============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 11 rings ring int. center anis. iso. HIS 15 0.900 -0.306 34.669 49.821 -99.200 -91.000 TYR 21 0.840 -6.972 23.196 36.075 -99.200 -91.000 TYR 36 0.840 -6.475 54.457 53.657 -99.200 -91.000 PHE 40 1.000 2.422 52.658 62.666 -99.200 -91.000 TYR 50 0.840 -10.621 52.581 50.543 -99.200 -91.000 HIS 52 0.900 -14.254 44.100 56.563 -99.200 -91.000 HIS 78 0.900 -2.270 37.826 53.914 -99.200 -91.000 TYR 79 0.840 -9.260 41.610 55.175 -99.200 -91.000 TYR 135 0.840 4.340 30.585 37.679 -99.200 -91.000 PHE 136 1.000 3.892 33.911 29.622 -99.200 -91.000 PHE 138 1.000 -1.626 29.783 28.504 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1gn1G1 SER 212 HA -0.01 -0.03 0.15 -0.75 4.49 3.84 1gn1G1 SER 212 HB2 -0.01 -0.00 0.09 -0.04 3.95 3.98 1gn1G1 SER 212 HB3 -0.01 -0.09 0.05 -0.04 3.93 3.84 1gn1G1 CYS 213 H -0.01 -0.05 -0.06 -0.55 8.50 7.83 1gn1G1 CYS 213 HA -0.01 0.14 0.57 -0.75 4.58 4.54 1gn1G1 CYS 213 HB2 -0.02 -0.14 0.11 -0.04 2.97 2.89 1gn1G1 CYS 213 HB3 -0.01 0.05 0.15 -0.04 2.97 3.12 1gn1G1 VAL 214 H -0.01 0.21 0.11 -0.55 8.24 8.00 1gn1G1 VAL 214 HA -0.00 0.32 0.45 -0.75 4.13 4.14 1gn1G1 VAL 214 HB -0.00 0.22 0.03 -0.04 2.12 2.33 1gn1G1 VAL 214 HG13 -0.00 -0.04 -0.10 -0.04 0.97 0.79 1gn1G1 VAL 214 HG23 0.00 0.00 -0.03 -0.04 0.95 0.88 1gn1G1 LEU 215 H 0.00 0.30 0.16 -0.55 8.37 8.28 1gn1G1 LEU 215 HA 0.00 0.19 0.90 -0.75 4.35 4.69 1gn1G1 ARG 216 H 0.02 0.26 0.18 -0.55 8.46 8.37 1gn1G1 ARG 216 HA 0.02 0.31 0.91 -0.75 4.34 4.83 1gn1G1 ARG 216 HB2 0.01 -0.05 -0.16 -0.04 1.90 1.66 1gn1G1 ARG 216 HB3 0.01 -0.08 0.04 -0.04 1.80 1.73 1gn1G1 ARG 216 HG2 0.01 -0.06 -0.22 -0.04 1.67 1.36 1gn1G1 ARG 216 HG3 0.01 0.08 -0.43 -0.04 1.67 1.29 1gn1G1 ARG 216 HD2 0.01 -0.10 -0.01 -0.04 3.22 3.07 1gn1G1 ARG 216 HD3 0.01 0.37 0.06 -0.04 3.22 3.61 1gn1G1 GLY 217 H 0.03 0.65 0.22 -0.55 8.43 8.77 1gn1G1 GLY 217 HA2 0.02 -0.01 0.40 -0.51 4.01 3.91 1gn1G1 GLY 217 HA3 0.05 0.18 0.76 -0.51 4.01 4.49 1gn1G1 VAL 218 H 0.04 0.67 0.35 -0.55 8.24 8.75 1gn1G1 VAL 218 HA -0.00 0.17 0.89 -0.75 4.13 4.43 1gn1G1 VAL 218 HB 0.00 -0.04 0.05 -0.04 2.12 2.10 1gn1G1 VAL 218 HG13 -0.02 -0.01 -0.17 -0.04 0.97 0.73 1gn1G1 VAL 218 HG23 0.00 0.01 -0.28 -0.04 0.95 0.64 1gn1G1 MET 219 H -0.06 0.22 0.10 -0.55 8.47 8.19 1gn1G1 MET 219 HA -0.32 0.45 1.13 -0.75 4.52 5.03 1gn1G1 MET 219 HB2 -0.29 -0.01 -0.14 -0.04 2.15 1.67 1gn1G1 MET 219 HB3 -0.17 -0.03 0.08 -0.04 2.03 1.87 1gn1G1 MET 219 HG2 -0.31 -0.03 -0.39 -0.04 2.63 1.85 1gn1G1 MET 219 HG3 -1.26 0.08 -0.12 -0.04 2.56 1.22 1gn1G1 MET 219 HE3 -0.51 -0.01 -0.11 -0.04 2.10 1.42 1gn1G1 ILE 220 H -0.11 0.56 0.28 -0.55 8.25 8.43 1gn1G1 ILE 220 HA 0.02 0.20 1.09 -0.75 4.18 4.74 1gn1G1 ILE 220 HB 0.00 -0.01 -0.03 -0.04 1.89 1.81 1gn1G1 ILE 220 HG12 -0.03 0.07 0.03 -0.04 1.49 1.53 1gn1G1 ILE 220 HG13 -0.01 -0.06 -0.16 -0.04 1.21 0.94 1gn1G1 ILE 220 HG23 -0.02 -0.00 -0.24 -0.04 0.93 0.63 1gn1G1 ILE 220 HD13 -0.01 0.01 -0.18 -0.04 0.88 0.66 1gn1G1 ASN 221 H 0.09 0.13 0.12 -0.55 8.53 8.33 1gn1G1 ASN 221 HA -0.34 0.21 0.65 -0.75 4.76 4.53 1gn1G1 ASN 221 HB2 0.22 -0.03 0.17 -0.04 2.88 3.20 1gn1G1 ASN 221 HB3 -0.01 -0.03 0.28 -0.04 2.79 2.99 1gn1G1 ASN 221 HD21 -0.06 -0.02 0.03 -0.04 7.03 6.94 1gn1G1 ASN 221 HD22 0.05 -0.04 0.06 -0.04 7.74 7.78 1gn1G1 LYS 222 H -0.08 0.44 0.26 -0.55 8.42 8.49 1gn1G1 LYS 222 HA -0.07 0.14 0.63 -0.75 4.32 4.27 1gn1G1 LYS 222 HB2 -0.02 -0.08 -0.19 -0.04 1.87 1.54 1gn1G1 LYS 222 HB3 -0.02 0.06 -0.01 -0.04 1.79 1.78 1gn1G1 LYS 222 HG2 -0.03 0.22 -0.39 -0.04 1.46 1.21 1gn1G1 LYS 222 HG3 -0.02 -0.14 -0.23 -0.04 1.46 1.04 1gn1G1 LYS 222 HD2 -0.02 0.09 -0.12 -0.04 1.69 1.60 1gn1G1 LYS 222 HD3 -0.03 -0.04 0.07 -0.04 1.68 1.64 1gn1G1 LYS 222 HE2 -0.03 0.04 0.07 -0.04 2.99 3.03 1gn1G1 LYS 222 HE3 -0.02 0.04 -0.07 -0.04 2.99 2.91 1gn1G1 ASP 223 H -0.04 0.28 0.15 -0.55 8.40 8.23 1gn1G1 ASP 223 HA 0.02 0.14 0.62 -0.75 4.63 4.66 1gn1G1 ASP 223 HB2 -0.03 -0.04 -0.18 -0.04 2.71 2.42 1gn1G1 ASP 223 HB3 -0.13 0.02 -0.03 -0.04 2.70 2.53 1gn1G1 VAL 224 H -0.04 0.12 0.04 -0.55 8.24 7.81 1gn1G1 VAL 224 HA -0.01 0.15 0.41 -0.75 4.13 3.92 1gn1G1 VAL 224 HB 0.00 -0.10 0.07 -0.04 2.12 2.05 1gn1G1 VAL 224 HG13 0.02 0.04 -0.09 -0.04 0.97 0.90 1gn1G1 VAL 224 HG23 -0.05 0.02 -0.19 -0.04 0.95 0.68 1gn1G1 THR 225 H 0.00 0.40 0.33 -0.55 8.28 8.47 1gn1G1 THR 225 HA -0.02 0.12 0.57 -0.75 4.39 4.30 1gn1G1 THR 225 HB 0.02 -0.03 0.04 -0.04 4.32 4.30 1gn1G1 THR 225 HG23 0.00 0.05 -0.06 -0.04 1.22 1.18 1gn1G1 HIS 226 H 0.06 0.10 0.02 -0.55 8.41 8.04 1gn1G1 HIS 226 HA -0.05 0.30 0.98 -0.75 4.63 5.11 1gn1G1 HIS 226 HB2 -0.08 -0.02 -0.14 -0.04 3.26 2.99 1gn1G1 HIS 226 HB3 -0.08 0.00 0.03 -0.04 3.20 3.11 1gn1G1 HIS 226 HD2 -0.15 -0.02 -0.04 -0.04 6.97 6.71 1gn1G1 HIS 226 HE1 -0.04 0.04 -0.04 -0.04 7.75 7.67 1gn1G1 PRO 227 HA -0.02 0.10 0.30 -0.51 4.44 4.31 1gn1G1 PRO 227 HB2 -0.03 0.02 -0.01 -0.04 2.28 2.22 1gn1G1 PRO 227 HB3 -0.05 0.04 0.07 -0.04 2.02 2.05 1gn1G1 PRO 227 HG2 -0.20 0.03 0.06 -0.04 2.03 1.88 1gn1G1 PRO 227 HG3 -0.15 0.07 0.06 -0.04 2.03 1.96 1gn1G1 PRO 227 HD2 -1.04 0.07 0.13 -0.04 3.68 2.80 1gn1G1 PRO 227 HD3 -0.42 0.23 0.25 -0.04 3.65 3.67 1gn1G1 ARG 228 H 0.64 0.03 -0.39 -0.55 8.46 8.19 1gn1G1 ARG 228 HA 0.06 0.16 0.65 -0.75 4.34 4.46 1gn1G1 ARG 228 HB2 -0.12 0.01 -0.03 -0.04 1.90 1.71 1gn1G1 ARG 