============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TYR 25 0.840 23.607 37.643 9.725 -99.200 -91.000 PHE 26 1.000 28.538 36.258 17.645 -99.200 -91.000 PHE 30 1.000 34.495 45.071 19.098 -99.200 -91.000 TRP 33 1.040 31.636 35.289 13.451 -99.200 -91.000 TRP6 33 1.020 33.576 33.985 13.084 -99.200 -91.000 HIS 41 0.900 39.803 24.592 1.661 -99.200 -91.000 TRP 49 1.040 25.319 30.663 9.548 -99.200 -91.000 TRP6 49 1.020 24.545 28.571 10.333 -99.200 -91.000 TRP 59 1.040 16.836 26.895 9.297 -99.200 -91.000 TRP6 59 1.020 16.809 28.507 7.569 -99.200 -91.000 PHE 64 1.000 22.120 23.746 -4.820 -99.200 -91.000 TYR 86 0.840 35.511 20.445 15.636 -99.200 -91.000 PHE 90 1.000 26.430 17.464 8.044 -99.200 -91.000 HIS 99 0.900 7.417 28.691 0.322 -99.200 -91.000 TRP 101 1.040 12.237 23.773 4.005 -99.200 -91.000 TRP6 101 1.020 14.207 24.082 2.735 -99.200 -91.000 PHE 104 1.000 20.106 11.568 2.152 -99.200 -91.000 PHE 105 1.000 13.331 10.716 6.267 -99.200 -91.000 PHE 113 1.000 24.080 13.309 5.927 -99.200 -91.000 PHE 120 1.000 42.317 25.800 10.916 -99.200 -91.000 TYR 135 0.840 14.720 27.161 -2.629 -99.200 -91.000 HIS 139 0.900 17.897 21.400 9.050 -99.200 -91.000 TRP 143 1.040 27.609 23.248 19.344 -99.200 -91.000 TRP6 143 1.020 25.308 22.729 19.126 -99.200 -91.000 HIS 145 0.900 36.079 24.359 21.931 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1d7pM1 LEU 2171 HA 0.01 -0.06 0.19 -0.75 4.35 3.73 1d7pM1 LEU 2171 HB2 0.01 -0.02 0.04 -0.04 1.64 1.63 1d7pM1 LEU 2171 HB3 0.01 -0.03 0.09 -0.04 1.64 1.66 1d7pM1 LEU 2171 HG 0.01 0.02 -0.22 -0.04 1.64 1.42 1d7pM1 LEU 2171 HD13 0.01 -0.00 -0.02 -0.04 0.93 0.87 1d7pM1 LEU 2171 HD23 0.01 -0.01 -0.04 -0.04 0.89 0.81 1d7pM1 ASN 2172 H 0.01 0.13 0.05 -0.55 8.53 8.18 1d7pM1 ASN 2172 HA 0.01 0.20 0.90 -0.75 4.76 5.11 1d7pM1 ASN 2172 HB2 0.01 0.03 0.05 -0.04 2.88 2.93 1d7pM1 ASN 2172 HB3 0.01 0.06 0.03 -0.04 2.79 2.85 1d7pM1 ASN 2172 HD21 0.00 0.03 0.03 -0.04 7.03 7.06 1d7pM1 ASN 2172 HD22 0.01 0.09 0.04 -0.04 7.74 7.83 1d7pM1 SER 2173 H 0.00 0.15 0.12 -0.55 8.46 8.19 1d7pM1 SER 2173 HA -0.00 0.15 0.43 -0.75 4.49 4.32 1d7pM1 SER 2173 HB2 -0.00 0.01 0.07 -0.04 3.95 3.98 1d7pM1 SER 2173 HB3 -0.00 0.04 0.09 -0.04 3.93 4.02 1d7pM1 CYS 2174 H -0.00 0.04 -0.25 -0.55 8.50 7.74 1d7pM1 CYS 2174 HA -0.02 0.11 0.40 -0.75 4.58 4.32 1d7pM1 CYS 2174 HB2 -0.01 -0.02 0.05 -0.04 2.97 2.96 1d7pM1 CYS 2174 HB3 -0.00 0.01 0.11 -0.04 2.97 3.04 1d7pM1 SER 2175 H -0.01 0.56 0.04 -0.55 8.46 8.50 1d7pM1 SER 2175 HA -0.02 -0.02 0.38 -0.75 4.49 4.09 1d7pM1 SER 2175 HB2 0.00 0.08 -0.32 -0.04 3.95 3.67 1d7pM1 SER 2175 HB3 0.00 0.08 -0.10 -0.04 3.93 3.88 1d7pM1 MET 2176 H -0.03 0.48 0.33 -0.55 8.47 8.70 1d7pM1 MET 2176 HA -0.01 0.21 0.89 -0.75 4.52 4.86 1d7pM1 MET 2176 HB2 -0.03 0.04 0.15 -0.04 2.15 2.28 1d7pM1 MET 2176 HB3 -0.01 0.06 0.09 -0.04 2.03 2.13 1d7pM1 MET 2176 HG2 -0.01 0.08 0.16 -0.04 2.63 2.81 1d7pM1 MET 2176 HG3 -0.01 -0.03 0.08 -0.04 2.56 2.56 1d7pM1 MET 2176 HE3 -0.00 -0.00 0.06 -0.04 2.10 2.12 1d7pM1 PRO 2177 HA -0.01 0.14 0.57 -0.51 4.44 4.64 1d7pM1 PRO 2177 HB2 0.01 -0.06 0.09 -0.04 2.28 2.28 1d7pM1 PRO 2177 HB3 0.02 -0.02 0.12 -0.04 2.02 2.10 1d7pM1 PRO 2177 HG2 0.01 0.04 0.12 -0.04 2.03 2.16 1d7pM1 PRO 2177 HG3 0.02 0.07 0.09 -0.04 2.03 2.16 1d7pM1 PRO 2177 HD2 -0.00 0.11 0.26 -0.04 3.68 4.00 1d7pM1 PRO 2177 HD3 0.00 0.24 0.25 -0.04 3.65 4.10 1d7pM1 LEU 2178 H -0.02 0.63 0.43 -0.55 8.37 8.87 1d7pM1 LEU 2178 HA -0.05 0.15 0.32 -0.75 4.35 4.01 1d7pM1 LEU 2178 HB2 -0.02 -0.10 0.08 -0.04 1.64 1.56 1d7pM1 LEU 2178 HB3 -0.09 0.02 -0.04 -0.04 1.64 1.49 1d7pM1 LEU 2178 HG -0.12 0.11 -0.16 -0.04 1.64 1.43 1d7pM1 LEU 2178 HD13 -0.51 -0.01 -0.21 -0.04 0.93 0.16 1d7pM1 LEU 2178 HD23 -0.13 -0.01 -0.28 -0.04 0.89 0.43 1d7pM1 GLY 2179 H 0.02 -0.17 0.04 -0.55 8.43 7.78 1d7pM1 GLY 2179 HA2 0.02 0.01 0.15 -0.51 4.01 3.68 1d7pM1 GLY 2179 HA3 0.03 0.26 0.84 -0.51 4.01 4.64 1d7pM1 MET 2180 H 0.03 -0.07 0.22 -0.55 8.47 8.10 1d7pM1 MET 2180 HA 0.02 0.26 0.61 -0.75 4.52 4.65 1d7pM1 MET 2180 HB2 0.01 -0.11 0.41 -0.04 2.15 2.41 1d7pM1 MET 2180 HB3 0.01 0.22 0.16 -0.04 2.03 2.37 1d7pM1 MET 2180 HG2 0.05 -0.22 0.08 -0.04 2.63 2.49 1d7pM1 MET 2180 HG3 0.01 0.01 -0.14 -0.04 2.56 2.40 1d7pM1 MET 2180 HE3 -0.04 0.06 -0.09 -0.04 2.10 1.98 1d7pM1 GLU 2181 H 0.03 -0.04 0.09 -0.55 8.60 8.13 1d7pM1 GLU 2181 HA 0.04 0.24 0.41 -0.75 4.29 4.23 1d7pM1 GLU 2181 HB2 0.06 -0.04 0.11 -0.04 2.09 2.18 1d7pM1 GLU 2181 HB3 0.05 -0.13 0.08 -0.04 1.99 1.95 1d7pM1 GLU 2181 HG2 0.06 -0.04 -0.24 -0.04 2.34 2.08 1d7pM1 GLU 2181 HG3 0.10 0.29 0.02 -0.04 2.34 2.71 1d7pM1 SER 2182 H 0.02 -0.10 -0.23 -0.55 8.46 7.60 1d7pM1 SER 2182 HA 0.02 0.19 0.44 -0.75 4.49 4.39 1d7pM1 SER 2182 HB2 0.01 0.07 0.04 -0.04 3.95 4.03 1d7pM1 SER 2182 HB3 0.01 -0.01 0.02 -0.04 3.93 3.92 1d7pM1 LYS 2183 H 0.02 0.18 -0.54 -0.55 8.42 7.52 1d7pM1 LYS 2183 HA 0.01 0.23 0.23 -0.75 4.32 4.04 1d7pM1 LYS 2183 HB2 0.00 0.28 0.29 -0.04 1.87 2.40 1d7pM1 LYS 2183 HB3 0.00 -0.12 0.14 -0.04 1.79 1.77 1d7pM1 LYS 2183 HG2 0.00 0.11 -0.08 -0.04 1.46 1.45 1d7pM1 LYS 2183 HG3 0.01 0.08 -0.41 -0.04 1.46 1.10 1d7pM1 LYS 2183 HD2 -0.00 -0.03 -0.02 -0.04 1.69 1.59 1d7pM1 LYS 2183 HD3 -0.00 -0.09 0.01 -0.04 1.68 1.56 1d7pM1 LYS 2183 HE2 0.00 0.07 0.00 -0.04 2.99 3.02 1d7pM1 LYS 2183 HE3 0.00 0.02 -0.02 -0.04 2.99 2.96 1d7pM1 ALA 2184 H 0.01 -0.07 -0.19 -0.55 8.40 7.61 1d7pM1 ALA 2184 HA 0.01 0.06 0.39 -0.75 4.34 4.05 1d7pM1 ALA 2184 HB3 0.01 -0.01 0.10 -0.04 1.41 1.47 1d7pM1 ILE 2185 H 0.02 0.29 -0.19 -0.55 8.25 7.82 1d7pM1 ILE 2185 HA 0.03 0.09 0.65 -0.75 4.18 4.18 1d7pM1 ILE 2185 HB 0.03 0.05 -0.18 -0.04 1.89 1.74 1d7pM1 ILE 2185 HG12 0.13 0.10 -0.15 -0.04 1.49 1.54 1d7pM1 ILE 2185 HG13 0.07 0.01 -0.29 -0.04 1.21 0.96 1d7pM1 ILE 2185 HG23 0.00 0.03 -0.21 -0.04 0.93 0.71 1d7pM1 ILE 2185 HD13 0.17 -0.06 -0.27 -0.04 0.88 0.68 1d7pM1 SER 2186 H 0.00 0.13 0.04 -0.55 8.46 8.08 1d7pM1 SER 2186 HA -0.01 0.20 0.32 -0.75 4.49 4.24 1d7pM1 SER 2186 HB2 -0.01 -0.08 0.14 -0.04 3.95 3.95 1d7pM1 SER 2186 HB3 -0.00 0.14 0.10 -0.04 3.93 4.13 1d7pM1 ASP 2187 H -0.02 0.16 0.18 -0.55 8.40 8.18 1d7pM1 ASP 2187 HA -0.03 0.15 0.43 -0.75 4.63 4.42 1d7pM1 ASP 2187 HB2 -0.02 -0.07 0.16 -0.04 2.71 2.74 1d7pM1 ASP 2187 HB3 -0.04 0.01 0.02 -0.04 2.70 2.66 1d7pM1 ALA 2188 H -0.02 0.04 -0.15 -0.55 8.40 7.74 1d7pM1 ALA 2188 HA -0.01 0.11 0.36 -0.75 4.34 4.04 1d7pM1 ALA 2188 HB3 -0.00 -0.00 0.03 -0.04 1.41 1.39 1d7pM1 GLN 2189 H -0.03 0.27 -0.56 -0.55 8.47 7.61 1d7pM1 GLN 2189 HA -0.04 0.05 0.51 -0.75 4.36 4.13 