============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. TYR 7 0.840 -12.274 -26.264 8.901 -99.200 -91.000 HIS 14 0.900 -4.710 -13.129 25.588 -99.200 -91.000 PHE 20 1.000 -12.318 -7.696 42.253 -99.200 -91.000 HIS 22 0.900 -12.226 -2.124 31.988 -99.200 -91.000 HIS 41 0.900 -18.621 -22.005 9.508 -99.200 -91.000 PHE 56 1.000 -18.430 -9.439 32.046 -99.200 -91.000 HIS 57 0.900 -21.528 -17.259 34.134 -99.200 -91.000 PHE 74 1.000 -28.902 -20.791 13.622 -99.200 -91.000 TYR 96 0.840 -12.806 -17.920 38.931 -99.200 -91.000 PHE 102 1.000 -25.188 -18.556 23.566 -99.200 -91.000 PHE 103 1.000 -18.648 -11.946 21.265 -99.200 -91.000 TYR 105 0.840 -17.530 -11.977 14.848 -99.200 -91.000 PHE 131 1.000 -28.019 -25.533 13.540 -99.200 -91.000 TYR 138 0.840 -31.630 -15.986 12.355 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2q2bB1 GLU 177 HA -0.04 -0.01 0.12 -0.75 4.29 3.61 2q2bB1 GLU 177 HB2 0.05 -0.11 0.09 -0.04 2.09 2.08 2q2bB1 GLU 177 HB3 0.02 -0.04 0.05 -0.04 1.99 1.98 2q2bB1 GLU 177 HG2 0.04 -0.04 -0.01 -0.04 2.34 2.29 2q2bB1 GLU 177 HG3 0.03 0.02 -0.01 -0.04 2.34 2.34 2q2bB1 PRO 178 HA -1.73 0.04 0.71 -0.51 4.44 2.95 2q2bB1 PRO 178 HB2 -0.35 0.02 -0.02 -0.04 2.28 1.89 2q2bB1 PRO 178 HB3 -0.73 0.07 0.13 -0.04 2.02 1.45 2q2bB1 PRO 178 HG2 -0.20 -0.00 0.07 -0.04 2.03 1.86 2q2bB1 PRO 178 HG3 -0.32 0.02 0.08 -0.04 2.03 1.76 2q2bB1 PRO 178 HD2 -0.15 0.06 0.17 -0.04 3.68 3.71 2q2bB1 PRO 178 HD3 -0.12 0.12 0.11 -0.04 3.65 3.72 2q2bB1 ASN 179 H -0.41 0.19 0.15 -0.55 8.53 7.92 2q2bB1 ASN 179 HA 0.03 0.07 0.32 -0.75 4.76 4.42 2q2bB1 ASN 179 HB2 -0.09 0.14 -0.04 -0.04 2.88 2.85 2q2bB1 ASN 179 HB3 0.00 0.30 0.25 -0.04 2.79 3.30 2q2bB1 ASN 179 HD21 -0.33 0.02 0.01 -0.04 7.03 6.69 2q2bB1 ASN 179 HD22 -0.57 0.06 -0.04 -0.04 7.74 7.16 2q2bB1 THR 180 H 0.04 0.17 -0.39 -0.55 8.28 7.55 2q2bB1 THR 180 HA 0.08 0.29 0.86 -0.75 4.39 4.87 2q2bB1 THR 180 HB 0.07 -0.23 0.17 -0.04 4.32 4.29 2q2bB1 THR 180 HG23 0.02 0.10 -0.08 -0.04 1.22 1.21 2q2bB1 VAL 181 H 0.08 0.18 0.13 -0.55 8.24 8.08 2q2bB1 VAL 181 HA 0.07 0.13 0.49 -0.75 4.13 4.06 2q2bB1 VAL 181 HB 0.06 -0.11 0.17 -0.04 2.12 2.19 2q2bB1 VAL 181 HG13 0.04 0.01 -0.03 -0.04 0.97 0.95 2q2bB1 VAL 181 HG23 0.08 0.05 0.04 -0.04 0.95 1.08 2q2bB1 SER 182 H 0.07 0.08 -0.03 -0.55 8.46 8.04 2q2bB1 SER 182 HA 0.04 0.07 0.35 -0.75 4.49 4.20 2q2bB1 SER 182 HB2 0.07 0.08 -0.01 -0.04 3.95 4.05 2q2bB1 SER 182 HB3 0.04 0.06 0.07 -0.04 3.93 4.06 2q2bB1 TYR 183 H 0.19 0.05 -0.64 -0.55 8.29 7.34 2q2bB1 TYR 183 HA 0.01 0.07 0.35 -0.75 4.56 4.24 2q2bB1 TYR 183 HB2 0.02 0.26 0.17 -0.04 3.06 3.47 2q2bB1 TYR 183 HB3 0.05 0.11 0.13 -0.04 2.98 3.23 2q2bB1 TYR 183 HD2 0.02 0.01 -0.11 -0.04 7.15 7.03 2q2bB1 TYR 183 HE2 -0.02 0.17 0.03 -0.04 6.85 6.98 2q2bB1 SER 184 H 0.12 0.22 -0.15 -0.55 8.46 8.11 2q2bB1 SER 184 HA -0.14 0.22 0.77 -0.75 4.49 4.59 2q2bB1 SER 184 HB2 0.03 0.09 0.17 -0.04 3.95 4.20 2q2bB1 SER 184 HB3 0.19 0.00 -0.20 -0.04 3.93 3.87 2q2bB1 GLN 185 H 0.00 0.14 -0.19 -0.55 8.47 7.88 2q2bB1 GLN 185 HA -0.01 0.05 0.68 -0.75 4.36 4.33 2q2bB1 GLN 185 HB2 0.01 0.01 0.17 -0.04 2.15 2.30 2q2bB1 GLN 185 HB3 -0.01 -0.01 0.06 -0.04 2.02 2.01 2q2bB1 GLN 185 HG2 -0.01 -0.01 -0.05 -0.04 2.40 2.30 2q2bB1 GLN 185 HG3 0.01 -0.03 0.07 -0.04 2.39 2.39 2q2bB1 GLN 185 HE21 0.02 -0.08 -0.06 -0.04 6.97 6.82 2q2bB1 GLN 185 HE22 0.02 0.01 -0.06 -0.04 7.69 7.61 2q2bB1 SER 186 H -0.04 0.58 0.48 -0.55 8.46 8.94 2q2bB1 SER 186 HA -0.05 0.17 0.93 -0.75 4.49 4.79 2q2bB1 SER 186 HB2 -0.07 -0.04 0.07 -0.04 3.95 3.87 2q2bB1 SER 186 HB3 -0.06 -0.06 0.03 -0.04 3.93 3.80 2q2bB1 SER 187 H -0.03 0.28 0.24 -0.55 8.46 8.40 2q2bB1 SER 187 HA -0.03 0.27 0.79 -0.75 4.49 4.76 2q2bB1 SER 187 HB2 -0.02 0.02 -0.06 -0.04 3.95 3.86 2q2bB1 SER 187 HB3 -0.02 -0.03 -0.09 -0.04 3.93 3.74 2q2bB1 LEU 188 H -0.00 0.54 0.38 -0.55 8.37 8.74 2q2bB1 LEU 188 HA 0.03 0.17 0.83 -0.75 4.35 4.62 2q2bB1 LEU 188 HB2 0.05 -0.02 0.09 -0.04 1.64 1.72 2q2bB1 LEU 188 HB3 0.24 -0.00 0.06 -0.04 1.64 1.91 2q2bB1 LEU 188 HG -0.00 -0.04 -0.25 -0.04 1.64 1.31 2q2bB1 LEU 188 HD13 0.05 0.00 -0.08 -0.04 0.93 0.87 2q2bB1 LEU 188 HD23 0.02 0.07 0.03 -0.04 0.89 0.97 2q2bB1 ILE 189 H 0.04 0.26 0.16 -0.55 8.25 8.16 2q2bB1 ILE 189 HA 0.07 0.45 1.13 -0.75 4.18 5.07 2q2bB1 ILE 189 HB -0.02 -0.02 0.06 -0.04 1.89 1.87 2q2bB1 ILE 189 HG12 0.00 0.05 -0.18 -0.04 1.49 1.32 2q2bB1 ILE 189 HG13 0.00 -0.08 -0.43 -0.04 1.21 0.65 2q2bB1 ILE 189 HG23 -0.00 -0.00 -0.22 -0.04 0.93 0.67 2q2bB1 ILE 189 HD13 -0.01 0.00 -0.10 -0.04 0.88 0.73 2q2bB1 HIS 190 H 0.13 0.58 0.28 -0.55 8.41 8.86 2q2bB1 HIS 190 HA -0.01 0.16 0.99 -0.75 4.63 5.01 2q2bB1 HIS 190 HB2 -0.01 -0.01 0.02 -0.04 3.26 3.22 2q2bB1 HIS 190 HB3 -0.01 0.08 -0.12 -0.04 3.20 3.10 2q2bB1 HIS 190 HD2 -0.01 0.01 -0.01 -0.04 6.97 6.91 2q2bB1 HIS 190 HE1 -0.02 -0.00 -0.06 -0.04 7.75 7.62 2q2bB1 LEU 191 H -0.01 0.17 0.16 -0.55 8.37 8.14 2q2bB1 LEU 191 HA 0.02 0.16 0.82 -0.75 4.35 4.60 2q2bB1 LEU 191 HB2 -0.01 -0.01 0.12 -0.04 1.64 1.70 2q2bB1 LEU 191 HB3 0.01 -0.04 0.06 -0.04 1.64 1.63 2q2bB1 LEU 191 HG 0.00 0.00 -0.02 -0.04 1.64 1.58 2q2bB1 LEU 191 HD13 0.00 -0.01 -0.06 -0.04 0.93 0.82 2q2bB1 LEU 191 HD23 0.02 0.06 -0.12 -0.04 0.89 0.80 2q2bB1 VAL 192 H 0.04 0.71 0.32 -0.55 8.24 8.76 2q2bB1 VAL 192 HA 0.04 0.03 0.72 -0.75 4.13 4.17 2q2bB1 VAL 192 HB 0.04 -0.05 0.30 -0.04 2.12 2.37 