228 HB3 -0.01 0.03 0.13 -0.04 1.80 1.91 1gn1G1 ARG 228 HG2 0.16 -0.05 -0.09 -0.04 1.67 1.65 1gn1G1 ARG 228 HG3 0.14 -0.03 -0.03 -0.04 1.67 1.71 1gn1G1 ARG 228 HD2 0.02 -0.01 -0.02 -0.04 3.22 3.17 1gn1G1 ARG 228 HD3 0.01 0.04 0.01 -0.04 3.22 3.24 1gn1G1 MET 229 H 0.07 0.51 -0.25 -0.55 8.47 8.26 1gn1G1 MET 229 HA 0.00 0.15 0.73 -0.75 4.52 4.65 1gn1G1 MET 229 HB2 0.02 -0.02 0.09 -0.04 2.15 2.20 1gn1G1 MET 229 HB3 0.01 -0.01 0.06 -0.04 2.03 2.05 1gn1G1 MET 229 HG2 -0.03 0.14 -0.01 -0.04 2.63 2.69 1gn1G1 MET 229 HG3 0.02 -0.02 0.02 -0.04 2.56 2.54 1gn1G1 MET 229 HE3 -0.03 0.09 0.07 -0.04 2.10 2.20 1gn1G1 ARG 230 H 0.02 0.15 0.08 -0.55 8.46 8.16 1gn1G1 ARG 230 HA 0.05 0.04 0.44 -0.75 4.34 4.12 1gn1G1 ARG 230 HB2 0.04 0.02 0.08 -0.04 1.90 1.99 1gn1G1 ARG 230 HB3 0.07 0.01 -0.03 -0.04 1.80 1.82 1gn1G1 ARG 230 HG2 0.05 -0.03 0.09 -0.04 1.67 1.74 1gn1G1 ARG 230 HG3 0.03 0.02 0.09 -0.04 1.67 1.77 1gn1G1 ARG 230 HD2 0.07 0.13 0.10 -0.04 3.22 3.48 1gn1G1 ARG 230 HD3 0.05 -0.03 0.08 -0.04 3.22 3.27 1gn1G1 ARG 231 H 0.10 0.12 0.22 -0.55 8.46 8.35 1gn1G1 ARG 231 HA 0.08 0.19 0.92 -0.75 4.34 4.78 1gn1G1 ARG 231 HB2 0.13 -0.01 0.14 -0.04 1.90 2.12 1gn1G1 ARG 231 HB3 0.17 0.08 0.24 -0.04 1.80 2.24 1gn1G1 ARG 231 HG2 0.09 -0.09 0.04 -0.04 1.67 1.67 1gn1G1 ARG 231 HG3 0.07 0.14 -0.08 -0.04 1.67 1.76 1gn1G1 ARG 231 HD2 0.18 -0.02 0.04 -0.04 3.22 3.38 1gn1G1 ARG 231 HD3 0.30 0.27 0.12 -0.04 3.22 3.86 1gn1G1 TYR 232 H 0.17 0.10 0.03 -0.55 8.29 8.05 1gn1G1 TYR 232 HA 0.05 0.26 0.97 -0.75 4.56 5.08 1gn1G1 TYR 232 HB2 0.04 -0.02 -0.07 -0.04 3.06 2.97 1gn1G1 TYR 232 HB3 0.03 -0.02 0.12 -0.04 2.98 3.07 1gn1G1 TYR 232 HD2 0.02 -0.01 -0.18 -0.04 7.15 6.94 1gn1G1 TYR 232 HE2 0.00 -0.01 -0.08 -0.04 6.85 6.72 1gn1G1 ILE 233 H -0.30 0.60 0.19 -0.55 8.25 8.20 1gn1G1 ILE 233 HA 0.05 0.13 0.78 -0.75 4.18 4.39 1gn1G1 ILE 233 HB -0.04 -0.07 -0.03 -0.04 1.89 1.72 1gn1G1 ILE 233 HG12 0.04 0.10 -0.06 -0.04 1.49 1.54 1gn1G1 ILE 233 HG13 0.03 -0.16 -0.82 -0.04 1.21 0.22 1gn1G1 ILE 233 HG23 -0.00 0.00 -0.30 -0.04 0.93 0.59 1gn1G1 ILE 233 HD13 0.01 -0.01 -0.15 -0.04 0.88 0.69 1gn1G1 LYS 234 H 0.04 0.19 0.10 -0.55 8.42 8.20 1gn1G1 LYS 234 HA -0.07 0.13 0.83 -0.75 4.32 4.46 1gn1G1 ASN 235 H -0.02 0.44 0.01 -0.55 8.53 8.41 1gn1G1 ASN 235 HA -0.01 0.16 0.41 -0.75 4.76 4.57 1gn1G1 ASN 235 HB2 0.01 0.13 -0.07 -0.04 2.88 2.91 1gn1G1 ASN 235 HB3 0.00 0.01 0.21 -0.04 2.79 2.97 1gn1G1 ASN 235 HD21 0.00 -0.06 0.05 -0.04 7.03 6.98 1gn1G1 ASN 235 HD22 0.00 0.07 0.06 -0.04 7.74 7.83 1gn1G1 PRO 236 HA -0.01 0.06 0.39 -0.51 4.44 4.38 1gn1G1 PRO 236 HB2 -0.01 -0.03 -0.13 -0.04 2.28 2.07 1gn1G1 PRO 236 HB3 -0.01 -0.03 -0.12 -0.04 2.02 1.82 1gn1G1 PRO 236 HG2 -0.03 -0.06 -0.21 -0.04 2.03 1.69 1gn1G1 PRO 236 HG3 -0.04 0.13 -0.24 -0.04 2.03 1.84 1gn1G1 PRO 236 HD2 -0.02 0.40 -0.07 -0.04 3.68 3.95 1gn1G1 PRO 236 HD3 -0.03 -0.12 -0.22 -0.04 3.65 3.24 1gn1G1 ARG 237 H -0.00 0.07 0.16 -0.55 8.46 8.13 1gn1G1 ARG 237 HA -0.00 0.36 0.79 -0.75 4.34 4.73 1gn1G1 ARG 237 HB2 -0.00 -0.23 0.39 -0.04 1.90 2.02 1gn1G1 ARG 237 HB3 -0.00 0.10 0.15 -0.04 1.80 2.01 1gn1G1 ARG 237 HG2 -0.00 0.03 0.00 -0.04 1.67 1.67 1gn1G1 ARG 237 HG3 0.00 -0.00 0.04 -0.04 1.67 1.67 1gn1G1 ARG 237 HD2 0.00 -0.09 0.07 -0.04 3.22 3.16 1gn1G1 ARG 237 HD3 0.00 0.12 0.18 -0.04 3.22 3.48 1gn1G1 ILE 238 H -0.00 0.55 -0.05 -0.55 8.25 8.20 1gn1G1 ILE 238 HA -0.00 0.05 0.46 -0.75 4.18 3.93 1gn1G1 ILE 238 HB -0.00 0.03 0.03 -0.04 1.89 1.90 1gn1G1 ILE 238 HG12 -0.00 -0.06 -0.17 -0.04 1.49 1.22 1gn1G1 ILE 238 HG13 -0.00 0.14 -0.22 -0.04 1.21 1.08 1gn1G1 ILE 238 HG23 -0.00 -0.04 -0.28 -0.04 0.93 0.57 1gn1G1 ILE 238 HD13 -0.00 -0.02 -0.13 -0.04 0.88 0.68 1gn1G1 VAL 239 H -0.00 0.38 0.21 -0.55 8.24 8.28 1gn1G1 VAL 239 HA -0.00 0.16 0.92 -0.75 4.13 4.45 1gn1G1 VAL 239 HB -0.01 0.05 0.22 -0.04 2.12 2.34 1gn1G1 VAL 239 HG13 -0.01 -0.03 -0.20 -0.04 0.97 0.70 1gn1G1 VAL 239 HG23 -0.01 0.05 -0.15 -0.04 0.95 0.80 1gn1G1 LEU 240 H -0.00 0.20 0.03 -0.55 8.37 8.05 1gn1G1 LEU 240 HA -0.00 0.24 0.94 -0.75 4.35 4.78 1gn1G1 LEU 240 HB2 -0.00 -0.02 -0.08 -0.04 1.64 1.49 1gn1G1 LEU 240 HB3 -0.00 -0.01 -0.10 -0.04 1.64 1.48 1gn1G1 LEU 240 HG -0.00 0.02 -0.08 -0.04 1.64 1.53 1gn1G1 LEU 240 HD13 -0.00 -0.01 -0.33 -0.04 0.93 0.55 1gn1G1 LEU 240 HD23 -0.00 -0.01 -0.22 -0.04 0.89 0.62 1gn1G1 LEU 241 H -0.00 0.64 0.46 -0.55 8.37 8.93 1gn1G1 LEU 241 HA -0.01 0.31 1.03 -0.75 4.35 4.92 1gn1G1 LEU 241 HB2 -0.01 -0.01 0.06 -0.04 1.64 1.64 1gn1G1 LEU 241 HB3 -0.01 -0.15 0.14 -0.04 1.64 1.59 1gn1G1 LEU 241 HG -0.01 0.05 -0.43 -0.04 1.64 1.21 1gn1G1 LEU 241 HD13 -0.02 -0.01 -0.15 -0.04 0.93 0.71 1gn1G1 LEU 241 HD23 -0.01 0.06 -0.18 -0.04 0.89 0.71 1gn1G1 ASP 242 H -0.00 0.46 0.38 -0.55 8.40 8.69 1gn1G1 ASP 242 HA -0.00 0.02 0.94 -0.75 4.63 4.84 1gn1G1 ASP 242 HB2 -0.00 -0.03 0.13 -0.04 2.71 2.77 1gn1G1 ASP 242 HB3 -0.00 0.04 -0.10 -0.04 2.70 2.60 1gn1G1 SER 243 H -0.00 0.13 0.21 -0.55 8.46 8.25 1gn1G1 SER 243 HA 0.00 0.15 0.82 -0.75 4.49 4.70 1gn1G1 SER 243 HB2 0.01 -0.08 0.14 -0.04 3.95 3.98 1gn1G1 SER 243 HB3 0.00 -0.06 0.12 -0.04 3.93 3.95 1gn1G1 SER 244 H 0.02 0.13 0.17 -0.55 8.46 8.23 1gn1G1 SER 244 HA 0.01 0.16 0.73 -0.75 4.49 4.63 1gn1G1 SER 244 HB2 0.02 0.03 0.08 -0.04 3.95 4.03 1gn1G1 SER 244 HB3 0.04 0.00 0.06 -0.04 3.93 3.99 1gn1G1 LEU 245 H 0.01 0.80 0.22 -0.55 8.37 8.86 