1d7pM1 GLN 2189 HB2 -0.04 0.20 -0.02 -0.04 2.15 2.25 1d7pM1 GLN 2189 HB3 -0.09 0.02 0.15 -0.04 2.02 2.06 1d7pM1 GLN 2189 HG2 -0.05 0.02 0.02 -0.04 2.40 2.35 1d7pM1 GLN 2189 HG3 -0.02 -0.14 -0.07 -0.04 2.39 2.11 1d7pM1 GLN 2189 HE21 0.03 0.01 0.03 -0.04 6.97 7.00 1d7pM1 GLN 2189 HE22 -0.02 0.39 0.15 -0.04 7.69 8.17 1d7pM1 ILE 2190 H -0.05 0.46 -0.34 -0.55 8.25 7.77 1d7pM1 ILE 2190 HA -0.09 0.29 1.08 -0.75 4.18 4.71 1d7pM1 ILE 2190 HB -0.08 -0.04 0.01 -0.04 1.89 1.74 1d7pM1 ILE 2190 HG12 -0.07 -0.06 -0.15 -0.04 1.49 1.17 1d7pM1 ILE 2190 HG13 -0.05 0.03 -0.22 -0.04 1.21 0.92 1d7pM1 ILE 2190 HG23 -0.14 0.01 -0.17 -0.04 0.93 0.58 1d7pM1 ILE 2190 HD13 -0.04 -0.01 -0.11 -0.04 0.88 0.69 1d7pM1 THR 2191 H -0.06 0.60 0.31 -0.55 8.28 8.58 1d7pM1 THR 2191 HA -0.08 0.15 0.87 -0.75 4.39 4.58 1d7pM1 THR 2191 HB 0.06 -0.04 0.13 -0.04 4.32 4.43 1d7pM1 THR 2191 HG23 0.03 0.01 -0.25 -0.04 1.22 0.96 1d7pM1 ALA 2192 H -0.11 0.29 0.21 -0.55 8.40 8.24 1d7pM1 ALA 2192 HA -0.56 0.12 0.73 -0.75 4.34 3.88 1d7pM1 ALA 2192 HB3 -0.51 0.01 0.09 -0.04 1.41 0.97 1d7pM1 SER 2193 H -1.43 0.53 0.38 -0.55 8.46 7.40 1d7pM1 SER 2193 HA -1.08 0.08 0.50 -0.75 4.49 3.24 1d7pM1 SER 2193 HB2 -0.55 0.04 0.11 -0.04 3.95 3.51 1d7pM1 SER 2193 HB3 -2.30 0.06 0.20 -0.04 3.93 1.85 1d7pM1 SER 2194 H -0.09 0.28 0.06 -0.55 8.46 8.16 1d7pM1 SER 2194 HA -0.03 0.15 0.40 -0.75 4.49 4.25 1d7pM1 SER 2194 HB2 -0.09 0.03 0.18 -0.04 3.95 4.03 1d7pM1 SER 2194 HB3 -0.11 0.20 -0.14 -0.04 3.93 3.85 1d7pM1 TYR 2195 H -0.14 0.31 0.19 -0.55 8.29 8.10 1d7pM1 TYR 2195 HA 0.04 0.30 0.66 -0.75 4.56 4.81 1d7pM1 TYR 2195 HB2 0.24 0.31 0.04 -0.04 3.06 3.61 1d7pM1 TYR 2195 HB3 0.38 0.02 -0.14 -0.04 2.98 3.20 1d7pM1 TYR 2195 HD2 0.09 0.04 -0.41 -0.04 7.15 6.83 1d7pM1 TYR 2195 HE2 0.02 0.00 -0.09 -0.04 6.85 6.74 1d7pM1 PHE 2196 H 0.20 0.77 0.09 -0.55 8.34 8.84 1d7pM1 PHE 2196 HA -0.05 0.02 0.61 -0.75 4.62 4.45 1d7pM1 PHE 2196 HB2 -0.21 0.27 -0.14 -0.04 3.15 3.04 1d7pM1 PHE 2196 HB3 -0.12 -0.02 0.09 -0.04 3.06 2.97 1d7pM1 PHE 2196 HD2 -0.30 0.00 -0.02 -0.04 7.28 6.92 1d7pM1 PHE 2196 HE2 -0.02 -0.01 -0.08 -0.04 7.38 7.22 1d7pM1 PHE 2196 HZ 0.02 -0.04 -0.09 -0.04 7.32 7.18 1d7pM1 THR 2197 H -0.07 0.29 0.27 -0.55 8.28 8.22 1d7pM1 THR 2197 HA -0.15 0.24 0.84 -0.75 4.39 4.56 1d7pM1 THR 2197 HB 0.25 -0.03 -0.20 -0.04 4.32 4.30 1d7pM1 THR 2197 HG23 -0.15 0.02 -0.04 -0.04 1.22 1.00 1d7pM1 ASN 2198 H -0.13 0.79 0.43 -0.55 8.53 9.07 1d7pM1 ASN 2198 HA -0.08 0.13 0.53 -0.75 4.76 4.59 1d7pM1 ASN 2198 HB2 -0.02 -0.07 0.20 -0.04 2.88 2.95 1d7pM1 ASN 2198 HB3 -0.07 0.18 0.01 -0.04 2.79 2.87 1d7pM1 ASN 2198 HD21 -0.08 0.03 -0.12 -0.04 7.03 6.82 1d7pM1 ASN 2198 HD22 -0.24 0.08 -0.17 -0.04 7.74 7.37 1d7pM1 MET 2199 H -0.14 0.17 0.15 -0.55 8.47 8.11 1d7pM1 MET 2199 HA -0.15 0.13 0.38 -0.75 4.52 4.12 1d7pM1 MET 2199 HB2 -0.24 0.04 0.14 -0.04 2.15 2.05 1d7pM1 MET 2199 HB3 -0.21 -0.01 0.15 -0.04 2.03 1.92 1d7pM1 MET 2199 HG2 -1.02 0.06 -0.40 -0.04 2.63 1.23 1d7pM1 MET 2199 HG3 -0.52 0.02 -0.02 -0.04 2.56 2.00 1d7pM1 MET 2199 HE3 -0.16 0.01 0.02 -0.04 2.10 1.93 1d7pM1 PHE 2200 H -0.02 -0.06 -0.51 -0.55 8.34 7.20 1d7pM1 PHE 2200 HA -0.04 0.22 0.84 -0.75 4.62 4.89 1d7pM1 PHE 2200 HB2 -0.01 -0.03 -0.01 -0.04 3.15 3.05 1d7pM1 PHE 2200 HB3 -0.00 0.03 -0.01 -0.04 3.06 3.03 1d7pM1 PHE 2200 HD2 -0.00 0.02 -0.00 -0.04 7.28 7.25 1d7pM1 PHE 2200 HE2 0.00 0.01 -0.02 -0.04 7.38 7.32 1d7pM1 PHE 2200 HZ 0.00 0.00 -0.02 -0.04 7.32 7.26 1d7pM1 ALA 2201 H -0.02 0.22 0.00 -0.55 8.40 8.05 1d7pM1 ALA 2201 HA -0.14 0.10 0.49 -0.75 4.34 4.04 1d7pM1 ALA 2201 HB3 -0.13 0.03 -0.15 -0.04 1.41 1.12 1d7pM1 THR 2202 H -0.34 0.21 0.07 -0.55 8.28 7.68 1d7pM1 THR 2202 HA 0.01 0.17 1.00 -0.75 4.39 4.81 1d7pM1 THR 2202 HB -0.09 -0.00 0.19 -0.04 4.32 4.37 1d7pM1 THR 2202 HG23 0.08 -0.03 -0.06 -0.04 1.22 1.17 1d7pM1 TRP 2203 H 0.36 0.68 0.17 -0.55 7.97 8.63 1d7pM1 TRP 2203 HA 0.03 0.29 0.80 -0.75 4.62 4.98 1d7pM1 TRP 2203 HB2 0.07 -0.03 0.32 -0.04 3.23 3.54 1d7pM1 TRP 2203 HB3 0.01 0.15 0.15 -0.04 3.23 3.49 1d7pM1 TRP 2203 HD1 -0.18 0.15 -0.13 -0.04 7.22 7.02 1d7pM1 TRP 2203 HE1 0.04 -0.04 -0.14 -0.04 10.20 10.01 1d7pM1 TRP 2203 HE3 0.02 0.22 -0.30 -0.04 7.59 7.49 1d7pM1 TRP 2203 HZ2 0.06 -0.02 -0.05 -0.04 7.44 7.39 1d7pM1 TRP 2203 HZ3 0.03 0.03 -0.39 -0.04 7.13 6.76 1d7pM1 TRP 2203 HH2 0.04 0.04 -0.11 -0.04 7.19 7.12 1d7pM1 SER 2204 H 0.00 0.33 -0.29 -0.55 8.46 7.96 1d7pM1 SER 2204 HA -0.35 0.10 0.34 -0.75 4.49 3.83 1d7pM1 SER 2204 HB2 -0.44 -0.00 0.06 -0.04 3.95 3.52 1d7pM1 SER 2204 HB3 -0.44 -0.00 -0.02 -0.04 3.93 3.43 1d7pM1 PRO 2205 HA -0.13 0.07 0.37 -0.51 4.44 4.24 1d7pM1 PRO 2205 HB2 -0.16 0.27 -0.10 -0.04 2.28 2.25 1d7pM1 PRO 2205 HB3 -0.31 0.08 -0.29 -0.04 2.02 1.46 1d7pM1 PRO 2205 HG2 -0.11 -0.00 0.00 -0.04 2.03 1.88 1d7pM1 PRO 2205 HG3 -0.11 0.07 -0.07 -0.04 2.03 1.87 1d7pM1 PRO 2205 HD2 -0.42 0.11 0.15 -0.04 3.68 3.48 1d7pM1 PRO 2205 HD3 -0.58 0.11 0.13 -0.04 3.65 3.27 1d7pM1 SER 2206 H -0.10 0.11 -0.20 -0.55 8.46 7.72 1d7pM1 SER 2206 HA -0.05 0.14 0.38 -0.75 4.49 4.21 1d7pM1 SER 2206 HB2 -0.04 -0.01 0.17 -0.04 3.95 4.03 1d7pM1 SER 2206 HB3 -0.06 0.15 0.17 -0.04 3.93 4.15 1d7pM1 LYS 2207 H 0.04 0.44 -0.84 -0.55 8.42 7.50 1d7pM1 LYS 2207 HA 0.02 0.12 0.60 -0.75 4.32 4.30 1d7pM1 LYS 2207 HB2 0.14 0.30 -0.32 -0.04 1.87 1.95 1d7pM1 LYS 2207 HB3 0.07 -0.13 0.02 -0.04 1.79 1.71 1d7pM1 LYS 2207 HG2 -0.03 -0.18 -0.10 -0.04 1.46 1.10 1d7pM1 LYS 2207 HG3 -0.04 0.11 0.19 -0.04 1.46 1.69 1d7pM1 LYS 2207 HD2 -0.07 -0.01 0.06 -0.04 1.69 1.64 1d7pM1 LYS 2207 HD3 -0.04 0.00 -0.03 -0.04 1.68 1.57 1d7pM1 LYS 2207 HE2 -0.09 -0.07 0.01 -0.04 2.99 2.80 1d7pM1 LYS 2207 HE3 -0.09 -0.08 0.02 -0.04 2.99 2.81 1d7pM1 ALA 2208 H 0.06 0.50 -0.20 -0.55 8.40 8.22 1d7pM1 ALA 2208 HA 0.13 0.25 0.68 -0.75 4.34 4.65 1d7pM1 ALA 2208 HB3 0.06 -0.03 0.15 -0.04 1.41 1.55 1d7pM1 ARG 2209 H 0.05 0.64 -0.37 -0.55 8.46 8.22 1d7pM1 ARG 2209 HA 0.01 0.12 0.88 -0.75 4.34 4.60 1d7pM1 ARG 2209 HB2 0.03 -0.02 0.01 -0.04 1.90 1.87 1d7pM1 ARG 2209 HB3 0.02 0.10 -0.14 -0.04 1.80 1.74 1d7pM1 ARG 2209 HG2 0.01 -0.03 -0.11 -0.04 1.67 1.49 1d7pM1 ARG 2209 HG3 0.01 -0.11 -0.44 -0.04 1.67 1.09 1d7pM1 ARG 2209 HD2 0.01 -0.07 0.02 -0.04 3.22 3.14 1d7pM1 ARG 2209 HD3 0.01 0.10 0.04 -0.04 3.22 3.33 1d7pM1 LEU 2210 H -0.01 0.41 0.14 -0.55 8.37 8.37 1d7pM1 LEU 2210 HA -0.10 0.01 0.19 -0.75 4.35 3.69 1d7pM1 LEU 2210 HB2 -0.04 0.06 -0.14 -0.04 1.64 1.48 1d7pM1 LEU 2210 HB3 -0.00 -0.05 -0.03 -0.04 1.64 1.51 1d7pM1 LEU 2210 HG -0.60 0.05 -0.11 -0.04 1.64 0.95 1d7pM1 LEU 2210 