============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 4 rings ring int. center anis. iso. HIS 25 0.900 86.083 7.114 6.078 -99.200 -91.000 TYR 36 0.840 77.312 13.488 11.089 -99.200 -91.000 PHE 47 1.000 64.239 17.881 15.524 -99.200 -91.000 TYR 77 0.840 80.068 11.097 10.151 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1x79A1 ILE 211 HA -0.00 -0.06 0.20 -0.75 4.18 3.57 1x79A1 ILE 211 HB -0.00 0.04 0.07 -0.04 1.89 1.96 1x79A1 ILE 211 HG12 -0.00 0.02 -0.08 -0.04 1.49 1.39 1x79A1 ILE 211 HG13 -0.00 -0.05 0.09 -0.04 1.21 1.20 1x79A1 ILE 211 HG23 -0.00 0.02 -0.04 -0.04 0.93 0.87 1x79A1 ILE 211 HD13 -0.00 0.02 0.01 -0.04 0.88 0.87 1x79A1 SER 212 H -0.00 0.25 0.16 -0.55 8.46 8.32 1x79A1 SER 212 HA -0.00 0.16 0.75 -0.75 4.49 4.64 1x79A1 SER 212 HB2 -0.00 0.05 0.14 -0.04 3.95 4.09 1x79A1 SER 212 HB3 -0.00 -0.01 0.12 -0.04 3.93 4.00 1x79A1 LYS 213 H -0.01 0.17 0.08 -0.55 8.42 8.12 1x79A1 LYS 213 HA -0.01 0.12 0.65 -0.75 4.32 4.33 1x79A1 LYS 213 HB2 -0.01 0.05 0.07 -0.04 1.87 1.94 1x79A1 LYS 213 HB3 -0.01 0.05 0.02 -0.04 1.79 1.81 1x79A1 LYS 213 HG2 -0.01 0.02 -0.03 -0.04 1.46 1.40 1x79A1 LYS 213 HG3 -0.01 -0.02 0.04 -0.04 1.46 1.44 1x79A1 LYS 213 HD2 -0.01 0.02 -0.00 -0.04 1.69 1.65 1x79A1 LYS 213 HD3 -0.01 0.03 -0.00 -0.04 1.68 1.65 1x79A1 LYS 213 HE2 -0.00 0.00 0.01 -0.04 2.99 2.96 1x79A1 LYS 213 HE3 -0.01 0.00 -0.01 -0.04 2.99 2.94 1x79A1 ARG 214 H -0.01 0.16 -0.15 -0.55 8.46 7.91 1x79A1 ARG 214 HA -0.01 0.09 0.44 -0.75 4.34 4.11 1x79A1 ARG 214 HB2 -0.00 0.07 0.09 -0.04 1.90 2.02 1x79A1 ARG 214 HB3 -0.00 0.02 0.06 -0.04 1.80 1.84 1x79A1 ARG 214 HG2 -0.00 0.01 -0.20 -0.04 1.67 1.43 1x79A1 ARG 214 HG3 -0.00 -0.00 -0.01 -0.04 1.67 1.61 1x79A1 ARG 214 HD2 0.00 0.00 -0.08 -0.04 3.22 3.10 1x79A1 ARG 214 HD3 0.00 0.03 -0.03 -0.04 3.22 3.18 1x79A1 VAL 215 H -0.01 0.27 -0.62 -0.55 8.24 7.34 1x79A1 VAL 215 HA -0.01 0.04 0.33 -0.75 4.13 3.74 1x79A1 VAL 215 HB -0.01 0.14 0.12 -0.04 2.12 2.33 1x79A1 VAL 215 HG13 -0.01 -0.02 -0.10 -0.04 0.97 0.80 1x79A1 VAL 215 HG23 -0.00 0.10 0.10 -0.04 0.95 1.10 1x79A1 ASN 216 H -0.01 0.38 -0.14 -0.55 8.53 8.22 1x79A1 ASN 216 HA -0.01 0.02 0.35 -0.75 4.76 4.36 1x79A1 ASN 216 HB2 -0.01 0.01 0.12 -0.04 2.88 2.96 1x79A1 ASN 216 HB3 -0.01 -0.01 0.01 -0.04 2.79 2.73 1x79A1 ASN 216 HD21 -0.01 -0.03 -0.04 -0.04 7.03 6.90 1x79A1 ASN 216 HD22 -0.01 -0.06 -0.01 -0.04 7.74 7.62 1x79A1 ALA 217 H -0.02 0.58 -0.26 -0.55 8.40 8.16 1x79A1 ALA 217 HA -0.03 0.02 0.44 -0.75 4.34 4.01 1x79A1 ALA 217 HB3 -0.03 0.04 0.07 -0.04 1.41 1.46 1x79A1 ILE 218 H -0.02 0.46 -0.19 -0.55 8.25 7.95 1x79A1 ILE 218 HA -0.02 0.01 0.28 -0.75 4.18 3.70 1x79A1 ILE 218 HB -0.01 0.09 0.15 -0.04 1.89 2.08 1x79A1 ILE 218 HG12 -0.01 -0.03 -0.01 -0.04 1.49 1.40 1x79A1 ILE 218 HG13 -0.01 0.16 0.09 -0.04 1.21 1.41 1x79A1 ILE 218 HG23 -0.01 -0.02 -0.14 -0.04 0.93 0.72 1x79A1 ILE 218 HD13 -0.00 -0.03 -0.15 -0.04 0.88 0.65 1x79A1 GLU 219 H -0.01 0.72 -0.03 -0.55 8.60 8.73 1x79A1 GLU 219 HA -0.01 -0.00 0.42 -0.75 4.29 3.94 1x79A1 GLU 219 HB2 -0.01 0.05 0.16 -0.04 2.09 2.25 1x79A1 GLU 219 HB3 -0.01 -0.03 -0.02 -0.04 1.99 1.89 1x79A1 GLU 219 HG2 -0.01 0.12 0.05 -0.04 2.34 2.46 1x79A1 GLU 219 HG3 -0.01 -0.04 -0.04 -0.04 2.34 2.21 1x79A1 GLU 220 H -0.02 0.62 -0.12 -0.55 8.60 8.53 1x79A1 GLU 220 HA -0.02 -0.03 0.35 -0.75 4.29 3.83 1x79A1 GLU 220 HB2 -0.02 0.05 0.16 -0.04 2.09 2.23 1x79A1 GLU 220 HB3 -0.03 0.16 0.19 -0.04 1.99 2.27 1x79A1 GLU 220 HG2 -0.03 -0.02 -0.21 -0.04 2.34 2.04 1x79A1 GLU 220 HG3 -0.02 -0.05 0.03 -0.04 2.34 2.25 1x79A1 VAL 221 H -0.03 0.65 -0.12 -0.55 8.24 8.19 1x79A1 VAL 221 HA -0.03 -0.02 0.39 -0.75 4.13 3.71 1x79A1 VAL 221 HB -0.02 0.11 0.20 -0.04 2.12 2.36 1x79A1 VAL 221 HG13 -0.03 -0.02 -0.13 -0.04 0.97 0.75 1x79A1 VAL 221 HG23 -0.05 0.07 0.02 -0.04 0.95 0.95 1x79A1 ASN 222 H -0.01 0.80 0.03 -0.55 8.53 8.80 1x79A1 ASN 222 HA -0.01 -0.04 0.34 -0.75 4.76 4.30 1x79A1 ASN 222 HB2 -0.01 0.07 0.18 -0.04 2.88 3.08 1x79A1 ASN 222 HB3 -0.00 -0.06 0.06 -0.04 2.79 2.75 1x79A1 ASN 222 HD21 -0.00 -0.06 -0.02 -0.04 7.03 6.91 1x79A1 ASN 222 HD22 -0.01 -0.04 -0.05 -0.04 7.74 7.60 1x79A1 ASN 223 H -0.01 0.72 -0.14 -0.55 8.53 8.55 1x79A1 ASN 223 HA -0.00 -0.02 0.38 -0.75 4.76 4.36 1x79A1 ASN 223 HB2 -0.01 0.15 0.13 -0.04 2.88 3.11 1x79A1 ASN 223 HB3 -0.01 -0.08 0.02 -0.04 2.79 2.68 1x79A1 ASN 223 HD21 -0.01 -0.06 -0.06 -0.04 7.03 6.86 1x79A1 ASN 223 HD22 -0.01 -0.01 -0.06 -0.04 7.74 7.62 1x79A1 ASN 224 H -0.01 0.52 -0.23 -0.55 8.53 8.25 1x79A1 ASN 224 HA -0.00 0.04 0.52 -0.75 4.76 4.56 1x79A1 ASN 224 HB2 -0.02 0.14 0.14 -0.04 2.88 3.10 1x79A1 ASN 224 HB3 -0.02 -0.08 -0.01 -0.04 2.79 2.63 1x79A1 ASN 224 HD21 -0.02 -0.04 -0.03 -0.04 7.03 6.90 1x79A1 ASN 224 HD22 -0.03 -0.01 -0.06 -0.04 7.74 7.59 1x79A1 VAL 225 H -0.01 0.74 0.11 -0.55 8.24 8.54 1x79A1 VAL 225 HA 0.01 -0.00 0.37 -0.75 4.13 3.75 1x79A1 VAL 225 HB 0.00 0.03 0.09 -0.04 2.12 2.19 1x79A1 VAL 225 HG13 0.01 -0.02 -0.09 -0.04 0.97 0.84 1x79A1 VAL 225 HG23 -0.01 0.10 -0.05 -0.04 0.95 0.95 1x79A1 LYS 226 H 0.00 0.39 -0.27 -0.55 8.42 7.99 1x79A1 LYS 226 HA 0.01 -0.01 0.40 -0.75 4.32 3.97 1x79A1 LYS 226 HB2 0.00 0.25 0.11 -0.04 1.87 2.20 1x79A1 LYS 226 HB3 0.01 -0.07 0.03 -0.04 1.79 1.71 1x79A1 LYS 226 HG2 0.00 0.21 0.16 -0.04 1.46 1.80 1x79A1 LYS 226 HG3 0.00 -0.04 0.06 -0.04 1.46 1.45 1x79A1 LYS 226 HD2 0.01 -0.03 0.02 -0.04 1.69 1.64 1x79A1 LYS 226 HD3 0.01 -0.05 0.03 -0.04 1.68 1.63 1x79A1 LYS 226 HE2 0.00 -0.04 0.00 -0.04 2.99 2.92 1x79A1 LYS 226 HE3 0.00 0.03 0.02 -0.04 2.99 3.01 1x79A1 LEU 227 H 0.01 0.35 -0.06 -0.55 8.37 8.12 1x79A1 LEU 227 HA 0.01 0.00 0.44 -0.75 4.35 4.06 1x79A1 LEU 227 HB2 0.01 0.05 0.16 -0.04 1.64 1.82 1x79A1 LEU 227 HB3 0.01 0.05 0.17 -0.04 1.64 1.83 1x79A1 LEU 227 HG 0.02 -0.05 0.08 -0.04 1.64 1.64 1x79A1 LEU 227 HD13 0.01 -0.00 0.01 -0.04 0.93 0.91 1x79A1 LEU 227 HD23 0.02 -0.01 -0.26 -0.04 0.89 0.60 1x79A1 LEU 228 H 0.02 0.81 -0.02 -0.55 8.37 8.63 1x79A1 LEU 228 HA 0.04 -0.02 0.32 -0.75 4.35 3.94 1x79A1 LEU 228 HB2 0.03 -0.06 0.00 -0.04 1.64 1.57 1x79A1 LEU 228 HB3 0.03 0.11 0.04 -0.04 1.64 1.79 1x79A1 LEU 228 HG 0.11 0.03 -0.20 -0.04 1.64 1.54 1x79A1 LEU 228 HD13 0.10 -0.03 -0.03 -0.04 0.93 0.93 1x79A1 LEU 228 HD23 0.07 -0.01 -0.15 -0.04 0.89 0.77 1x79A1 THR 229 H 0.03 0.62 -0.23 -0.55 8.28 8.16 1x79A1 THR 229 HA 0.05 -0.00 0.42 -0.75 4.39 4.10 1x79A1 THR 229 HB 0.02 0.11 0.16 -0.04 4.32 4.58 1x79A1 THR 229 HG23 0.03 -0.03 -0.06 -0.04 1.22 1.11 1x79A1 GLU 230 H 0.03 0.45 -0.11 -0.55 8.60 8.42 1x79A1 GLU 230 HA 0.02 -0.01 0.48 -0.75 4.29 4.04 1x79A1 GLU 230 HB2 0.02 -0.04 0.03 -0.04 2.09 2.07 1x79A1 GLU 230 HB3 0.02 -0.03 0.12 -0.04 1.99 2.06 1x79A1 GLU 230 HG2 0.02 0.33 0.32 -0.04 2.34 2.96 1x79A1 GLU 230 HG3 0.02 0.09 0.27 -0.04 2.34 2.68 1x79A1 MET 231 H 0.03 0.56 0.03 -0.55 8.47 8.54 1x79A1 MET 231 HA 0.04 -0.04 0.24 -0.75 4.52 4.01 1x79A1 MET 231 HB2 0.05 0.12 0.07 -0.04 2.15 2.35 1x79A1 MET 231 HB3 0.04 -0.08 -0.08 -0.04 2.03 1.87 1x79A1 MET 231 HG2 0.03 -0.07 0.04 -0.04 2.63 2.59 1x79A1 MET 231 HG3 0.03 0.36 0.00 -0.04 2.56 2.91 1x79A1 MET 231 HE3 0.04 -0.03 -0.14 -0.04 2.10 1.93 1x79A1 VAL 232 H 0.04 0.39 -0.69 -0.55 8.24 7.44 1x79A1 VAL 232 HA -0.04 -0.01 0.41 -0.75 4.13 3.74 1x79A1 VAL 232 HB 0.03 0.13 0.16 -0.04 2.12 2.40 1x79A1 VAL 232 HG13 -0.04 -0.04 -0.16 -0.04 0.97 0.69 1x79A1 VAL 232 HG23 0.11 0.10 0.03 -0.04 0.95 1.15 1x79A1 MET 233 H 0.03 0.48 0.14 -0.55 8.47 8.57 1x79A1 MET 233 HA 0.03 -0.01 0.39 -0.75 4.52 4.18 1x79A1 MET 233 HB2 0.02 -0.00 0.22 -0.04 2.15 2.35 1x79A1 MET 233 HB3 0.02 -0.07 0.05 -0.04 2.03 1.98 1x79A1 MET 233 HG2 0.02 0.33 0.18 -0.04 2.63 3.13 1x79A1 MET 233 HG3 0.02 -0.09 0.03 -0.04 2.56 2.48 1x79A1 MET 233 HE3 0.01 -0.02 -0.00 -0.04 2.10 2.05 1x79A1 SER 234 H 0.04 0.51 -0.15 -0.55 8.46 8.32 1x79A1 SER 234 HA 0.03 0.01 0.33 -0.75 4.49 4.10 1x79A1 SER 234 HB2 0.05 0.05 -0.06 -0.04 3.95 3.94 1x79A1 SER 234 HB3 0.03 -0.06 0.14 -0.04 3.93 4.00 1x79A1 HIS 235 H 0.08 0.90 -1.07 -0.55 8.41 7.78 1x79A1 HIS 235 HA -0.02 -0.04 0.72 -0.75 4.63 4.54 1x79A1 HIS 235 HB2 -0.01 0.20 -0.22 -0.04 3.26 3.19 1x79A1 HIS 235 HB3 -0.04 0.33 0.15 -0.04 3.20 3.60 1x79A1 HIS 235 HD2 -0.01 -0.09 -0.33 -0.04 6.97 6.50 1x79A1 HIS 235 HE1 -0.07 0.03 0.06 -0.04 7.75 7.72 1x79A1 SER 236 H -0.01 0.31 0.03 -0.55 8.46 8.25 1x79A1 SER 236 HA -0.07 -0.00 0.03 -0.75 4.49 3.69 1x79A1 SER 236 HB2 -0.02 0.37 0.61 -0.04 3.95 4.87 1x79A1 SER 236 HB3 0.00 0.00 0.15 -0.04 3.93 4.05 1x79A1 SER 244 HA 0.02 0.02 0.23 -0.75 4.49 4.01 1x79A1 SER 244 HB2 0.01 0.05 0.10 -0.04 3.95 4.07 1x79A1 SER 244 HB3 0.02 -0.12 0.21 -0.04 3.93 4.00 1x79A1 SER 245 H 0.05 0.19 0.22 -0.55 8.46 8.37 1x79A1 SER 245 HA 0.05 0.08 0.67 -0.75 4.49 4.53 1x79A1 SER 245 HB2 0.13 0.07 0.17 -0.04 3.95 4.28 1x79A1 SER 245 HB3 0.08 0.04 0.10 -0.04 3.93 4.12 1x79A1 GLU 246 H 0.13 0.18 0.04 -0.55 8.60 8.40 1x79A1 GLU 246 HA 0.03 0.07 0.32 -0.75 4.29 3.97 1x79A1 GLU 246 HB2 0.35 0.07 0.12 -0.04 2.09 2.59 1x79A1 GLU 246 HB3 0.12 0.06 0.07 -0.04 1.99 2.20 1x79A1 GLU 246 HG2 0.05 -0.00 -0.28 -0.04 2.34 2.07 1x79A1 GLU 246 HG3 0.02 -0.05 0.10 -0.04 2.34 2.37 1x79A1 ASP 247 H 0.05 0.16 -1.11 -0.55 8.40 6.96 1x79A1 ASP 247 HA 0.04 0.09 0.39 -0.75 4.63 4.39 1x79A1 ASP 247 HB2 0.03 0.10 0.12 -0.04 2.71 2.92 1x79A1 ASP 247 HB3 0.03 -0.03 -0.01 -0.04 2.70 2.65 1x79A1 LEU 248 H 0.03 0.24 0.09 -0.55 8.37 8.19 1x79A1 LEU 248 HA 0.02 0.03 0.44 -0.75 4.35 4.09 1x79A1 LEU 248 HB2 0.02 0.01 0.18 -0.04 1.64 1.81 1x79A1 LEU 248 HB3 0.03 0.08 0.12 -0.04 1.64 1.83 1x79A1 LEU 248 HG 0.02 -0.02 -0.07 -0.04 1.64 1.53 1x79A1 LEU 248 HD13 0.01 -0.01 0.08 -0.04 0.93 0.97 1x79A1 LEU 248 HD23 0.02 0.00 0.02 -0.04 0.89 0.89 1x79A1 MET 249 H 0.04 0.38 -0.45 -0.55 8.47 7.89 