4.46 2k7pA21 GLU 1903 HB2 0.00 0.01 0.16 -0.04 2.09 2.22 2k7pA21 GLU 1903 HB3 -0.02 0.05 0.04 -0.04 1.99 2.01 2k7pA21 GLU 1903 HG2 0.01 0.04 -0.03 -0.04 2.34 2.32 2k7pA21 GLU 1903 HG3 0.01 -0.06 -0.25 -0.04 2.34 2.00 2k7pA21 GLY 1904 H -0.06 0.16 0.06 -0.55 8.43 8.04 2k7pA21 GLY 1904 HA2 -0.44 0.26 0.88 -0.51 4.01 4.19 2k7pA21 GLY 1904 HA3 -0.70 0.06 0.28 -0.51 4.01 3.14 2k7pA21 PRO 1905 HA -0.12 0.09 0.50 -0.51 4.44 4.39 2k7pA21 PRO 1905 HB2 -0.07 0.02 0.01 -0.04 2.28 2.20 2k7pA21 PRO 1905 HB3 -0.12 0.02 0.12 -0.04 2.02 2.00 2k7pA21 PRO 1905 HG2 -0.21 -0.00 -0.05 -0.04 2.03 1.73 2k7pA21 PRO 1905 HG3 -0.16 0.03 -0.06 -0.04 2.03 1.79 2k7pA21 PRO 1905 HD2 -1.62 0.07 0.12 -0.04 3.68 2.21 2k7pA21 PRO 1905 HD3 -0.49 0.39 0.16 -0.04 3.65 3.66 2k7pA21 SER 1906 H -0.20 0.23 -0.13 -0.55 8.46 7.81 2k7pA21 SER 1906 HA -0.01 0.15 0.25 -0.75 4.49 4.12 2k7pA21 SER 1906 HB2 0.02 0.08 -0.01 -0.04 3.95 4.00 2k7pA21 SER 1906 HB3 0.09 -0.09 -0.05 -0.04 3.93 3.84 2k7pA21 LYS 1907 H 0.04 0.14 0.05 -0.55 8.42 8.10 2k7pA21 LYS 1907 HA 0.08 0.02 0.44 -0.75 4.32 4.11 2k7pA21 LYS 1907 HB2 0.03 -0.01 0.09 -0.04 1.87 1.94 2k7pA21 LYS 1907 HB3 0.04 -0.03 0.12 -0.04 1.79 1.89 2k7pA21 LYS 1907 HG2 0.03 -0.05 -0.01 -0.04 1.46 1.39 2k7pA21 LYS 1907 HG3 0.06 0.14 -0.25 -0.04 1.46 1.36 2k7pA21 LYS 1907 HD2 0.06 -0.02 0.12 -0.04 1.69 1.81 2k7pA21 LYS 1907 HD3 0.03 -0.06 0.07 -0.04 1.68 1.68 2k7pA21 LYS 1907 HE2 0.03 -0.08 0.04 -0.04 2.99 2.94 2k7pA21 LYS 1907 HE3 0.04 0.18 0.09 -0.04 2.99 3.26 2k7pA21 ALA 1908 H 0.20 0.11 0.17 -0.55 8.40 8.33 2k7pA21 ALA 1908 HA 0.15 0.20 0.74 -0.75 4.34 4.68 2k7pA21 ALA 1908 HB3 0.24 -0.02 -0.11 -0.04 1.41 1.47 2k7pA21 GLU 1909 H 0.09 0.39 0.26 -0.55 8.60 8.79 2k7pA21 GLU 1909 HA 0.05 0.14 0.81 -0.75 4.29 4.53 2k7pA21 GLU 1909 HB2 0.03 0.01 0.09 -0.04 2.09 2.18 2k7pA21 GLU 1909 HB3 0.04 0.02 0.09 -0.04 1.99 2.10 2k7pA21 GLU 1909 HG2 0.04 0.10 0.16 -0.04 2.34 