HD13 -0.11 0.01 -0.33 -0.04 0.93 0.45 1d7pM1 LEU 2210 HD23 -0.01 -0.02 -0.13 -0.04 0.89 0.69 1d7pM1 HIS 2211 H -0.17 0.15 0.16 -0.55 8.41 8.01 1d7pM1 HIS 2211 HA 0.07 0.03 0.32 -0.75 4.63 4.31 1d7pM1 HIS 2211 HB2 0.03 0.21 -0.06 -0.04 3.26 3.40 1d7pM1 HIS 2211 HB3 0.03 -0.04 0.16 -0.04 3.20 3.31 1d7pM1 HIS 2211 HD2 0.02 -0.02 -0.18 -0.04 6.97 6.75 1d7pM1 HIS 2211 HE1 0.05 0.04 0.03 -0.04 7.75 7.81 1d7pM1 LEU 2212 H 0.07 0.42 -0.25 -0.55 8.37 8.07 1d7pM1 LEU 2212 HA 0.06 -0.02 0.48 -0.75 4.35 4.11 1d7pM1 LEU 2212 HB2 0.04 0.02 0.07 -0.04 1.64 1.73 1d7pM1 LEU 2212 HB3 0.06 0.08 0.11 -0.04 1.64 1.85 1d7pM1 LEU 2212 HG 0.02 0.08 -0.18 -0.04 1.64 1.52 1d7pM1 LEU 2212 HD13 0.01 -0.03 0.08 -0.04 0.93 0.95 1d7pM1 LEU 2212 HD23 0.01 -0.01 0.02 -0.04 0.89 0.87 1d7pM1 GLN 2213 H 0.03 0.09 0.24 -0.55 8.47 8.29 1d7pM1 GLN 2213 HA 0.06 0.19 0.86 -0.75 4.36 4.71 1d7pM1 GLN 2213 HB2 0.01 -0.04 0.09 -0.04 2.15 2.18 1d7pM1 GLN 2213 HB3 0.02 -0.07 0.10 -0.04 2.02 2.04 1d7pM1 GLN 2213 HG2 0.04 0.11 0.06 -0.04 2.40 2.57 1d7pM1 GLN 2213 HG3 0.02 -0.06 0.04 -0.04 2.39 2.35 1d7pM1 GLN 2213 HE21 0.10 -0.10 -0.10 -0.04 6.97 6.83 1d7pM1 GLN 2213 HE22 0.10 0.62 -0.12 -0.04 7.69 8.25 1d7pM1 GLY 2214 H 0.02 0.22 0.19 -0.55 8.43 8.32 1d7pM1 GLY 2214 HA2 -0.03 0.01 0.31 -0.51 4.01 3.79 1d7pM1 GLY 2214 HA3 -0.06 0.18 0.70 -0.51 4.01 4.31 1d7pM1 ARG 2215 H -0.11 0.15 0.14 -0.55 8.46 8.08 1d7pM1 ARG 2215 HA -0.05 0.13 0.57 -0.75 4.34 4.24 1d7pM1 ARG 2215 HB2 -0.15 0.00 0.11 -0.04 1.90 1.81 1d7pM1 ARG 2215 HB3 -0.08 0.04 0.08 -0.04 1.80 1.80 1d7pM1 ARG 2215 HG2 -0.03 0.02 0.04 -0.04 1.67 1.66 1d7pM1 ARG 2215 HG3 -0.05 -0.07 0.09 -0.04 1.67 1.60 1d7pM1 ARG 2215 HD2 -0.05 0.03 0.05 -0.04 3.22 3.21 1d7pM1 ARG 2215 HD3 -0.02 0.02 0.04 -0.04 3.22 3.22 1d7pM1 SER 2216 H -0.39 0.07 -0.17 -0.55 8.46 7.42 1d7pM1 SER 2216 HA -2.56 0.21 0.61 -0.75 4.49 1.99 1d7pM1 SER 2216 HB2 -2.10 0.06 -0.09 -0.04 3.95 1.79 1d7pM1 SER 2216 HB3 -1.37 0.00 -0.09 -0.04 3.93 2.43 1d7pM1 ASN 2217 H -0.20 0.26 -0.48 -0.55 8.53 7.57 1d7pM1 ASN 2217 HA -0.05 0.11 0.35 -0.75 4.76 4.41 1d7pM1 ASN 2217 HB2 0.06 0.19 -0.19 -0.04 2.88 2.89 1d7pM1 ASN 2217 HB3 -0.01 -0.15 -0.57 -0.04 2.79 2.02 1d7pM1 ASN 2217 HD21 0.19 -0.11 0.08 -0.04 7.03 7.15 1d7pM1 ASN 2217 HD22 0.13 0.48 0.20 -0.04 7.74 8.51 1d7pM1 ALA 2218 H 0.20 0.47 -0.18 -0.55 8.40 8.34 1d7pM1 ALA 2218 HA 0.21 0.24 0.19 -0.75 4.34 4.23 1d7pM1 ALA 2218 HB3 0.33 0.01 -0.28 -0.04 1.41 1.42 1d7pM1 TRP 2219 H 0.33 0.58 0.12 -0.55 7.97 8.45 1d7pM1 TRP 2219 HA 0.14 0.30 0.54 -0.75 4.62 4.85 1d7pM1 TRP 2219 HB2 -0.00 0.02 0.03 -0.04 3.23 3.24 1d7pM1 TRP 2219 HB3 -0.01 -0.01 0.12 -0.04 3.23 3.29 1d7pM1 TRP 2219 HD1 0.02 -0.02 -0.21 -0.04 7.22 6.97 1d7pM1 TRP 2219 HE1 -0.03 0.43 0.12 -0.04 10.20 10.68 1d7pM1 TRP 2219 HE3 -0.07 -0.01 -0.15 -0.04 7.59 7.31 1d7pM1 TRP 2219 HZ2 -0.24 -0.12 0.03 -0.04 7.44 7.07 1d7pM1 TRP 2219 HZ3 -0.10 -0.01 -0.17 -0.04 7.13 6.81 1d7pM1 TRP 2219 HH2 -0.16 -0.03 -0.22 -0.04 7.19 6.73 1d7pM1 ARG 2220 H -0.26 0.57 0.25 -0.55 8.46 8.46 1d7pM1 ARG 2220 HA -0.93 0.30 0.75 -0.75 4.34 3.71 1d7pM1 ARG 2220 HB2 -0.24 -0.09 0.13 -0.04 1.90 1.65 1d7pM1 ARG 2220 HB3 -0.56 0.06 0.01 -0.04 1.80 1.27 1d7pM1 ARG 2220 HG2 -0.59 0.24 0.01 -0.04 1.67 1.29 1d7pM1 ARG 2220 HG3 -0.37 -0.06 -0.54 -0.04 1.67 0.66 1d7pM1 ARG 2220 HD2 -1.84 -0.03 -0.21 -0.04 3.22 1.10 1d7pM1 ARG 2220 HD3 -2.56 -0.06 -0.12 -0.04 3.22 0.44 1d7pM1 PRO 2221 HA -0.25 0.24 0.29 -0.51 4.44 4.21 1d7pM1 PRO 2221 HB2 -0.34 0.03 -0.04 -0.04 2.28 1.89 1d7pM1 PRO 2221 HB3 -0.20 -0.03 0.10 -0.04 2.02 1.84 1d7pM1 PRO 2221 HG2 -0.64 0.03 -0.03 -0.04 2.03 1.35 1d7pM1 PRO 2221 HG3 -0.71 0.02 0.01 -0.04 2.03 1.31 1d7pM1 PRO 2221 HD2 -0.86 0.24 0.15 -0.04 3.68 3.17 1d7pM1 PRO 2221 HD3 -1.76 0.14 -0.03 -0.04 3.65 1.96 1d7pM1 GLN 2222 H -0.11 0.07 -0.14 -0.55 8.47 7.75 1d7pM1 GLN 2222 HA -0.02 0.09 0.21 -0.75 4.36 3.88 1d7pM1 GLN 2222 HB2 -0.04 0.02 0.04 -0.04 2.15 2.13 1d7pM1 GLN 2222 HB3 -0.07 0.05 -0.03 -0.04 2.02 1.93 1d7pM1 GLN 2222 HG2 -0.09 -0.06 0.01 -0.04 2.40 2.21 1d7pM1 GLN 2222 HG3 -0.10 0.03 -0.21 -0.04 2.39 2.07 1d7pM1 GLN 2222 HE21 -0.05 0.01 -0.02 -0.04 6.97 6.86 1d7pM1 GLN 2222 HE22 -0.06 -0.01 -0.09 -0.04 7.69 7.49 1d7pM1 VAL 2223 H -0.22 0.11 -0.27 -0.55 8.24 7.31 1d7pM1 VAL 2223 HA -0.25 0.19 0.65 -0.75 4.13 3.97 1d7pM1 VAL 2223 HB -0.12 0.03 -0.11 -0.04 2.12 1.88 1d7pM1 VAL 2223 HG13 -0.10 -0.00 -0.24 -0.04 0.97 0.59 1d7pM1 VAL 2223 HG23 -0.11 -0.03 -0.16 -0.04 0.95 0.61 1d7pM1 ASN 2224 H -0.25 0.19 0.02 -0.55 8.53 7.94 1d7pM1 ASN 2224 HA -0.70 0.10 0.62 -0.75 4.76 4.03 1d7pM1 ASN 2224 HB2 -0.14 0.02 0.17 -0.04 2.88 2.88 1d7pM1 ASN 2224 HB3 -0.68 0.02 -0.03 -0.04 2.79 2.05 1d7pM1 ASN 2224 HD21 -0.34 0.04 0.03 -0.04 7.03 6.71 1d7pM1 ASN 2224 HD22 -0.18 0.02 0.04 -0.04 7.74 7.58 1d7pM1 ASN 2225 H -0.36 0.39 0.16 -0.55 8.53 8.16 1d7pM1 ASN 2225 HA 0.18 0.20 0.65 -0.75 4.76 5.04 1d7pM1 ASN 2225 HB2 0.03 0.09 -0.05 -0.04 2.88 2.90 1d7pM1 ASN 2225 HB3 -0.06 -0.03 -0.28 -0.04 2.79 2.38 1d7pM1 ASN 2225 HD21 0.07 0.04 -0.07 -0.04 7.03 7.03 1d7pM1 ASN 2225 HD22 0.08 0.10 -0.00 -0.04 7.74 7.88 1d7pM1 PRO 2226 HA 0.26 0.39 0.51 -0.51 4.44 5.08 1d7pM1 PRO 2226 HB2 0.18 0.01 0.14 -0.04 2.28 2.56 1d7pM1 PRO 2226 HB3 0.29 0.11 0.19 -0.04 2.02 2.56 1d7pM1 PRO 2226 HG2 0.13 0.00 -0.01 -0.04 2.03 2.12 1d7pM1 PRO 2226 HG3 0.14 0.04 0.07 -0.04 2.03 2.24 1d7pM1 PRO 2226 HD2 0.18 0.06 0.19 -0.04 3.68 4.07 1d7pM1 PRO 2226 HD3 0.42 0.16 0.12 -0.04 3.65 4.31 1d7pM1 LYS 2227 H 0.09 -0.02 -0.67 -0.55 8.42 7.27 1d7pM1 LYS 2227 HA 0.18 0.21 0.73 -0.75 4.32 4.68 1d7pM1 LYS 2227 HB2 0.07 -0.04 -0.05 -0.04 1.87 1.81 1d7pM1 LYS 2227 HB3 0.11 -0.00 0.10 -0.04 1.79 1.96 1d7pM1 LYS 2227 HG2 0.10 0.05 -0.06 -0.04 1.46 1.50 1d7pM1 LYS 2227 HG3 0.09 -0.05 -0.13 -0.04 1.46 1.33 1d7pM1 LYS 2227 HD2 0.05 -0.02 -0.04 -0.04 1.69 1.64 1d7pM1 LYS 2227 HD3 0.07 0.00 -0.02 -0.04 1.68 1.69 1d7pM1 LYS 2227 HE2 0.06 0.01 -0.04 -0.04 2.99 2.98 1d7pM1 LYS 2227 HE3 0.06 -0.00 -0.04 -0.04 2.99 2.96 1d7pM1 GLU 2228 H 0.08 0.31 -0.16 -0.55 8.60 8.29 1d7pM1 GLU 2228 HA -0.12 0.07 0.73 -0.75 4.29 4.21 1d7pM1 GLU 2228 HB2 0.02 0.10 0.11 -0.04 2.09 2.27 1d7pM1 GLU 2228 HB3 0.10 -0.08 0.14 -0.04 1.99 2.11 1d7pM1 GLU 2228 HG2 -0.08 -0.05 0.01 -0.04 2.34 2.18 1d7pM1 GLU 2228 HG3 -0.19 0.15 0.13 -0.04 2.34 2.39 1d7pM1 TRP 2229 H -0.45 0.07 0.30 -0.55 7.97 7.34 1d7pM1 TRP 2229 HA -0.17 0.32 0.71 -0.75 4.62 4.73 1d7pM1 TRP 2229 HB2 -0.61 -0.01 -0.07 -0.04 3.23 2.49 1d7pM1 TRP 2229 HB3 -0.53 