1x79A1 MET 249 HA 0.05 0.00 0.35 -0.75 4.52 4.17 1x79A1 MET 249 HB2 0.02 0.05 -0.05 -0.04 2.15 2.13 1x79A1 MET 249 HB3 0.01 0.05 0.04 -0.04 2.03 2.08 1x79A1 MET 249 HG2 0.22 -0.03 -0.38 -0.04 2.63 2.39 1x79A1 MET 249 HG3 0.09 -0.06 -0.12 -0.04 2.56 2.43 1x79A1 MET 249 HE3 -0.44 0.00 0.01 -0.04 2.10 1.63 1x79A1 LYS 250 H 0.07 0.61 0.04 -0.55 8.42 8.59 1x79A1 LYS 250 HA 0.20 -0.01 0.30 -0.75 4.32 4.06 1x79A1 LYS 250 HB2 0.07 0.12 0.14 -0.04 1.87 2.16 1x79A1 LYS 250 HB3 0.10 -0.05 0.02 -0.04 1.79 1.82 1x79A1 LYS 250 HG2 0.22 -0.04 0.08 -0.04 1.46 1.68 1x79A1 LYS 250 HG3 0.06 0.14 0.16 -0.04 1.46 1.78 1x79A1 LYS 250 HD2 0.08 -0.04 0.02 -0.04 1.69 1.70 1x79A1 LYS 250 HD3 0.05 0.04 0.03 -0.04 1.68 1.75 1x79A1 LYS 250 HE2 0.04 0.02 -0.05 -0.04 2.99 2.97 1x79A1 LYS 250 HE3 0.05 -0.01 -0.00 -0.04 2.99 2.99 1x79A1 GLU 251 H 0.05 0.25 -0.90 -0.55 8.60 7.46 1x79A1 GLU 251 HA 0.02 0.01 0.44 -0.75 4.29 4.01 1x79A1 GLU 251 HB2 0.02 0.04 0.05 -0.04 2.09 2.16 1x79A1 GLU 251 HB3 0.02 0.31 0.12 -0.04 1.99 2.40 1x79A1 GLU 251 HG2 -0.00 -0.06 -0.21 -0.04 2.34 2.02 1x79A1 GLU 251 HG3 0.00 -0.04 0.00 -0.04 2.34 2.26 1x79A1 LEU 252 H 0.02 0.48 0.13 -0.55 8.37 8.46 1x79A1 LEU 252 HA -0.02 -0.02 0.47 -0.75 4.35 4.02 1x79A1 LEU 252 HB2 0.01 0.05 0.16 -0.04 1.64 1.81 1x79A1 LEU 252 HB3 0.03 0.07 0.20 -0.04 1.64 1.90 1x79A1 LEU 252 HG -0.01 -0.02 -0.21 -0.04 1.64 1.36 1x79A1 LEU 252 HD13 -0.02 -0.02 0.02 -0.04 0.93 0.87 1x79A1 LEU 252 HD23 0.01 0.00 -0.04 -0.04 0.89 0.83 1x79A1 TYR 253 H 0.04 0.47 -0.06 -0.55 8.29 8.20 1x79A1 TYR 253 HA -0.23 -0.03 0.33 -0.75 4.56 3.88 1x79A1 TYR 253 HB2 -0.70 -0.01 0.01 -0.04 3.06 2.32 1x79A1 TYR 253 HB3 -0.45 0.16 0.00 -0.04 2.98 2.65 1x79A1 TYR 253 HD2 -0.42 0.03 -0.09 -0.04 7.15 6.64 1x79A1 TYR 253 HE2 -0.13 -0.00 -0.01 -0.04 6.85 6.67 1x79A1 GLN 254 H -0.04 0.38 -0.61 -0.55 8.47 7.65 1x79A1 GLN 254 HA -0.26 -0.01 0.34 -0.75 4.36 3.67 1x79A1 GLN 254 HB2 -0.01 0.24 0.24 -0.04 2.15 2.57 1x79A1 GLN 254 HB3 -0.05 -0.02 0.04 -0.04 2.02 1.94 1x79A1 GLN 254 HG2 -0.01 -0.03 0.01 -0.04 2.40 2.33 1x79A1 GLN 254 HG3 -0.06 -0.07 0.04 -0.04 2.39 2.26 1x79A1 GLN 254 HE21 0.10 0.00 -0.02 -0.04 6.97 7.01 1x79A1 GLN 254 HE22 0.02 -0.04 -0.00 -0.04 7.69 7.62 1x79A1 ARG 255 H -0.09 0.52 0.08 -0.55 8.46 8.42 1x79A1 ARG 255 HA -0.09 -0.01 0.50 -0.75 4.34 3.99 1x79A1 ARG 255 HB2 -0.05 -0.03 0.12 -0.04 1.90 1.90 1x79A1 ARG 255 HB3 -0.06 0.12 0.23 -0.04 1.80 2.05 1x79A1 ARG 255 HG2 -0.08 0.03 -0.43 -0.04 1.67 1.15 1x79A1 ARG 255 HG3 -0.07 -0.07 -0.07 -0.04 1.67 1.43 1x79A1 ARG 255 HD2 -0.04 0.01 -0.01 -0.04 3.22 3.14 1x79A1 ARG 255 HD3 -0.04 -0.03 -0.07 -0.04 3.22 3.03 1x79A1 CYS 256 H -0.17 0.70 -0.15 -0.55 8.50 8.34 1x79A1 CYS 256 HA -0.13 -0.04 0.39 -0.75 4.58 4.04 1x79A1 CYS 256 HB2 -0.21 0.15 0.06 -0.04 2.97 2.93 1x79A1 CYS 256 HB3 -0.16 -0.04 -0.02 -0.04 2.97 2.71 1x79A1 GLU 257 H -0.37 0.51 -0.28 -0.55 8.60 7.91 1x79A1 GLU 257 HA -0.25 0.03 0.66 -0.75 4.29 3.96 1x79A1 GLU 257 HB2 -0.36 0.20 0.21 -0.04 2.09 2.10 1x79A1 GLU 257 HB3 -0.19 -0.07 -0.02 -0.04 1.99 1.67 1x79A1 GLU 257 HG2 -0.25 -0.07 0.07 -0.04 2.34 2.05 1x79A1 GLU 257 HG3 -0.88 0.06 0.01 -0.04 2.34 1.49 1x79A1 ARG 258 H -0.16 0.53 -0.17 -0.55 8.46 8.11 1x79A1 ARG 258 HA -0.11 0.06 0.50 -0.75 4.34 4.04 1x79A1 ARG 258 HB2 -0.09 0.07 0.10 -0.04 1.90 1.94 1x79A1 ARG 258 HB3 -0.07 -0.08 0.14 -0.04 1.80 1.75 1x79A1 ARG 258 HG2 -0.10 -0.06 -0.03 -0.04 1.67 1.44 1x79A1 ARG 258 HG3 -0.10 0.25 0.12 -0.04 1.67 1.90 1x79A1 ARG 258 HD2 -0.05 -0.05 0.02 -0.04 3.22 3.10 1x79A1 ARG 258 HD3 -0.05 -0.03 -0.00 -0.04 3.22 3.10 1x79A1 MET 259 H -0.14 0.30 -0.39 -0.55 8.47 7.69 1x79A1 MET 259 HA -0.12 0.05 0.71 -0.75 4.52 4.42 1x79A1 MET 259 HB2 -0.13 0.25 0.11 -0.04 2.15 2.34 1x79A1 MET 259 HB3 -0.12 -0.10 0.00 -0.04 2.03 1.78 1x79A1 MET 259 HG2 -0.09 0.13 -0.05 -0.04 2.63 2.58 1x79A1 MET 259 HG3 -0.08 -0.02 -0.03 -0.04 2.56 2.38 1x79A1 MET 259 HE3 -0.06 -0.02 0.04 -0.04 2.10 2.02 1x79A1 ARG 260 H -0.22 0.43 -0.31 -0.55 8.46 7.81 1x79A1 ARG 260 HA -0.43 -0.01 0.35 -0.75 4.34 3.49 1x79A1 ARG 260 HB2 -0.39 0.10 0.10 -0.04 1.90 1.66 1x79A1 ARG 260 HB3 -0.77 -0.07 0.03 -0.04 1.80 0.95 1x79A1 ARG 260 HG2 -0.20 -0.06 0.05 -0.04 1.67 1.43 1x79A1 ARG 260 HG3 -0.19 0.34 0.19 -0.04 1.67 1.98 1x79A1 ARG 260 HD2 -0.06 0.03 0.05 -0.04 3.22 3.19 1x79A1 ARG 260 HD3 -0.01 -0.03 0.03 -0.04 3.22 3.17 1x79A1 PRO 261 HA -0.10 0.02 0.38 -0.51 4.44 4.24 1x79A1 PRO 261 HB2 -0.07 0.08 0.00 -0.04 2.28 2.25 1x79A1 PRO 261 HB3 0.01 0.00 0.07 -0.04 2.02 2.05 1x79A1 PRO 261 HG2 -0.06 0.08 0.07 -0.04 2.03 2.09 1x79A1 PRO 261 HG3 -0.02 0.01 0.06 -0.04 2.03 2.04 1x79A1 PRO 261 HD2 -0.17 0.37 -0.36 -0.04 3.68 3.48 1x79A1 PRO 261 HD3 -0.21 0.20 0.10 -0.04 3.65 3.69 1x79A1 THR 262 H -0.18 0.30 -0.65 -0.55 8.28 7.20 1x79A1 THR 262 HA -0.05 0.00 0.27 -0.75 4.39 3.86 1x79A1 THR 262 HB -0.10 0.22 0.20 -0.04 4.32 4.59 1x79A1 THR 262 HG23 -0.05 -0.03 -0.05 -0.04 1.22 1.05 1x79A1 LEU 263 H -0.19 0.53 0.05 -0.55 8.37 8.22 1x79A1 LEU 263 HA -0.04 -0.04 0.48 -0.75 4.35 3.99 1x79A1 LEU 263 HB2 -0.25 0.12 0.15 -0.04 1.64 1.63 1x79A1 LEU 263 HB3 -0.04 -0.06 -0.05 -0.04 1.64 1.45 1x79A1 LEU 263 HG -0.05 -0.03 -0.03 -0.04 1.64 1.49 1x79A1 LEU 263 HD13 -0.05 -0.02 -0.05 -0.04 0.93 0.76 1x79A1 LEU 263 HD23 -0.12 0.07 -0.10 -0.04 0.89 0.69 1x79A1 PHE 264 H -0.31 0.78 -0.19 -0.55 8.34 8.07 1x79A1 PHE 264 HA -0.01 -0.02 0.32 -0.75 4.62 4.16 1x79A1 PHE 264 HB2 -0.01 0.13 0.14 -0.04 3.15 3.37 1x79A1 PHE 264 HB3 -0.01 -0.05 -0.04 -0.04 3.06 2.92 1x79A1 PHE 264 HD2 -0.01 -0.04 -0.06 -0.04 7.28 7.13 1x79A1 PHE 264 HE2 -0.01 -0.01 -0.07 -0.04 7.38 7.26 1x79A1 PHE 264 HZ -0.01 0.01 -0.05 -0.04 7.32 7.23 1x79A1 ARG 265 H 0.09 0.70 -0.07 -0.55 8.46 8.62 1x79A1 ARG 265 HA 0.07 0.01 0.31 -0.75 4.34 3.98 1x79A1 ARG 265 HB2 0.05 0.01 0.10 -0.04 1.90 2.02 1x79A1 ARG 265 HB3 0.02 0.09 0.15 -0.04 1.80 2.02 1x79A1 ARG 265 HG2 0.02 -0.03 -0.03 -0.04 1.67 1.58 1x79A1 ARG 265 HG3 0.02 -0.02 -0.26 -0.04 1.67 1.37 1x79A1 ARG 265 HD2 0.03 -0.00 0.10 -0.04 3.22 3.31 1x79A1 ARG 265 HD3 0.03 -0.01 0.00 -0.04 3.22 3.20 1x79A1 LEU 266 H 0.02 0.59 -0.12 -0.55 8.37 8.31 1x79A1 LEU 266 HA 0.01 -0.01 0.35 -0.75 4.35 3.95 1x79A1 LEU 266 HB2 0.01 0.10 0.19 -0.04 1.64 1.90 1x79A1 LEU 266 HB3 0.01 -0.10 0.00 -0.04 1.64 1.51 1x79A1 LEU 266 HG -0.01 0.21 0.05 -0.04 1.64 1.85 1x79A1 LEU 266 HD13 -0.02 -0.02 -0.04 -0.04 0.93 0.81 1x79A1 LEU 266 HD23 -0.00 -0.04 -0.06 -0.04 0.89 0.75 1x79A1 ALA 267 H 0.05 