2q2bB1 VAL 192 HG13 0.04 -0.01 -0.19 -0.04 0.97 0.77 2q2bB1 VAL 192 HG23 0.03 0.00 -0.06 -0.04 0.95 0.88 2q2bB1 GLY 193 H 0.03 0.14 0.15 -0.55 8.43 8.21 2q2bB1 GLY 193 HA2 0.02 0.16 0.74 -0.51 4.01 4.43 2q2bB1 GLY 193 HA3 0.02 0.04 0.33 -0.51 4.01 3.89 2q2bB1 PRO 194 HA 0.03 0.14 0.31 -0.51 4.44 4.40 2q2bB1 PRO 194 HB2 0.01 0.04 0.08 -0.04 2.28 2.38 2q2bB1 PRO 194 HB3 0.01 0.05 0.05 -0.04 2.02 2.09 2q2bB1 PRO 194 HG2 0.02 0.04 0.07 -0.04 2.03 2.11 2q2bB1 PRO 194 HG3 0.01 0.06 0.06 -0.04 2.03 2.12 2q2bB1 PRO 194 HD2 0.02 0.10 0.16 -0.04 3.68 3.92 2q2bB1 PRO 194 HD3 0.02 0.14 0.15 -0.04 3.65 3.92 2q2bB1 GLY 201 HA2 -0.04 -0.02 0.57 -0.51 4.01 4.00 2q2bB1 GLY 201 HA3 0.03 -0.11 0.32 -0.51 4.01 3.75 2q2bB1 PHE 202 H -0.03 0.18 0.04 -0.55 8.34 7.98 2q2bB1 PHE 202 HA 0.03 0.25 0.34 -0.75 4.62 4.48 2q2bB1 PHE 202 HB2 0.01 -0.07 -0.02 -0.04 3.15 3.03 2q2bB1 PHE 202 HB3 0.01 0.01 -0.01 -0.04 3.06 3.03 2q2bB1 PHE 202 HD2 0.01 0.36 0.34 -0.04 7.28 7.95 2q2bB1 PHE 202 HE2 0.01 -0.00 -0.05 -0.04 7.38 7.29 2q2bB1 PHE 202 HZ 0.00 -0.01 -0.05 -0.04 7.32 7.22 2q2bB1 VAL 203 H 0.14 0.84 0.20 -0.55 8.24 8.87 2q2bB1 VAL 203 HA 0.06 0.07 0.74 -0.75 4.13 4.24 2q2bB1 VAL 203 HB 0.03 -0.03 0.08 -0.04 2.12 2.16 2q2bB1 VAL 203 HG13 -0.06 0.02 -0.12 -0.04 0.97 0.77 2q2bB1 VAL 203 HG23 0.05 0.05 -0.15 -0.04 0.95 0.86 2q2bB1 HIS 204 H 0.03 0.13 0.12 -0.55 8.41 8.15 2q2bB1 HIS 204 HA -0.05 0.14 0.45 -0.75 4.63 4.42 2q2bB1 HIS 204 HB2 -0.04 0.01 0.11 -0.04 3.26 3.31 2q2bB1 HIS 204 HB3 -0.00 0.12 0.09 -0.04 3.20 3.36 2q2bB1 HIS 204 HD2 0.00 0.10 0.06 -0.04 6.97 7.09 2q2bB1 HIS 204 HE1 0.00 0.05 -0.04 -0.04 7.75 7.72 2q2bB1 GLY 205 H -0.12 0.21 0.15 -0.55 8.43 8.12 2q2bB1 GLY 205 HA2 -0.43 0.11 0.32 -0.51 4.01 3.50 2q2bB1 GLY 205 HA3 -0.47 0.10 0.31 -0.51 4.01 3.43 2q2bB1 GLY 206 H 0.27 0.09 -0.29 -0.55 8.43 7.95 2q2bB1 GLY 206 HA2 0.10 0.06 0.28 -0.51 4.01 3.94 2q2bB1 GLY 206 HA3 0.20 0.08 0.22 -0.51 4.01 4.00 2q2bB1 VAL 207 H -0.53 0.36 -0.23 -0.55 8.24 7.28 2q2bB1 VAL 207 HA -0.11 0.06 0.42 -0.75 4.13 3.75 2q2bB1 VAL 207 HB -0.25 0.10 0.08 -0.04 2.12 2.01 2q2bB1 VAL 207 HG13 -0.07 0.01 -0.15 -0.04 0.97 0.71 2q2bB1 VAL 207 HG23 -0.26 -0.00 0.02 -0.04 0.95 0.66 2q2bB1 THR 208 H -0.04 0.29 -0.15 -0.55 8.28 7.84 2q2bB1 THR 208 HA -0.00 0.03 0.34 -0.75 4.39 4.00 2q2bB1 THR 208 HB 0.29 0.12 0.04 -0.04 4.32 4.73 2q2bB1 THR 208 HG23 0.11 -0.00 -0.16 -0.04 1.22 1.13 2q2bB1 MET 209 H 0.13 0.57 -0.19 -0.55 8.47 8.43 2q2bB1 MET 209 HA 0.15 0.02 0.27 -0.75 4.52 4.21 2q2bB1 MET 209 HB2 0.12 0.10 0.06 -0.04 2.15 2.39 2q2bB1 MET 209 HB3 0.14 -0.01 -0.08 -0.04 2.03 2.04 2q2bB1 MET 209 HG2 0.16 -0.01 -0.07 -0.04 2.63 2.67 2q2bB1 MET 209 HG3 0.43 0.04 -0.09 -0.04 2.56 2.89 2q2bB1 MET 209 HE3 0.08 0.01 -0.07 -0.04 2.10 2.08 2q2bB1 LYS 210 H 0.04 0.48 -0.23 -0.55 8.42 8.16 2q2bB1 LYS 210 HA 0.06 0.01 0.35 -0.75 4.32 3.98 2q2bB1 LYS 210 HB2 0.03 0.01 0.11 -0.04 1.87 1.97 2q2bB1 LYS 210 HB3 -0.01 0.17 0.19 -0.04 1.79 2.11 2q2bB1 LYS 210 HG2 -0.01 0.00 -0.25 -0.04 1.46 1.16 2q2bB1 LYS 210 HG3 0.02 -0.04 -0.00 -0.04 1.46 1.40 2q2bB1 LYS 210 HD2 0.02 -0.01 -0.01 -0.04 1.69 1.65 2q2bB1 LYS 210 HD3 -0.00 -0.00 -0.01 -0.04 1.68 1.62 2q2bB1 LYS 210 HE2 0.01 -0.01 -0.05 -0.04 2.99 2.90 2q2bB1 LYS 210 HE3 0.02 0.00 -0.03 -0.04 2.99 2.95 2q2bB1 LEU 211 H -0.04 0.49 -0.13 -0.55 8.37 8.14 2q2bB1 LEU 211 HA -0.11 0.00 0.45 -0.75 4.35 3.93 2q2bB1 LEU 211 HB2 -0.10 0.10 0.09 -0.04 1.64 1.68 2q2bB1 LEU 211 HB3 -0.21 -0.04 -0.02 -0.04 1.64 1.33 2q2bB1 LEU 211 HG -0.15 0.03 0.02 -0.04 1.64 1.50 2q2bB1 LEU 211 HD13 -0.21 -0.01 -0.11 -0.04 0.93 0.56 2q2bB1 LEU 211 HD23 -0.56 -0.01 -0.03 -0.04 0.89 0.25 2q2bB1 MET 212 H 0.01 0.51 -0.34 -0.55 8.47 8.10 2q2bB1 MET 212 HA -0.09 0.01 0.37 -0.75 4.52 4.05 2q2bB1 MET 212 HB2 0.19 0.16 0.10 -0.04 2.15 2.57 2q2bB1 MET 212 HB3 0.19 -0.07 -0.09 -0.04 2.03 2.02 2q2bB1 MET 212 HG2 0.00 -0.04 -0.16 -0.04 2.63 2.39 2q2bB1 MET 212 HG3 0.02 0.19 -0.11 -0.04 2.56 2.62 2q2bB1 MET 212 HE3 -0.04 -0.03 -0.30 -0.04 2.10 1.69 2q2bB1 ASP 213 H 0.00 0.52 -0.14 -0.55 8.40 8.24 2q2bB1 ASP 213 HA -0.59 -0.01 0.40 -0.75 4.63 3.67 2q2bB1 ASP 213 HB2 0.21 0.01 0.06 -0.04 2.71 2.95 2q2bB1 ASP 213 HB3 0.05 0.17 0.13 -0.04 2.70 3.00 2q2bB1 GLU 214 H -0.07 0.45 -0.19 -0.55 8.60 8.24 2q2bB1 GLU 214 HA -0.04 0.02 0.38 -0.75 4.29 3.90 2q2bB1 GLU 214 HB2 -0.07 0.07 0.16 -0.04 2.09 2.21 2q2bB1 GLU 214 HB3 -0.05 0.00 -0.04 -0.04 1.99 1.87 2q2bB1 GLU 214 HG2 -0.01 -0.01 -0.01 -0.04 2.34 2.27 2q2bB1 GLU 214 HG3 -0.01 -0.02 0.02 -0.04 2.34 2.28 2q2bB1 VAL 215 H -0.13 0.46 -0.17 -0.55 8.24 7.85 2q2bB1 VAL 215 HA -0.10 0.02 0.37 -0.75 4.13 3.66 2q2bB1 VAL 215 HB -0.14 0.08 0.01 -0.04 2.12 2.03 2q2bB1 VAL 215 HG13 -0.09 -0.02 -0.31 -0.04 0.97 0.50 2q2bB1 VAL 215 HG23 -0.06 0.04 0.01 -0.04 0.95 0.90 2q2bB1 ALA 216 H -0.33 0.57 -0.21 -0.55 8.40 7.87 2q2bB1 ALA 216 HA -0.27 -0.02 0.29 -0.75 4.34 3.58 2q2bB1 ALA 216 HB3 -0.53 0.02 0.01 -0.04 1.41 0.87 2q2bB1 GLY 217 H -0.24 0.72 -0.21 -0.55 8.43 8.16 2q2bB1 GLY 217 HA2 -0.64 -0.05 0.33 -0.51 4.01 3.14 2q2bB1 GLY 217 HA3 -0.14 0.08 0.25 -0.51 4.01 3.68 2q2bB1 ILE 218 H -0.16 0.40 -0.31 -0.55 8.25 7.63 2q2bB1 ILE 218 HA -0.09 0.01 0.35 -0.75 4.18 3.70 2q2bB1 ILE 218 HB -0.09 0.11 0.16 -0.04 1.89 2.02 2q2bB1 ILE 218 HG12 -0.05 -0.05 -0.01 -0.04 1.49 1.34 2q2bB1 ILE 218 HG13 -0.07 0.12 0.02 -0.04 1.21 1.24 2q2bB1 ILE 218 HG23 -0.06 -0.00 -0.12 -0.04 0.93 0.70 2q2bB1 ILE 218 HD13 -0.04 -0.04 -0.11 -0.04 0.88 0.65 2q2bB1 VAL 219 H -0.15 0.52 -0.01 -0.55 8.24 8.05 2q2bB1 VAL 219 HA -0.07 0.19 0.56 -0.75 4.13 4.06 2q2bB1 VAL 219 HB -0.07 0.19 0.12 -0.04 2.12 2.32 2q2bB1 VAL 219 HG13 -0.14 0.08 -0.06 -0.04 0.97 0.81 2q2bB1 VAL 219 HG23 -0.05 -0.07 -0.25 -0.04 0.95 0.54 2q2bB1 ALA 220 H -0.26 0.43 -0.39 -0.55 8.40 7.65 2q2bB1 ALA 220 HA -0.05 0.03 0.42 -0.75 4.34 3.98 2q2bB1 ALA 220 HB3 -0.32 0.01 -0.03 -0.04 1.41 1.03 2q2bB1 ALA 221 H -0.11 0.59 -0.04 -0.55 8.40 8.30 2q2bB1 ALA 221 HA -0.00 0.05 0.46 -0.75 4.34 4.10 2q2bB1 ALA 221 HB3 -0.03 0.01 0.08 -0.04 1.41 1.43 2q2bB1 ARG 222 H -0.03 0.47 -0.23 -0.55 8.46 8.12 2q2bB1 ARG 222 HA -0.01 0.04 0.50 -0.75 4.34 4.11 2q2bB1 ARG 222 HB2 -0.04 0.13 0.17 -0.04 1.90 2.12 2q2bB1 ARG 222 HB3 -0.11 -0.02 -0.02 -0.04 1.80 1.61 2q2bB1 ARG 222 HG2 -0.12 -0.05 0.05 -0.04 1.67 1.51 2q2bB1 ARG 222 HG3 -0.07 -0.00 0.03 -0.04 1.67 1.59 2q2bB1 ARG 222 HD2 -0.10 0.05 -0.08 -0.04 3.22 3.05 2q2bB1 ARG 222 HD3 -0.19 0.09 0.04 -0.04 3.22 3.12 2q2bB1 HIS 223 H 0.12 0.25 -0.37 -0.55 8.41 7.88 2q2bB1 HIS 223 HA 0.16 -0.01 0.42 -0.75 4.63 4.44 2q2bB1 HIS 223 HB2 0.03 0.03 0.10 -0.04 3.26 3.38 2q2bB1 HIS 223 HB3 0.00 0.06 0.15 -0.04 3.20 3.36 2q2bB1 HIS 223 HD2 -0.01 -0.03 -0.18 -0.04 6.97 6.70 2q2bB1 HIS 223 HE1 0.00 0.03 -0.18 -0.04 7.75 7.56 2q2bB1 CYS 224 H 0.08 0.36 -0.03 -0.55 8.50 8.36 2q2bB1 CYS 224 HA -0.10 0.23 0.90 -0.75 4.58 4.86 2q2bB1 CYS 224 HB2 0.02 0.00 0.09 -0.04 2.97 3.04 2q2bB1 CYS 224 HB3 0.12 0.00 -0.05 -0.04 2.97 3.00 2q2bB1 LYS 225 H 0.02 0.32 -0.03 -0.55 8.42 8.18 2q2bB1 LYS 225 HA 0.01 0.19 0.36 -0.75 4.32 4.13 2q2bB1 LYS 225 HB2 -0.00 0.11 -0.40 -0.04 1.87 1.54 2q2bB1 LYS 225 HB3 0.01 -0.09 0.15 -0.04 1.79 1.81 2q2bB1 LYS 225 HG2 0.02 -0.10 -0.00 -0.04 1.46 1.34 2q2bB1 LYS 225 HG3 0.02 0.01 0.06 -0.04 1.46 1.50 2q2bB1 LYS 225 HD2 0.06 0.18 -0.20 -0.04 1.69 1.69 2q2bB1 LYS 225 HD3 0.03 -0.01 -0.23 -0.04 1.68 1.42 2q2bB1 LYS 225 HE2 0.07 -0.05 0.02 -0.04 2.99 2.99 2q2bB1 LYS 225 HE3 0.22 0.06 0.01 -0.04 2.99 3.24 2q2bB1 THR 226 H 0.02 0.01 -0.47 -0.55 8.28 7.30 2q2bB1 THR 226 HA 0.01 0.13 0.80 -0.75 4.39 4.57 2q2bB1 THR 226 HB 0.02 0.03 0.16 -0.04 4.32 4.49 2q2bB1 THR 226 HG23 0.01 0.04 -0.08 -0.04 1.22 1.14 2q2bB1 ASN 227 H 0.02 0.12 0.15 -0.55 8.53 8.27 2q2bB1 ASN 227 HA 0.03 0.08 0.65 -0.75 4.76 4.77 2q2bB1 ASN 227 HB2 0.02 -0.02 0.11 -0.04 2.88 2.95 2q2bB1 ASN 227 HB3 0.02 -0.02 0.13 -0.04 2.79 2.88 2q2bB1 ASN 227 HD21 0.02 0.10 -0.14 -0.04 7.03 6.98 2q2bB1 ASN 227 HD22 0.02 -0.01 0.01 -0.04 7.74 7.72 2q2bB1 ILE 228 H 0.05 0.14 0.16 -0.55 8.25 8.06 2q2bB1 ILE 228 HA 0.10 0.24 0.82 -0.75 4.18 4.58 2q2bB1 ILE 228 HB 0.04 0.06 -0.09 -0.04 1.89 1.87 2q2bB1 ILE 228 HG12 0.06 0.08 -0.35 -0.04 1.49 1.24 2q2bB1 ILE 228 HG13 0.01 -0.08 -0.33 -0.04 1.21 0.76 2q2bB1 ILE 228 HG23 0.11 -0.00 -0.13 -0.04 0.93 0.88 2q2bB1 ILE 228 HD13 0.26 0.04 -0.13 -0.04 0.88 1.01 2q2bB1 VAL 229 H 0.16 0.53 0.29 -0.55 8.24 8.67 2q2bB1 VAL 229 HA 0.10 0.08 0.72 -0.75 4.13 4.28 2q2bB1 VAL 229 HB 0.04 0.02 -0.21 -0.04 2.12 1.93 2q2bB1 VAL 229 HG13 0.00 0.03 -0.16 -0.04 0.97 0.81 2q2bB1 VAL 229 HG23 -0.01 0.02 0.05 -0.04 0.95 0.97 2q2bB1 THR 230 H -0.18 0.12 0.11 -0.55 8.28 7.78 2q2bB1 THR 230 HA -1.18 0.04 0.55 -0.75 4.39 3.05 2q2bB1 THR 230 HB -0.14 0.01 0.02 -0.04 4.32 4.16 2q2bB1 THR 230 HG23 -0.07 -0.01 -0.16 -0.04 1.22 0.94 2q2bB1 ALA 231 H -0.20 0.58 0.48 -0.55 8.40 8.71 2q2bB1 ALA 231 HA -0.06 0.14 0.78 -0.75 4.34 4.45 2q2bB1 ALA 231 HB3 -0.01 0.00 -0.01 -0.04 1.41 1.35 2q2bB1 SER 232 H -0.04 0.49 0.36 -0.55 8.46 8.71 2q2bB1 SER 232 HA -0.05 0.09 0.40 -0.75 4.49 4.18 2q2bB1 SER 232 HB2 -0.03 0.00 0.14 -0.04 3.95 4.02 2q2bB1 SER 232 HB3 -0.02 0.14 -0.19 -0.04 3.93 3.82 2q2bB1 VAL 233 H -0.10 0.28 0.20 -0.55 8.24 8.06 2q2bB1 VAL 233 HA -0.30 0.19 1.05 -0.75 4.13 4.31 2q2bB1 VAL 233 HB -0.30 -0.03 0.01 -0.04 2.12 1.76 2q2bB1 VAL 233 HG13 -1.21 0.01 -0.08 -0.04 0.97 -0.36 2q2bB1 VAL 233 HG23 -0.27 0.01 -0.17 -0.04 0.95 0.47 2q2bB1 ASP 234 H -0.13 0.85 0.35 -0.55 8.40 8.93 2q2bB1 ASP 234 HA -0.06 0.17 0.98 -0.75 4.63 4.97 2q2bB1 ASP 234 HB2 0.06 0.03 0.04 -0.04 2.71 2.79 2q2bB1 ASP 234 HB3 0.03 -0.01 0.06 -0.04 2.70 2.73 2q2bB1 ALA 235 H -0.02 0.17 0.13 -0.55 8.40 8.14 2q2bB1 ALA 235 HA -0.03 0.07 0.30 -0.75 4.34 3.93 2q2bB1 ALA 235 HB3 0.07 0.02 -0.03 -0.04 1.41 1.43 2q2bB1 ILE 236 H -0.11 0.01 -0.25 -0.55 8.25 7.35 2q2bB1 ILE 236 HA -0.26 0.26 0.90 -0.75 4.18 4.32 2q2bB1 ILE 236 HB -0.11 -0.05 0.06 -0.04 1.89 1.75 2q2bB1 ILE 236 HG12 -0.26 0.06 -0.10 -0.04 1.49 1.16 2q2bB1 ILE 236 HG13 -0.16 -0.04 -0.14 -0.04 1.21 0.83 2q2bB1 ILE 236 HG23 -0.49 -0.01 -0.17 -0.04 0.93 0.21 2q2bB1 ILE 236 HD13 -0.13 -0.01 -0.09 -0.04 0.88 0.61 2q2bB1 ASN 237 H -0.35 0.84 0.41 -0.55 8.53 8.88 2q2bB1 ASN 237 HA -0.21 0.13 0.91 -0.75 4.76 4.83 2q2bB1 ASN 237 HB2 -0.44 -0.03 0.15 -0.04 2.88 2.51 2q2bB1 ASN 237 HB3 -0.39 0.02 -0.06 -0.04 2.79 2.33 2q2bB1 ASN 237 HD21 0.00 -0.04 -0.05 -0.04 7.03 6.90 2q2bB1 ASN 237 HD22 0.01 -0.03 -0.03 -0.04 7.74 7.65 2q2bB1 PHE 238 H -0.00 0.20 0.05 -0.55 8.34 8.03 2q2bB1 PHE 238 HA -0.13 0.19 1.00 -0.75 4.62 4.92 2q2bB1 PHE 238 HB2 -0.05 -0.03 0.15 -0.04 3.15 3.17 2q2bB1 PHE 238 HB3 -0.04 0.06 0.01 -0.04 3.06 3.05 2q2bB1 PHE 238 HD2 -0.04 0.09 -0.04 -0.04 7.28 7.25 2q2bB1 PHE 238 HE2 -0.02 -0.00 -0.08 -0.04 7.38 7.24 2q2bB1 PHE 238 HZ -0.00 -0.01 -0.10 -0.04 7.32 7.17 2q2bB1 HIS 239 H -0.05 0.45 0.07 -0.55 8.41 8.33 2q2bB1 HIS 239 HA 0.04 0.01 0.39 -0.75 4.63 4.32 2q2bB1 HIS 239 HB2 0.05 0.11 -0.10 -0.04 3.26 3.29 2q2bB1 HIS 239 HB3 0.04 -0.01 -0.04 -0.04 3.20 3.15 2q2bB1 HIS 239 HD2 -0.03 -0.05 -0.40 -0.04 6.97 6.44 2q2bB1 HIS 239 HE1 -0.03 -0.01 -0.07 -0.04 7.75 7.59 2q2bB1 ASP 240 H 0.21 0.29 0.20 -0.55 8.40 8.55 2q2bB1 ASP 240 HA 0.05 0.05 -0.35 -0.75 4.63 3.63 2q2bB1 ASP 240 HB2 -0.05 -0.16 0.22 -0.04 2.71 2.68 2q2bB1 ASP 240 HB3 0.01 0.26 0.51 -0.04 2.70 3.44 2q2bB1 LYS 241 H -0.13 0.10 0.09 -0.55 8.42 7.93 2q2bB1 LYS 241 HA -0.11 0.02 0.20 -0.75 4.32 3.68 2q2bB1 LYS 241 HB2 -0.91 0.05 -0.05 -0.04 1.87 0.92 2q2bB1 LYS 241 HB3 -0.56 -0.01 0.06 -0.04 1.79 1.23 2q2bB1 LYS 241 HG2 -0.33 0.01 0.07 -0.04 1.46 1.16 2q2bB1 LYS 241 HG3 -0.95 0.05 -0.01 -0.04 1.46 0.50 2q2bB1 LYS 241 HD2 -0.27 0.01 0.02 -0.04 1.69 1.42 2q2bB1 LYS 241 HD3 -0.18 -0.09 0.10 -0.04 1.68 1.47 2q2bB1 LYS 241 HE2 -0.08 0.03 0.05 -0.04 2.99 2.94 2q2bB1 LYS 241 HE3 -0.14 -0.00 0.07 -0.04 2.99 2.88 2q2bB1 ILE 242 H -0.04 0.15 0.16 -0.55 8.25 7.97 2q2bB1 ILE 242 HA 0.13 0.17 0.82 -0.75 4.18 4.54 2q2bB1 ILE 242 HB 0.04 -0.08 0.13 -0.04 1.89 1.95 2q2bB1 ILE 242 HG12 0.06 0.10 -0.13 -0.04 1.49 1.48 2q2bB1 ILE 242 HG13 0.09 0.02 -0.05 -0.04 1.21 1.23 2q2bB1 ILE 242 HG23 0.03 0.01 -0.16 -0.04 0.93 0.76 2q2bB1 ILE 242 HD13 0.05 -0.02 -0.11 -0.04 0.88 0.75 2q2bB1 ARG 243 H 0.13 0.18 0.07 -0.55 8.46 8.29 2q2bB1 ARG 243 HA 0.25 0.23 0.43 -0.75 4.34 4.50 2q2bB1 ARG 243 HB2 0.14 -0.04 0.02 -0.04 1.90 1.97 2q2bB1 ARG 243 HB3 0.14 0.11 0.01 -0.04 1.80 2.02 2q2bB1 ARG 243 HG2 0.41 0.28 0.04 -0.04 1.67 2.37 2q2bB1 ARG 243 HG3 0.10 -0.06 -0.10 -0.04 1.67 1.57 2q2bB1 ARG 243 HD2 0.22 -0.04 -0.01 -0.04 3.22 3.35 2q2bB1 ARG 243 HD3 0.11 -0.02 -0.01 -0.04 3.22 3.26 2q2bB1 LYS 244 H 0.12 0.16 0.02 -0.55 8.42 8.17 2q2bB1 LYS 244 HA 0.06 0.05 0.40 -0.75 4.32 4.08 2q2bB1 LYS 244 HB2 0.04 -0.00 -0.10 -0.04 1.87 1.77 2q2bB1 LYS 244 HB3 0.05 -0.01 0.05 -0.04 1.79 1.84 2q2bB1 LYS 244 HG2 0.05 0.02 -0.18 -0.04 1.46 1.30 2q2bB1 LYS 244 HG3 0.03 -0.02 -0.09 -0.04 1.46 1.34 2q2bB1 LYS 244 HD2 0.05 -0.07 0.17 -0.04 1.69 1.79 2q2bB1 LYS 244 HD3 0.06 0.04 0.09 -0.04 1.68 1.83 2q2bB1 LYS 244 HE2 0.01 -0.02 -0.01 -0.04 2.99 2.94 2q2bB1 LYS 244 HE3 0.01 -0.05 -0.06 -0.04 2.99 2.85 2q2bB1 GLY 245 H 0.04 0.43 0.24 -0.55 8.43 8.59 2q2bB1 GLY 245 HA2 0.03 0.03 0.37 -0.51 4.01 3.92 2q2bB1 GLY 245 HA3 0.04 0.06 0.62 -0.51 4.01 4.21 2q2bB1 CYS 246 H 0.04 0.17 0.02 -0.55 8.50 8.20 2q2bB1 CYS 246 HA 0.03 0.23 0.80 -0.75 4.58 4.88 2q2bB1 CYS 246 HB2 0.04 0.05 0.03 -0.04 2.97 3.05 2q2bB1 CYS 246 HB3 -0.00 -0.07 -0.17 -0.04 2.97 2.69 2q2bB1 VAL 247 H 0.00 0.69 0.23 -0.55 8.24 8.62 2q2bB1 VAL 247 HA 0.02 0.26 1.12 -0.75 4.13 4.77 2q2bB1 VAL 247 HB 0.01 -0.01 -0.08 -0.04 2.12 2.00 2q2bB1 VAL 247 HG13 0.01 0.02 -0.08 -0.04 0.97 0.88 2q2bB1 VAL 247 HG23 -0.01 0.00 -0.12 -0.04 0.95 0.78 2q2bB1 ILE 248 H 0.03 0.60 0.27 -0.55 8.25 8.60 2q2bB1 ILE 248 HA -0.04 0.41 1.27 -0.75 4.18 5.06 2q2bB1 ILE 248 HB -0.03 0.04 -0.02 -0.04 1.89 1.83 2q2bB1 ILE 248 HG12 0.02 0.05 0.02 -0.04 1.49 1.54 2q2bB1 ILE 248 HG13 0.02 -0.10 0.07 -0.04 1.21 1.16 2q2bB1 ILE 248 HG23 -0.04 -0.01 -0.17 -0.04 0.93 0.67 2q2bB1 ILE 248 HD13 -0.03 -0.01 -0.11 -0.04 0.88 0.69 2q2bB1 THR 249 H -0.04 0.46 0.30 -0.55 8.28 8.45 2q2bB1 THR 249 HA 0.00 0.23 0.96 -0.75 4.39 4.83 2q2bB1 THR 249 HB -0.03 -0.08 0.21 -0.04 4.32 4.37 2q2bB1 THR 249 HG23 -0.02 -0.00 -0.15 -0.04 1.22 1.01 2q2bB1 ILE 250 H 0.00 0.85 0.32 -0.55 8.25 8.87 2q2bB1 ILE 250 HA -0.04 0.26 1.05 -0.75 4.18 4.69 2q2bB1 ILE 250 HB -0.04 -0.09 0.20 -0.04 1.89 1.92 2q2bB1 ILE 250 HG12 -0.07 -0.03 -0.18 -0.04 1.49 1.18 2q2bB1 ILE 250 HG13 -0.04 -0.01 -0.31 -0.04 1.21 0.81 2q2bB1 ILE 250 HG23 -0.06 0.01 -0.20 -0.04 0.93 0.64 2q2bB1 ILE 250 HD13 -0.05 0.04 -0.14 -0.04 0.88 0.70 2q2bB1 SER 251 H -0.03 0.72 0.34 -0.55 8.46 8.94 2q2bB1 SER 251 HA -0.03 0.25 1.19 -0.75 4.49 5.13 2q2bB1 SER 251 HB2 -0.03 -0.05 0.12 -0.04 3.95 3.95 2q2bB1 SER 251 HB3 -0.02 0.03 -0.01 -0.04 3.93 3.89 2q2bB1 GLY 252 H -0.04 0.88 0.46 -0.55 8.43 9.18 2q2bB1 GLY 252 HA2 -0.03 0.37 1.13 -0.51 4.01 4.97 2q2bB1 GLY 252 HA3 -0.06 -0.04 0.22 -0.51 4.01 3.62 2q2bB1 ARG 253 H 0.00 0.62 0.34 -0.55 8.46 8.87 2q2bB1 ARG 253 HA -0.00 0.16 0.82 -0.75 4.34 4.56 2q2bB1 ARG 253 HB2 0.03 0.09 0.02 -0.04 1.90 2.00 2q2bB1 ARG 253 HB3 0.01 0.02 0.03 -0.04 1.80 1.82 2q2bB1 ARG 253 HG2 0.01 -0.02 -0.10 -0.04 1.67 1.53 2q2bB1 ARG 253 HG3 0.03 0.06 0.14 -0.04 1.67 1.85 2q2bB1 ARG 253 HD2 0.06 -0.05 -0.06 -0.04 3.22 3.12 2q2bB1 ARG 253 HD3 0.05 0.12 -0.11 -0.04 3.22 3.23 2q2bB1 MET 254 H -0.01 0.18 0.10 -0.55 8.47 8.20 2q2bB1 MET 254 HA -0.02 0.13 0.84 -0.75 4.52 4.72 2q2bB1 MET 254 HB2 -0.09 0.05 0.04 -0.04 2.15 2.11 2q2bB1 MET 254 HB3 -0.08 -0.04 -0.06 -0.04 2.03 1.82 2q2bB1 MET 254 HG2 -0.21 -0.07 -0.11 -0.04 2.63 2.21 2q2bB1 MET 254 HG3 -0.12 0.20 0.11 -0.04 2.56 2.71 2q2bB1 MET 254 HE3 -0.12 0.02 -0.19 -0.04 2.10 1.76 2q2bB1 THR 255 H 0.01 0.58 0.32 -0.55 8.28 8.64 2q2bB1 THR 255 HA 0.06 0.19 0.98 -0.75 4.39 4.86 2q2bB1 THR 255 HB 0.05 