0.14 -0.16 -0.04 3.23 2.65 1d7pM1 TRP 2229 HD1 -0.05 0.18 -0.29 -0.04 7.22 7.02 1d7pM1 TRP 2229 HE1 -0.11 0.04 -0.04 -0.04 10.20 10.05 1d7pM1 TRP 2229 HE3 -0.41 0.06 -0.68 -0.04 7.59 6.52 1d7pM1 TRP 2229 HZ2 -0.11 0.04 -0.08 -0.04 7.44 7.24 1d7pM1 TRP 2229 HZ3 -0.21 0.01 -0.36 -0.04 7.13 6.52 1d7pM1 TRP 2229 HH2 -0.11 0.05 -0.22 -0.04 7.19 6.87 1d7pM1 LEU 2230 H -0.24 0.53 0.37 -0.55 8.37 8.49 1d7pM1 LEU 2230 HA -0.75 0.18 1.00 -0.75 4.35 4.03 1d7pM1 LEU 2230 HB2 -1.60 -0.01 0.02 -0.04 1.64 0.01 1d7pM1 LEU 2230 HB3 -0.44 -0.06 0.18 -0.04 1.64 1.28 1d7pM1 LEU 2230 HG -0.37 0.04 -0.16 -0.04 1.64 1.11 1d7pM1 LEU 2230 HD13 -0.90 0.07 0.06 -0.04 0.93 0.12 1d7pM1 LEU 2230 HD23 -0.17 -0.00 -0.04 -0.04 0.89 0.64 1d7pM1 GLN 2231 H -0.12 0.88 0.39 -0.55 8.47 9.08 1d7pM1 GLN 2231 HA -0.10 0.33 1.20 -0.75 4.36 5.03 1d7pM1 GLN 2231 HB2 -0.12 -0.06 -0.20 -0.04 2.15 1.73 1d7pM1 GLN 2231 HB3 0.19 -0.05 -0.06 -0.04 2.02 2.06 1d7pM1 GLN 2231 HG2 0.12 0.03 -0.40 -0.04 2.40 2.11 1d7pM1 GLN 2231 HG3 0.13 0.01 -0.11 -0.04 2.39 2.38 1d7pM1 GLN 2231 HE21 0.18 0.02 -0.12 -0.04 6.97 7.01 1d7pM1 GLN 2231 HE22 0.30 0.02 -0.19 -0.04 7.69 7.78 1d7pM1 VAL 2232 H -0.10 0.68 0.41 -0.55 8.24 8.67 1d7pM1 VAL 2232 HA -0.16 0.34 0.99 -0.75 4.13 4.54 1d7pM1 VAL 2232 HB -0.32 -0.07 0.11 -0.04 2.12 1.80 1d7pM1 VAL 2232 HG13 -0.32 -0.01 -0.23 -0.04 0.97 0.37 1d7pM1 VAL 2232 HG23 -0.11 -0.00 -0.20 -0.04 0.95 0.60 1d7pM1 ASP 2233 H -0.23 0.65 0.24 -0.55 8.40 8.52 1d7pM1 ASP 2233 HA -0.65 0.18 1.00 -0.75 4.63 4.41 1d7pM1 ASP 2233 HB2 -0.14 0.00 -0.01 -0.04 2.71 2.52 1d7pM1 ASP 2233 HB3 -0.15 0.07 0.22 -0.04 2.70 2.80 1d7pM1 PHE 2234 H -0.55 0.73 0.30 -0.55 8.34 8.26 1d7pM1 PHE 2234 HA -0.08 0.10 0.53 -0.75 4.62 4.42 1d7pM1 PHE 2234 HB2 -0.09 0.19 0.20 -0.04 3.15 3.41 1d7pM1 PHE 2234 HB3 -0.06 -0.02 0.11 -0.04 3.06 3.05 1d7pM1 PHE 2234 HD2 -0.05 0.05 -0.04 -0.04 7.28 7.20 1d7pM1 PHE 2234 HE2 -0.02 -0.06 -0.20 -0.04 7.38 7.06 1d7pM1 PHE 2234 HZ -0.02 -0.04 -0.12 -0.04 7.32 7.10 1d7pM1 GLN 2235 H -0.22 0.06 -0.28 -0.55 8.47 7.49 1d7pM1 GLN 2235 HA -0.10 -0.01 0.24 -0.75 4.36 3.73 1d7pM1 GLN 2235 HB2 0.00 0.29 0.20 -0.04 2.15 2.61 1d7pM1 GLN 2235 HB3 -0.01 -0.06 0.15 -0.04 2.02 2.06 1d7pM1 GLN 2235 HG2 -0.05 -0.04 -0.08 -0.04 2.40 2.19 1d7pM1 GLN 2235 HG3 -0.04 0.09 -0.45 -0.04 2.39 1.94 1d7pM1 GLN 2235 HE21 -0.00 -0.03 -0.02 -0.04 6.97 6.87 1d7pM1 GLN 2235 HE22 -0.01 -0.01 -0.04 -0.04 7.69 7.58 1d7pM1 LYS 2236 H 0.03 0.21 -0.47 -0.55 8.42 7.64 1d7pM1 LYS 2236 HA 0.01 0.03 0.39 -0.75 4.32 3.99 1d7pM1 LYS 2236 HB2 0.01 -0.07 0.08 -0.04 1.87 1.85 1d7pM1 LYS 2236 HB3 0.01 0.18 -0.11 -0.04 1.79 1.83 1d7pM1 LYS 2236 HG2 0.02 0.14 -0.24 -0.04 1.46 1.35 1d7pM1 LYS 2236 HG3 0.01 0.03 -0.41 -0.04 1.46 1.05 1d7pM1 LYS 2236 HD2 -0.00 -0.03 -0.06 -0.04 1.69 1.55 1d7pM1 LYS 2236 HD3 0.00 0.01 -0.08 -0.04 1.68 1.57 1d7pM1 LYS 2236 HE2 -0.01 0.05 -0.06 -0.04 2.99 2.93 1d7pM1 LYS 2236 HE3 -0.03 -0.03 -0.08 -0.04 2.99 2.81 1d7pM1 THR 2237 H 0.02 0.12 0.07 -0.55 8.28 7.94 1d7pM1 THR 2237 HA 0.06 0.05 0.13 -0.75 4.39 3.87 1d7pM1 THR 2237 HB 0.01 -0.05 0.07 -0.04 4.32 4.31 1d7pM1 THR 2237 HG23 0.02 -0.00 -0.24 -0.04 1.22 0.97 1d7pM1 MET 2238 H 0.03 0.64 0.32 -0.55 8.47 8.91 1d7pM1 MET 2238 HA -0.09 0.06 0.91 -0.75 4.52 4.65 1d7pM1 MET 2238 HB2 -0.48 0.02 0.04 -0.04 2.15 1.69 1d7pM1 MET 2238 HB3 -0.34 0.08 0.02 -0.04 2.03 1.75 1d7pM1 MET 2238 HG2 -0.10 0.15 -0.25 -0.04 2.63 2.39 1d7pM1 MET 2238 HG3 -0.64 -0.04 -0.07 -0.04 2.56 1.77 1d7pM1 MET 2238 HE3 -0.18 -0.03 -0.21 -0.04 2.10 1.64 1d7pM1 LYS 2239 H -0.09 0.68 0.12 -0.55 8.42 8.58 1d7pM1 LYS 2239 HA -0.01 0.24 0.95 -0.75 4.32 4.74 1d7pM1 LYS 2239 HB2 -0.02 -0.03 -0.07 -0.04 1.87 1.72 1d7pM1 LYS 2239 HB3 -0.04 -0.05 0.06 -0.04 1.79 1.72 1d7pM1 LYS 2239 HG2 -0.00 -0.01 -0.22 -0.04 1.46 1.19 1d7pM1 LYS 2239 HG3 0.01 0.02 -0.11 -0.04 1.46 1.34 1d7pM1 LYS 2239 HD2 0.00 -0.01 -0.04 -0.04 1.69 1.61 1d7pM1 LYS 2239 HD3 -0.01 -0.03 -0.03 -0.04 1.68 1.57 1d7pM1 LYS 2239 HE2 0.02 0.02 -0.04 -0.04 2.99 2.95 1d7pM1 LYS 2239 HE3 0.02 0.01 -0.06 -0.04 2.99 2.92 1d7pM1 VAL 2240 H -0.00 0.83 0.34 -0.55 8.24 8.86 1d7pM1 VAL 2240 HA -0.08 0.17 0.89 -0.75 4.13 4.36 1d7pM1 VAL 2240 HB 0.04 -0.05 0.25 -0.04 2.12 2.31 1d7pM1 VAL 2240 HG13 0.01 -0.00 -0.03 -0.04 0.97 0.90 1d7pM1 VAL 2240 HG23 -0.01 0.01 -0.10 -0.04 0.95 0.80 1d7pM1 THR 2241 H -0.03 0.62 0.47 -0.55 8.28 8.79 1d7pM1 THR 2241 HA 0.02 0.20 1.04 -0.75 4.39 4.89 1d7pM1 THR 2241 HB 0.01 -0.05 0.20 -0.04 4.32 4.45 1d7pM1 THR 2241 HG23 0.01 0.02 -0.04 -0.04 1.22 1.17 1d7pM1 GLY 2242 H -0.03 0.30 0.25 -0.55 8.43 8.40 1d7pM1 GLY 2242 HA2 -0.06 0.15 0.45 -0.51 4.01 4.03 1d7pM1 GLY 2242 HA3 -0.02 0.06 0.51 -0.51 4.01 4.06 1d7pM1 VAL 2243 H -0.05 0.70 0.36 -0.55 8.24 8.70 1d7pM1 VAL 2243 HA -0.04 0.11 0.95 -0.75 4.13 4.40 1d7pM1 VAL 2243 HB -0.11 0.07 0.11 -0.04 2.12 2.15 1d7pM1 VAL 2243 HG13 -0.09 -0.02 -0.13 -0.04 0.97 0.69 1d7pM1 VAL 2243 HG23 -0.10 0.01 -0.06 -0.04 0.95 0.76 1d7pM1 THR 2244 H -0.04 0.62 0.36 -0.55 8.28 8.67 1d7pM1 THR 2244 HA 0.01 0.38 1.04 -0.75 4.39 5.06 1d7pM1 THR 2244 HB -0.02 -0.13 0.08 -0.04 4.32 4.21 1d7pM1 THR 2244 HG23 -0.00 0.02 -0.23 -0.04 1.22 0.96 1d7pM1 THR 2245 H 0.01 0.60 0.36 -0.55 8.28 8.69 1d7pM1 THR 2245 HA -0.07 0.30 1.23 -0.75 4.39 5.10 1d7pM1 THR 2245 HB -0.07 0.02 0.13 -0.04 4.32 4.36 1d7pM1 THR 2245 HG23 -0.41 -0.01 -0.18 -0.04 1.22 0.57 1d7pM1 GLN 2246 H -0.02 0.50 0.45 -0.55 8.47 8.86 1d7pM1 GLN 2246 HA -0.02 0.08 0.59 -0.75 4.36 4.25 1d7pM1 GLN 2246 HB2 -0.07 -0.05 -0.26 -0.04 2.15 1.73 1d7pM1 GLN 2246 HB3 -0.05 -0.02 -0.03 -0.04 2.02 1.88 1d7pM1 GLN 2246 HG2 0.01 0.44 -0.01 -0.04 2.40 2.80 1d7pM1 GLN 2246 HG3 0.00 -0.05 -0.18 -0.04 2.39 2.12 1d7pM1 GLN 2246 HE21 0.02 -0.12 0.08 -0.04 6.97 6.92 1d7pM1 GLN 2246 HE22 0.13 0.43 0.16 -0.04 7.69 8.37 1d7pM1 GLY 2247 H -0.04 0.14 0.02 -0.55 8.43 8.00 1d7pM1 GLY 2247 HA2 0.05 0.18 0.94 -0.51 4.01 4.67 1d7pM1 GLY 2247 HA3 0.06 0.01 0.61 -0.51 4.01 4.18 1d7pM1 VAL 2248 H -0.02 0.64 0.44 -0.55 8.24 8.75 1d7pM1 VAL 2248 HA -0.09 0.16 0.58 -0.75 4.13 4.03 1d7pM1 VAL 2248 HB 0.20 -0.03 0.01 -0.04 2.12 2.26 1d7pM1 VAL 2248 HG13 0.17 0.01 -0.36 -0.04 0.97 0.74 1d7pM1 VAL 2248 HG23 0.11 -0.03 -0.32 -0.04 0.95 0.68 1d7pM1 LYS 2249 H 0.08 0.29 0.13 -0.55 8.42 8.37 1d7pM1 LYS 2249 HA -0.00 0.24 0.90 -0.75 4.32 4.71 1d7pM1 LYS 2249 HB2 -0.28 -0.11 -0.15 -0.04 1.87 1.29 1d7pM1 LYS 2249 HB3 0.33 -0.00 -0.01 -0.04 1.79 2.07 1d7pM1 LYS 2249 HG2 0.14 0.10 -0.49 -0.04 1.46 1.16 1d7pM1 LYS 2249 HG3 