2.60 2k7pA21 GLU 1909 HG3 0.03 -0.06 -0.08 -0.04 2.34 2.19 2k7pA21 ILE 1910 H 0.04 0.21 0.19 -0.55 8.25 8.15 2k7pA21 ILE 1910 HA 0.08 0.23 0.98 -0.75 4.18 4.72 2k7pA21 ILE 1910 HB 0.02 -0.02 -0.01 -0.04 1.89 1.84 2k7pA21 ILE 1910 HG12 0.07 0.03 -0.33 -0.04 1.49 1.22 2k7pA21 ILE 1910 HG13 0.06 0.02 -0.43 -0.04 1.21 0.83 2k7pA21 ILE 1910 HG23 0.01 0.01 -0.12 -0.04 0.93 0.79 2k7pA21 ILE 1910 HD13 0.02 0.00 -0.10 -0.04 0.88 0.77 2k7pA21 SER 1911 H -0.01 0.80 0.41 -0.55 8.46 9.12 2k7pA21 SER 1911 HA -0.03 0.11 0.52 -0.75 4.49 4.33 2k7pA21 SER 1911 HB2 -0.02 0.05 -0.11 -0.04 3.95 3.83 2k7pA21 SER 1911 HB3 -0.03 -0.02 -0.03 -0.04 3.93 3.80 2k7pA21 CYS 1912 H -0.05 0.26 0.21 -0.55 8.50 8.38 2k7pA21 CYS 1912 HA -0.10 0.13 0.75 -0.75 4.58 4.61 2k7pA21 CYS 1912 HB2 -0.10 0.09 0.08 -0.04 2.97 3.00 2k7pA21 CYS 1912 HB3 -0.11 0.04 -0.12 -0.04 2.97 2.74 2k7pA21 THR 1913 H -0.08 0.69 0.29 -0.55 8.28 8.63 2k7pA21 THR 1913 HA -0.04 0.11 0.85 -0.75 4.39 4.56 2k7pA21 THR 1913 HB -0.05 -0.05 0.02 -0.04 4.32 4.19 2k7pA21 THR 1913 HG23 -0.03 0.02 -0.11 -0.04 1.22 1.06 2k7pA21 ASP 1914 H -0.03 0.17 0.18 -0.55 8.40 8.17 2k7pA21 ASP 1914 HA -0.04 0.13 0.80 -0.75 4.63 4.78 2k7pA21 ASP 1914 HB2 -0.02 -0.02 0.14 -0.04 2.71 2.77 2k7pA21 ASP 1914 HB3 -0.02 0.09 -0.00 -0.04 2.70 2.73 2k7pA21 ASN 1915 H -0.02 0.69 0.40 -0.55 8.53 9.05 2k7pA21 ASN 1915 HA -0.01 0.13 0.74 -0.75 4.76 4.87 2k7pA21 ASN 1915 HB2 -0.01 -0.09 0.15 -0.04 2.88 2.89 2k7pA21 ASN 1915 HB3 -0.01 -0.10 0.11 -0.04 2.79 2.75 2k7pA21 ASN 1915 HD21 -0.03 0.09 -0.26 -0.04 7.03 6.79 2k7pA21 ASN 1915 HD22 -0.04 0.00 -0.11 -0.04 7.74 7.55 2k7pA21 GLN 1916 H -0.00 0.19 0.18 -0.55 8.47 8.29 2k7pA21 GLN 1916 HA 0.00 0.15 0.51 -0.75 4.36 4.27 2k7pA21 GLN 1916 HB2 0.00 -0.01 0.11 -0.04 2.15 2.21 2k7pA21 GLN 1916 HB3 0.00 0.05 0.11 -0.04 2.02 2.15 2k7pA21 GLN 1916 HG2 0.00 0.04 0.04 -0.04 2.40 2.44 2k7pA21 GLN 1916 HG3 -0.00 -0.02 0.08 -0.04 2.39 2.42 2k7pA21 GLN 1916 HE21 0.00 0.01 0.03 -0.04 6.97 6.97 2k7pA21 GLN 1916 HE22 0.00 0.00 0.02 -0.04 7.69 7.67 2k7pA21 ASP 1917 H 0.00 -0.00 -0.23 -0.55 8.40 7.63 2k7pA21 ASP 1917 HA 0.01 0.15 0.50 -0.75 4.63 4.54 2k7pA21 ASP 1917 HB2 0.01 -0.07 0.01 -0.04 2.71 2.62 2k7pA21 ASP 1917 HB3 0.02 0.06 0.07 -0.04 2.70 2.82 2k7pA21 GLY 1918 H 0.01 0.31 -0.50 -0.55 8.43 7.70 2k7pA21 GLY 1918 HA2 0.02 0.09 0.25 -0.51 4.01 3.86 2k7pA21 GLY 1918 HA3 0.02 0.13 0.56 -0.51 4.01 4.22 2k7pA21 THR 1919 H 0.00 0.01 -0.07 -0.55 8.28 7.68 2k7pA21 THR 1919 HA 0.00 -0.01 0.94 -0.75 4.39 4.57 2k7pA21 THR 1919 HB -0.03 0.15 0.03 -0.04 4.32 4.42 2k7pA21 THR 1919 HG23 0.03 0.00 -0.11 -0.04 1.22 1.10 2k7pA21 CYS 1920 H -0.05 0.69 0.40 -0.55 8.50 8.99 2k7pA21 CYS 1920 HA -0.06 0.18 0.98 -0.75 4.58 4.92 2k7pA21 CYS 1920 HB2 -0.09 -0.01 0.18 -0.04 2.97 3.02 2k7pA21 CYS 1920 HB3 -0.10 0.06 -0.02 -0.04 2.97 2.88 2k7pA21 SER 1921 H -0.08 0.74 0.41 -0.55 8.46 8.99 2k7pA21 SER 1921 HA -0.13 0.16 1.00 -0.75 4.49 4.77 2k7pA21 SER 1921 HB2 -0.06 -0.05 0.10 -0.04 3.95 3.90 2k7pA21 SER 1921 HB3 -0.07 -0.04 0.12 -0.04 3.93 3.90 2k7pA21 VAL 1922 H -0.25 0.66 0.45 -0.55 8.24 8.55 2k7pA21 VAL 1922 HA -0.24 0.18 1.01 -0.75 4.13 4.32 2k7pA21 VAL 1922 HB -1.35 -0.06 -0.05 -0.04 2.12 0.62 2k7pA21 VAL 1922 HG13 -0.57 0.02 -0.15 -0.04 0.97 0.24 2k7pA21 VAL 1922 HG23 -0.33 -0.00 -0.28 -0.04 0.95 0.30 2k7pA21 SER 1923 H -0.15 0.76 0.37 -0.55 8.46 8.90 2k7pA21 SER 1923 HA -0.08 0.29 0.78 -0.75 4.49 4.73 2k7pA21 SER 1923 HB2 -0.07 0.03 0.02 -0.04 3.95 3.89 2k7pA21 SER 1923 HB3 -0.08 0.00 -0.06 -0.04 3.93 3.76 2k7pA21 TYR 1924 H -0.09 0.63 0.37 -0.55 8.29 8.64 2k7pA21 TYR 1924 HA -0.03 0.18 0.74 -0.75 4.56 4.70 2k7pA21 TYR 1924 HB2 0.02 0.08 0.01 -0.04 3.06 3.13 2k7pA21 TYR 1924 HB3 0.02 -0.03 -0.21 -0.04 2.98 2.72 2k7pA21 TYR 1924 HD2 0.05 -0.04 -0.31 -0.04 7.15 6.81 2k7pA21 TYR 1924 HE2 -0.06 -0.04 -0.25 -0.04 6.85 6.46 2k7pA21 LEU 1925 H 0.12 0.65 0.21 -0.55 8.37 8.80 2k7pA21 LEU 1925 HA -0.15 0.31 0.87 -0.75 4.35 4.63 2k7pA21 LEU 1925 HB2 -0.01 -0.05 -0.08 -0.04 1.64 1.46 2k7pA21 LEU 1925 HB3 0.00 -0.06 0.09 -0.04 1.64 1.63 2k7pA21 LEU 1925 HG -0.08 0.01 -0.34 -0.04 1.64 1.19 2k7pA21 LEU 1925 HD13 -0.02 -0.01 -0.12 -0.04 0.93 0.73 2k7pA21 LEU 1925 HD23 -0.05 0.06 -0.27 -0.04 0.89 0.60 2k7pA21 PRO 1926 HA 0.06 0.10 0.63 -0.51 4.44 4.72 2k7pA21 PRO 1926 HB2 -0.29 0.03 -0.07 -0.04 2.28 1.91 2k7pA21 PRO 1926 HB3 -0.49 0.04 -0.03 -0.04 2.02 1.51 2k7pA21 PRO 1926 HG2 -0.16 -0.01 -0.24 -0.04 2.03 1.58 2k7pA21 PRO 1926 HG3 -0.25 0.02 -0.10 -0.04 2.03 1.66 2k7pA21 PRO 1926 HD2 -0.21 0.37 0.30 -0.04 3.68 4.09 2k7pA21 PRO 1926 HD3 -0.42 0.14 -0.03 -0.04 3.65 3.30 2k7pA21 VAL 1927 H 0.16 0.12 0.08 -0.55 8.24 8.04 2k7pA21 VAL 1927 HA 0.03 0.12 0.81 -0.75 4.13 4.33 2k7pA21 VAL 1927 HB 0.06 0.06 -0.17 -0.04 2.12 2.02 2k7pA21 VAL 1927 HG13 0.10 0.01 -0.12 -0.04 0.97 0.91 2k7pA21 VAL 1927 HG23 0.03 0.00 0.01 -0.04 0.95 0.96 2k7pA21 LEU 1928 H 0.20 0.11 0.11 -0.55 8.37 8.23 2k7pA21 LEU 1928 HA 0.07 0.15 0.62 -0.75 4.35 4.43 2k7pA21 LEU 1928 HB2 0.06 0.06 0.08 -0.04 1.64 1.80 2k7pA21 LEU 1928 HB3 0.06 0.02 -0.18 -0.04 1.64 1.50 2k7pA21 LEU 1928 HG 0.11 -0.14 -0.09 -0.04 1.64 1.48 2k7pA21 LEU 1928 HD13 0.05 0.01 -0.27 -0.04 0.93 0.68 2k7pA21 LEU 1928 HD23 0.03 0.01 -0.13 -0.04 0.89 0.76 2k7pA21 PRO 1929 HA 0.11 0.08 0.17 -0.51 4.44 4.30 2k7pA21 PRO 1929 HB2 0.06 0.09 0.01 -0.04 2.28 2.40 2k7pA21 PRO 1929 HB3 0.05 -0.11 -0.25 -0.04 2.02 1.66 2k7pA21 PRO 1929 HG2 0.05 0.06 0.08 -0.04 2.03 2.17 2k7pA21 PRO 1929 HG3 0.04 -0.02 0.05 -0.04 2.03 2.05 2k7pA21 PRO 1929 HD2 0.05 0.10 0.19 -0.04 3.68 3.98 2k7pA21 PRO 1929 HD3 0.05 0.09 0.09 -0.04 3.65 3.83 2k7pA21 GLY 1930 H 0.15 0.49 0.34 -0.55 8.43 8.87 2k7pA21 GLY 1930 HA2 0.08 0.02 0.37 -0.51 4.01 3.97 2k7pA21 GLY 1930 HA3 