0.04 -0.08 -0.04 4.32 4.28 2q2bB1 THR 255 HG23 0.18 -0.01 -0.12 -0.04 1.22 1.23 2q2bB1 PHE 256 H -0.08 0.33 0.27 -0.55 8.34 8.31 2q2bB1 PHE 256 HA -0.91 0.15 0.69 -0.75 4.62 3.80 2q2bB1 PHE 256 HB2 -0.75 0.16 -0.04 -0.04 3.15 2.48 2q2bB1 PHE 256 HB3 -0.35 -0.12 -0.12 -0.04 3.06 2.43 2q2bB1 PHE 256 HD2 -1.24 -0.02 -0.10 -0.04 7.28 5.88 2q2bB1 PHE 256 HE2 -0.27 -0.02 -0.09 -0.04 7.38 6.96 2q2bB1 PHE 256 HZ -0.40 -0.04 -0.06 -0.04 7.32 6.78 2q2bB1 THR 257 H -1.00 0.26 0.20 -0.55 8.28 7.20 2q2bB1 THR 257 HA -0.63 0.14 1.03 -0.75 4.39 4.17 2q2bB1 THR 257 HB -0.24 0.29 0.03 -0.04 4.32 4.36 2q2bB1 THR 257 HG23 -0.24 0.00 -0.12 -0.04 1.22 0.82 2q2bB1 SER 258 H -0.64 0.37 0.10 -0.55 8.46 7.74 2q2bB1 SER 258 HA -0.49 0.14 0.74 -0.75 4.49 4.13 2q2bB1 SER 258 HB2 -0.61 -0.02 0.18 -0.04 3.95 3.46 2q2bB1 SER 258 HB3 -0.95 0.03 0.05 -0.04 3.93 3.02 2q2bB1 ASN 259 H -0.08 0.09 0.15 -0.55 8.53 8.14 2q2bB1 ASN 259 HA -0.05 0.21 0.59 -0.75 4.76 4.76 2q2bB1 ASN 259 HB2 0.01 -0.01 0.15 -0.04 2.88 3.00 2q2bB1 ASN 259 HB3 0.02 -0.04 0.15 -0.04 2.79 2.88 2q2bB1 ASN 259 HD21 0.01 0.00 -0.01 -0.04 7.03 6.99 2q2bB1 ASN 259 HD22 0.02 -0.01 -0.02 -0.04 7.74 7.69 2q2bB1 LYS 260 H 0.00 -0.01 0.03 -0.55 8.42 7.89 2q2bB1 LYS 260 HA 0.00 0.27 0.88 -0.75 4.32 4.72 2q2bB1 LYS 260 HB2 0.05 -0.09 0.03 -0.04 1.87 1.82 2q2bB1 LYS 260 HB3 0.03 0.08 0.04 -0.04 1.79 1.91 2q2bB1 LYS 260 HG2 0.02 0.12 -0.27 -0.04 1.46 1.30 2q2bB1 LYS 260 HG3 0.03 -0.15 -0.13 -0.04 1.46 1.16 2q2bB1 LYS 260 HD2 0.04 -0.09 -0.02 -0.04 1.69 1.57 2q2bB1 LYS 260 HD3 0.03 0.06 -0.03 -0.04 1.68 1.70 2q2bB1 LYS 260 HE2 0.02 0.03 -0.09 -0.04 2.99 2.91 2q2bB1 LYS 260 HE3 0.02 -0.10 -0.03 -0.04 2.99 2.84 2q2bB1 SER 261 H -0.08 -0.07 -0.21 -0.55 8.46 7.56 2q2bB1 SER 261 HA 0.02 0.39 1.09 -0.75 4.49 5.24 2q2bB1 SER 261 HB2 0.07 0.10 0.03 -0.04 3.95 4.11 2q2bB1 SER 261 HB3 0.08 -0.04 -0.16 -0.04 3.93 3.77 2q2bB1 MET 262 H 0.04 0.63 0.34 -0.55 8.47 8.93 2q2bB1 MET 262 HA -0.19 0.20 1.09 -0.75 4.52 4.87 2q2bB1 MET 262 HB2 0.04 -0.12 0.04 -0.04 2.15 2.07 2q2bB1 MET 262 HB3 -0.11 0.05 -0.01 -0.04 2.03 1.92 2q2bB1 MET 262 HG2 -0.12 0.10 -0.13 -0.04 2.63 2.44 2q2bB1 MET 262 HG3 -0.02 -0.05 -0.47 -0.04 2.56 1.99 2q2bB1 MET 262 HE3 0.10 -0.01 -0.30 -0.04 2.10 1.85 2q2bB1 GLU 263 H -0.09 0.80 0.40 -0.55 8.60 9.16 2q2bB1 GLU 263 HA 0.13 0.36 1.18 -0.75 4.29 5.21 2q2bB1 GLU 263 HB2 0.15 0.00 -0.02 -0.04 2.09 2.18 2q2bB1 GLU 263 HB3 0.08 -0.12 0.09 -0.04 1.99 2.00 2q2bB1 GLU 263 HG2 0.21 -0.05 -0.10 -0.04 2.34 2.36 2q2bB1 GLU 263 HG3 0.10 0.02 -0.15 -0.04 2.34 2.28 2q2bB1 ILE 264 H 0.23 0.49 0.27 -0.55 8.25 8.69 2q2bB1 ILE 264 HA 0.08 0.14 0.98 -0.75 4.18 4.62 2q2bB1 ILE 264 HB 0.16 0.00 0.09 -0.04 1.89 2.10 2q2bB1 ILE 264 HG12 -0.05 0.01 -0.24 -0.04 1.49 1.17 2q2bB1 ILE 264 HG13 0.02 -0.08 -0.81 -0.04 1.21 0.30 2q2bB1 ILE 264 HG23 -0.03 -0.01 -0.30 -0.04 0.93 0.55 2q2bB1 ILE 264 HD13 -0.09 0.03 -0.17 -0.04 0.88 0.61 2q2bB1 GLU 265 H 0.14 0.46 0.30 -0.55 8.60 8.96 2q2bB1 GLU 265 HA 0.04 0.22 1.05 -0.75 4.29 4.84 2q2bB1 GLU 265 HB2 0.29 -0.05 0.10 -0.04 2.09 2.39 2q2bB1 GLU 265 HB3 0.07 -0.02 0.16 -0.04 1.99 2.16 2q2bB1 GLU 265 HG2 -0.14 0.02 -0.24 -0.04 2.34 1.93 2q2bB1 GLU 265 HG3 -0.58 0.05 0.03 -0.04 2.34 1.80 2q2bB1 VAL 266 H -0.02 0.64 0.42 -0.55 8.24 8.73 2q2bB1 VAL 266 HA -0.03 0.41 1.24 -0.75 4.13 4.99 2q2bB1 VAL 266 HB 0.12 -0.09 0.09 -0.04 2.12 2.20 2q2bB1 VAL 266 HG13 -0.05 -0.01 -0.22 -0.04 0.97 0.66 2q2bB1 VAL 266 HG23 -0.11 0.03 -0.22 -0.04 0.95 0.60 2q2bB1 LEU 267 H -0.04 0.83 0.41 -0.55 8.37 9.03 2q2bB1 LEU 267 HA -0.05 0.20 1.16 -0.75 4.35 4.91 2q2bB1 LEU 267 HB2 -0.03 -0.04 0.12 -0.04 1.64 1.65 2q2bB1 LEU 267 HB3 -0.03 0.01 0.06 -0.04 1.64 1.64 2q2bB1 LEU 267 HG -0.05 -0.01 -0.20 -0.04 1.64 1.34 2q2bB1 LEU 267 HD13 -0.02 -0.01 -0.05 -0.04 0.93 0.80 2q2bB1 LEU 267 HD23 -0.07 0.02 -0.06 -0.04 0.89 0.74 2q2bB1 VAL 268 H -0.03 0.71 0.44 -0.55 8.24 8.81 2q2bB1 VAL 268 HA -0.04 0.40 1.28 -0.75 4.13 5.02 2q2bB1 VAL 268 HB -0.03 -0.13 0.19 -0.04 2.12 2.11 2q2bB1 VAL 268 HG13 -0.03 -0.00 -0.18 -0.04 0.97 0.72 2q2bB1 VAL 268 HG23 -0.03 0.00 -0.20 -0.04 0.95 0.68 2q2bB1 ASP 269 H -0.06 0.71 0.43 -0.55 8.40 8.94 2q2bB1 ASP 269 HA -0.13 0.17 1.10 -0.75 4.63 5.02 2q2bB1 ASP 269 HB2 -0.06 -0.02 0.19 -0.04 2.71 2.78 2q2bB1 ASP 269 HB3 -0.08 0.05 -0.01 -0.04 2.70 2.62 2q2bB1 ALA 270 H -0.43 0.87 0.43 -0.55 8.40 8.73 2q2bB1 ALA 270 HA -0.18 0.20 1.07 -0.75 4.34 4.68 2q2bB1 ALA 270 HB3 -0.66 -0.00 0.00 -0.04 1.41 0.71 2q2bB1 ASP 271 H -0.07 0.37 0.15 -0.55 8.40 8.30 2q2bB1 ASP 271 HA -0.01 0.20 0.88 -0.75 4.63 4.95 2q2bB1 ASP 271 HB2 -0.04 -0.04 -0.05 -0.04 2.71 2.54 2q2bB1 ASP 271 HB3 -0.01 -0.10 0.19 -0.04 2.70 2.74 2q2bB1 PRO 272 HA 0.05 0.10 0.70 -0.51 4.44 4.78 2q2bB1 PRO 272 HB2 0.06 0.07 -0.10 -0.04 2.28 2.28 2q2bB1 PRO 272 HB3 0.07 0.04 0.08 -0.04 2.02 2.17 2q2bB1 PRO 272 HG2 0.14 0.12 -0.05 -0.04 2.03 2.19 2q2bB1 PRO 272 HG3 0.18 -0.04 -0.03 -0.04 2.03 2.11 2q2bB1 PRO 272 HD2 0.10 0.12 -0.13 -0.04 3.68 3.73 2q2bB1 PRO 272 HD3 0.14 0.15 -0.16 -0.04 3.65 3.74 2q2bB1 VAL 273 H 0.03 0.36 0.32 -0.55 8.24 8.40 2q2bB1 VAL 273 HA 0.02 0.12 0.63 -0.75 4.13 4.14 2q2bB1 VAL 273 HB 0.01 -0.04 0.06 -0.04 2.12 2.11 2q2bB1 VAL 273 HG13 0.02 0.06 -0.02 -0.04 0.97 0.99 2q2bB1 VAL 273 HG23 0.02 0.01 0.05 -0.04 0.95 0.99 2q2bB1 VAL 274 H 0.03 