0.07 -0.01 -0.61 -0.04 1.46 0.88 1d7pM1 LYS 2249 HD2 0.16 -0.11 -0.14 -0.04 1.69 1.56 1d7pM1 LYS 2249 HD3 0.28 -0.00 -0.13 -0.04 1.68 1.79 1d7pM1 LYS 2249 HE2 0.11 0.17 -0.13 -0.04 2.99 3.10 1d7pM1 LYS 2249 HE3 0.10 -0.01 -0.39 -0.04 2.99 2.65 1d7pM1 SER 2250 H 0.07 0.76 0.10 -0.55 8.46 8.85 1d7pM1 SER 2250 HA 0.17 0.16 0.88 -0.75 4.49 4.94 1d7pM1 SER 2250 HB2 0.23 0.04 -0.12 -0.04 3.95 4.07 1d7pM1 SER 2250 HB3 0.08 -0.02 0.09 -0.04 3.93 4.04 1d7pM1 LEU 2251 H 0.10 0.19 0.06 -0.55 8.37 8.18 1d7pM1 LEU 2251 HA 0.06 0.05 0.33 -0.75 4.35 4.03 1d7pM1 LEU 2251 HB2 0.03 0.17 0.16 -0.04 1.64 1.96 1d7pM1 LEU 2251 HB3 0.02 -0.01 0.20 -0.04 1.64 1.81 1d7pM1 LEU 2251 HG 0.06 -0.02 -0.19 -0.04 1.64 1.45 1d7pM1 LEU 2251 HD13 0.01 0.01 -0.02 -0.04 0.93 0.89 1d7pM1 LEU 2251 HD23 0.03 0.01 0.04 -0.04 0.89 0.93 1d7pM1 LEU 2252 H 0.02 0.14 0.23 -0.55 8.37 8.21 1d7pM1 LEU 2252 HA 0.05 0.19 0.72 -0.75 4.35 4.56 1d7pM1 LEU 2252 HB2 -0.01 0.02 0.05 -0.04 1.64 1.66 1d7pM1 LEU 2252 HB3 0.02 0.00 0.16 -0.04 1.64 1.78 1d7pM1 LEU 2252 HG 0.01 -0.07 0.01 -0.04 1.64 1.55 1d7pM1 LEU 2252 HD13 0.00 0.00 0.01 -0.04 0.93 0.90 1d7pM1 LEU 2252 HD23 0.03 0.02 -0.09 -0.04 0.89 0.81 1d7pM1 THR 2253 H 0.02 0.59 -0.16 -0.55 8.28 8.18 1d7pM1 THR 2253 HA -0.02 0.14 0.90 -0.75 4.39 4.65 1d7pM1 THR 2253 HB -0.03 0.06 0.15 -0.04 4.32 4.46 1d7pM1 THR 2253 HG23 -0.20 0.04 -0.15 -0.04 1.22 0.87 1d7pM1 SER 2254 H 0.18 0.15 0.16 -0.55 8.46 8.41 1d7pM1 SER 2254 HA 0.05 0.09 0.63 -0.75 4.49 4.51 1d7pM1 SER 2254 HB2 0.25 -0.04 -0.04 -0.04 3.95 4.08 1d7pM1 SER 2254 HB3 0.14 -0.01 0.07 -0.04 3.93 4.09 1d7pM1 MET 2255 H 0.05 0.61 0.32 -0.55 8.47 8.90 1d7pM1 MET 2255 HA -0.07 0.27 0.97 -0.75 4.52 4.93 1d7pM1 MET 2255 HB2 -0.09 -0.03 0.02 -0.04 2.15 2.01 1d7pM1 MET 2255 HB3 -0.16 0.03 -0.13 -0.04 2.03 1.73 1d7pM1 MET 2255 HG2 -0.06 0.04 -0.22 -0.04 2.63 2.34 1d7pM1 MET 2255 HG3 -0.04 0.05 -0.55 -0.04 2.56 1.99 1d7pM1 MET 2255 HE3 -0.18 -0.01 -0.24 -0.04 2.10 1.63 1d7pM1 TYR 2256 H -0.26 0.39 0.33 -0.55 8.29 8.19 1d7pM1 TYR 2256 HA -0.02 0.27 0.72 -0.75 4.56 4.77 1d7pM1 TYR 2256 HB2 0.00 0.02 0.04 -0.04 3.06 3.08 1d7pM1 TYR 2256 HB3 -0.05 0.08 -0.07 -0.04 2.98 2.89 1d7pM1 TYR 2256 HD2 -0.02 0.03 -0.60 -0.04 7.15 6.52 1d7pM1 TYR 2256 HE2 -0.04 0.06 -0.26 -0.04 6.85 6.57 1d7pM1 VAL 2257 H 0.21 0.27 0.21 -0.55 8.24 8.38 1d7pM1 VAL 2257 HA 0.27 0.10 0.91 -0.75 4.13 4.65 1d7pM1 VAL 2257 HB 0.17 -0.01 0.13 -0.04 2.12 2.37 1d7pM1 VAL 2257 HG13 0.33 -0.01 -0.10 -0.04 0.97 1.14 1d7pM1 VAL 2257 HG23 0.10 0.04 -0.03 -0.04 0.95 1.02 1d7pM1 LYS 2258 H 0.22 0.42 0.28 -0.55 8.42 8.78 1d7pM1 LYS 2258 HA 0.24 0.32 0.71 -0.75 4.32 4.84 1d7pM1 LYS 2258 HB2 0.06 -0.09 -0.14 -0.04 1.87 1.66 1d7pM1 LYS 2258 HB3 0.09 0.01 -0.07 -0.04 1.79 1.77 1d7pM1 LYS 2258 HG2 0.28 0.19 -0.09 -0.04 1.46 1.80 1d7pM1 LYS 2258 HG3 0.02 -0.11 -0.21 -0.04 1.46 1.11 1d7pM1 LYS 2258 HD2 0.03 0.02 -0.08 -0.04 1.69 1.62 1d7pM1 LYS 2258 HD3 -0.03 -0.02 -0.14 -0.04 1.68 1.44 1d7pM1 LYS 2258 HE2 -0.17 0.03 -0.23 -0.04 2.99 2.57 1d7pM1 LYS 2258 HE3 -0.07 -0.02 -0.14 -0.04 2.99 2.71 1d7pM1 GLU 2259 H 0.22 0.28 0.27 -0.55 8.60 8.82 1d7pM1 GLU 2259 HA 0.09 0.45 0.96 -0.75 4.29 5.04 1d7pM1 GLU 2259 HB2 0.08 -0.16 0.01 -0.04 2.09 1.98 1d7pM1 GLU 2259 HB3 0.04 0.08 -0.01 -0.04 1.99 2.06 1d7pM1 GLU 2259 HG2 0.02 0.14 -0.08 -0.04 2.34 2.37 1d7pM1 GLU 2259 HG3 0.04 -0.14 -0.42 -0.04 2.34 1.77 1d7pM1 PHE 2260 H -0.15 0.58 0.28 -0.55 8.34 8.49 1d7pM1 PHE 2260 HA 0.20 0.18 0.77 -0.75 4.62 5.02 1d7pM1 PHE 2260 HB2 0.17 0.01 -0.12 -0.04 3.15 3.17 1d7pM1 PHE 2260 HB3 0.17 -0.03 -0.30 -0.04 3.06 2.86 1d7pM1 PHE 2260 HD2 0.09 0.06 -0.39 -0.04 7.28 7.00 1d7pM1 PHE 2260 HE2 -0.27 0.01 -0.22 -0.04 7.38 6.86 1d7pM1 PHE 2260 HZ -0.19 0.03 -0.17 -0.04 7.32 6.96 1d7pM1 LEU 2261 H 0.44 0.50 0.35 -0.55 8.37 9.12 1d7pM1 LEU 2261 HA 0.33 0.31 1.04 -0.75 4.35 5.28 1d7pM1 LEU 2261 HB2 0.14 -0.03 0.02 -0.04 1.64 1.74 1d7pM1 LEU 2261 HB3 0.10 -0.01 0.17 -0.04 1.64 1.85 1d7pM1 LEU 2261 HG 0.17 0.05 -0.05 -0.04 1.64 1.77 1d7pM1 LEU 2261 HD13 -0.00 -0.01 -0.04 -0.04 0.93 0.84 1d7pM1 LEU 2261 HD23 0.07 0.01 -0.16 -0.04 0.89 0.77 1d7pM1 ILE 2262 H 0.35 0.25 0.32 -0.55 8.25 8.61 1d7pM1 ILE 2262 HA 0.28 0.37 1.11 -0.75 4.18 5.20 1d7pM1 ILE 2262 HB 0.26 -0.05 0.14 -0.04 1.89 2.19 1d7pM1 ILE 2262 HG12 0.04 0.07 0.01 -0.04 1.49 1.56 1d7pM1 ILE 2262 HG13 0.08 -0.07 -0.40 -0.04 1.21 0.77 1d7pM1 ILE 2262 HG23 0.09 0.00 -0.10 -0.04 0.93 0.88 1d7pM1 ILE 2262 HD13 -0.57 -0.00 -0.10 -0.04 0.88 0.16 1d7pM1 SER 2263 H 0.25 0.58 0.36 -0.55 8.46 9.10 1d7pM1 SER 2263 HA 0.18 0.32 0.85 -0.75 4.49 5.09 1d7pM1 SER 2263 HB2 0.27 -0.07 -0.19 -0.04 3.95 3.93 1d7pM1 SER 2263 HB3 0.05 -0.01 -0.24 -0.04 3.93 3.70 1d7pM1 SER 2264 H 0.27 0.46 0.34 -0.55 8.46 8.98 1d7pM1 SER 2264 HA 0.37 0.23 0.87 -0.75 4.49 5.21 1d7pM1 SER 2264 HB2 0.13 -0.01 0.13 -0.04 3.95 4.17 1d7pM1 SER 2264 HB3 0.20 0.03 -0.05 -0.04 3.93 4.06 1d7pM1 SER 2265 H -0.10 0.53 0.32 -0.55 8.46 8.66 1d7pM1 SER 2265 HA -0.35 0.19 0.76 -0.75 4.49 4.34 1d7pM1 SER 2265 HB2 -1.98 0.18 -0.29 -0.04 3.95 1.83 1d7pM1 SER 2265 HB3 -2.00 0.02 -0.16 -0.04 3.93 1.74 1d7pM1 GLN 2266 H -0.22 0.16 0.27 -0.55 8.47 8.13 1d7pM1 GLN 2266 HA 0.03 0.06 0.90 -0.75 4.36 4.60 1d7pM1 GLN 2266 HB2 -0.07 -0.02 0.19 -0.04 2.15 2.21 1d7pM1 GLN 2266 HB3 -0.01 0.06 0.04 -0.04 2.02 2.07 1d7pM1 GLN 2266 HG2 -0.02 0.00 0.01 -0.04 2.40 2.35 1d7pM1 GLN 2266 HG3 -0.01 0.06 0.05 -0.04 2.39 2.45 1d7pM1 GLN 2266 HE21 0.03 -0.04 0.00 -0.04 6.97 6.92 1d7pM1 GLN 2266 HE22 0.01 0.03 0.03 -0.04 7.69 7.73 1d7pM1 ASP 2267 H -0.22 -0.07 0.20 -0.55 8.40 7.76 1d7pM1 ASP 2267 HA 0.00 0.29 0.81 -0.75 4.63 4.98 1d7pM1 ASP 2267 HB2 0.03 0.09 0.04 -0.04 2.71 2.83 1d7pM1 ASP 2267 HB3 -0.05 0.08 0.05 -0.04 2.70 2.75 1d7pM1 GLY 2268 H -0.68 -0.09 -0.07 -0.55 8.43 7.05 1d7pM1 GLY 2268 HA2 -1.22 0.03 0.10 -0.51 4.01 2.41 1d7pM1 GLY 2268 HA3 -0.97 0.28 0.63 -0.51 4.01 3.43 1d7pM1 HIS 2269 H -0.28 -0.21 -0.07 -0.55 8.41 7.30 1d7pM1 HIS 2269 HA 0.04 0.30 0.86 -0.75 4.63 5.08 1d7pM1 HIS 2269 HB2 -0.12 -0.09 0.00 -0.04 3.26 3.01 1d7pM1 HIS 2269 HB3 -0.03 0.05 -0.03 -0.04 3.20 3.14 1d7pM1 HIS 2269 HD2 0.00 0.01 -0.06 -0.04 6.97 6.87 1d7pM1 HIS 2269 HE1 -0.06 0.07 -0.08 -0.04 7.75 7.63 1d7pM1 GLN 2270 H -0.25 -0.12 0.13 -0.55 8.47 7.68 1d7pM1 GLN 2270 HA -0.01 0.21 0.77 -0.75 4.36 4.57 1d7pM1 GLN 2270 HB2 -0.15 -0.16 0.22 -0.04 2.15 2.02 1d7pM1 GLN 2270 HB3 -0.07 0.10 0.02 -0.04 2.02 2.03 1d7pM1 GLN 2270 HG2 -0.04 -0.06 -0.05 -0.04 2.40 2.21 1d7pM1 GLN 2270 