0.07 0.09 0.55 -0.51 4.01 4.21 2k7pA21 ASP 1931 H 0.03 0.13 0.18 -0.55 8.40 8.20 2k7pA21 ASP 1931 HA 0.16 0.30 0.90 -0.75 4.63 5.24 2k7pA21 ASP 1931 HB2 0.06 0.06 -0.02 -0.04 2.71 2.78 2k7pA21 ASP 1931 HB3 0.06 0.01 0.05 -0.04 2.70 2.78 2k7pA21 TYR 1932 H 0.27 0.77 0.34 -0.55 8.29 9.13 2k7pA21 TYR 1932 HA 0.01 0.17 0.93 -0.75 4.56 4.91 2k7pA21 TYR 1932 HB2 0.02 0.06 0.06 -0.04 3.06 3.15 2k7pA21 TYR 1932 HB3 -0.05 -0.03 -0.15 -0.04 2.98 2.71 2k7pA21 TYR 1932 HD2 0.03 0.04 -0.27 -0.04 7.15 6.91 2k7pA21 TYR 1932 HE2 0.05 0.08 -0.07 -0.04 6.85 6.87 2k7pA21 SER 1933 H 0.03 0.74 0.33 -0.55 8.46 9.02 2k7pA21 SER 1933 HA 0.06 0.32 0.84 -0.75 4.49 4.95 2k7pA21 SER 1933 HB2 0.02 -0.07 0.23 -0.04 3.95 4.09 2k7pA21 SER 1933 HB3 0.03 0.00 -0.02 -0.04 3.93 3.90 2k7pA21 ILE 1934 H 0.07 0.75 0.32 -0.55 8.25 8.85 2k7pA21 ILE 1934 HA 0.02 0.16 0.84 -0.75 4.18 4.45 2k7pA21 ILE 1934 HB 0.03 0.03 0.09 -0.04 1.89 1.99 2k7pA21 ILE 1934 HG12 -0.34 -0.03 -0.16 -0.04 1.49 0.92 2k7pA21 ILE 1934 HG13 -0.16 -0.02 -0.15 -0.04 1.21 0.85 2k7pA21 ILE 1934 HG23 -0.06 -0.03 -0.24 -0.04 0.93 0.56 2k7pA21 ILE 1934 HD13 -0.13 0.01 -0.28 -0.04 0.88 0.44 2k7pA21 LEU 1935 H 0.05 0.76 0.32 -0.55 8.37 8.96 2k7pA21 LEU 1935 HA 0.01 0.06 0.82 -0.75 4.35 4.49 2k7pA21 LEU 1935 HB2 0.02 0.04 -0.12 -0.04 1.64 1.54 2k7pA21 LEU 1935 HB3 -0.00 -0.06 0.03 -0.04 1.64 1.57 2k7pA21 LEU 1935 HG -0.16 0.03 -0.11 -0.04 1.64 1.37 2k7pA21 LEU 1935 HD13 0.06 0.00 -0.14 -0.04 0.93 0.82 2k7pA21 LEU 1935 HD23 -0.23 -0.02 -0.44 -0.04 0.89 0.16 2k7pA21 VAL 1936 H -0.02 0.22 0.12 -0.55 8.24 8.01 2k7pA21 VAL 1936 HA 0.01 0.25 0.81 -0.75 4.13 4.44 2k7pA21 VAL 1936 HB 0.25 -0.02 0.03 -0.04 2.12 2.34 2k7pA21 VAL 1936 HG13 0.08 0.02 -0.10 -0.04 0.97 0.92 2k7pA21 VAL 1936 HG23 0.23 0.01 -0.24 -0.04 0.95 0.90 2k7pA21 LYS 1937 H -0.05 0.56 0.16 -0.55 8.42 8.54 2k7pA21 LYS 1937 HA -0.03 0.19 0.80 -0.75 4.32 4.53 2k7pA21 LYS 1937 HB2 -0.50 0.04 -0.45 -0.04 1.87 0.92 2k7pA21 LYS 1937 HB3 -0.16 -0.04 -0.26 -0.04 1.79 1.29 2k7pA21 LYS 1937 HG2 0.03 0.08 -0.53 -0.04 1.46 1.00 2k7pA21 LYS 1937 HG3 -0.01 0.03 -0.42 -0.04 1.46 1.01 2k7pA21 LYS 1937 HD2 0.02 0.01 -0.40 -0.04 1.69 1.27 2k7pA21 LYS 1937 HD3 0.05 -0.13 -0.26 -0.04 1.68 1.29 2k7pA21 LYS 1937 HE2 0.02 0.05 -0.20 -0.04 2.99 2.82 2k7pA21 LYS 1937 HE3 -0.05 -0.01 -0.23 -0.04 2.99 2.66 2k7pA21 TYR 1938 H 0.13 0.80 0.16 -0.55 8.29 8.83 2k7pA21 TYR 1938 HA 0.00 0.21 0.83 -0.75 4.56 4.85 2k7pA21 TYR 1938 HB2 0.02 -0.03 -0.26 -0.04 3.06 2.76 2k7pA21 TYR 1938 HB3 0.02 0.05 0.04 -0.04 2.98 3.05 2k7pA21 TYR 1938 HD2 0.02 -0.04 -0.22 -0.04 7.15 6.87 2k7pA21 TYR 1938 HE2 0.01 0.04 -0.27 -0.04 6.85 6.59 2k7pA21 ASN 1939 H 0.28 0.39 0.12 -0.55 8.53 8.77 2k7pA21 ASN 1939 HA 0.06 -0.09 0.43 -0.75 4.76 4.40 2k7pA21 ASN 1939 HB2 -0.12 0.10 0.05 -0.04 2.88 2.87 2k7pA21 ASN 1939 HB3 -0.08 0.15 -0.02 -0.04 2.79 2.80 2k7pA21 ASN 1939 HD21 0.01 -0.15 0.10 -0.04 7.03 6.95 2k7pA21 ASN 1939 HD22 -0.01 0.02 0.01 -0.04 7.74 7.72 2k7pA21 GLU 1940 H 0.07 0.07 -0.10 -0.55 8.60 8.10 2k7pA21 GLU 1940 HA 0.06 -0.01 0.16 -0.75 4.29 3.75 2k7pA21 GLU 1940 HB2 0.04 0.00 0.13 -0.04 2.09 2.21 2k7pA21 GLU 1940 HB3 0.04 -0.06 -0.04 -0.04 1.99 1.88 2k7pA21 GLU 1940 HG2 0.02 0.02 -0.30 -0.04 2.34 2.04 2k7pA21 GLU 1940 HG3 0.03 0.08 -0.01 -0.04 2.34 2.39 2k7pA21 GLN 1941 H 0.07 0.33 -0.69 -0.55 8.47 7.63 2k7pA21 GLN 1941 HA 0.09 0.09 0.85 -0.75 4.36 4.64 2k7pA21 GLN 1941 HB2 0.05 0.10 0.10 -0.04 2.15 2.35 2k7pA21 GLN 1941 HB3 0.05 0.05 0.01 -0.04 2.02 2.08 2k7pA21 GLN 1941 HG2 0.03 0.14 -0.13 -0.04 2.40 2.40 2k7pA21 GLN 1941 HG3 0.02 -0.04 0.00 -0.04 2.39 2.33 2k7pA21 GLN 1941 HE21 0.01 -0.01 -0.04 -0.04 6.97 6.90 2k7pA21 GLN 1941 HE22 0.01 -0.04 -0.00 -0.04 7.69 7.61 2k7pA21 HIS 1942 H 0.23 0.14 0.09 -0.55 8.41 8.33 2k7pA21 HIS 1942 HA 0.01 0.04 0.66 -0.75 4.63 4.58 2k7pA21 HIS 