0.11 0.13 -0.55 8.24 7.96 2q2bB1 VAL 274 HA 0.02 0.13 0.83 -0.75 4.13 4.36 2q2bB1 VAL 274 HB 0.02 -0.02 0.07 -0.04 2.12 2.15 2q2bB1 VAL 274 HG13 0.02 0.00 -0.01 -0.04 0.97 0.93 2q2bB1 VAL 274 HG23 0.02 0.01 -0.01 -0.04 0.95 0.93 2q2bB1 ASP 275 H 0.02 0.11 0.02 -0.55 8.40 8.00 2q2bB1 ASP 275 HA 0.02 0.02 0.17 -0.75 4.63 4.08 2q2bB1 ASP 275 HB2 0.02 -0.06 -0.15 -0.04 2.71 2.48 2q2bB1 ASP 275 HB3 0.03 0.14 0.22 -0.04 2.70 3.04 2q2bB1 LYS 279 HA 0.05 -0.06 0.29 -0.75 4.32 3.85 2q2bB1 LYS 279 HB2 0.04 0.11 6.73 -0.04 1.87 8.71 2q2bB1 LYS 279 HB3 0.08 -0.01 -0.86 -0.04 1.79 0.96 2q2bB1 LYS 279 HG2 0.04 -0.05 0.08 -0.04 1.46 1.49 2q2bB1 LYS 279 HG3 0.02 -0.06 0.17 -0.04 1.46 1.55 2q2bB1 LYS 279 HD2 0.03 0.33 0.20 -0.04 1.69 2.21 2q2bB1 LYS 279 HD3 0.03 -0.04 0.05 -0.04 1.68 1.68 2q2bB1 LYS 279 HE2 0.01 -0.03 0.06 -0.04 2.99 2.99 2q2bB1 LYS 279 HE3 0.01 -0.04 0.05 -0.04 2.99 2.97 2q2bB1 ARG 280 H 0.06 0.13 0.17 -0.55 8.46 8.26 2q2bB1 ARG 280 HA 0.08 0.25 0.69 -0.75 4.34 4.61 2q2bB1 ARG 280 HB2 -0.01 -0.00 0.11 -0.04 1.90 1.96 2q2bB1 ARG 280 HB3 0.02 -0.01 0.18 -0.04 1.80 1.95 2q2bB1 ARG 280 HG2 0.02 -0.04 -0.02 -0.04 1.67 1.59 2q2bB1 ARG 280 HG3 0.01 0.01 -0.46 -0.04 1.67 1.18 2q2bB1 ARG 280 HD2 -0.01 -0.01 -0.04 -0.04 3.22 3.12 2q2bB1 ARG 280 HD3 -0.02 -0.06 -0.10 -0.04 3.22 3.01 2q2bB1 TYR 281 H -0.19 0.55 0.42 -0.55 8.29 8.52 2q2bB1 TYR 281 HA -0.01 0.08 0.80 -0.75 4.56 4.68 2q2bB1 TYR 281 HB2 -0.01 -0.03 0.05 -0.04 3.06 3.04 2q2bB1 TYR 281 HB3 -0.00 0.13 -0.23 -0.04 2.98 2.83 2q2bB1 TYR 281 HD2 0.01 0.26 -0.14 -0.04 7.15 7.23 2q2bB1 TYR 281 HE2 0.00 0.04 -0.13 -0.04 6.85 6.72 2q2bB1 ARG 282 H 0.08 0.15 0.17 -0.55 8.46 8.30 2q2bB1 ARG 282 HA -0.04 0.13 0.89 -0.75 4.34 4.55 2q2bB1 ARG 282 HB2 -0.03 -0.01 0.13 -0.04 1.90 1.95 2q2bB1 ARG 282 HB3 -0.04 -0.00 0.16 -0.04 1.80 1.88 2q2bB1 ARG 282 HG2 -0.14 -0.02 -0.04 -0.04 1.67 1.42 2q2bB1 ARG 282 HG3 0.09 -0.02 -0.21 -0.04 1.67 1.50 2q2bB1 ARG 282 HD2 0.00 0.11 0.12 -0.04 3.22 3.41 2q2bB1 ARG 282 HD3 -0.03 -0.03 0.01 -0.04 3.22 3.13 2q2bB1 ALA 283 H -0.02 0.76 0.48 -0.55 8.40 9.07 2q2bB1 ALA 283 HA 0.21 0.13 0.75 -0.75 4.34 4.67 2q2bB1 ALA 283 HB3 -0.06 0.00 -0.06 -0.04 1.41 1.26 2q2bB1 ALA 284 H 0.05 0.34 0.38 -0.55 8.40 8.62 2q2bB1 ALA 284 HA -0.23 0.25 0.92 -0.75 4.34 4.53 2q2bB1 ALA 284 HB3 -0.21 -0.00 -0.04 -0.04 1.41 1.12 2q2bB1 SER 285 H -0.35 0.57 0.44 -0.55 8.46 8.58 2q2bB1 SER 285 HA -0.11 0.30 0.74 -0.75 4.49 4.67 2q2bB1 SER 285 HB2 -0.15 0.02 0.15 -0.04 3.95 3.93 2q2bB1 SER 285 HB3 0.03 -0.00 0.12 -0.04 3.93 4.03 2q2bB1 ALA 286 H -0.18 0.51 0.42 -0.55 8.40 8.60 2q2bB1 ALA 286 HA -0.22 0.38 0.76 -0.75 4.34 4.51 2q2bB1 ALA 286 HB3 -0.11 -0.01 -0.09 -0.04 1.41 1.16 2q2bB1 PHE 287 H -0.03 0.58 0.19 -0.55 8.34 8.53 2q2bB1 PHE 287 HA 0.09 0.22 0.99 -0.75 4.62 5.17 2q2bB1 PHE 287 HB2 -0.02 -0.03 0.10 -0.04 3.15 3.15 2q2bB1 PHE 287 HB3 0.03 -0.00 -0.06 -0.04 3.06 2.99 2q2bB1 PHE 287 HD2 0.02 -0.01 -0.11 -0.04 7.28 7.14 2q2bB1 PHE 287 HE2 0.01 -0.01 -0.07 -0.04 7.38 7.27 2q2bB1 PHE 287 HZ 0.01 -0.01 -0.07 -0.04 7.32 7.21 2q2bB1 PHE 288 H 0.43 0.83 0.32 -0.55 8.34 9.37 2q2bB1 PHE 288 HA 0.10 0.12 1.02 -0.75 4.62 5.10 2q2bB1 PHE 288 HB2 0.16 0.08 0.16 -0.04 3.15 3.50 2q2bB1 PHE 288 HB3 0.30 0.02 -0.09 -0.04 3.06 3.24 2q2bB1 PHE 288 HD2 0.07 0.04 -0.14 -0.04 7.28 7.20 2q2bB1 PHE 288 HE2 0.01 -0.01 -0.14 -0.04 7.38 7.20 2q2bB1 PHE 288 HZ 0.02 0.03 -0.15 -0.04 7.32 7.17 2q2bB1 THR 289 H 0.11 0.64 0.33 -0.55 8.28 8.81 2q2bB1 THR 289 HA 0.18 0.48 1.30 -0.75 4.39 5.60 2q2bB1 THR 289 HB 0.12 -0.02 0.01 -0.04 4.32 4.38 2q2bB1 THR 289 HG23 0.05 -0.04 -0.01 -0.04 1.22 1.19 2q2bB1 TYR 290 H 0.25 0.64 0.32 -0.55 8.29 8.94 2q2bB1 TYR 290 HA 0.07 0.06 1.01 -0.75 4.56 4.94 2q2bB1 TYR 290 HB2 0.03 0.03 -0.01 -0.04 3.06 3.07 2q2bB1 TYR 290 HB3 0.03 0.05 -0.10 -0.04 2.98 2.92 2q2bB1 TYR 290 HD2 0.07 0.00 -0.29 -0.04 7.15 6.90 2q2bB1 TYR 290 HE2 -0.04 -0.00 -0.25 -0.04 6.85 6.52 2q2bB1 VAL 291 H 0.17 0.48 0.27 -0.55 8.24 8.61 2q2bB1 VAL 291 HA 0.07 0.22 0.94 -0.75 4.13 4.61 2q2bB1 VAL 291 HB 0.01 -0.04 -0.09 -0.04 2.12 1.96 2q2bB1 VAL 291 HG13 0.03 0.00 -0.21 -0.04 0.97 0.75 2q2bB1 VAL 291 HG23 0.04 0.03 -0.09 -0.04 0.95 0.89 2q2bB1 SER 292 H 0.05 0.36 0.17 -0.55 8.46 8.50 2q2bB1 SER 292 HA 0.07 0.12 0.72 -0.75 4.49 4.65 2q2bB1 SER 292 HB2 0.06 -0.05 -0.03 -0.04 3.95 3.89 2q2bB1 SER 292 HB3 0.04 0.16 0.03 -0.04 3.93 4.11 2q2bB1 LEU 293 H 0.04 0.44 0.26 -0.55 8.37 8.56 2q2bB1 LEU 293 HA 0.03 0.05 0.94 -0.75 4.35 4.61 2q2bB1 LEU 293 HB2 0.03 -0.03 0.02 -0.04 1.64 1.62 2q2bB1 LEU 293 HB3 0.02 0.23 -0.04 -0.04 1.64 1.81 2q2bB1 LEU 293 HG 0.04 -0.03 -0.19 -0.04 1.64 1.42 2q2bB1 LEU 293 HD13 0.02 -0.02 -0.13 -0.04 0.93 0.77 2q2bB1 LEU 293 HD23 0.02 0.08 -0.20 -0.04 0.89 0.74 2q2bB1 ASN 294 H 0.02 0.40 0.22 -0.55 8.53 8.63 2q2bB1 ASN 294 HA 0.01 0.14 0.72 -0.75 4.76 4.88 2q2bB1 ASN 294 HB2 0.01 -0.17 0.16 -0.04 2.88 2.84 2q2bB1 ASN 294 HB3 0.01 0.06 0.10 -0.04 2.79 2.92 2q2bB1 ASN 294 HD21 0.01 -0.12 -0.11 -0.04 7.03 6.77 2q2bB1 ASN 294 HD22 0.01 0.01 -0.10 -0.04 7.74 7.62 2q2bB1 GLN 295 H 0.01 0.10 0.09 -0.55 8.47 8.13 2q2bB1 GLN 295 HA 0.01 0.19 0.24 -0.75 4.36 4.05 2q2bB1 GLN 295 HB2 0.01 -0.02 0.12 -0.04 2.15 2.22 2q2bB1 GLN 295 HB3 0.01 -0.02 0.05 -0.04 2.02 2.01 2q2bB1 GLN 295 HG2 0.01 -0.01 0.11 -0.04 2.40 2.46 2q2bB1 GLN 