HG3 -0.05 0.01 0.03 -0.04 2.39 2.34 1d7pM1 GLN 2270 HE21 0.03 0.04 -0.01 -0.04 6.97 6.98 1d7pM1 GLN 2270 HE22 0.03 -0.03 -0.12 -0.04 7.69 7.53 1d7pM1 TRP 2271 H 0.19 0.24 0.13 -0.55 7.97 7.98 1d7pM1 TRP 2271 HA -0.04 0.33 1.01 -0.75 4.62 5.17 1d7pM1 TRP 2271 HB2 -0.07 0.02 -0.05 -0.04 3.23 3.08 1d7pM1 TRP 2271 HB3 -0.06 -0.02 -0.16 -0.04 3.23 2.95 1d7pM1 TRP 2271 HD1 -0.13 0.16 -0.26 -0.04 7.22 6.95 1d7pM1 TRP 2271 HE1 -0.31 0.23 -0.38 -0.04 10.20 9.70 1d7pM1 TRP 2271 HE3 -0.06 -0.02 -0.54 -0.04 7.59 6.93 1d7pM1 TRP 2271 HZ2 -0.44 0.14 -0.19 -0.04 7.44 6.91 1d7pM1 TRP 2271 HZ3 -0.06 0.03 -0.51 -0.04 7.13 6.55 1d7pM1 TRP 2271 HH2 -0.12 0.02 -0.27 -0.04 7.19 6.78 1d7pM1 THR 2272 H 0.19 0.48 0.33 -0.55 8.28 8.73 1d7pM1 THR 2272 HA 0.11 0.15 0.99 -0.75 4.39 4.89 1d7pM1 THR 2272 HB 0.09 -0.02 0.11 -0.04 4.32 4.45 1d7pM1 THR 2272 HG23 0.16 0.07 -0.01 -0.04 1.22 1.40 1d7pM1 LEU 2273 H -0.05 0.11 0.15 -0.55 8.37 8.03 1d7pM1 LEU 2273 HA -0.05 0.21 0.74 -0.75 4.35 4.50 1d7pM1 LEU 2273 HB2 -0.41 -0.06 0.09 -0.04 1.64 1.21 1d7pM1 LEU 2273 HB3 -0.32 0.09 0.07 -0.04 1.64 1.44 1d7pM1 LEU 2273 HG -0.09 -0.06 -0.01 -0.04 1.64 1.44 1d7pM1 LEU 2273 HD13 -0.04 0.00 -0.00 -0.04 0.93 0.85 1d7pM1 LEU 2273 HD23 -0.19 0.02 -0.08 -0.04 0.89 0.60 1d7pM1 PHE 2274 H 0.09 0.54 0.41 -0.55 8.34 8.83 1d7pM1 PHE 2274 HA -0.11 0.07 0.61 -0.75 4.62 4.44 1d7pM1 PHE 2274 HB2 0.12 -0.01 0.08 -0.04 3.15 3.31 1d7pM1 PHE 2274 HB3 0.19 -0.06 0.23 -0.04 3.06 3.38 1d7pM1 PHE 2274 HD2 0.08 -0.09 -0.14 -0.04 7.28 7.09 1d7pM1 PHE 2274 HE2 0.10 0.08 -0.11 -0.04 7.38 7.41 1d7pM1 PHE 2274 HZ 0.12 -0.02 -0.36 -0.04 7.32 7.01 1d7pM1 PHE 2275 H -0.46 0.17 0.20 -0.55 8.34 7.69 1d7pM1 PHE 2275 HA -0.08 0.12 0.94 -0.75 4.62 4.85 1d7pM1 PHE 2275 HB2 -0.18 -0.02 -0.03 -0.04 3.15 2.89 1d7pM1 PHE 2275 HB3 -0.10 -0.04 -0.15 -0.04 3.06 2.73 1d7pM1 PHE 2275 HD2 -0.06 -0.04 -0.25 -0.04 7.28 6.89 1d7pM1 PHE 2275 HE2 -0.00 -0.03 -0.04 -0.04 7.38 7.26 1d7pM1 PHE 2275 HZ 0.01 -0.05 -0.01 -0.04 7.32 7.23 1d7pM1 GLN 2276 H 0.08 0.84 0.18 -0.55 8.47 9.02 1d7pM1 GLN 2276 HA -0.03 0.08 0.69 -0.75 4.36 4.34 1d7pM1 GLN 2276 HB2 0.08 0.11 -0.17 -0.04 2.15 2.12 1d7pM1 GLN 2276 HB3 -0.02 -0.02 0.01 -0.04 2.02 1.95 1d7pM1 GLN 2276 HG2 0.00 -0.02 -0.22 -0.04 2.40 2.12 1d7pM1 GLN 2276 HG3 0.05 0.05 0.09 -0.04 2.39 2.54 1d7pM1 GLN 2276 HE21 0.02 -0.00 0.00 -0.04 6.97 6.94 1d7pM1 GLN 2276 HE22 0.03 -0.02 -0.00 -0.04 7.69 7.65 1d7pM1 ASN 2277 H -0.01 0.18 0.14 -0.55 8.53 8.29 1d7pM1 ASN 2277 HA -0.01 0.02 0.36 -0.75 4.76 4.38 1d7pM1 ASN 2277 HB2 -0.01 0.19 -0.05 -0.04 2.88 2.97 1d7pM1 ASN 2277 HB3 -0.01 0.00 0.23 -0.04 2.79 2.97 1d7pM1 ASN 2277 HD21 0.01 0.02 0.03 -0.04 7.03 7.05 1d7pM1 ASN 2277 HD22 -0.00 -0.01 0.08 -0.04 7.74 7.76 1d7pM1 GLY 2278 H -0.02 0.04 -0.14 -0.55 8.43 7.76 1d7pM1 GLY 2278 HA2 -0.06 -0.02 0.26 -0.51 4.01 3.68 1d7pM1 GLY 2278 HA3 -0.03 0.13 0.41 -0.51 4.01 4.00 1d7pM1 LYS 2279 H 0.03 0.32 -0.43 -0.55 8.42 7.79 1d7pM1 LYS 2279 HA 0.05 0.10 0.61 -0.75 4.32 4.32 1d7pM1 LYS 2279 HB2 0.04 -0.09 0.14 -0.04 1.87 1.91 1d7pM1 LYS 2279 HB3 0.01 0.07 -0.19 -0.04 1.79 1.64 1d7pM1 LYS 2279 HG2 0.01 0.09 -0.12 -0.04 1.46 1.39 1d7pM1 LYS 2279 HG3 0.02 0.19 -0.23 -0.04 1.46 1.39 1d7pM1 LYS 2279 HD2 0.01 -0.05 -0.01 -0.04 1.69 1.59 1d7pM1 LYS 2279 HD3 -0.00 -0.02 -0.04 -0.04 1.68 1.58 1d7pM1 LYS 2279 HE2 -0.01 0.04 0.00 -0.04 2.99 2.98 1d7pM1 LYS 2279 HE3 -0.01 -0.05 -0.00 -0.04 2.99 2.88 1d7pM1 VAL 2280 H 0.17 0.11 0.12 -0.55 8.24 8.09 1d7pM1 VAL 2280 HA 0.13 0.08 0.42 -0.75 4.13 4.00 1d7pM1 VAL 2280 HB 0.07 -0.02 0.11 -0.04 2.12 2.23 1d7pM1 VAL 2280 HG13 -0.01 0.02 -0.15 -0.04 0.97 0.78 1d7pM1 VAL 2280 HG23 0.16 -0.01 0.04 -0.04 0.95 1.10 1d7pM1 LYS 2281 H -0.03 0.58 0.40 -0.55 8.42 8.81 1d7pM1 LYS 2281 HA -0.13 0.11 0.68 -0.75 4.32 4.23 1d7pM1 LYS 2281 HB2 -0.03 -0.02 -0.13 -0.04 1.87 1.64 1d7pM1 LYS 2281 HB3 -0.00 0.05 0.09 -0.04 1.79 1.88 1d7pM1 LYS 2281 HG2 -0.85 0.01 -0.12 -0.04 1.46 0.47 1d7pM1 LYS 2281 HG3 -1.69 -0.07 -0.36 -0.04 1.46 -0.70 1d7pM1 LYS 2281 HD2 -0.34 0.00 -0.10 -0.04 1.69 1.22 1d7pM1 LYS 2281 HD3 -0.19 -0.01 -0.06 -0.04 1.68 1.38 1d7pM1 LYS 2281 HE2 -0.30 0.02 -0.06 -0.04 2.99 2.61 1d7pM1 LYS 2281 HE3 -0.63 -0.06 -0.17 -0.04 2.99 2.10 1d7pM1 VAL 2282 H -0.16 0.22 0.12 -0.55 8.24 7.88 1d7pM1 VAL 2282 HA -0.06 0.19 0.80 -0.75 4.13 4.30 1d7pM1 VAL 2282 HB -0.07 -0.02 0.17 -0.04 2.12 2.17 1d7pM1 VAL 2282 HG13 -0.02 -0.00 -0.14 -0.04 0.97 0.77 1d7pM1 VAL 2282 HG23 -0.01 0.02 -0.11 -0.04 0.95 0.81 1d7pM1 PHE 2283 H -0.11 0.57 0.22 -0.55 8.34 8.47 1d7pM1 PHE 2283 HA -0.21 0.03 0.45 -0.75 4.62 4.13 1d7pM1 PHE 2283 HB2 -1.82 -0.03 0.04 -0.04 3.15 1.29 1d7pM1 PHE 2283 HB3 -0.71 0.06 -0.12 -0.04 3.06 2.24 1d7pM1 PHE 2283 HD2 -0.19 0.09 -0.00 -0.04 7.28 7.14 1d7pM1 PHE 2283 HE2 -0.06 0.02 -0.02 -0.04 7.38 7.28 1d7pM1 PHE 2283 HZ -0.67 -0.01 -0.07 -0.04 7.32 6.53 1d7pM1 GLN 2284 H -0.02 0.13 0.20 -0.55 8.47 8.24 1d7pM1 GLN 2284 HA 0.01 0.12 0.79 -0.75 4.36 4.52 1d7pM1 GLN 2284 HB2 0.02 -0.04 0.23 -0.04 2.15 2.32 1d7pM1 GLN 2284 HB3 0.03 0.05 0.06 -0.04 2.02 2.12 1d7pM1 GLN 2284 HG2 -0.03 0.02 0.09 -0.04 2.40 2.44 1d7pM1 GLN 2284 HG3 -0.00 -0.04 0.05 -0.04 2.39 2.36 1d7pM1 GLN 2284 HE21 -0.02 -0.08 -0.09 -0.04 6.97 6.74 1d7pM1 GLN 2284 HE22 -0.05 0.20 -0.09 -0.04 7.69 7.71 1d7pM1 GLY 2285 H 0.13 0.93 0.27 -0.55 8.43 9.22 1d7pM1 GLY 2285 HA2 0.31 0.04 0.36 -0.51 4.01 4.20 1d7pM1 GLY 2285 HA3 0.34 -0.05 0.20 -0.51 4.01 4.00 1d7pM1 ASN 2286 H 0.19 0.42 0.25 -0.55 8.53 8.85 1d7pM1 ASN 2286 HA -0.01 0.11 0.52 -0.75 4.76 4.62 1d7pM1 ASN 2286 HB2 0.11 0.06 0.03 -0.04 2.88 3.03 1d7pM1 ASN 2286 HB3 -0.26 -0.04 0.08 -0.04 2.79 2.53 1d7pM1 ASN 2286 HD21 0.00 0.38 -0.01 -0.04 7.03 7.36 1d7pM1 ASN 2286 HD22 -0.04 0.10 0.04 -0.04 7.74 7.80 1d7pM1 GLN 2287 H -0.21 0.12 0.16 -0.55 8.47 7.99 1d7pM1 GLN 2287 HA -0.01 0.18 0.71 -0.75 4.36 4.48 1d7pM1 GLN 2287 HB2 -0.01 -0.03 0.15 -0.04 2.15 2.22 1d7pM1 GLN 2287 HB3 0.00 0.10 -0.10 -0.04 2.02 1.98 1d7pM1 GLN 2287 HG2 -0.05 0.03 -0.00 -0.04 2.40 2.34 1d7pM1 GLN 2287 HG3 -0.07 -0.05 -0.16 -0.04 2.39 2.07 1d7pM1 GLN 2287 HE21 0.00 -0.00 -0.01 -0.04 6.97 6.92 1d7pM1 GLN 2287 HE22 -0.01 -0.04 -0.02 -0.04 7.69 7.58 1d7pM1 ASP 2288 H -0.76 0.24 0.12 -0.55 8.40 7.46 1d7pM1 ASP 2288 HA -0.40 0.13 0.36 -0.75 4.63 3.96 1d7pM1 ASP 2288 HB2 -0.08 -0.07 0.18 -0.04 2.71 2.70 1d7pM1 ASP 2288 HB3 -0.12 0.24 -0.08 -0.04 2.70 2.70 1d7pM1 SER 2289 H -0.18 0.15 0.09 -0.55 8.46 7.98 1d7pM1 SER 2289 HA -0.18 0.15 0.30 -0.75 4.49 4.00 1d7pM1 