1942 HB2 -0.05 -0.04 0.09 -0.04 3.26 3.22 2k7pA21 HIS 1942 HB3 -0.08 0.19 -0.02 -0.04 3.20 3.24 2k7pA21 HIS 1942 HD2 -0.01 -0.05 -0.13 -0.04 6.97 6.73 2k7pA21 HIS 1942 HE1 -0.03 -0.01 -0.11 -0.04 7.75 7.55 2k7pA21 VAL 1943 H 0.02 0.48 0.28 -0.55 8.24 8.48 2k7pA21 VAL 1943 HA 0.05 0.12 0.50 -0.75 4.13 4.04 2k7pA21 VAL 1943 HB 0.10 0.10 -0.16 -0.04 2.12 2.13 2k7pA21 VAL 1943 HG13 0.11 -0.01 -0.22 -0.04 0.97 0.80 2k7pA21 VAL 1943 HG23 0.17 0.03 -0.16 -0.04 0.95 0.96 2k7pA21 PRO 1944 HA -0.22 0.03 0.45 -0.51 4.44 4.18 2k7pA21 PRO 1944 HB2 -0.50 0.01 0.05 -0.04 2.28 1.79 2k7pA21 PRO 1944 HB3 -0.16 0.00 0.14 -0.04 2.02 1.97 2k7pA21 PRO 1944 HG2 -0.07 0.01 0.20 -0.04 2.03 2.12 2k7pA21 PRO 1944 HG3 -0.15 -0.00 0.13 -0.04 2.03 1.96 2k7pA21 PRO 1944 HD2 0.04 0.21 0.23 -0.04 3.68 4.12 2k7pA21 PRO 1944 HD3 -0.03 0.10 0.21 -0.04 3.65 3.89 2k7pA21 GLY 1945 H -0.35 0.15 0.17 -0.55 8.43 7.85 2k7pA21 GLY 1945 HA2 -0.23 -0.03 0.30 -0.51 4.01 3.55 2k7pA21 GLY 1945 HA3 -0.49 0.10 0.59 -0.51 4.01 3.69 2k7pA21 SER 1946 H -0.48 0.46 -0.27 -0.55 8.46 7.62 2k7pA21 SER 1946 HA -1.15 -0.01 0.47 -0.75 4.49 3.05 2k7pA21 SER 1946 HB2 -0.20 -0.04 0.09 -0.04 3.95 3.76 2k7pA21 SER 1946 HB3 -0.09 0.11 0.15 -0.04 3.93 4.06 2k7pA21 PRO 1947 HA -0.13 0.04 0.55 -0.51 4.44 4.39 2k7pA21 PRO 1947 HB2 0.00 0.07 -0.11 -0.04 2.28 2.21 2k7pA21 PRO 1947 HB3 0.04 -0.09 -0.01 -0.04 2.02 1.92 2k7pA21 PRO 1947 HG2 -0.04 0.04 0.06 -0.04 2.03 2.05 2k7pA21 PRO 1947 HG3 0.00 -0.02 0.03 -0.04 2.03 1.99 2k7pA21 PRO 1947 HD2 -0.09 0.10 0.36 -0.04 3.68 4.01 2k7pA21 PRO 1947 HD3 0.02 0.02 0.11 -0.04 3.65 3.75 2k7pA21 PHE 1948 H 0.09 0.51 0.35 -0.55 8.34 8.74 2k7pA21 PHE 1948 HA 0.00 0.17 0.74 -0.75 4.62 4.78 2k7pA21 PHE 1948 HB2 -0.10 -0.06 0.05 -0.04 3.15 3.00 2k7pA21 PHE 1948 HB3 -0.02 0.10 0.07 -0.04 3.06 3.16 2k7pA21 PHE 1948 HD2 -0.03 0.01 -0.04 -0.04 7.28 7.17 2k7pA21 PHE 1948 HE2 -0.04 -0.05 -0.06 -0.04 7.38 