0.70 -0.07 -0.55 8.40 8.54 1x79A1 ALA 267 HA 0.03 -0.09 0.33 -0.75 4.34 3.85 1x79A1 ALA 267 HB3 0.07 0.02 0.10 -0.04 1.41 1.55 1x79A1 SER 268 H 0.05 0.56 -0.34 -0.55 8.46 8.18 1x79A1 SER 268 HA 0.02 -0.00 0.40 -0.75 4.49 4.15 1x79A1 SER 268 HB2 0.01 -0.09 0.14 -0.04 3.95 3.97 1x79A1 SER 268 HB3 0.03 -0.02 0.09 -0.04 3.93 3.98 1x79A1 ASP 269 H 0.02 0.63 -0.60 -0.55 8.40 7.90 1x79A1 ASP 269 HA 0.01 0.15 0.79 -0.75 4.63 4.83 1x79A1 ASP 269 HB2 0.01 0.22 0.15 -0.04 2.71 3.05 1x79A1 ASP 269 HB3 0.01 -0.14 0.07 -0.04 2.70 2.59 1x79A1 THR 270 H 0.01 0.38 -0.10 -0.55 8.28 8.02 1x79A1 THR 270 HA 0.01 0.06 0.51 -0.75 4.39 4.21 1x79A1 THR 270 HB 0.01 0.15 0.18 -0.04 4.32 4.62 1x79A1 THR 270 HG23 0.01 -0.07 -0.25 -0.04 1.22 0.86 1x79A1 GLU 271 H 0.00 0.42 0.22 -0.55 8.60 8.69 1x79A1 GLU 271 HA 0.00 0.07 0.56 -0.75 4.29 4.17 1x79A1 GLU 271 HB2 0.00 -0.03 0.22 -0.04 2.09 2.25 1x79A1 GLU 271 HB3 0.00 0.01 0.07 -0.04 1.99 2.03 1x79A1 GLU 271 HG2 0.00 0.02 0.02 -0.04 2.34 2.34 1x79A1 GLU 271 HG3 0.00 0.21 0.08 -0.04 2.34 2.59 1x79A1 ASP 272 H 0.00 0.26 0.24 -0.55 8.40 8.36 1x79A1 ASP 272 HA 0.00 0.05 0.34 -0.75 4.63 4.27 1x79A1 ASP 272 HB2 0.00 0.03 0.06 -0.04 2.71 2.76 1x79A1 ASP 272 HB3 0.00 0.08 -0.06 -0.04 2.70 2.68 1x79A1 ASN 273 H 0.00 0.18 -1.15 -0.55 8.53 7.01 1x79A1 ASN 273 HA 0.00 0.16 0.64 -0.75 4.76 4.82 1x79A1 ASN 273 HB2 0.00 0.22 0.11 -0.04 2.88 3.17 1x79A1 ASN 273 HB3 0.00 -0.12 0.11 -0.04 2.79 2.73 1x79A1 ASN 273 HD21 0.00 0.01 0.06 -0.04 7.03 7.07 1x79A1 ASN 273 HD22 0.00 0.08 0.07 -0.04 7.74 7.86 1x79A1 ASP 274 H 0.00 0.46 -1.20 -0.55 8.40 7.12 1x79A1 ASP 274 HA 0.00 0.04 0.30 -0.75 4.63 4.22 1x79A1 ASP 274 HB2 0.00 0.17 0.11 -0.04 2.71 2.95 1x79A1 ASP 274 HB3 0.00 -0.04 -0.02 -0.04 2.70 2.60 1x79A1 GLU 275 H 0.00 0.07 -0.40 -0.55 8.60 7.73 1x79A1 GLU 275 HA 0.00 0.08 0.38 -0.75 4.29 4.00 1x79A1 GLU 275 HB2 0.00 0.00 0.08 -0.04 2.09 2.13 1x79A1 GLU 275 HB3 0.00 0.02 0.04 -0.04 1.99 2.01 1x79A1 GLU 275 HG2 0.00 0.02 -0.03 -0.04 2.34 2.29 1x79A1 GLU 275 HG3 0.00 -0.03 0.02 -0.04 2.34 2.29 1x79A1 ALA 276 H 0.00 0.40 0.15 -0.55 8.40 8.41 1x79A1 ALA 276 HA 0.00 0.05 0.45 -0.75 4.34 4.09 1x79A1 ALA 276 HB3 0.00 -0.00 0.10 -0.04 1.41 1.47 1x79A1 LEU 277 H 0.01 0.27 -0.26 -0.55 8.37 7.84 1x79A1 LEU 277 HA 0.01 0.03 0.40 -0.75 4.35 4.04 1x79A1 LEU 277 HB2 0.01 -0.02 -0.05 -0.04 1.64 1.54 1x79A1 LEU 277 HB3 0.01 0.15 -0.07 -0.04 1.64 1.69 1x79A1 LEU 277 HG 0.01 0.00 -0.21 -0.04 1.64 1.40 1x79A1 LEU 277 HD13 0.02 0.00 0.08 -0.04 0.93 0.99 1x79A1 LEU 277 HD23 0.01 0.02 -0.01 -0.04 0.89 0.86 1x79A1 ALA 278 H 0.01 0.44 -0.32 -0.55 8.40 7.98 1x79A1 ALA 278 HA 0.01 -0.02 0.37 -0.75 4.34 3.94 1x79A1 ALA 278 HB3 0.01 0.05 0.12 -0.04 1.41 1.55 1x79A1 GLU 279 H 0.00 0.48 -0.15 -0.55 8.60 8.38 1x79A1 GLU 279 HA 0.00 0.00 0.43 -0.75 4.29 3.97 1x79A1 GLU 279 HB2 0.00 0.18 0.19 -0.04 2.09 2.42 1x79A1 GLU 279 HB3 0.00 -0.06 0.00 -0.04 1.99 1.89 1x79A1 GLU 279 HG2 0.00 -0.04 0.05 -0.04 2.34 2.31 1x79A1 GLU 279 HG3 0.00 0.18 0.09 -0.04 2.34 2.57 1x79A1 ILE 280 H 0.01 0.50 -0.16 -0.55 8.25 8.04 1x79A1 ILE 280 HA 0.00 0.00 0.40 -0.75 4.18 3.82 1x79A1 ILE 280 HB 0.02 0.10 0.20 -0.04 1.89 2.17 1x79A1 ILE 280 HG12 0.01 0.33 0.10 -0.04 1.49 1.88 1x79A1 