295 HG3 0.01 0.05 0.08 -0.04 2.39 2.49 2q2bB1 GLN 295 HE21 0.01 0.00 0.02 -0.04 6.97 6.96 2q2bB1 GLN 295 HE22 0.01 0.02 0.02 -0.04 7.69 7.70 2q2bB1 GLU 296 H 0.01 -0.07 -0.60 -0.55 8.60 7.39 2q2bB1 GLU 296 HA 0.01 0.23 0.82 -0.75 4.29 4.59 2q2bB1 GLU 296 HB2 0.01 -0.15 0.12 -0.04 2.09 2.03 2q2bB1 GLU 296 HB3 0.01 0.02 0.07 -0.04 1.99 2.05 2q2bB1 GLU 296 HG2 0.01 0.00 -0.01 -0.04 2.34 2.30 2q2bB1 GLU 296 HG3 0.01 0.12 -0.13 -0.04 2.34 2.29 2q2bB1 GLY 297 H 0.01 -0.01 -0.01 -0.55 8.43 7.87 2q2bB1 GLY 297 HA2 0.01 0.26 0.84 -0.51 4.01 4.61 2q2bB1 GLY 297 HA3 0.01 -0.06 0.30 -0.51 4.01 3.75 2q2bB1 LYS 298 H 0.01 0.00 0.10 -0.55 8.42 7.99 2q2bB1 LYS 298 HA 0.01 0.07 0.27 -0.75 4.32 3.92 2q2bB1 LYS 298 HB2 0.01 -0.09 0.02 -0.04 1.87 1.77 2q2bB1 LYS 298 HB3 0.01 0.17 0.02 -0.04 1.79 1.95 2q2bB1 LYS 298 HG2 0.01 -0.11 0.12 -0.04 1.46 1.44 2q2bB1 LYS 298 HG3 0.01 0.01 0.04 -0.04 1.46 1.49 2q2bB1 LYS 298 HD2 0.01 0.02 0.04 -0.04 1.69 1.72 2q2bB1 LYS 298 HD3 0.01 0.09 0.08 -0.04 1.68 1.82 2q2bB1 LYS 298 HE2 0.01 -0.02 0.03 -0.04 2.99 2.96 2q2bB1 LYS 298 HE3 0.01 0.03 0.01 -0.04 2.99 2.99 2q2bB1 PRO 299 HA 0.02 0.12 0.81 -0.51 4.44 4.88 2q2bB1 PRO 299 HB2 0.03 0.16 0.05 -0.04 2.28 2.47 2q2bB1 PRO 299 HB3 0.03 -0.03 0.00 -0.04 2.02 1.97 2q2bB1 PRO 299 HG2 0.02 -0.02 0.12 -0.04 2.03 2.11 2q2bB1 PRO 299 HG3 0.02 -0.00 0.04 -0.04 2.03 2.06 2q2bB1 PRO 299 HD2 0.02 -0.00 0.20 -0.04 3.68 3.86 2q2bB1 PRO 299 HD3 0.02 0.11 0.09 -0.04 3.65 3.83 2q2bB1 MET 300 H 0.02 0.23 0.33 -0.55 8.47 8.50 2q2bB1 MET 300 HA 0.01 -0.00 0.53 -0.75 4.52 4.30 2q2bB1 MET 300 HB2 0.01 0.22 -0.06 -0.04 2.15 2.28 2q2bB1 MET 300 HB3 0.01 -0.12 0.07 -0.04 2.03 1.96 2q2bB1 MET 300 HG2 0.02 -0.10 -0.15 -0.04 2.63 2.36 2q2bB1 MET 300 HG3 0.02 0.03 -0.39 -0.04 2.56 2.18 2q2bB1 MET 300 HE3 0.01 0.01 -0.03 -0.04 2.10 2.04 2q2bB1 PRO 301 HA 0.01 0.08 0.52 -0.51 4.44 4.54 2q2bB1 PRO 301 HB2 0.00 0.07 -0.06 -0.04 2.28 2.25 2q2bB1 PRO 301 HB3 0.01 -0.05 0.07 -0.04 2.02 2.01 2q2bB1 PRO 301 HG2 0.00 0.04 0.02 -0.04 2.03 2.05 2q2bB1 PRO 301 HG3 0.00 -0.02 0.05 -0.04 2.03 2.03 2q2bB1 PRO 301 HD2 0.01 0.03 0.21 -0.04 3.68 3.89 2q2bB1 PRO 301 HD3 0.01 0.09 0.15 -0.04 3.65 3.86 2q2bB1 VAL 302 H -0.01 0.73 0.35 -0.55 8.24 8.77 2q2bB1 VAL 302 HA 0.02 0.17 0.80 -0.75 4.13 4.37 2q2bB1 VAL 302 HB -0.02 0.02 -0.22 -0.04 2.12 1.86 2q2bB1 VAL 302 HG13 0.02 -0.00 -0.33 -0.04 0.97 0.62 2q2bB1 VAL 302 HG23 0.04 -0.01 -0.24 -0.04 0.95 0.70 2q2bB1 PRO 303 HA -0.03 -0.07 0.50 -0.51 4.44 4.34 2q2bB1 PRO 303 HB2 -0.31 0.06 0.02 -0.04 2.28 2.01 2q2bB1 PRO 303 HB3 -0.14 -0.00 0.09 -0.04 2.02 1.92 2q2bB1 PRO 303 HG2 -0.13 0.11 0.14 -0.04 2.03 2.11 2q2bB1 PRO 303 HG3 -0.06 0.00 0.09 -0.04 2.03 2.02 2q2bB1 PRO 303 HD2 0.04 0.04 0.14 -0.04 3.68 3.86 2q2bB1 PRO 303 HD3 -0.00 0.23 0.23 -0.04 3.65 4.06 2q2bB1 GLN 304 H -0.00 0.01 0.18 -0.55 8.47 8.11 2q2bB1 GLN 304 HA 0.03 0.11 0.30 -0.75 4.36 4.05 2q2bB1 GLN 304 HB2 0.01 -0.06 0.13 -0.04 2.15 2.19 2q2bB1 GLN 304 HB3 0.03 0.01 -0.09 -0.04 2.02 1.94 2q2bB1 GLN 304 HG2 0.00 -0.01 0.05 -0.04 2.40 2.41 2q2bB1 GLN 304 HG3 0.02 -0.05 0.02 -0.04 2.39 2.35 2q2bB1 GLN 304 HE21 -0.01 0.23 0.10 -0.04 6.97 7.25 2q2bB1 GLN 304 HE22 0.09 -0.05 0.07 -0.04 7.69 7.76 2q2bB1 LEU 305 H 0.10 0.12 0.17 -0.55 8.37 8.21 2q2bB1 LEU 305 HA 0.17 0.41 0.92 -0.75 4.35 5.10 2q2bB1 LEU 305 HB2 -0.02 0.07 -0.14 -0.04 1.64 1.51 2q2bB1 LEU 305 HB3 0.08 -0.13 0.04 -0.04 1.64 1.58 2q2bB1 LEU 305 HG 0.15 0.03 -0.51 -0.04 1.64 1.27 2q2bB1 LEU 305 HD13 0.04 0.01 -0.39 -0.04 0.93 0.55 2q2bB1 LEU 305 HD23 0.08 -0.03 -0.42 -0.04 0.89 0.48 2q2bB1 VAL 306 H 0.08 0.59 0.20 -0.55 8.24 8.56 2q2bB1 VAL 306 HA 0.02 0.20 1.02 -0.75 4.13 4.61 2q2bB1 VAL 306 HB 0.01 -0.02 -0.04 -0.04 2.12 2.02 2q2bB1 VAL 306 HG13 0.01 0.01 0.03 -0.04 0.97 0.98 2q2bB1 VAL 306 HG23 -0.01 0.02 -0.03 -0.04 0.95 0.88 2q2bB1 PRO 307 HA 0.08 -0.04 0.62 -0.51 4.44 4.59 2q2bB1 PRO 307 HB2 0.00 0.01 -0.18 -0.04 2.28 2.08 2q2bB1 PRO 307 HB3 0.10 -0.10 -0.30 -0.04 2.02 1.68 2q2bB1 PRO 307 HG2 -0.16 0.02 0.04 -0.04 2.03 1.89 2q2bB1 PRO 307 HG3 0.37 0.11 -0.03 -0.04 2.03 2.44 2q2bB1 PRO 307 HD2 -0.13 0.07 0.23 -0.04 3.68 3.81 2q2bB1 PRO 307 HD3 0.07 0.45 0.15 -0.04 3.65 4.28 2q2bB1 GLU 308 H 0.04 -0.12 0.19 -0.55 8.60 8.16 2q2bB1 GLU 308 HA 0.01 0.26 0.88 -0.75 4.29 4.67 2q2bB1 GLU 308 HB2 0.03 -0.13 0.10 -0.04 2.09 2.04 2q2bB1 GLU 308 HB3 0.01 0.01 -0.00 -0.04 1.99 1.97 2q2bB1 GLU 308 HG2 0.01 0.08 -0.10 -0.04 2.34 2.29 2q2bB1 GLU 308 HG3 0.02 0.09 -0.57 -0.04 2.34 1.84 2q2bB1 THR 309 H 0.03 -0.01 0.21 -0.55 8.28 7.96 2q2bB1 THR 309 HA 0.01 0.26 0.79 -0.75 4.39 4.70 2q2bB1 THR 309 HB 0.02 0.14 0.15 -0.04 4.32 4.58 2q2bB1 THR 309 HG23 0.03 -0.10 0.08 -0.04 1.22 1.19 2q2bB1 GLU 310 H 0.01 0.21 0.19 -0.55 8.60 8.47 2q2bB1 GLU 310 HA 0.01 0.17 0.42 -0.75 4.29 4.14 2q2bB1 GLU 310 HB2 0.01 -0.02 0.19 -0.04 2.09 2.23 2q2bB1 GLU 310 HB3 0.01 0.05 -0.00 -0.04 1.99 2.01 2q2bB1 GLU 310 HG2 0.01 0.04 0.06 -0.04 2.34 2.40 2q2bB1 GLU 310 HG3 0.01 0.03 0.07 -0.04 2.34 2.41 2q2bB1 ASP 311 H 0.02 0.10 -0.03 -0.55 8.40 7.95 2q2bB1 ASP 311 HA 0.03 0.10 0.44 -0.75 4.63 4.45 2q2bB1 ASP 311 HB2 0.03 -0.04 0.07 -0.04 2.71 2.73 2q2bB1 ASP 311 HB3 0.04 0.08 0.01 -0.04 2.70 2.78 2q2bB1 GLU 312 H 0.04 -0.00 -0.33 -0.55 8.60 7.77 2q2bB1 GLU 312 HA 0.08 0.13 0.53 -0.75 4.29 4.28 2q2bB1 GLU 