1gn1G1 LEU 245 HA -0.03 0.19 0.75 -0.75 4.35 4.51 1gn1G1 LEU 245 HB2 -0.00 0.12 0.33 -0.04 1.64 2.05 1gn1G1 LEU 245 HB3 -0.02 -0.10 0.27 -0.04 1.64 1.74 1gn1G1 LEU 245 HG -0.02 0.03 -0.20 -0.04 1.64 1.41 1gn1G1 LEU 245 HD13 -0.02 0.01 -0.11 -0.04 0.93 0.77 1gn1G1 LEU 245 HD23 -0.06 0.02 -0.05 -0.04 0.89 0.76 1gn1G1 GLU 246 H 0.08 0.24 -0.41 -0.55 8.60 7.96 1gn1G1 GLU 246 HA 0.08 0.09 0.73 -0.75 4.29 4.43 1gn1G1 GLU 246 HB2 0.06 0.01 -0.10 -0.04 2.09 2.02 1gn1G1 GLU 246 HB3 0.08 -0.02 0.09 -0.04 1.99 2.10 1gn1G1 GLU 246 HG2 0.04 0.02 -0.23 -0.04 2.34 2.12 1gn1G1 GLU 246 HG3 0.03 -0.05 -0.84 -0.04 2.34 1.45 1gn1G1 TYR 247 H 0.17 0.25 0.09 -0.55 8.29 8.24 1gn1G1 TYR 247 HA 0.07 0.09 0.66 -0.75 4.56 4.62 1gn1G1 TYR 247 HB2 0.25 0.09 -0.07 -0.04 3.06 3.28 1gn1G1 TYR 247 HB3 0.04 -0.02 0.11 -0.04 2.98 3.08 1gn1G1 TYR 247 HD2 -0.08 0.02 -0.12 -0.04 7.15 6.93 1gn1G1 TYR 247 HE2 -0.13 0.03 -0.10 -0.04 6.85 6.60 1gn1G1 LYS 248 H -0.44 0.16 0.01 -0.55 8.42 7.60 1gn1G1 LYS 248 HA -0.23 0.08 0.17 -0.75 4.32 3.59 1gn1G1 GLU 262 HA 0.05 -0.12 0.27 -0.75 4.29 3.73 1gn1G1 GLU 262 HB2 0.03 0.08 0.09 -0.04 2.09 2.25 1gn1G1 GLU 262 HB3 0.07 -0.21 -0.04 -0.04 1.99 1.78 1gn1G1 GLU 262 HG2 0.03 -0.02 0.05 -0.04 2.34 2.36 1gn1G1 GLU 262 HG3 0.02 0.06 0.04 -0.04 2.34 2.43 1gn1G1 ASP 263 H 0.07 0.10 0.19 -0.55 8.40 8.21 1gn1G1 ASP 263 HA 0.03 0.24 0.86 -0.75 4.63 5.01 1gn1G1 PHE 264 H 0.19 0.12 0.20 -0.55 8.34 8.30 1gn1G1 PHE 264 HA -0.00 0.09 0.74 -0.75 4.62 4.70 1gn1G1 PHE 264 HB2 -0.00 0.05 0.18 -0.04 3.15 3.34 1gn1G1 PHE 264 HB3 -0.00 0.01 0.12 -0.04 3.06 3.14 1gn1G1 PHE 264 HD2 -0.00 0.01 -0.13 -0.04 7.28 7.11 1gn1G1 PHE 264 HE2 -0.01 0.03 -0.02 -0.04 7.38 7.35 1gn1G1 PHE 264 HZ -0.01 0.03 -0.01 -0.04 7.32 7.30 1gn1G1 THR 265 H 0.15 0.08 -0.48 -0.55 8.28 7.48 1gn1G1 THR 265 HA -0.00 0.11 0.49 -0.75 4.39 4.23 1gn1G1 ARG 266 H 0.00 0.24 -0.53 -0.55 8.46 7.62 1gn1G1 ARG 266 HA -0.02 0.13 0.55 -0.75 4.34 4.24 1gn1G1 ILE 267 H -0.08 0.46 0.25 -0.55 8.25 8.33 1gn1G1 ILE 267 HA -0.06 0.06 0.48 -0.75 4.18 3.91 1gn1G1 ILE 267 HB -0.05 0.03 0.47 -0.04 1.89 2.30 1gn1G1 ILE 267 HG12 -0.21 0.02 -0.32 -0.04 1.49 0.94 1gn1G1 ILE 267 HG13 -0.05 -0.03 0.00 -0.04 1.21 1.10 1gn1G1 ILE 267 HG23 -0.20 0.13 1.17 -0.04 0.93 1.99 1gn1G1 ILE 267 HD13 -0.08 0.01 0.09 -0.04 0.88 0.85 1gn1G1 LEU 268 H -0.29 0.43 -0.36 -0.55 8.37 7.59 1gn1G1 LEU 268 HA -0.25 -0.00 0.32 -0.75 4.35 3.66 1gn1G1 LEU 268 HB2 -0.38 0.26 0.13 -0.04 1.64 1.61 1gn1G1 LEU 268 HB3 -0.15 0.07 -0.14 -0.04 1.64 1.38 1gn1G1 LEU 268 HG -0.16 -0.04 0.00 -0.04 1.64 1.41 1gn1G1 LEU 268 HD13 -0.53 0.00 0.01 -0.04 0.93 0.37 1gn1G1 LEU 268 HD23 -0.04 0.01 -0.04 -0.04 0.89 0.77 1gn1G1 GLN 269 H -0.11 0.24 -0.77 -0.55 8.47 7.28 1gn1G1 GLN 269 HA -0.07 0.00 0.41 -0.75 4.36 3.95 1gn1G1 GLN 269 HB2 -0.04 0.33 0.23 -0.04 2.15 2.62 1gn1G1 GLN 269 HB3 -0.05 0.21 0.19 -0.04 2.02 2.33 1gn1G1 GLN 269 HG2 -0.03 -0.05 -0.05 -0.04 2.40 2.23 1gn1G1 GLN 269 HG3 -0.03 -0.05 0.08 -0.04 2.39 2.35 1gn1G1 GLN 269 HE21 -0.00 -0.01 0.00 -0.04 6.97 6.92 1gn1G1 GLN 269 HE22 -0.01 -0.03 0.00 -0.04 7.69 7.62 1gn1G1 MET 270 H -0.14 0.42 -0.32 -0.55 8.47 7.89 1gn1G1 MET 270 HA -0.06 0.04 0.52 -0.75 4.52 4.26 1gn1G1 MET 270 HB2 -0.16 0.17 0.26 -0.04 2.15 2.38 1gn1G1 MET 270 HB3 0.01 -0.08 0.01 -0.04 2.03 1.93 1gn1G1 MET 270 HG2 0.01 -0.04 0.03 -0.04 2.63 2.59 1gn1G1 MET 270 HG3 -0.03 0.30 0.07 -0.04 2.56 2.85 1gn1G1 MET 270 HE3 0.07 -0.01 -0.01 -0.04 2.10 2.11 1gn1G1 GLU 271 H -0.50 0.62 0.08 -0.55 8.60 8.25 1gn1G1 GLU 271 HA -1.52 -0.04 0.34 -0.75 4.29 2.32 1gn1G1 GLU 271 HB2 -0.56 0.01 0.08 -0.04 2.09 1.57 1gn1G1 GLU 271 HB3 -0.32 0.13 0.11 -0.04 1.99 1.86 1gn1G1 GLU 271 HG2 -0.16 0.02 -0.24 -0.04 2.34 1.92 1gn1G1 GLU 271 HG3 -0.15 -0.09 0.07 -0.04 2.34 2.12 1gn1G1 GLU 272 H -0.19 0.28 -0.83 -0.55 8.60 7.32 1gn1G1 GLU 272 HA -0.10 0.01 0.50 -0.75 4.29 3.94 1gn1G1 GLU 272 HB2 -0.08 0.13 0.06 -0.04 2.09 2.15 1gn1G1 GLU 272 HB3 -0.05 0.13 0.11 -0.04 1.99 2.14 1gn1G1 GLU 272 HG2 -0.00 -0.06 -0.03 -0.04 2.34 2.20 1gn1G1 GLU 272 HG3 -0.01 0.02 -0.04 -0.04 2.34 2.27 1gn1G1 GLU 273 H -0.04 0.47 0.08 -0.55 8.60 8.57 1gn1G1 GLU 273 HA 0.08 0.02 0.37 -0.75 4.29 4.00 1gn1G1 TYR 274 H 0.12 0.45 -0.45 -0.55 8.29 7.86 1gn1G1 TYR 274 HA 0.06 0.05 0.45 -0.75 4.56 4.37 1gn1G1 TYR 274 HB2 0.23 0.04 0.04 -0.04 3.06 3.34 1gn1G1 TYR 274 HB3 0.13 0.00 0.08 -0.04 2.98 3.16 1gn1G1 TYR 274 HD2 0.19 0.01 0.02 -0.04 7.15 7.33 1gn1G1 TYR 274 HE2 0.02 0.11 0.09 -0.04 6.85 7.03 1gn1G1 ILE 275 H 0.06 0.37 -0.02 -0.55 8.25 8.11 1gn1G1 ILE 275 HA -0.25 -0.01 0.28 -0.75 4.18 3.45 1gn1G1 ILE 275 HB -0.20 0.12 0.05 -0.04 1.89 1.83 1gn1G1 ILE 275 HG12 0.07 0.17 0.10 -0.04 1.49 1.78 1gn1G1 ILE 275 HG13 -0.04 -0.12 0.02 -0.04 1.21 1.02 1gn1G1 ILE 275 HG23 -0.25 -0.04 -0.12 -0.04 0.93 0.47 1gn1G1 ILE 275 HD13 -0.01 -0.05 -0.19 -0.04 0.88 0.59 1gn1G1 HIS 276 H 0.02 0.58 -0.52 -0.55 8.41 7.93 1gn1G1 HIS 276 HA -0.09 0.02 0.43 -0.75 4.63 4.24 1gn1G1 HIS 276 HB2 0.08 -0.02 -0.00 -0.04 3.26 3.28 1gn1G1 HIS 276 HB3 0.02 0.12 0.07 -0.04 3.20 3.37 1gn1G1 HIS 276 HD2 0.04 0.02 -0.04 -0.04 6.97 6.94 1gn1G1 HIS 276 HE1 0.06 0.03 -0.04 -0.04 7.75 7.75 1gn1G1 GLN 277 H -0.00 0.46 -0.03 -0.55 8.47 8.35 1gn1G1 GLN 277 HA -0.21 0.02 0.34 -0.75 4.36 3.75 1gn1G1 GLN 277 HB2 0.01 0.13 0.23 -0.04 2.15 2.49 1gn1G1 GLN 