SER 2289 HB2 -0.84 -0.01 -0.03 -0.04 3.95 3.02 1d7pM1 SER 2289 HB3 -0.92 0.03 -0.39 -0.04 3.93 2.61 1d7pM1 PHE 2290 H -0.04 -0.06 -0.08 -0.55 8.34 7.60 1d7pM1 PHE 2290 HA 0.02 0.40 1.03 -0.75 4.62 5.32 1d7pM1 PHE 2290 HB2 0.03 -0.03 -0.04 -0.04 3.15 3.07 1d7pM1 PHE 2290 HB3 0.05 0.05 0.03 -0.04 3.06 3.16 1d7pM1 PHE 2290 HD2 0.05 0.04 -0.06 -0.04 7.28 7.27 1d7pM1 PHE 2290 HE2 0.06 0.03 -0.04 -0.04 7.38 7.39 1d7pM1 PHE 2290 HZ 0.06 0.04 -0.05 -0.04 7.32 7.33 1d7pM1 THR 2291 H 0.03 -0.09 -0.06 -0.55 8.28 7.61 1d7pM1 THR 2291 HA 0.09 0.18 0.56 -0.75 4.39 4.47 1d7pM1 THR 2291 HB -0.00 -0.08 0.09 -0.04 4.32 4.28 1d7pM1 THR 2291 HG23 0.03 0.07 -0.06 -0.04 1.22 1.23 1d7pM1 PRO 2292 HA -0.01 0.30 0.55 -0.51 4.44 4.77 1d7pM1 PRO 2292 HB2 0.03 -0.04 -0.04 -0.04 2.28 2.19 1d7pM1 PRO 2292 HB3 -0.03 -0.02 -0.05 -0.04 2.02 1.88 1d7pM1 PRO 2292 HG2 0.09 -0.02 0.04 -0.04 2.03 2.10 1d7pM1 PRO 2292 HG3 -0.12 0.06 0.03 -0.04 2.03 1.95 1d7pM1 PRO 2292 HD2 0.09 0.02 0.22 -0.04 3.68 3.97 1d7pM1 PRO 2292 HD3 0.12 0.38 0.42 -0.04 3.65 4.52 1d7pM1 VAL 2293 H 0.02 0.55 0.35 -0.55 8.24 8.61 1d7pM1 VAL 2293 HA 0.04 0.13 0.90 -0.75 4.13 4.45 1d7pM1 VAL 2293 HB 0.08 -0.09 0.01 -0.04 2.12 2.07 1d7pM1 VAL 2293 HG13 0.08 0.05 -0.13 -0.04 0.97 0.93 1d7pM1 VAL 2293 HG23 0.02 0.06 -0.14 -0.04 0.95 0.85 1d7pM1 VAL 2294 H 0.04 0.17 0.14 -0.55 8.24 8.04 1d7pM1 VAL 2294 HA 0.04 0.20 0.99 -0.75 4.13 4.60 1d7pM1 VAL 2294 HB 0.04 -0.01 0.11 -0.04 2.12 2.21 1d7pM1 VAL 2294 HG13 0.03 -0.01 -0.24 -0.04 0.97 0.71 1d7pM1 VAL 2294 HG23 0.03 -0.01 -0.11 -0.04 0.95 0.82 1d7pM1 ASN 2295 H 0.04 0.80 0.36 -0.55 8.53 9.19 1d7pM1 ASN 2295 HA 0.10 0.15 0.94 -0.75 4.76 5.20 1d7pM1 ASN 2295 HB2 0.12 -0.01 0.09 -0.04 2.88 3.05 1d7pM1 ASN 2295 HB3 0.04 0.00 0.01 -0.04 2.79 2.80 1d7pM1 ASN 2295 HD21 0.16 0.61 -0.11 -0.04 7.03 7.65 1d7pM1 ASN 2295 HD22 0.30 -0.10 -0.21 -0.04 7.74 7.68 1d7pM1 CYS 2296 H 0.08 0.14 0.09 -0.55 8.50 8.26 1d7pM1 CYS 2296 HA 0.02 0.12 0.82 -0.75 4.58 4.79 1d7pM1 CYS 2296 HB2 0.06 -0.05 0.05 -0.04 2.97 3.00 1d7pM1 CYS 2296 HB3 0.05 0.10 0.04 -0.04 2.97 3.12 1d7pM1 LEU 2297 H 0.02 0.78 0.14 -0.55 8.37 8.76 1d7pM1 LEU 2297 HA 0.00 0.12 0.82 -0.75 4.35 4.54 1d7pM1 LEU 2297 HB2 -0.01 -0.06 -0.02 -0.04 1.64 1.51 1d7pM1 LEU 2297 HB3 -0.10 0.20 -0.07 -0.04 1.64 1.64 1d7pM1 LEU 2297 HG -0.16 -0.09 -0.32 -0.04 1.64 1.03 1d7pM1 LEU 2297 HD13 -0.16 -0.00 -0.15 -0.04 0.93 0.58 1d7pM1 LEU 2297 HD23 -0.68 0.03 -0.19 -0.04 0.89 0.00 1d7pM1 ASP 2298 H 0.30 0.25 0.01 -0.55 8.40 8.41 1d7pM1 ASP 2298 HA 0.15 0.08 0.78 -0.75 4.63 4.90 1d7pM1 ASP 2298 HB2 0.10 0.00 -0.10 -0.04 2.71 2.67 1d7pM1 ASP 2298 HB3 0.14 -0.01 0.13 -0.04 2.70 2.92 1d7pM1 PRO 2299 HA 0.13 0.06 0.37 -0.51 4.44 4.49 1d7pM1 PRO 2299 HB2 0.09 0.11 0.08 -0.04 2.28 2.53 1d7pM1 PRO 2299 HB3 0.07 -0.06 0.12 -0.04 2.02 2.11 1d7pM1 PRO 2299 HG2 0.11 0.09 -0.02 -0.04 2.03 2.17 1d7pM1 PRO 2299 HG3 0.02 -0.04 0.09 -0.04 2.03 2.06 1d7pM1 PRO 2299 HD2 -0.03 0.14 0.31 -0.04 3.68 4.06 1d7pM1 PRO 2299 HD3 0.04 0.02 0.28 -0.04 3.65 3.95 1d7pM1 PRO 2300 HA 0.11 0.20 0.59 -0.51 4.44 4.83 1d7pM1 PRO 2300 HB2 0.06 -0.09 -0.09 -0.04 2.28 2.12 1d7pM1 PRO 2300 HB3 0.05 0.07 -0.02 -0.04 2.02 2.07 1d7pM1 PRO 2300 HG2 0.05 -0.03 0.05 -0.04 2.03 2.06 1d7pM1 PRO 2300 HG3 0.06 0.13 0.12 -0.04 2.03 2.31 1d7pM1 PRO 2300 HD2 0.08 0.04 0.15 -0.04 3.68 3.91 1d7pM1 PRO 2300 HD3 0.08 0.04 0.23 -0.04 3.65 3.97 1d7pM1 LEU 2301 H 0.09 0.65 0.36 -0.55 8.37 8.92 1d7pM1 LEU 2301 HA 0.14 0.17 0.91 -0.75 4.35 4.82 1d7pM1 LEU 2301 HB2 0.12 -0.03 0.13 -0.04 1.64 1.82 1d7pM1 LEU 2301 HB3 0.14 -0.04 -0.09 -0.04 1.64 1.61 1d7pM1 LEU 2301 HG 0.31 0.09 -0.21 -0.04 1.64 1.79 1d7pM1 LEU 2301 HD13 0.21 -0.02 -0.11 -0.04 0.93 0.97 1d7pM1 LEU 2301 HD23 0.33 0.01 -0.06 -0.04 0.89 1.12 1d7pM1 LEU 2302 H 0.08 0.21 0.10 -0.55 8.37 8.21 1d7pM1 LEU 2302 HA 0.03 0.33 0.96 -0.75 4.35 4.93 1d7pM1 LEU 2302 HB2 0.04 -0.01 0.21 -0.04 1.64 1.84 1d7pM1 LEU 2302 HB3 0.03 -0.06 0.05 -0.04 1.64 1.62 1d7pM1 LEU 2302 HG 0.04 0.00 -0.17 -0.04 1.64 1.47 1d7pM1 LEU 2302 HD13 0.02 -0.00 -0.02 -0.04 0.93 0.89 1d7pM1 LEU 2302 HD23 0.01 0.00 -0.07 -0.04 0.89 0.80 1d7pM1 THR 2303 H 0.07 0.68 0.28 -0.55 8.28 8.76 1d7pM1 THR 2303 HA 0.07 0.07 0.74 -0.75 4.39 4.51 1d7pM1 THR 2303 HB 0.11 0.02 -0.35 -0.04 4.32 4.06 1d7pM1 THR 2303 HG23 0.22 0.02 -0.24 -0.04 1.22 1.18 1d7pM1 ARG 2304 H 0.10 0.20 0.27 -0.55 8.46 8.48 1d7pM1 ARG 2304 HA 0.17 0.34 0.73 -0.75 4.34 4.83 1d7pM1 ARG 2304 HB2 0.03 -0.07 -0.15 -0.04 1.90 1.66 1d7pM1 ARG 2304 HB3 0.08 0.12 0.12 -0.04 1.80 2.08 1d7pM1 ARG 2304 HG2 -0.62 -0.06 -0.17 -0.04 1.67 0.78 1d7pM1 ARG 2304 HG3 -0.11 -0.12 -0.11 -0.04 1.67 1.29 1d7pM1 ARG 2304 HD2 -0.02 0.01 -0.21 -0.04 3.22 2.96 1d7pM1 ARG 2304 HD3 0.08 0.17 -0.09 -0.04 3.22 3.34 1d7pM1 TYR 2305 H 0.16 0.28 0.30 -0.55 8.29 8.47 1d7pM1 TYR 2305 HA -0.16 0.38 1.17 -0.75 4.56 5.19 1d7pM1 TYR 2305 HB2 -0.31 -0.08 0.06 -0.04 3.06 2.68 1d7pM1 TYR 2305 HB3 0.23 0.06 -0.10 -0.04 2.98 3.13 1d7pM1 TYR 2305 HD2 -0.04 0.04 -0.23 -0.04 7.15 6.88 1d7pM1 TYR 2305 HE2 -0.03 0.09 -0.19 -0.04 6.85 6.68 1d7pM1 LEU 2306 H -0.00 0.63 0.37 -0.55 8.37 8.82 1d7pM1 LEU 2306 HA 0.25 0.22 1.04 -0.75 4.35 5.11 1d7pM1 LEU 2306 HB2 0.18 -0.02 -0.19 -0.04 1.64 1.57 1d7pM1 LEU 2306 HB3 -0.02 -0.04 0.06 -0.04 1.64 1.60 1d7pM1 LEU 2306 HG 0.06 0.07 -0.09 -0.04 1.64 1.64 1d7pM1 LEU 2306 HD13 0.13 0.02 -0.01 -0.04 0.93 1.03 1d7pM1 LEU 2306 HD23 0.11 -0.02 -0.09 -0.04 0.89 0.85 1d7pM1 ARG 2307 H 0.14 0.66 0.38 -0.55 8.46 9.09 1d7pM1 ARG 2307 HA -0.18 0.41 1.15 -0.75 4.34 4.97 1d7pM1 ARG 2307 HB2 -0.27 -0.07 -0.04 -0.04 1.90 1.48 1d7pM1 ARG 2307 HB3 -0.66 0.03 -0.18 -0.04 1.80 0.95 1d7pM1 ARG 2307 HG2 -0.61 0.07 -0.23 -0.04 1.67 0.86 1d7pM1 ARG 2307 HG3 -0.82 -0.08 -0.38 -0.04 1.67 0.35 1d7pM1 ARG 2307 HD2 -2.34 -0.06 -0.25 -0.04 3.22 0.53 1d7pM1 ARG 2307 HD3 -1.81 0.03 -0.23 -0.04 3.22 1.17 1d7pM1 ILE 2308 H -0.20 0.61 0.38 -0.55 8.25 8.49 1d7pM1 ILE 2308 HA 0.06 0.27 1.03 -0.75 4.18 4.78 1d7pM1 ILE 2308 HB -0.16 -0.06 0.18 -0.04 1.89 1.81 1d7pM1 ILE 2308 HG12 -0.14 -0.02 -0.16 -0.04 1.49 1.13 1d7pM1 ILE 2308 HG13 -0.23 -0.00 -0.07 -0.04 1.21 0.86 1d7pM1 ILE 2308 HG23 -0.30 0.00 -0.13 -0.04 0.93 0.45 1d7pM1 ILE 2308 HD13 -0.17 0.03 -0.09 -0.04 0.88 0.61 1d7pM1 HIS 2309 H 0.35 0.69 0.24 -0.55 8.41 9.15 1d7pM1 HIS 2309 HA 0.20 0.34 1.03 -0.75 4.63 5.45 1d7pM1 HIS 2309 HB2 0.18 -0.21 0.17 -0.04 3.26 3.36 1d7pM1 HIS 2309 HB3 0.17 0.22 0.03 -0.04 3.20 3.57 1d7pM1 HIS 2309 HD2 0.07 0.06 -0.47 -0.04 6.97 