312 HB2 0.05 -0.05 0.18 -0.04 2.09 2.22 2q2bB1 GLU 312 HB3 0.09 0.06 0.06 -0.04 1.99 2.16 2q2bB1 GLU 312 HG2 0.07 0.16 0.09 -0.04 2.34 2.62 2q2bB1 GLU 312 HG3 0.05 -0.02 0.05 -0.04 2.34 2.38 2q2bB1 LYS 313 H 0.04 0.38 -0.21 -0.55 8.42 8.08 2q2bB1 LYS 313 HA 0.04 0.07 0.47 -0.75 4.32 4.14 2q2bB1 LYS 313 HB2 -0.00 0.03 0.04 -0.04 1.87 1.90 2q2bB1 LYS 313 HB3 0.02 0.13 0.23 -0.04 1.79 2.13 2q2bB1 LYS 313 HG2 -0.00 -0.03 -0.03 -0.04 1.46 1.36 2q2bB1 LYS 313 HG3 0.01 -0.03 -0.20 -0.04 1.46 1.20 2q2bB1 LYS 313 HD2 -0.07 0.01 0.02 -0.04 1.69 1.60 2q2bB1 LYS 313 HD3 -0.04 0.03 -0.02 -0.04 1.68 1.61 2q2bB1 LYS 313 HE2 -0.03 0.01 -0.01 -0.04 2.99 2.91 2q2bB1 LYS 313 HE3 -0.02 -0.02 -0.02 -0.04 2.99 2.88 2q2bB1 LYS 314 H 0.04 0.61 -0.01 -0.55 8.42 8.50 2q2bB1 LYS 314 HA 0.04 -0.00 0.36 -0.75 4.32 3.96 2q2bB1 LYS 314 HB2 0.03 0.03 0.18 -0.04 1.87 2.07 2q2bB1 LYS 314 HB3 0.05 0.08 0.22 -0.04 1.79 2.10 2q2bB1 LYS 314 HG2 0.03 -0.02 -0.05 -0.04 1.46 1.38 2q2bB1 LYS 314 HG3 0.02 -0.01 0.04 -0.04 1.46 1.47 2q2bB1 LYS 314 HD2 0.02 0.00 -0.00 -0.04 1.69 1.67 2q2bB1 LYS 314 HD3 0.03 -0.04 0.02 -0.04 1.68 1.64 2q2bB1 LYS 314 HE2 0.04 0.01 -0.04 -0.04 2.99 2.95 2q2bB1 LYS 314 HE3 0.03 0.01 -0.01 -0.04 2.99 2.97 2q2bB1 ARG 315 H 0.07 0.64 -0.03 -0.55 8.46 8.59 2q2bB1 ARG 315 HA 0.05 -0.07 0.21 -0.75 4.34 3.78 2q2bB1 ARG 315 HB2 0.10 0.10 0.17 -0.04 1.90 2.22 2q2bB1 ARG 315 HB3 0.09 -0.05 0.06 -0.04 1.80 1.86 2q2bB1 ARG 315 HG2 0.08 -0.07 0.04 -0.04 1.67 1.68 2q2bB1 ARG 315 HG3 0.07 0.21 0.10 -0.04 1.67 2.01 2q2bB1 ARG 315 HD2 0.12 -0.01 -0.02 -0.04 3.22 3.27 2q2bB1 ARG 315 HD3 0.07 -0.04 -0.03 -0.04 3.22 3.18 2q2bB1 PHE 316 H 0.22 0.42 -0.46 -0.55 8.34 7.96 2q2bB1 PHE 316 HA 0.08 0.12 0.46 -0.75 4.62 4.52 2q2bB1 PHE 316 HB2 0.06 0.12 0.23 -0.04 3.15 3.52 2q2bB1 PHE 316 HB3 0.04 0.06 0.21 -0.04 3.06 3.33 2q2bB1 PHE 316 HD2 0.07 -0.00 -0.18 -0.04 7.28 7.13 2q2bB1 PHE 316 HE2 0.20 0.08 0.10 -0.04 7.38 7.72 2q2bB1 PHE 316 HZ 0.11 0.08 0.14 -0.04 7.32 7.61 2q2bB1 GLU 317 H 0.16 0.61 0.09 -0.55 8.60 8.92 2q2bB1 GLU 317 HA 0.09 -0.00 0.50 -0.75 4.29 4.12 2q2bB1 GLU 317 HB2 0.05 0.20 0.27 -0.04 2.09 2.57 2q2bB1 GLU 317 HB3 0.00 -0.06 0.08 -0.04 1.99 1.98 2q2bB1 GLU 317 HG2 0.01 -0.03 0.03 -0.04 2.34 2.31 2q2bB1 GLU 317 HG3 0.01 -0.03 0.05 -0.04 2.34 2.33 2q2bB1 GLU 318 H -0.01 0.40 -0.06 -0.55 8.60 8.38 2q2bB1 GLU 318 HA -0.09 -0.03 0.25 -0.75 4.29 3.66 2q2bB1 GLU 318 HB2 -0.05 0.13 0.03 -0.04 2.09 2.15 2q2bB1 GLU 318 HB3 -0.10 -0.03 -0.03 -0.04 1.99 1.79 2q2bB1 GLU 318 HG2 -0.02 -0.02 0.00 -0.04 2.34 2.26 2q2bB1 GLU 318 HG3 -0.01 0.03 0.01 -0.04 2.34 2.33 2q2bB1 GLY 319 H -0.16 0.63 -0.36 -0.55 8.43 8.00 2q2bB1 GLY 319 HA2 -0.34 -0.07 0.42 -0.51 4.01 3.51 2q2bB1 GLY 319 HA3 -0.31 0.06 0.22 -0.51 4.01 3.47 2q2bB1 LYS 320 H -0.77 0.84 0.15 -0.55 8.42 8.09 2q2bB1 LYS 320 HA -1.55 -0.08 0.42 -0.75 4.32 2.36 2q2bB1 LYS 320 HB2 -0.20 0.27 0.39 -0.04 1.87 2.29 2q2bB1 LYS 320 HB3 -0.17 -0.06 0.06 -0.04 1.79 1.58 2q2bB1 LYS 320 HG2 -0.11 -0.07 0.06 -0.04 1.46 1.30 2q2bB1 LYS 320 HG3 0.23 0.01 0.06 -0.04 1.46 1.73 2q2bB1 LYS 320 HD2 -0.00 -0.01 -0.03 -0.04 1.69 1.61 2q2bB1 LYS 320 HD3 0.06 -0.04 -0.02 -0.04 1.68 1.65 2q2bB1 LYS 320 HE2 0.13 0.01 0.01 -0.04 2.99 3.09 2q2bB1 LYS 320 HE3 0.05 -0.04 0.00 -0.04 2.99 2.96 2q2bB1 GLY 321 H -0.22 0.76 -0.19 -0.55 8.43 8.24 2q2bB1 GLY 321 HA2 -0.08 -0.04 0.37 -0.51 4.01 3.74 2q2bB1 GLY 321 HA3 -0.11 0.03 0.26 -0.51 4.01 3.68 2q2bB1 ARG 322 H -0.20 0.55 -0.12 -0.55 8.46 8.14 2q2bB1 ARG 322 HA -0.09 -0.02 0.11 -0.75 4.34 3.59 2q2bB1 ARG 322 HB2 -0.19 0.12 0.14 -0.04 1.90 1.93 2q2bB1 ARG 322 HB3 -0.11 -0.07 -0.06 -0.04 1.80 1.52 2q2bB1 ARG 322 HG2 -0.13 -0.07 -0.01 -0.04 1.67 1.42 2q2bB1 ARG 322 HG3 -0.20 0.17 0.07 -0.04 1.67 1.66 2q2bB1 ARG 322 HD2 -0.51 -0.01 -0.04 -0.04 3.22 2.61 2q2bB1 ARG 322 HD3 -0.30 -0.06 -0.06 -0.04 3.22 2.75 2q2bB1 TYR 323 H -0.04 0.49 -0.10 -0.55 8.29 8.09 2q2bB1 TYR 323 HA -0.01 -0.03 0.43 -0.75 4.56 4.18 2q2bB1 TYR 323 HB2 0.04 -0.03 0.02 -0.04 3.06 3.05 2q2bB1 TYR 323 HB3 -0.16 0.29 0.13 -0.04 2.98 3.20 2q2bB1 TYR 323 HD2 0.10 0.03 -0.07 -0.04 7.15 7.17 2q2bB1 TYR 323 HE2 0.08 -0.01 -0.03 -0.04 6.85 6.85 2q2bB1 LEU 324 H 0.02 0.53 -0.19 -0.55 8.37 8.19 2q2bB1 LEU 324 HA -0.13 -0.03 0.33 -0.75 4.35 3.76 2q2bB1 LEU 324 HB2 -0.04 0.21 0.15 -0.04 1.64 1.92 2q2bB1 LEU 324 HB3 -0.03 -0.08 0.02 -0.04 1.64 1.51 2q2bB1 LEU 324 HG 0.03 0.36 0.08 -0.04 1.64 2.07 2q2bB1 LEU 324 HD13 -0.01 -0.04 -0.04 -0.04 0.93 0.81 2q2bB1 LEU 324 HD23 0.10 -0.04 0.01 -0.04 0.89 0.92 2q2bB1 GLN 325 H -0.08 0.33 -0.35 -0.55 8.47 7.83 2q2bB1 GLN 325 HA -0.06 0.02 0.40 -0.75 4.36 3.97 2q2bB1 GLN 325 HB2 -0.06 0.12 0.05 -0.04 2.15 2.23 2q2bB1 GLN 325 HB3 -0.05 -0.08 0.09 -0.04 2.02 1.94 2q2bB1 GLN 325 HG2 -0.04 -0.05 -0.00 -0.04 2.40 2.27 2q2bB1 GLN 325 HG3 -0.05 0.14 0.02 -0.04 2.39 2.46 2q2bB1 GLN 325 HE21 -0.03 -0.05 -0.04 -0.04 6.97 6.82 2q2bB1 GLN 325 HE22 -0.03 -0.01 -0.03 -0.04 7.69 7.58 2q2bB1 MET 326 H -0.15 0.51 -0.48 -0.55 8.47 7.81 2q2bB1 MET 326 HA -0.11 -0.02 0.16 -0.75 4.52 3.80 2q2bB1 MET 326 HB2 -0.12 -0.10 0.02 -0.04 2.15 1.91 2q2bB1 MET 326 HB3 -0.29 0.03 0.05 -0.04 2.03 1.77 2q2bB1 MET 326 HG2 -0.18 -0.13 -0.03 -0.04 2.63 2.24 2q2bB1 MET 326 HG3 -0.20 0.40 -0.19 -0.04 2.56 2.52 2q2bB1 MET 326 HE3 -0.06 -0.02 0.01 -0.04 2.10 1.99