7.19 2k7pA21 PHE 1948 HZ -0.08 0.05 -0.11 -0.04 7.32 7.13 2k7pA21 THR 1949 H 0.18 0.20 0.17 -0.55 8.28 8.28 2k7pA21 THR 1949 HA 0.09 0.19 0.96 -0.75 4.39 4.88 2k7pA21 THR 1949 HB 0.10 -0.02 0.15 -0.04 4.32 4.50 2k7pA21 THR 1949 HG23 0.08 -0.01 -0.19 -0.04 1.22 1.06 2k7pA21 ALA 1950 H 0.10 0.63 0.30 -0.55 8.40 8.89 2k7pA21 ALA 1950 HA 0.11 0.24 0.41 -0.75 4.34 4.35 2k7pA21 ALA 1950 HB3 0.08 -0.04 -0.18 -0.04 1.41 1.23 2k7pA21 ARG 1951 H 0.11 0.64 0.21 -0.55 8.46 8.87 2k7pA21 ARG 1951 HA 0.10 0.11 0.86 -0.75 4.34 4.66 2k7pA21 ARG 1951 HB2 0.14 0.19 0.29 -0.04 1.90 2.49 2k7pA21 ARG 1951 HB3 0.09 -0.17 -0.01 -0.04 1.80 1.68 2k7pA21 ARG 1951 HG2 0.11 0.17 -0.29 -0.04 1.67 1.62 2k7pA21 ARG 1951 HG3 0.10 -0.12 -0.12 -0.04 1.67 1.49 2k7pA21 ARG 1951 HD2 0.11 -0.09 -0.41 -0.04 3.22 2.79 2k7pA21 ARG 1951 HD3 0.12 0.14 -0.04 -0.04 3.22 3.39 2k7pA21 VAL 1952 H 0.11 0.77 0.35 -0.55 8.24 8.92 2k7pA21 VAL 1952 HA -0.20 0.10 0.57 -0.75 4.13 3.86 2k7pA21 VAL 1952 HB 0.12 0.01 0.12 -0.04 2.12 2.32 2k7pA21 VAL 1952 HG13 -0.10 -0.04 -0.38 -0.04 0.97 0.42 2k7pA21 VAL 1952 HG23 -0.36 -0.00 -0.18 -0.04 0.95 0.36 2k7pA21 THR 1953 H -0.15 0.52 0.17 -0.55 8.28 8.28 2k7pA21 THR 1953 HA 0.03 0.09 0.77 -0.75 4.39 4.52 2k7pA21 THR 1953 HB 0.07 -0.01 0.10 -0.04 4.32 4.44 2k7pA21 THR 1953 HG23 0.09 0.05 -0.29 -0.04 1.22 1.03 2k7pA21 GLY 1954 H 0.04 0.16 0.18 -0.55 8.43 8.26 2k7pA21 GLY 1954 HA2 0.02 0.03 0.65 -0.51 4.01 4.20 2k7pA21 GLY 1954 HA3 0.03 0.04 0.35 -0.51 4.01 3.91 2k7pA21 ASP 1955 H 0.01 0.12 0.17 -0.55 8.40 8.15 2k7pA21 ASP 1955 HA 0.01 0.18 0.46 -0.75 4.63 4.53 2k7pA21 ASP 1955 HB2 -0.01 0.15 0.06 -0.04 2.71 2.87 2k7pA21 ASP 1955 HB3 -0.00 -0.08 0.03 -0.04 2.70 2.60 2k7pA21 ASP 1956 H 0.01 -0.04 -0.14 -0.55 8.40 7.68 2k7pA21 ASP 1956 HA 0.00 0.01 0.13 -0.75 4.63 4.02 2k7pA21 ASP 1956 HB2 -0.00 -0.01 -0.15 -0.04 2.71 2.51 2k7pA21 ASP 1956 HB3 -0.01 0.18 -0.12 -0.04 2.70 2.71