6.59 1d7pM1 HIS 2309 HE1 -0.40 -0.01 -0.20 -0.04 7.75 7.10 1d7pM1 PRO 2310 HA 0.35 0.06 0.57 -0.51 4.44 4.90 1d7pM1 PRO 2310 HB2 0.08 0.01 -0.04 -0.04 2.28 2.29 1d7pM1 PRO 2310 HB3 0.19 -0.02 0.01 -0.04 2.02 2.16 1d7pM1 PRO 2310 HG2 0.24 0.01 -0.08 -0.04 2.03 2.16 1d7pM1 PRO 2310 HG3 0.23 0.01 -0.07 -0.04 2.03 2.16 1d7pM1 PRO 2310 HD2 0.25 0.21 0.05 -0.04 3.68 4.14 1d7pM1 PRO 2310 HD3 0.21 0.23 -0.01 -0.04 3.65 4.04 1d7pM1 GLN 2311 H 0.35 0.61 0.49 -0.55 8.47 9.37 1d7pM1 GLN 2311 HA 0.31 0.18 0.95 -0.75 4.36 5.04 1d7pM1 GLN 2311 HB2 0.16 -0.05 -0.15 -0.04 2.15 2.07 1d7pM1 GLN 2311 HB3 0.12 -0.04 -0.01 -0.04 2.02 2.05 1d7pM1 GLN 2311 HG2 0.26 0.17 -0.14 -0.04 2.40 2.64 1d7pM1 GLN 2311 HG3 0.15 -0.05 -0.17 -0.04 2.39 2.27 1d7pM1 GLN 2311 HE21 0.19 0.11 0.02 -0.04 6.97 7.25 1d7pM1 GLN 2311 HE22 0.28 0.10 -0.54 -0.04 7.69 7.50 1d7pM1 SER 2312 H 0.28 0.33 0.37 -0.55 8.46 8.90 1d7pM1 SER 2312 HA -0.61 0.19 0.67 -0.75 4.49 3.98 1d7pM1 SER 2312 HB2 -0.25 0.04 0.09 -0.04 3.95 3.79 1d7pM1 SER 2312 HB3 -0.12 0.10 -0.12 -0.04 3.93 3.74 1d7pM1 TRP 2313 H -0.86 0.34 0.17 -0.55 7.97 7.07 1d7pM1 TRP 2313 HA -0.09 -0.01 0.85 -0.75 4.62 4.61 1d7pM1 TRP 2313 HB2 -0.16 0.23 -0.19 -0.04 3.23 3.06 1d7pM1 TRP 2313 HB3 -0.06 -0.01 -0.26 -0.04 3.23 2.86 1d7pM1 TRP 2313 HD1 -0.15 -0.02 -0.86 -0.04 7.22 6.15 1d7pM1 TRP 2313 HE1 -0.10 0.07 -0.21 -0.04 10.20 9.92 1d7pM1 TRP 2313 HE3 0.00 -0.05 -0.67 -0.04 7.59 6.84 1d7pM1 TRP 2313 HZ2 -0.06 0.12 -0.20 -0.04 7.44 7.26 1d7pM1 TRP 2313 HZ3 0.02 0.13 -0.57 -0.04 7.13 6.67 1d7pM1 TRP 2313 HH2 -0.02 -0.01 -0.27 -0.04 7.19 6.86 1d7pM1 VAL 2314 H -0.26 0.67 0.25 -0.55 8.24 8.35 1d7pM1 VAL 2314 HA -0.35 0.13 0.89 -0.75 4.13 4.05 1d7pM1 VAL 2314 HB -1.53 -0.03 0.07 -0.04 2.12 0.59 1d7pM1 VAL 2314 HG13 -0.79 0.02 -0.14 -0.04 0.97 0.01 1d7pM1 VAL 2314 HG23 -0.33 0.00 -0.14 -0.04 0.95 0.44 1d7pM1 HIS 2315 H -0.09 0.17 0.04 -0.55 8.41 7.98 1d7pM1 HIS 2315 HA -0.01 -0.01 0.39 -0.75 4.63 4.24 1d7pM1 HIS 2315 HB2 -0.10 0.37 0.29 -0.04 3.26 3.77 1d7pM1 HIS 2315 HB3 -0.07 -0.05 0.03 -0.04 3.20 3.07 1d7pM1 HIS 2315 HD2 -0.05 -0.01 0.06 -0.04 6.97 6.92 1d7pM1 HIS 2315 HE1 -0.01 -0.04 0.04 -0.04 7.75 7.70 1d7pM1 GLN 2316 H 0.01 0.67 0.25 -0.55 8.47 8.85 1d7pM1 GLN 2316 HA -0.21 0.10 0.62 -0.75 4.36 4.11 1d7pM1 GLN 2316 HB2 -0.25 -0.01 -0.16 -0.04 2.15 1.69 1d7pM1 GLN 2316 HB3 -0.39 0.05 -0.11 -0.04 2.02 1.53 1d7pM1 GLN 2316 HG2 -0.09 -0.11 -0.76 -0.04 2.40 1.40 1d7pM1 GLN 2316 HG3 -0.23 -0.01 -0.19 -0.04 2.39 1.93 1d7pM1 GLN 2316 HE21 -0.17 -0.05 -0.01 -0.04 6.97 6.69 1d7pM1 GLN 2316 HE22 -0.11 -0.04 -0.08 -0.04 7.69 7.42 1d7pM1 ILE 2317 H -0.70 0.13 -0.02 -0.55 8.25 7.11 1d7pM1 ILE 2317 HA -0.31 0.05 0.49 -0.75 4.18 3.66 1d7pM1 ILE 2317 HB -0.77 0.00 0.11 -0.04 1.89 1.19 1d7pM1 ILE 2317 HG12 -0.82 0.01 -0.20 -0.04 1.49 0.44 1d7pM1 ILE 2317 HG13 -2.14 -0.07 -0.16 -0.04 1.21 -1.19 1d7pM1 ILE 2317 HG23 -0.43 0.02 -0.20 -0.04 0.93 0.28 1d7pM1 ILE 2317 HD13 -1.08 0.01 -0.11 -0.04 0.88 -0.33 1d7pM1 ALA 2318 H -0.14 0.20 0.03 -0.55 8.40 7.95 1d7pM1 ALA 2318 HA -0.26 0.37 0.67 -0.75 4.34 4.38 1d7pM1 ALA 2318 HB3 -0.16 0.02 -0.26 -0.04 1.41 0.97 1d7pM1 LEU 2319 H 0.09 0.45 0.18 -0.55 8.37 8.54 1d7pM1 LEU 2319 HA 0.07 0.31 1.10 -0.75 4.35 5.08 1d7pM1 LEU 2319 HB2 0.18 -0.04 -0.29 -0.04 1.64 1.45 1d7pM1 LEU 2319 HB3 0.44 -0.02 0.00 -0.04 1.64 2.02 1d7pM1 LEU 2319 HG 0.06 0.01 -0.39 -0.04 1.64 1.28 1d7pM1 LEU 2319 HD13 -0.04 0.01 0.08 -0.04 0.93 0.94 1d7pM1 LEU 2319 HD23 0.01 -0.02 -0.10 -0.04 0.89 0.73 1d7pM1 ARG 2320 H 0.04 0.64 0.35 -0.55 8.46 8.95 1d7pM1 ARG 2320 HA 0.06 -0.01 0.39 -0.75 4.34 4.03 1d7pM1 ARG 2320 HB2 0.03 0.06 -0.02 -0.04 1.90 1.92 1d7pM1 ARG 2320 HB3 0.00 -0.13 -0.33 -0.04 1.80 1.30 1d7pM1 ARG 2320 HG2 0.08 0.05 0.07 -0.04 1.67 1.84 1d7pM1 ARG 2320 HG3 0.11 -0.07 -0.16 -0.04 1.67 1.52 1d7pM1 ARG 2320 HD2 0.06 -0.20 0.11 -0.04 3.22 3.14 1d7pM1 ARG 2320 HD3 0.11 0.36 0.13 -0.04 3.22 3.78 1d7pM1 MET 2321 H -0.00 0.55 -0.10 -0.55 8.47 8.36 1d7pM1 MET 2321 HA -0.05 0.25 0.99 -0.75 4.52 4.96 1d7pM1 MET 2321 HB2 -0.08 0.03 0.27 -0.04 2.15 2.33 1d7pM1 MET 2321 HB3 -0.08 -0.05 -0.15 -0.04 2.03 1.71 1d7pM1 MET 2321 HG2 -0.04 0.13 -0.02 -0.04 2.63 2.65 1d7pM1 MET 2321 HG3 -0.04 -0.09 -0.23 -0.04 2.56 2.17 1d7pM1 MET 2321 HE3 -0.09 -0.02 -0.14 -0.04 2.10 1.81 1d7pM1 GLU 2322 H -0.04 0.64 0.46 -0.55 8.60 9.11 1d7pM1 GLU 2322 HA 0.00 -0.02 0.70 -0.75 4.29 4.22 1d7pM1 GLU 2322 HB2 -0.00 0.06 -0.02 -0.04 2.09 2.08 1d7pM1 GLU 2322 HB3 -0.01 0.03 0.02 -0.04 1.99 1.99 1d7pM1 GLU 2322 HG2 0.02 0.08 0.02 -0.04 2.34 2.42 1d7pM1 GLU 2322 HG3 0.01 0.15 -0.07 -0.04 2.34 2.39 1d7pM1 VAL 2323 H 0.03 0.02 0.27 -0.55 8.24 8.00 1d7pM1 VAL 2323 HA 0.00 0.27 1.10 -0.75 4.13 4.75 1d7pM1 VAL 2323 HB 0.10 -0.11 0.09 -0.04 2.12 2.16 1d7pM1 VAL 2323 HG13 0.09 0.05 -0.03 -0.04 0.97 1.03 1d7pM1 VAL 2323 HG23 0.14 0.01 -0.12 -0.04 0.95 0.94 1d7pM1 LEU 2324 H -0.02 0.88 0.31 -0.55 8.37 8.98 1d7pM1 LEU 2324 HA -0.03 0.30 0.76 -0.75 4.35 4.63 1d7pM1 LEU 2324 HB2 -0.02 -0.05 -0.12 -0.04 1.64 1.41 1d7pM1 LEU 2324 HB3 -0.01 0.06 -0.24 -0.04 1.64 1.41 1d7pM1 LEU 2324 HG -0.01 -0.10 -0.48 -0.04 1.64 1.01 1d7pM1 LEU 2324 HD13 0.00 0.02 -0.24 -0.04 0.93 0.68 1d7pM1 LEU 2324 HD23 -0.00 0.04 -0.37 -0.04 0.89 0.52 1d7pM1 GLY 2325 H -0.05 0.51 0.20 -0.55 8.43 8.54 1d7pM1 GLY 2325 HA2 -0.04 0.11 0.24 -0.51 4.01 3.81 1d7pM1 GLY 2325 HA3 -0.10 0.23 0.77 -0.51 4.01 4.40 1d7pM1 CYS 2326 H -0.09 0.62 0.34 -0.55 8.50 8.82 1d7pM1 CYS 2326 HA -0.07 0.11 0.53 -0.75 4.58 4.40 1d7pM1 CYS 2326 HB2 -0.03 -0.09 0.23 -0.04 2.97 3.04 1d7pM1 CYS 2326 HB3 -0.03 0.03 -0.08 -0.04 2.97 2.84 1d7pM1 GLU 2327 H -0.04 0.11 0.18 -0.55 8.60 8.31 1d7pM1 GLU 2327 HA -0.06 0.09 0.57 -0.75 4.29 4.14 1d7pM1 GLU 2327 HB2 -0.02 -0.01 0.12 -0.04 2.09 2.13 1d7pM1 GLU 2327 HB3 -0.03 0.11 0.09 -0.04 1.99 2.12 1d7pM1 GLU 2327 HG2 -0.04 -0.08 0.09 -0.04 2.34 2.27 1d7pM1 GLU 2327 HG3 -0.02 0.02 0.05 -0.04 2.34 2.35 1d7pM1 ALA 2328 H -0.03 0.25 0.11 -0.55 8.40 8.19 1d7pM1 ALA 2328 HA -0.01 0.19 0.73 -0.75 4.34 4.49 1d7pM1 ALA 2328 HB3 -0.01 0.02 -0.23 -0.04 1.41 1.14 1d7pM1 GLN 2329 H 0.00 0.10 -0.03 -0.55 8.47 7.99 1d7pM1 GLN 2329 HA 0.00 0.04 0.17 -0.75 4.36 3.82 1d7pM1 GLN 2329 HB2 -0.00 0.12 -0.16 -0.04 2.15 2.07 1d7pM1 GLN 2329 HB3 0.00 0.02 0.06 -0.04 2.02 2.06 1d7pM1 GLN 2329 HG2 0.00 -0.01 0.03 -0.04 2.40 2.39 1d7pM1 GLN 2329 HG3 0.00 0.01 -0.08 -0.04 2.39 2.28 1d7pM1 GLN 2329 HE21 0.01 0.03 0.03 -0.04 6.97 7.00 1d7pM1 GLN 2329 HE22 0.01 -0.01 0.03 -0.04 7.69 7.67