ILE 280 HG13 0.01 -0.05 -0.06 -0.04 1.21 1.07 1x79A1 ILE 280 HG23 0.02 -0.03 -0.01 -0.04 0.93 0.86 1x79A1 ILE 280 HD13 0.00 -0.03 -0.05 -0.04 0.88 0.76 1x79A1 LEU 281 H 0.02 0.61 0.02 -0.55 8.37 8.47 1x79A1 LEU 281 HA 0.03 -0.01 0.31 -0.75 4.35 3.92 1x79A1 LEU 281 HB2 0.02 0.08 0.09 -0.04 1.64 1.79 1x79A1 LEU 281 HB3 0.02 -0.03 0.05 -0.04 1.64 1.64 1x79A1 LEU 281 HG 0.02 0.16 0.11 -0.04 1.64 1.89 1x79A1 LEU 281 HD13 0.01 -0.01 -0.06 -0.04 0.93 0.83 1x79A1 LEU 281 HD23 0.04 -0.01 -0.01 -0.04 0.89 0.87 1x79A1 GLN 282 H 0.01 0.55 -0.34 -0.55 8.47 8.15 1x79A1 GLN 282 HA 0.01 -0.00 0.41 -0.75 4.36 4.02 1x79A1 GLN 282 HB2 0.01 0.04 0.12 -0.04 2.15 2.27 1x79A1 GLN 282 HB3 0.00 0.15 0.18 -0.04 2.02 2.32 1x79A1 GLN 282 HG2 0.00 -0.01 0.00 -0.04 2.40 2.35 1x79A1 GLN 282 HG3 0.00 -0.01 -0.16 -0.04 2.39 2.18 1x79A1 GLN 282 HE21 0.01 -0.01 0.02 -0.04 6.97 6.95 1x79A1 GLN 282 HE22 0.01 0.03 0.03 -0.04 7.69 7.71 1x79A1 ALA 283 H 0.00 0.51 -0.15 -0.55 8.40 8.22 1x79A1 ALA 283 HA -0.00 -0.02 0.42 -0.75 4.34 3.98 1x79A1 ALA 283 HB3 -0.01 0.05 0.17 -0.04 1.41 1.58 1x79A1 ASN 284 H 0.01 0.58 -0.04 -0.55 8.53 8.53 1x79A1 ASN 284 HA -0.01 -0.01 0.39 -0.75 4.76 4.37 1x79A1 ASN 284 HB2 0.03 0.01 0.05 -0.04 2.88 2.93 1x79A1 ASN 284 HB3 0.04 0.11 0.10 -0.04 2.79 3.00 1x79A1 ASN 284 HD21 0.14 -0.01 -0.05 -0.04 7.03 7.07 1x79A1 ASN 284 HD22 0.08 0.03 -0.08 -0.04 7.74 7.73 1x79A1 ASP 285 H 0.02 0.66 -0.20 -0.55 8.40 8.33 1x79A1 ASP 285 HA 0.02 -0.03 0.46 -0.75 4.63 4.33 1x79A1 ASP 285 HB2 0.01 0.34 0.29 -0.04 2.71 3.31 1x79A1 ASP 285 HB3 0.01 -0.08 -0.00 -0.04 2.70 2.60 1x79A1 ASN 286 H 0.01 0.60 0.02 -0.55 8.53 8.61 1x79A1 ASN 286 HA 0.01 -0.01 0.28 -0.75 4.76 4.29 1x79A1 ASN 286 HB2 0.00 0.06 0.07 -0.04 2.88 2.97 1x79A1 ASN 286 HB3 0.01 -0.06 0.06 -0.04 2.79 2.75 1x79A1 ASN 286 HD21 0.01 -0.02 0.01 -0.04 7.03 6.98 1x79A1 ASN 286 HD22 0.01 -0.04 0.01 -0.04 7.74 7.67 1x79A1 LEU 287 H -0.00 0.62 -0.31 -0.55 8.37 8.13 1x79A1 LEU 287 HA -0.01 -0.02 0.44 -0.75 4.35 4.01 1x79A1 LEU 287 HB2 -0.03 0.00 0.07 -0.04 1.64 1.64 1x79A1 LEU 287 HB3 -0.02 0.13 0.20 -0.04 1.64 1.90 1x79A1 LEU 287 HG -0.06 -0.00 -0.14 -0.04 1.64 1.39 1x79A1 LEU 287 HD13 -0.06 -0.01 0.03 -0.04 0.93 0.84 1x79A1 LEU 287 HD23 -0.10 0.01 -0.05 -0.04 0.89 0.71 1x79A1 THR 288 H 0.01 0.89 0.07 -0.55 8.28 8.71 1x79A1 THR 288 HA 0.03 -0.02 0.32 -0.75 4.39 3.97 1x79A1 THR 288 HB 0.03 0.11 0.18 -0.04 4.32 4.60 1x79A1 THR 288 HG23 0.04 -0.03 -0.07 -0.04 1.22 1.12 1x79A1 GLN 289 H 0.03 0.60 -0.28 -0.55 8.47 8.27 1x79A1 GLN 289 HA 0.04 -0.02 0.32 -0.75 4.36 3.94 1x79A1 GLN 289 HB2 0.02 -0.05 0.07 -0.04 2.15 2.15 1x79A1 GLN 289 HB3 0.02 0.18 0.13 -0.04 2.02 2.32 1x79A1 GLN 289 HG2 0.03 0.07 -0.24 -0.04 2.40 2.22 1x79A1 GLN 289 HG3 0.03 -0.07 -0.09 -0.04 2.39 2.21 1x79A1 GLN 289 HE21 0.01 -0.04 -0.01 -0.04 6.97 6.88 1x79A1 GLN 289 HE22 0.02 0.07 0.01 -0.04 7.69 7.75 1x79A1 VAL 290 H 0.04 0.50 -0.12 -0.55 8.24 8.10 1x79A1 VAL 290 HA 0.06 0.05 0.60 -0.75 4.13 4.08 1x79A1 VAL 290 HB 0.04 0.00 0.11 -0.04 2.12 2.23 1x79A1 VAL 290 HG13 0.03 0.04 0.11 -0.04 0.97 1.11 1x79A1 VAL 290 HG23 0.08 -0.02 -0.09 -0.04 0.95 0.88 1x79A1 ILE 291 H 0.07 0.61 -0.12 -0.55 8.25 8.26 1x79A1 ILE 291 HA 0.31 0.01 0.53 -0.75 4.18 