277 HB3 -0.08 0.01 0.18 -0.04 2.02 2.09 1gn1G1 GLN 277 HG2 0.01 -0.03 0.02 -0.04 2.40 2.36 1gn1G1 GLN 277 HG3 -0.05 -0.04 -0.11 -0.04 2.39 2.15 1gn1G1 GLN 277 HE21 -0.05 0.03 -0.01 -0.04 6.97 6.90 1gn1G1 GLN 277 HE22 -0.06 -0.03 0.01 -0.04 7.69 7.57 1gn1G1 LEU 278 H -0.24 0.52 -0.10 -0.55 8.37 8.01 1gn1G1 LEU 278 HA -0.15 -0.03 0.36 -0.75 4.35 3.77 1gn1G1 LEU 278 HB2 -0.38 0.07 0.07 -0.04 1.64 1.35 1gn1G1 LEU 278 HB3 -0.19 0.03 -0.04 -0.04 1.64 1.40 1gn1G1 LEU 278 HG -0.18 -0.05 0.07 -0.04 1.64 1.44 1gn1G1 LEU 278 HD13 -0.74 -0.01 -0.01 -0.04 0.93 0.13 1gn1G1 LEU 278 HD23 -0.19 0.02 0.05 -0.04 0.89 0.73 1gn1G1 CYS 279 H -0.14 0.55 -0.20 -0.55 8.50 8.16 1gn1G1 CYS 279 HA -0.05 -0.02 0.40 -0.75 4.58 4.16 1gn1G1 CYS 279 HB2 -0.00 0.18 0.21 -0.04 2.97 3.32 1gn1G1 CYS 279 HB3 0.08 -0.02 -0.04 -0.04 2.97 2.94 1gn1G1 GLU 280 H -0.15 0.68 -0.05 -0.55 8.60 8.53 1gn1G1 GLU 280 HA -0.05 0.02 0.40 -0.75 4.29 3.91 1gn1G1 ASP 281 H -0.09 0.55 -0.27 -0.55 8.40 8.05 1gn1G1 ASP 281 HA -0.04 0.03 0.34 -0.75 4.63 4.20 1gn1G1 ASP 281 HB2 -0.06 0.13 0.07 -0.04 2.71 2.80 1gn1G1 ASP 281 HB3 -0.04 0.07 -0.34 -0.04 2.70 2.35 1gn1G1 ILE 282 H -0.04 0.34 -0.23 -0.55 8.25 7.77 1gn1G1 ILE 282 HA -0.02 0.04 0.40 -0.75 4.18 3.84 1gn1G1 ILE 282 HB -0.02 0.09 0.14 -0.04 1.89 2.07 1gn1G1 ILE 282 HG12 -0.03 -0.06 -0.03 -0.04 1.49 1.33 1gn1G1 ILE 282 HG13 -0.05 0.29 0.09 -0.04 1.21 1.50 1gn1G1 ILE 282 HG23 -0.01 -0.01 -0.18 -0.04 0.93 0.68 1gn1G1 ILE 282 HD13 -0.03 -0.04 -0.10 -0.04 0.88 0.67 1gn1G1 ILE 283 H -0.02 0.69 0.05 -0.55 8.25 8.42 1gn1G1 ILE 283 HA -0.00 0.07 0.35 -0.75 4.18 3.84 1gn1G1 ILE 283 HB -0.01 0.01 0.06 -0.04 1.89 1.91 1gn1G1 ILE 283 HG12 0.02 0.01 -0.03 -0.04 1.49 1.44 1gn1G1 ILE 283 HG13 0.01 0.11 0.09 -0.04 1.21 1.37 1gn1G1 ILE 283 HG23 0.00 0.00 -0.01 -0.04 0.93 0.89 1gn1G1 ILE 283 HD13 0.05 -0.07 -0.30 -0.04 0.88 0.52 1gn1G1 GLN 284 H -0.02 0.47 -0.55 -0.55 8.47 7.82 1gn1G1 GLN 284 HA -0.01 -0.07 0.32 -0.75 4.36 3.84 1gn1G1 LEU 285 H -0.01 0.48 -0.47 -0.55 8.37 7.82 1gn1G1 LEU 285 HA -0.01 0.09 0.71 -0.75 4.35 4.39 1gn1G1 LEU 285 HB2 -0.01 0.10 0.04 -0.04 1.64 1.73 1gn1G1 LEU 285 HB3 -0.01 -0.04 0.11 -0.04 1.64 1.66 1gn1G1 LEU 285 HG -0.01 -0.09 -0.17 -0.04 1.64 1.33 1gn1G1 LEU 285 HD13 -0.01 -0.04 -0.14 -0.04 0.93 0.70 1gn1G1 LEU 285 HD23 -0.01 -0.04 -0.07 -0.04 0.89 0.73 1gn1G1 LYS 286 H -0.00 0.73 -0.27 -0.55 8.42 8.32 1gn1G1 LYS 286 HA -0.00 0.06 0.37 -0.75 4.32 4.00 1gn1G1 LYS 286 HB2 -0.00 0.01 -0.06 -0.04 1.87 1.78 1gn1G1 LYS 286 HB3 -0.00 -0.05 0.17 -0.04 1.79 1.86 1gn1G1 LYS 286 HG2 -0.00 0.03 0.05 -0.04 1.46 1.50 1gn1G1 LYS 286 HG3 -0.00 0.07 -0.07 -0.04 1.46 1.41 1gn1G1 LYS 286 HD2 -0.00 -0.04 -0.01 -0.04 1.69 1.61 1gn1G1 LYS 286 HD3 -0.00 -0.02 0.02 -0.04 1.68 1.63 1gn1G1 LYS 286 HE2 -0.00 -0.01 0.00 -0.04 2.99 2.95 1gn1G1 LYS 286 HE3 -0.00 0.02 -0.00 -0.04 2.99 2.97 1gn1G1 PRO 287 HA -0.00 0.10 0.68 -0.51 4.44 4.71 1gn1G1 PRO 287 HB2 -0.00 0.06 -0.01 -0.04 2.28 2.29 1gn1G1 PRO 287 HB3 -0.00 0.01 -0.06 -0.04 2.02 1.93 1gn1G1 PRO 287 HG2 -0.00 -0.04 -0.21 -0.04 2.03 1.73 1gn1G1 PRO 287 HG3 -0.01 -0.01 -0.16 -0.04 2.03 1.81 1gn1G1 PRO 287 HD2 -0.00 0.04 0.10 -0.04 3.68 3.78 1gn1G1 PRO 287 HD3 -0.00 0.06 -0.34 -0.04 3.65 3.33 1gn1G1 ASP 288 H -0.00 0.19 0.26 -0.55 8.40 8.30 1gn1G1 ASP 288 HA 0.00 0.32 0.84 -0.75 4.63 5.03 1gn1G1 ASP 288 HB2 0.00 -0.21 0.11 -0.04 2.71 2.57 1gn1G1 ASP 288 HB3 0.00 -0.01 0.02 -0.04 2.70 2.67 1gn1G1 VAL 289 H -0.00 0.19 0.02 -0.55 8.24 7.91 1gn1G1 VAL 289 HA 0.00 0.36 0.97 -0.75 4.13 4.71 1gn1G1 VAL 289 HB -0.00 -0.09 -0.09 -0.04 2.12 1.89 1gn1G1 VAL 289 HG13 0.00 -0.01 -0.29 -0.04 0.97 0.63 1gn1G1 VAL 289 HG23 0.00 -0.01 -0.27 -0.04 0.95 0.63 1gn1G1 VAL 290 H 0.00 0.72 0.26 -0.55 8.24 8.67 1gn1G1 VAL 290 HA -0.00 0.27 0.93 -0.75 4.13 4.56 1gn1G1 VAL 290 HB -0.00 -0.05 0.04 -0.04 2.12 2.06 1gn1G1 VAL 290 HG13 -0.01 -0.02 -0.20 -0.04 0.97 0.71 1gn1G1 VAL 290 HG23 -0.00 0.01 -0.28 -0.04 0.95 0.64 1gn1G1 ILE 291 H -0.00 0.62 0.25 -0.55 8.25 8.56 1gn1G1 ILE 291 HA -0.00 0.25 1.10 -0.75 4.18 4.78 1gn1G1 ILE 291 HB -0.00 -0.04 0.01 -0.04 1.89 1.82 1gn1G1 ILE 291 HG12 0.00 0.02 -0.24 -0.04 1.49 1.23 1gn1G1 ILE 291 HG13 -0.00 -0.03 -0.33 -0.04 1.21 0.80 1gn1G1 ILE 291 HG23 -0.00 -0.00 -0.17 -0.04 0.93 0.71 1gn1G1 ILE 291 HD13 -0.00 -0.00 -0.20 -0.04 0.88 0.64 1gn1G1 THR 292 H -0.00 0.59 0.32 -0.55 8.28 8.63 1gn1G1 THR 292 HA -0.00 0.34 1.02 -0.75 4.39 5.00 1gn1G1 THR 292 HB -0.01 0.05 -0.18 -0.04 4.32 4.14 1gn1G1 THR 292 HG23 -0.00 0.05 -0.22 -0.04 1.22 1.01 1gn1G1 GLU 293 H -0.00 0.29 0.13 -0.55 8.60 8.47 1gn1G1 GLU 293 HA -0.00 0.29 0.58 -0.75 4.29 4.40 1gn1G1 GLU 293 HB2 -0.00 -0.01 0.13 -0.04 2.09 2.17 1gn1G1 GLU 293 HB3 -0.00 -0.05 0.04 -0.04 1.99 1.94 1gn1G1 GLU 293 HG2 -0.00 0.15 -0.13 -0.04 2.34 2.31 1gn1G1 GLU 293 HG3 -0.00 0.09 0.07 -0.04 2.34 2.45 1gn1G1 LYS 294 H -0.00 0.09 -0.30 -0.55 8.42 7.65 1gn1G1 LYS 294 HA 0.00 0.24 0.72 -0.75 4.32 4.52 1gn1G1 GLY 295 H 0.01 0.05 0.08 -0.55 8.43 8.02 1gn1G1 GLY 295 HA2 0.00 0.24 0.76 -0.51 4.01 4.50 1gn1G1 GLY 295 HA3 0.01 0.04 0.24 -0.51 4.01 3.79 1gn1G1 ILE 296 H 0.01 0.27 0.07 -0.55 8.25 8.05 1gn1G1 ILE 296 HA 0.01 0.15 0.88 -0.75 4.18 4.46 1gn1G1 ILE 296 HB 0.01 -0.00 0.04 -0.04 1.89 1.90 1gn1G1 ILE 296 HG12 -0.00 0.06 -0.19 -0.04 1.49 1.31 1gn1G1 ILE 296 HG13 0.00 -0.13 -0.55 -0.04 1.21 0.49 1gn1G1 ILE 296 HG23 0.01 0.05 -0.11 -0.04 0.93 0.84 1gn1G1 ILE 296 HD13 0.00 0.03 -0.27 -0.04 0.88 0.60 1gn1G1 SER 297 H 0.01 0.91 0.32 -0.55 8.46 9.16 1gn1G1 SER 297 HA 0.03 0.08 0.45 -0.75 4.49 4.29 1gn1G1 SER 297 HB2 0.02 -0.05 0.20 -0.04 3.95 4.08 1gn1G1 SER 297 HB3 0.04 0.00 0.28 -0.04 3.93 4.21 1gn1G1 ASP 298 H 0.04 0.16 0.21 -0.55 8.40 8.27 1gn1G1 ASP 298 HA 0.11 0.16 0.46 -0.75 4.63 4.61 1gn1G1 ASP 298 HB2 0.06 -0.05 0.15 -0.04 2.71 2.83 1gn1G1 ASP 298 HB3 0.14 0.06 0.01 -0.04 2.70 2.86 1gn1G1 LEU 299 H 0.02 0.05 -0.11 -0.55 8.37 7.79 1gn1G1 LEU 299 HA 0.09 0.13 0.39 -0.75 4.35 4.20 1gn1G1 LEU 299 HB2 -0.04 0.01 0.06 -0.04 1.64 1.63 1gn1G1 LEU 299 HB3 -0.11 -0.05 0.03 -0.04 1.64 1.47 1gn1G1 LEU 299 HG -0.60 0.03 -0.25 -0.04 1.64 0.78 1gn1G1 LEU 299 HD13 0.18 0.01 -0.01 -0.04 0.93 1.07 1gn1G1 LEU 299 HD23 -0.15 0.02 -0.05 -0.04 0.89 0.66 1gn1G1 ALA 300 H -0.04 0.01 -0.32 -0.55 8.40 7.51 1gn1G1 ALA 300 HA -0.14 0.09 0.34 -0.75 4.34 3.86 1gn1G1 ALA 300 HB3 -0.04 0.04 0.07 -0.04 1.41 1.44 1gn1G1 GLN 301 H 0.06 0.50 -0.24 -0.55 8.47 8.24 1gn1G1 GLN 301 HA 0.02 0.01 0.33 -0.75 4.36 3.97 1gn1G1 GLN 301 HB2 0.10 0.12 0.12 -0.04 2.15 2.45 1gn1G1 GLN 301 HB3 0.02 -0.05 -0.05 -0.04 2.02 1.90 1gn1G1 GLN 301 HG2 0.03 -0.07 -0.04 -0.04 2.40 2.28 1gn1G1 GLN 301 HG3 0.06 0.22 -0.08 -0.04 2.39 2.55 1gn1G1 GLN 301 HE21 0.03 0.07 -0.01 -0.04 6.97 7.01 1gn1G1 GLN 301 HE22 0.04 0.10 -0.08 -0.04 7.69 7.71 1gn1G1 HIS 302 H 0.23 0.49 -0.19 -0.55 8.41 8.39 1gn1G1 HIS 302 HA -0.04 0.01 0.40 -0.75 4.63 4.24 1gn1G1 HIS 302 HB2 0.16 0.10 0.16 -0.04 3.26 3.64 1gn1G1 HIS 302 HB3 0.11 -0.01 -0.06 -0.04 3.20 3.20 1gn1G1 HIS 302 HD2 -0.02 0.02 -0.00 -0.04 6.97 6.93 1gn1G1 HIS 302 HE1 0.16 -0.03 -0.02 -0.04 7.75 7.82 1gn1G1 TYR 303 H 0.41 0.41 -0.20 -0.55 8.29 8.36 1gn1G1 TYR 303 HA 0.04 0.07 0.54 -0.75 4.56 4.45 1gn1G1 TYR 303 HB2 0.03 0.05 0.15 -0.04 3.06 3.24 1gn1G1 TYR 303 HB3 0.03 0.00 -0.04 -0.04 2.98 2.93 1gn1G1 TYR 303 HD2 0.11 0.03 -0.03 -0.04 7.15 7.22 1gn1G1 TYR 303 HE2 0.12 -0.04 -0.05 -0.04 6.85 6.84 1gn1G1 LEU 304 H 0.11 0.61 0.00 -0.55 8.37 8.55 1gn1G1 LEU 304 HA 0.04 0.07 0.33 -0.75 4.35 4.04 1gn1G1 LEU 304 HB2 0.01 0.03 0.11 -0.04 1.64 1.75 1gn1G1 LEU 304 HB3 0.01 0.06 -0.09 -0.04 1.64 1.58 1gn1G1 LEU 304 HG 0.04 0.09 0.04 -0.04 1.64 1.76 1gn1G1 LEU 304 HD13 0.00 -0.03 -0.15 -0.04 0.93 0.71 1gn1G1 LEU 304 HD23 0.01 0.00 -0.08 -0.04 0.89 0.79 1gn1G1 MET 305 H -0.03 0.71 -0.07 -0.55 8.47 8.54 1gn1G1 MET 305 HA -0.06 0.07 0.40 -0.75 4.52 4.18 1gn1G1 MET 305 HB2 -0.20 0.04 0.09 -0.04 2.15 2.04 1gn1G1 MET 305 HB3 -0.22 0.04 0.08 -0.04 2.03 1.88 1gn1G1 MET 305 HG2 -0.25 0.01 -0.15 -0.04 2.63 2.19 1gn1G1 MET 305 HG3 -0.15 0.04 -0.10 -0.04 2.56 2.30 1gn1G1 MET 305 HE3 -1.12 0.00 -0.11 -0.04 2.10 0.84 1gn1G1 ARG 306 H -0.02 0.30 -0.58 -0.55 8.46 7.60 1gn1G1 ARG 306 HA -0.04 -0.01 0.44 -0.75 4.34 3.97 1gn1G1 ARG 306 HB2 -0.04 0.15 0.21 -0.04 1.90 2.18 1gn1G1 ARG 306 HB3 -0.05 0.17 0.18 -0.04 1.80 2.06 1gn1G1 ARG 306 HG2 -0.06 0.01 0.04 -0.04 1.67 1.61 1gn1G1 ARG 306 HG3 -0.06 -0.07 0.09 -0.04 1.67 1.60 1gn1G1 ARG 306 HD2 -0.23 0.00 0.01 -0.04 3.22 2.96 1gn1G1 ARG 306 HD3 -0.14 -0.06 0.00 -0.04 3.22 2.98 1gn1G1 ALA 307 H -0.01 0.38 -0.58 -0.55 8.40 7.64 1gn1G1 ALA 307 HA -0.01 0.11 0.80 -0.75 4.34 4.48 1gn1G1 ALA 307 HB3 0.00 -0.01 0.09 -0.04 1.41 1.46 1gn1G1 ASN 308 H -0.02 0.31 -0.39 -0.55 8.53 7.89 1gn1G1 ASN 308 HA -0.01 0.01 0.32 -0.75 4.76 4.32 1gn1G1 ASN 308 HB2 -0.01 -0.05 -0.12 -0.04 2.88 2.66 1gn1G1 ASN 308 HB3 -0.00 0.21 0.00 -0.04 2.79 2.96 1gn1G1 ASN 308 HD21 0.01 -0.07 0.07 -0.04 7.03 7.00 1gn1G1 ASN 308 HD22 0.00 0.02 0.04 -0.04 7.74 7.77 1gn1G1 VAL 309 H -0.01 0.39 -0.12 -0.55 8.24 7.96 1gn1G1 VAL 309 HA 0.00 0.35 0.91 -0.75 4.13 4.63 1gn1G1 VAL 309 HB 0.00 -0.11 -0.04 -0.04 2.12 1.93 1gn1G1 VAL 309 HG13 0.00 -0.04 -0.51 -0.04 0.97 0.38 1gn1G1 VAL 309 HG23 0.00 0.12 -0.21 -0.04 0.95 0.82 1gn1G1 THR 310 H 0.00 0.81 0.32 -0.55 8.28 8.87 1gn1G1 THR 310 HA 0.00 -0.00 0.64 -0.75 4.39 4.27 1gn1G1 THR 310 HB 0.01 0.03 0.11 -0.04 4.32 4.43 1gn1G1 THR 310 HG23 0.01 -0.05 -0.22 -0.04 1.22 0.92 1gn1G1 ALA 311 H 0.00 0.07 0.22 -0.55 8.40 8.15 1gn1G1 ALA 311 HA 0.00 0.40 1.15 -0.75 4.34 5.14 1gn1G1 ALA 311 HB3 0.00 -0.01 -0.03 -0.04 1.41 1.33 1gn1G1 ILE 312 H -0.00 0.67 0.36 -0.55 8.25 8.73 1gn1G1 ILE 312 HA -0.01 0.18 0.90 -0.75 4.18 4.50 1gn1G1 ILE 312 HB -0.00 -0.07 0.02 -0.04 1.89 1.80 1gn1G1 ILE 312 HG12 0.00 0.07 -0.39 -0.04 1.49 1.13 1gn1G1 ILE 312 HG13 0.00 -0.05 -0.48 -0.04 1.21 0.64 1gn1G1 ILE 312 HG23 -0.01 0.05 -0.17 -0.04 0.93 0.76 1gn1G1 ILE 312 HD13 0.01 -0.00 -0.27 -0.04 0.88 0.58 1gn1G1 ARG 313 H -0.01 0.22 0.13 -0.55 8.46 8.25 1gn1G1 ARG 313 HA -0.00 0.22 1.09 -0.75 4.34 4.89 1gn1G1 ARG 313 HB2 -0.00 0.09 0.14 -0.04 1.90 2.09 1gn1G1 ARG 313 HB3 -0.00 -0.05 -0.14 -0.04 1.80 1.58 1gn1G1 ARG 313 HG2 -0.00 -0.02 -0.01 -0.04 1.67 1.59 1gn1G1 ARG 313 HG3 -0.01 -0.00 0.07 -0.04 1.67 1.69 1gn1G1 ARG 313 HD2 -0.01 0.07 -0.25 -0.04 3.22 2.99 1gn1G1 ARG 313 HD3 -0.00 -0.10 -0.06 -0.04 3.22 3.02 1gn1G1 ARG 314 H -0.00 0.73 0.05 -0.55 8.46 8.69 1gn1G1 ARG 314 HA -0.00 0.35 0.16 -0.75 4.34 4.09 1gn1G1 VAL 315 H -0.00 0.50 -0.11 -0.55 8.24 8.08 1gn1G1 VAL 315 HA -0.01 0.05 0.42 -0.75 4.13 3.84 1gn1G1 VAL 315 HB -0.00 -0.00 -0.20 -0.04 2.12 1.87 1gn1G1 VAL 315 HG13 -0.00 0.03 -0.24 -0.04 0.97 0.72 1gn1G1 VAL 315 HG23 -0.01 0.01 -0.25 -0.04 0.95 0.66 1gn1G1 ARG 316 H -0.00 0.09 0.17 -0.55 8.46 8.16 1gn1G1 ARG 316 HA -0.00 0.15 0.38 -0.75 4.34 4.12 1gn1G1 ARG 316 HB2 0.00 -0.05 0.16 -0.04 1.90 1.98 1gn1G1 ARG 316 HB3 0.00 -0.17 0.11 -0.04 1.80 1.70 1gn1G1 ARG 316 HG2 -0.00 0.08 0.10 -0.04 1.67 1.81 1gn1G1 ARG 316 HG3 0.00 0.09 0.13 -0.04 1.67 1.85 1gn1G1 ARG 316 HD2 0.00 -0.10 0.08 -0.04 3.22 3.16 1gn1G1 ARG 316 HD3 0.00 0.05 0.07 -0.04 3.22 3.30 1gn1G1 LYS 317 H -0.00 0.18 0.19 -0.55 8.42 8.23 1gn1G1 LYS 317 HA -0.00 0.15 0.42 -0.75 4.32 4.13 1gn1G1 THR 318 H -0.00 0.08 -0.10 -0.55 8.28 7.71 1gn1G1 THR 318 HA -0.00 0.14 0.39 -0.75 4.39 4.17 1gn1G1 THR 318 HB -0.00 0.08 0.00 -0.04 4.32 4.36 1gn1G1 THR 318 HG23 0.00 0.02 0.04 -0.04 1.22 1.24 1gn1G1 ASP 319 H -0.00 0.05 -0.22 -0.55 8.40 7.68 1gn1G1 ASP 319 HA -0.00 0.07 0.34 -0.75 4.63 4.28 1gn1G1 ASP 319 HB2 -0.00 0.03 0.04 -0.04 2.71 2.73 1gn1G1 ASP 319 HB3 -0.00 0.04 -0.10 -0.04 2.70 2.59 1gn1G1 ASN 320 H -0.00 0.63 -0.33 -0.55 8.53 8.28 1gn1G1 ASN 320 HA -0.00 -0.01 0.24 -0.75 4.76 4.23 1gn1G1 ASN 320 HB2 -0.00 0.17 -0.08 -0.04 2.88 2.92 1gn1G1 ASN 320 HB3 -0.00 0.06 -0.01 -0.04 2.79 2.81 1gn1G1 ASN 320 HD21 -0.00 0.03 -0.15 -0.04 7.03 6.86 1gn1G1 ASN 320 HD22 -0.00 -0.03 -0.10 -0.04 7.74 7.57 1gn1G1 ASN 321 H -0.00 0.43 -0.39 -0.55 8.53 8.02 1gn1G1 ASN 321 HA -0.00 0.02 0.50 -0.75 4.76 4.53 1gn1G1 ARG 322 H -0.00 0.53 0.02 -0.55 8.46 8.46 1gn1G1 ARG 322 HA -0.00 0.04 0.41 -0.75 4.34 4.03 1gn1G1 ARG 322 HB2 -0.00 0.06 0.15 -0.04 1.90 2.06 1gn1G1 ARG 322 HB3 -0.00 -0.00 0.04 -0.04 1.80 1.79 1gn1G1 ARG 322 HG2 -0.00 -0.01 0.04 -0.04 1.67 1.66 1gn1G1 ARG 322 HG3 -0.00 0.07 -0.03 -0.04 1.67 1.66 1gn1G1 ARG 322 HD2 -0.01 -0.03 0.02 -0.04 3.22 3.16 1gn1G1 ARG 322 HD3 -0.00 0.04 0.04 -0.04 3.22 3.25 1gn1G1 ILE 323 H -0.00 0.62 -0.22 -0.55 8.25 8.10 1gn1G1 ILE 323 HA 0.00 0.01 0.35 -0.75 4.18 3.79 1gn1G1 ILE 323 HB -0.00 0.13 0.01 -0.04 1.89 1.98 1gn1G1 ILE 323 HG12 -0.00 -0.04 -0.10 -0.04 1.49 1.30 1gn1G1 ILE 323 HG13 -0.00 0.12 -0.06 -0.04 1.21 1.23 1gn1G1 ILE 323 HG23 -0.00 -0.02 -0.20 -0.04 0.93 0.67 1gn1G1 ILE 323 HD13 -0.00 -0.03 -0.21 -0.04 0.88 0.60 1gn1G1 ALA 324 H -0.00 0.42 -0.29 -0.55 8.40 7.99 1gn1G1 ALA 324 HA -0.00 -0.11 0.35 -0.75 4.34 3.82 1gn1G1 ALA 324 HB3 -0.00 0.09 0.14 -0.04 1.41 1.60 1gn1G1 ARG 325 H -0.00 0.47 -0.14 -0.55 8.46 8.23 1gn1G1 ARG 325 HA 0.00 0.03 0.44 -0.75 4.34 4.06 1gn1G1 ARG 325 HB2 0.00 0.13 0.20 -0.04 1.90 2.18 1gn1G1 ARG 325 HB3 0.00 -0.04 0.09 -0.04 1.80 1.81 1gn1G1 ARG 325 HG2 -0.00 -0.05 0.03 -0.04 1.67 1.60 1gn1G1 ARG 325 HG3 -0.00 0.21 0.08 -0.04 1.67 1.92 1gn1G1 ARG 325 HD2 0.00 -0.02 0.00 -0.04 3.22 3.16 1gn1G1 ARG 325 HD3 -0.00 -0.07 -0.03 -0.04 3.22 3.08 1gn1G1 ALA 326 H 0.00 0.49 -0.07 -0.55 8.40 8.27 1gn1G1 ALA 326 HA 0.00 0.11 0.24 -0.75 4.34 3.94 1gn1G1 ALA 326 HB3 0.01 -0.02 0.04 -0.04 1.41 1.38 1gn1G1 CYS 327 H 0.00 0.59 -0.13 -0.55 8.50 8.42 1gn1G1 CYS 327 HA 0.00 0.10 0.74 -0.75 4.58 4.67 1gn1G1 CYS 327 HB2 -0.00 -0.07 -0.01 -0.04 2.97 2.85 1gn1G1 CYS 327 HB3 0.00 -0.01 -0.08 -0.04 2.97 2.84 1gn1G1 GLY 328 H 0.00 0.40 -0.27 -0.55 8.43 8.01 1gn1G1 GLY 328 HA2 -0.00 0.09 0.38 -0.51 4.01 3.97 1gn1G1 GLY 328 HA3 -0.00 -0.04 0.50 -0.51 4.01 3.96 1gn1G1 ALA 329 H -0.00 0.03 -0.00 -0.55 8.40 7.88 1gn1G1 ALA 329 HA -0.00 0.34 0.63 -0.75 4.34 4.56 1gn1G1 ALA 329 HB3 -0.00 -0.04 0.08 -0.04 1.41 1.40 1gn1G1 ARG 330 H -0.00 0.47 0.24 -0.55 8.46 8.62 1gn1G1 ARG 330 HA -0.00 0.12 0.90 -0.75 4.34 4.60 1gn1G1 ILE 331 H -0.00 0.12 0.02 -0.55 8.25 7.84 1gn1G1 ILE 331 HA -0.00 0.05 0.14 -0.75 4.18 3.61 1gn1G1 ILE 331 HB -0.00 -0.03 0.00 -0.04 1.89 1.82 1gn1G1 ILE 331 HG12 -0.00 -0.00 -0.10 -0.04 1.49 1.34 1gn1G1 ILE 331 HG13 -0.00 0.01 0.03 -0.04 1.21 1.21 1gn1G1 ILE 331 HG23 -0.00 -0.01 -0.34 -0.04 0.93 0.53 1gn1G1 ILE 331 HD13 -0.00 0.02 -0.21 -0.04 0.88 0.64 1gn1G1 VAL 332 H -0.00 0.47 0.27 -0.55 8.24 8.42 1gn1G1 VAL 332 HA -0.00 0.15 0.84 -0.75 4.13 4.36 1gn1G1 VAL 332 HB -0.01 0.09 0.03 -0.04 2.12 2.19 1gn1G1 VAL 332 HG13 -0.01 -0.05 -0.24 -0.04 0.97 0.64 1gn1G1 VAL 332 HG23 -0.00 0.13 -0.06 -0.04 0.95 0.97 1gn1G1 SER 333 H -0.00 0.14 0.08 -0.55 8.46 8.14 1gn1G1 SER 333 HA -0.00 0.02 0.99 -0.75 4.49 4.74 1gn1G1 SER 333 HB2 0.00 -0.01 0.16 -0.04 3.95 4.06 1gn1G1 SER 333 HB3 0.00 0.01 -0.03 -0.04 3.93 3.86 1gn1G1 ARG 334 H -0.00 0.12 0.11 -0.55 8.46 8.14 1gn1G1 ARG 334 HA -0.01 0.25 0.82 -0.75 4.34 4.65 1gn1G1 ARG 334 HB2 0.00 0.00 0.17 -0.04 1.90 2.03 1gn1G1 ARG 334 HB3 0.00 -0.01 0.09 -0.04 1.80 1.84 1gn1G1 ARG 334 HG2 0.01 0.02 -0.08 -0.04 1.67 1.58 1gn1G1 ARG 334 HG3 0.01 0.00 0.04 -0.04 1.67 1.68 1gn1G1 ARG 334 HD2 0.01 0.03 0.02 -0.04 3.22 3.24 1gn1G1 ARG 334 HD3 0.03 0.01 0.03 -0.04 3.22 3.24 1gn1G1 PRO 335 HA -0.02 0.13 0.30 -0.51 4.44 4.34 1gn1G1 PRO 335 HB2 -0.05 0.01 0.04 -0.04 2.28 2.24 1gn1G1 PRO 335 HB3 -0.04 0.11 -0.02 -0.04 2.02 2.03 1gn1G1 PRO 335 HG2 -0.06 0.02 0.04 -0.04 2.03 1.99 1gn1G1 PRO 335 HG3 -0.03 0.07 -0.02 -0.04 2.03 2.01 1gn1G1 PRO 335 HD2 -0.04 0.02 0.24 -0.04 3.68 3.86 1gn1G1 PRO 335 HD3 -0.02 0.38 0.33 -0.04 3.65 4.30 1gn1G1 GLU 336 H -0.02 0.02 -0.32 -0.55 8.60 7.73 1gn1G1 GLU 336 HA -0.02 0.12 0.32 -0.75 4.29 3.95 1gn1G1 GLU 336 HB2 -0.00 0.06 0.02 -0.04 2.09 2.12 1gn1G1 GLU 336 HB3 -0.01 -0.03 0.06 -0.04 1.99 1.97 1gn1G1 GLU 336 HG2 -0.00 -0.17 -0.01 -0.04 2.34 2.12 1gn1G1 GLU 336 HG3 -0.00 0.13 -0.16 -0.04 2.34 2.27 1gn1G1 GLU 337 H -0.01 0.12 -0.34 -0.55 8.60 7.82 1gn1G1 GLU 337 HA -0.00 0.13 0.53 -0.75 4.29 4.19 1gn1G1 GLU 337 HB2 -0.00 -0.00 0.14 -0.04 2.09 2.19 1gn1G1 GLU 337 HB3 -0.00 -0.11 0.07 -0.04 1.99 1.91 1gn1G1 GLU 337 HG2 -0.01 0.74 0.10 -0.04 2.34 3.13 1gn1G1 GLU 337 HG3 -0.00 -0.01 -0.09 -0.04 2.34 2.20 1gn1G1 LEU 338 H -0.01 0.49 -0.60 -0.55 8.37 7.70 1gn1G1 LEU 338 HA -0.01 -0.07 0.38 -0.75 4.35 3.90 1gn1G1 LEU 338 HB2 -0.01 0.43 0.15 -0.04 1.64 2.17 1gn1G1 LEU 338 HB3 -0.01 0.05 -0.05 -0.04 1.64 1.58 1gn1G1 LEU 338 HG -0.01 -0.12 -0.06 -0.04 1.64 1.41 1gn1G1 LEU 338 HD13 -0.02 -0.04 -0.04 -0.04 0.93 0.80 1gn1G1 LEU 338 HD23 -0.01 -0.01 0.03 -0.04 0.89 0.86 1gn1G1 ARG 339 H -0.01 0.15 0.23 -0.55 8.46 8.28 1gn1G1 ARG 339 HA -0.00 0.21 0.75 -0.75 4.34 4.54 1gn1G1 GLU 340 H -0.00 0.13 0.16 -0.55 8.60 8.34 1gn1G1 GLU 340 HA -0.00 0.24 0.59 -0.75 4.29 4.36 1gn1G1 GLU 340 HB2 -0.00 0.08 0.10 -0.04 2.09 2.23 1gn1G1 GLU 340 HB3 -0.00 -0.08 0.19 -0.04 1.99 2.06 1gn1G1 GLU 340 HG2 -0.00 -0.00 -0.01 -0.04 2.34 2.29 1gn1G1 GLU 340 HG3 -0.00 -0.03 -0.24 -0.04 2.34 2.03 1gn1G1 ASP 341 H -0.00 0.07 0.06 -0.55 8.40 7.98 1gn1G1 ASP 341 HA -0.00 0.24 0.50 -0.75 4.63 4.62 1gn1G1 ASP 341 HB2 -0.00 -0.06 0.12 -0.04 2.71 2.73 1gn1G1 ASP 341 HB3 -0.00 -0.01 0.02 -0.04 2.70 2.67 1gn1G1 ASP 342 H -0.00 0.06 -0.97 -0.55 8.40 6.95 1gn1G1 ASP 342 HA -0.00 0.05 0.48 -0.75 4.63 4.40 1gn1G1 ASP 342 HB2 -0.00 0.28 0.06 -0.04 2.71 3.00 1gn1G1 ASP 342 HB3 -0.00 0.01 0.10 -0.04 2.70 2.76 1gn1G1 VAL 343 H -0.00 0.42 -0.19 -0.55 8.24 7.92 1gn1G1 VAL 343 HA -0.00 0.11 0.61 -0.75 4.13 4.09 1gn1G1 VAL 343 HB -0.00 0.03 0.19 -0.04 2.12 2.30 1gn1G1 VAL 343 HG13 -0.00 0.04 -0.25 -0.04 0.97 0.72 1gn1G1 VAL 343 HG23 -0.00 -0.00 0.08 -0.04 0.95 0.98 1gn1G1 GLY 344 H -0.00 0.21 0.29 -0.55 8.43 8.38 1gn1G1 GLY 344 HA2 -0.00 0.13 0.15 -0.51 4.01 3.78 1gn1G1 GLY 344 HA3 -0.00 -0.18 0.10 -0.51 4.01 3.41 1gn1G1 THR 345 H -0.00 0.15 0.31 -0.55 8.28 8.19 1gn1G1 THR 345 HA -0.00 0.35 0.99 -0.75 4.39 4.97 1gn1G1 THR 345 HB -0.00 -0.03 0.18 -0.04 4.32 4.43 1gn1G1 THR 345 HG23 -0.00 0.08 -0.15 -0.04 1.22 1.11 1gn1G1 GLY 346 H -0.00 0.72 0.31 -0.55 8.43 8.91 1gn1G1 GLY 346 HA2 0.00 0.05 0.54 -0.51 4.01 4.10 1gn1G1 GLY 346 HA3 0.00 0.02 0.34 -0.51 4.01 3.86 1gn1G1 ALA 347 H -0.00 0.10 -0.29 -0.55 8.40 7.66 1gn1G1 ALA 347 HA 0.00 0.12 0.55 -0.75 4.34 4.26 1gn1G1 ALA 347 HB3 -0.00 -0.02 -0.10 -0.04 1.41 1.25 1gn1G1 GLY 348 H -0.00 0.43 0.25 -0.55 8.43 8.56 1gn1G1 GLY 348 HA2 -0.01 0.15 0.87 -0.51 4.01 4.51 1gn1G1 GLY 348 HA3 -0.01 0.04 0.44 -0.51 4.01 3.97 1gn1G1 LEU 349 H -0.02 0.26 0.04 -0.55 8.37 8.10 1gn1G1 LEU 349 HA -0.11 0.16 0.75 -0.75 4.35 4.40 1gn1G1 LEU 349 HB2 -0.06 0.13 -0.25 -0.04 1.64 1.42 1gn1G1 LEU 349 HB3 -0.05 -0.10 -0.06 -0.04 1.64 1.39 1gn1G1 LEU 349 HG -0.08 -0.02 -0.09 -0.04 1.64 1.41 1gn1G1 LEU 349 HD13 -0.10 -0.02 -0.29 -0.04 0.93 0.47 1gn1G1 LEU 349 HD23 -0.55 0.02 -0.12 -0.04 0.89 0.20 1gn1G1 LEU 350 H -0.15 0.80 0.26 -0.55 8.37 8.74 1gn1G1 LEU 350 HA -0.01 0.26 0.99 -0.75 4.35 4.83 1gn1G1 LEU 350 HB2 -0.03 -0.02 -0.05 -0.04 1.64 1.50 1gn1G1 LEU 350 HB3 -0.05 -0.00 0.14 -0.04 1.64 1.68 1gn1G1 LEU 350 HG -0.00 -0.03 -0.17 -0.04 1.64 1.40 1gn1G1 LEU 350 HD13 0.01 0.00 -0.41 -0.04 0.93 0.50 1gn1G1 LEU 350 HD23 0.02 0.01 -0.18 -0.04 0.89 0.70 1gn1G1 GLU 351 H 0.05 0.70 0.29 -0.55 8.60 9.09 1gn1G1 GLU 351 HA -0.03 0.30 1.20 -0.75 4.29 5.01 1gn1G1 GLU 351 HB2 -0.22 -0.02 -0.09 -0.04 2.09 1.72 1gn1G1 GLU 351 HB3 0.01 -0.02 0.11 -0.04 1.99 2.06 1gn1G1 GLU 351 HG2 0.12 -0.07 -0.29 -0.04 2.34 2.06 1gn1G1 GLU 351 HG3 0.22 0.07 -0.07 -0.04 2.34 2.52 1gn1G1 ILE 352 H 0.14 0.95 0.33 -0.55 8.25 9.12 1gn1G1 ILE 352 HA 0.22 0.25 1.15 -0.75 4.18 5.05 1gn1G1 ILE 352 HB 0.16 -0.02 0.31 -0.04 1.89 2.30 1gn1G1 ILE 352 HG12 0.10 -0.06 -0.11 -0.04 1.49 1.38 1gn1G1 ILE 352 HG13 0.09 0.02 -0.16 -0.04 1.21 1.12 1gn1G1 ILE 352 HG23 0.25 -0.03 -0.12 -0.04 0.93 0.99 1gn1G1 ILE 352 HD13 0.06 -0.02 -0.10 -0.04 0.88 0.78 1gn1G1 LYS 353 H 0.32 0.32 0.23 -0.55 8.42 8.73 1gn1G1 LYS 353 HA 0.08 0.19 1.01 -0.75 4.32 4.85 1gn1G1 LYS 353 HB2 0.03 -0.00 0.06 -0.04 1.87 1.92 1gn1G1 LYS 353 HB3 0.09 -0.02 -0.09 -0.04 1.79 1.73 1gn1G1 LYS 353 HG2 0.26 0.04 0.00 -0.04 1.46 1.73 1gn1G1 LYS 353 HG3 0.21 -0.01 -0.30 -0.04 1.46 1.32 1gn1G1 LYS 353 HD2 -0.23 -0.04 -0.11 -0.04 1.69 1.27 1gn1G1 LYS 353 HD3 -0.04 0.02 -0.10 -0.04 1.68 1.52 1gn1G1 LYS 353 HE2 -0.20 0.01 -0.08 -0.04 2.99 2.69 1gn1G1 LYS 353 HE3 -0.17 -0.02 -0.07 -0.04 2.99 2.69 1gn1G1 LYS 354 H -0.18 0.14 0.17 -0.55 8.42 7.99 1gn1G1 LYS 354 HA -0.42 0.13 0.97 -0.75 4.32 4.25 1gn1G1 LYS 354 HB2 -1.80 -0.03 -0.05 -0.04 1.87 -0.05 1gn1G1 LYS 354 HB3 -0.36 -0.05 0.09 -0.04 1.79 1.42 1gn1G1 LYS 354 HG2 -0.15 0.05 -0.47 -0.04 1.46 0.85 1gn1G1 LYS 354 HG3 -0.35 0.12 -0.42 -0.04 1.46 0.77 1gn1G1 LYS 354 HD2 0.11 -0.05 -0.15 -0.04 1.69 1.56 1gn1G1 LYS 354 HD3 -0.06 -0.07 -0.09 -0.04 1.68 1.41 1gn1G1 LYS 354 HE2 0.00 0.30 -0.05 -0.04 2.99 3.20 1gn1G1 LYS 354 HE3 0.07 0.04 -0.20 -0.04 2.99 2.86 1gn1G1 ILE 355 H 0.08 0.63 0.22 -0.55 8.25 8.63 1gn1G1 ILE 355 HA 0.04 0.10 0.86 -0.75 4.18 4.43 