4.28 1x79A1 ILE 291 HB 0.06 0.14 0.14 -0.04 1.89 2.19 1x79A1 ILE 291 HG12 0.00 -0.03 -0.01 -0.04 1.49 1.42 1x79A1 ILE 291 HG13 0.02 -0.04 -0.05 -0.04 1.21 1.10 1x79A1 ILE 291 HG23 0.12 -0.02 -0.15 -0.04 0.93 0.85 1x79A1 ILE 291 HD13 -0.11 -0.00 -0.15 -0.04 0.88 0.59 1x79A1 ASN 292 H 0.08 0.56 -0.10 -0.55 8.53 8.51 1x79A1 ASN 292 HA 0.08 0.03 0.41 -0.75 4.76 4.52 1x79A1 ASN 292 HB2 0.05 0.09 0.13 -0.04 2.88 3.10 1x79A1 ASN 292 HB3 0.04 -0.04 -0.02 -0.04 2.79 2.73 1x79A1 ASN 292 HD21 0.04 -0.05 -0.07 -0.04 7.03 6.91 1x79A1 ASN 292 HD22 0.03 -0.02 -0.08 -0.04 7.74 7.64 1x79A1 LEU 293 H 0.07 0.45 -0.15 -0.55 8.37 8.19 1x79A1 LEU 293 HA 0.03 0.02 0.43 -0.75 4.35 4.07 1x79A1 LEU 293 HB2 0.05 0.17 0.23 -0.04 1.64 2.05 1x79A1 LEU 293 HB3 0.07 0.05 0.18 -0.04 1.64 1.90 1x79A1 LEU 293 HG 0.01 -0.04 -0.06 -0.04 1.64 1.51 1x79A1 LEU 293 HD13 0.02 -0.01 0.02 -0.04 0.93 0.92 1x79A1 LEU 293 HD23 0.03 -0.00 0.02 -0.04 0.89 0.91 1x79A1 TYR 294 H 0.15 0.57 -0.09 -0.55 8.29 8.37 1x79A1 TYR 294 HA -0.12 -0.06 0.38 -0.75 4.56 4.01 1x79A1 TYR 294 HB2 -0.08 0.05 0.11 -0.04 3.06 3.09 1x79A1 TYR 294 HB3 -0.17 0.11 0.12 -0.04 2.98 3.00 1x79A1 TYR 294 HD2 -0.44 0.05 -0.26 -0.04 7.15 6.46 1x79A1 TYR 294 HE2 -0.35 -0.02 -0.15 -0.04 6.85 6.29 1x79A1 LYS 295 H 0.12 0.48 -0.27 -0.55 8.42 8.19 1x79A1 LYS 295 HA -0.01 -0.03 0.39 -0.75 4.32 3.92 1x79A1 LYS 295 HB2 0.07 0.12 0.12 -0.04 1.87 2.13 1x79A1 LYS 295 HB3 0.04 -0.05 0.00 -0.04 1.79 1.74 1x79A1 LYS 295 HG2 0.11 -0.06 0.00 -0.04 1.46 1.48 1x79A1 LYS 295 HG3 0.17 0.15 0.06 -0.04 1.46 1.80 1x79A1 LYS 295 HD2 0.09 -0.03 -0.01 -0.04 1.69 1.69 1x79A1 LYS 295 HD3 0.16 -0.04 -0.02 -0.04 1.68 1.74 1x79A1 LYS 295 HE2 0.14 0.08 -0.14 -0.04 2.99 3.03 1x79A1 LYS 295 HE3 0.08 0.00 -0.04 -0.04 2.99 3.00 1x79A1 GLN 296 H -0.00 0.47 -0.23 -0.55 8.47 8.16 1x79A1 GLN 296 HA -0.02 0.04 0.56 -0.75 4.36 4.19 1x79A1 GLN 296 HB2 -0.00 0.13 0.22 -0.04 2.15 2.46 1x79A1 GLN 296 HB3 -0.01 -0.08 0.03 -0.04 2.02 1.93 1x79A1 GLN 296 HG2 0.00 -0.06 0.04 -0.04 2.40 2.33 1x79A1 GLN 296 HG3 0.01 0.01 0.02 -0.04 2.39 2.39 1x79A1 GLN 296 HE21 0.02 -0.09 -0.09 -0.04 6.97 6.77 1x79A1 GLN 296 HE22 0.03 0.08 -0.03 -0.04 7.69 7.73 1x79A1 LEU 297 H -0.10 0.42 -0.02 -0.55 8.37 8.13 1x79A1 LEU 297 HA -0.05 0.17 0.83 -0.75 4.35 4.54 1x79A1 LEU 297 HB2 -0.08 -0.01 0.07 -0.04 1.64 1.58 1x79A1 LEU 297 HB3 -0.05 0.08 -0.06 -0.04 1.64 1.57 1x79A1 LEU 297 HG -0.02 -0.01 -0.01 -0.04 1.64 1.56 1x79A1 LEU 297 HD13 -0.02 -0.01 -0.20 -0.04 0.93 0.67 1x79A1 LEU 297 HD23 -0.01 -0.00 -0.07 -0.04 0.89 0.77 1x79A1 VAL 298 H -0.36 0.22 0.18 -0.55 8.24 7.72 1x79A1 VAL 298 HA -0.22 0.09 0.57 -0.75 4.13 3.81 1x79A1 VAL 298 HB -1.45 0.07 0.01 -0.04 2.12 0.72 1x79A1 VAL 298 HG13 -0.48 -0.02 0.11 -0.04 0.97 0.54 1x79A1 VAL 298 HG23 -0.70 -0.02 0.08 -0.04 0.95 0.27 1x79A1 ARG 299 H -0.18 0.02 -1.09 -0.55 8.46 6.67 1x79A1 ARG 299 HA -0.09 0.38 0.10 -0.75 4.34 3.98 1x79A1 ARG 299 HB2 -0.07 0.03 -0.33 -0.04 1.90 1.50 1x79A1 ARG 299 HB3 -0.05 -0.09 0.04 -0.04 1.80 1.66 1x79A1 ARG 299 HG2 -0.05 0.22 -0.08 -0.04 1.67 1.72 1x79A1 ARG 299 HG3 -0.03 -0.09 -0.01 -0.04 1.67 1.49 1x79A1 ARG 299 HD2 -0.02 -0.05 0.05 -0.04 3.22 3.15 1x79A1 ARG 299 HD3 -0.02 -0.11 0.03 -0.04 3.22 3.08