1gn1G1 ILE 355 HB 0.34 -0.00 0.01 -0.04 1.89 2.20 1gn1G1 ILE 355 HG12 0.07 0.05 -0.21 -0.04 1.49 1.37 1gn1G1 ILE 355 HG13 0.22 -0.00 -0.53 -0.04 1.21 0.86 1gn1G1 ILE 355 HG23 0.03 -0.02 -0.12 -0.04 0.93 0.78 1gn1G1 ILE 355 HD13 0.11 -0.01 -0.13 -0.04 0.88 0.81 1gn1G1 GLY 356 H 0.03 0.12 0.10 -0.55 8.43 8.14 1gn1G1 GLY 356 HA2 0.04 0.03 0.33 -0.51 4.01 3.89 1gn1G1 GLY 356 HA3 0.07 0.01 0.50 -0.51 4.01 4.07 1gn1G1 ASP 357 H 0.05 0.08 0.19 -0.55 8.40 8.18 1gn1G1 ASP 357 HA 0.03 0.15 0.57 -0.75 4.63 4.63 1gn1G1 ASP 357 HB2 0.03 -0.02 0.08 -0.04 2.71 2.76 1gn1G1 ASP 357 HB3 0.03 0.01 0.10 -0.04 2.70 2.80 1gn1G1 GLU 358 H 0.06 0.25 -0.08 -0.55 8.60 8.28 1gn1G1 GLU 358 HA 0.00 0.19 0.91 -0.75 4.29 4.64 1gn1G1 GLU 358 HB2 -0.02 -0.10 0.05 -0.04 2.09 1.98 1gn1G1 GLU 358 HB3 -0.51 0.09 -0.11 -0.04 1.99 1.42 1gn1G1 GLU 358 HG2 -0.25 0.01 0.00 -0.04 2.34 2.06 1gn1G1 GLU 358 HG3 -0.16 -0.02 0.07 -0.04 2.34 2.19 1gn1G1 TYR 359 H -0.05 0.13 0.09 -0.55 8.29 7.91 1gn1G1 TYR 359 HA -0.03 0.12 0.80 -0.75 4.56 4.71 1gn1G1 TYR 359 HB2 -0.11 -0.07 -0.04 -0.04 3.06 2.80 1gn1G1 TYR 359 HB3 -0.07 0.12 -0.19 -0.04 2.98 2.80 1gn1G1 TYR 359 HD2 -0.00 0.01 -0.23 -0.04 7.15 6.89 1gn1G1 TYR 359 HE2 0.02 0.04 -0.08 -0.04 6.85 6.79 1gn1G1 PHE 360 H 0.14 0.71 0.30 -0.55 8.34 8.94 1gn1G1 PHE 360 HA -0.04 0.12 1.06 -0.75 4.62 5.00 1gn1G1 PHE 360 HB2 0.06 0.03 0.03 -0.04 3.15 3.22 1gn1G1 PHE 360 HB3 -0.39 -0.01 -0.10 -0.04 3.06 2.52 1gn1G1 PHE 360 HD2 -0.06 -0.01 -0.31 -0.04 7.28 6.85 1gn1G1 PHE 360 HE2 -0.02 -0.01 -0.08 -0.04 7.38 7.23 1gn1G1 PHE 360 HZ -0.00 -0.04 -0.06 -0.04 7.32 7.17 1gn1G1 THR 361 H 0.01 0.55 0.41 -0.55 8.28 8.70 1gn1G1 THR 361 HA 0.12 0.15 0.87 -0.75 4.39 4.77 1gn1G1 THR 361 HB -0.01 -0.11 0.11 -0.04 4.32 4.28 1gn1G1 THR 361 HG23 0.03 -0.01 -0.29 -0.04 1.22 0.91 1gn1G1 PHE 362 H 0.24 0.62 0.25 -0.55 8.34 8.90 1gn1G1 PHE 362 HA 0.03 0.30 1.16 -0.75 4.62 5.36 1gn1G1 PHE 362 HB2 0.01 0.09 0.25 -0.04 3.15 3.47 1gn1G1 PHE 362 HB3 -0.00 -0.04 -0.06 -0.04 3.06 2.92 1gn1G1 PHE 362 HD2 0.03 0.08 -0.09 -0.04 7.28 7.26 1gn1G1 PHE 362 HE2 0.00 -0.01 -0.13 -0.04 7.38 7.20 1gn1G1 PHE 362 HZ -0.11 -0.03 -0.13 -0.04 7.32 7.01 1gn1G1 ILE 363 H 0.06 0.67 0.29 -0.55 8.25 8.72 1gn1G1 ILE 363 HA 0.04 0.31 1.03 -0.75 4.18 4.80 1gn1G1 ILE 363 HB 0.02 -0.08 0.17 -0.04 1.89 1.96 1gn1G1 ILE 363 HG12 0.01 0.06 -0.11 -0.04 1.49 1.41 1gn1G1 ILE 363 HG13 0.02 -0.08 -0.37 -0.04 1.21 0.74 1gn1G1 ILE 363 HG23 0.01 0.01 -0.16 -0.04 0.93 0.75 1gn1G1 ILE 363 HD13 0.00 -0.01 -0.14 -0.04 0.88 0.69 1gn1G1 THR 364 H 0.02 0.67 0.30 -0.55 8.28 8.72 1gn1G1 THR 364 HA 0.03 0.17 1.03 -0.75 4.39 4.87 1gn1G1 THR 364 HB 0.02 -0.04 0.24 -0.04 4.32 4.50 1gn1G1 THR 364 HG23 0.10 -0.02 -0.33 -0.04 1.22 0.93 1gn1G1 ASP 365 H 0.01 0.25 0.21 -0.55 8.40 8.32 1gn1G1 ASP 365 HA 0.00 0.07 0.36 -0.75 4.63 4.30 1gn1G1 ASP 365 HB2 -0.00 -0.01 -0.06 -0.04 2.71 2.60 1gn1G1 ASP 365 HB3 -0.01 0.05 0.18 -0.04 2.70 2.88 1gn1G1 CYS 366 H 0.01 0.02 -0.03 -0.55 8.50 7.95 1gn1G1 CYS 366 HA 0.00 0.39 0.57 -0.75 4.58 4.79 1gn1G1 CYS 366 HB2 0.01 -0.06 -0.25 -0.04 2.97 2.63 1gn1G1 CYS 366 HB3 0.00 0.14 -0.07 -0.04 2.97 3.01 1gn1G1 LYS 367 H 0.00 0.66 0.38 -0.55 8.42 8.91 1gn1G1 LYS 367 HA 0.00 0.04 0.43 -0.75 4.32 4.03 1gn1G1 ASP 368 H 0.00 0.16 -0.22 -0.55 8.40 7.79 1gn1G1 ASP 368 HA 0.00 0.25 0.90 -0.75 4.63 5.02 1gn1G1 ASP 368 HB2 0.00 0.08 -0.00 -0.04 2.71 2.75 1gn1G1 ASP 368 HB3 0.00 0.09 0.16 -0.04 2.70 2.91 1gn1G1 PRO 369 HA 0.00 0.06 0.33 -0.51 4.44 4.32 1gn1G1 PRO 369 HB2 0.00 -0.01 -0.01 -0.04 2.28 2.22 1gn1G1 PRO 369 HB3 0.00 0.02 0.08 -0.04 2.02 2.08 1gn1G1 PRO 369 HG2 0.00 0.01 0.05 -0.04 2.03 2.06 1gn1G1 PRO 369 HG3 0.00 0.09 0.01 -0.04 2.03 2.10 1gn1G1 PRO 369 HD2 0.00 0.04 0.20 -0.04 3.68 3.88 1gn1G1 PRO 369 HD3 0.00 0.49 -0.08 -0.04 3.65 4.02 1gn1G1 LYS 370 H 0.00 -0.01 -0.68 -0.55 8.42 7.17 1gn1G1 LYS 370 HA 0.00 0.15 0.60 -0.75 4.32 4.32 1gn1G1 ALA 371 H 0.00 0.25 -0.05 -0.55 8.40 8.06 1gn1G1 ALA 371 HA 0.00 0.01 0.35 -0.75 4.34 3.95 1gn1G1 ALA 371 HB3 0.00 0.05 0.04 -0.04 1.41 1.46 1gn1G1 CYS 372 H 0.00 0.22 -0.89 -0.55 8.50 7.28 1gn1G1 CYS 372 HA 0.01 0.15 0.92 -0.75 4.58 4.90 1gn1G1 CYS 372 HB2 0.01 -0.02 -0.09 -0.04 2.97 2.83 1gn1G1 CYS 372 HB3 0.01 -0.04 -0.01 -0.04 2.97 2.90 1gn1G1 THR 373 H 0.01 0.15 0.18 -0.55 8.28 8.07 1gn1G1 THR 373 HA 0.00 0.17 0.71 -0.75 4.39 4.52 1gn1G1 THR 373 HB 0.00 -0.04 0.18 -0.04 4.32 4.42 1gn1G1 THR 373 HG23 0.00 0.00 0.03 -0.04 1.22 1.21 1gn1G1 ILE 374 H 0.00 0.08 0.20 -0.55 8.25 7.99 1gn1G1 ILE 374 HA 0.01 0.10 0.67 -0.75 4.18 4.21 1gn1G1 ILE 374 HB 0.00 -0.01 -0.01 -0.04 1.89 1.83 1gn1G1 ILE 374 HG12 0.00 0.04 0.02 -0.04 1.49 1.52 1gn1G1 ILE 374 HG13 0.00 -0.08 0.18 -0.04 1.21 1.27 1gn1G1 ILE 374 HG23 0.00 -0.02 0.01 -0.04 0.93 0.89 1gn1G1 ILE 374 HD13 0.00 0.00 0.02 -0.04 0.88 0.86 1gn1G1 LEU 375 H 0.02 1.04 0.46 -0.55 8.37 9.34 1gn1G1 LEU 375 HA 0.01 0.16 0.84 -0.75 4.35 4.61 1gn1G1 LEU 375 HB2 0.05 -0.16 0.14 -0.04 1.64 1.62 1gn1G1 LEU 375 HB3 0.06 -0.04 -0.05 -0.04 1.64 1.56 1gn1G1 LEU 375 HG 0.05 0.07 -0.34 -0.04 1.64 1.38 1gn1G1 LEU 375 HD13 0.20 -0.03 -0.31 -0.04 0.93 0.75 1gn1G1 LEU 375 HD23 0.02 0.02 -0.24 -0.04 0.89 0.64 1gn1G1 LEU 376 H 0.01 0.03 0.18 -0.55 8.37 8.04 1gn1G1 LEU 376 HA -0.00 0.26 0.62 -0.75 4.35 4.47 1gn1G1 LEU 376 HB2 0.00 -0.02 -0.15 -0.04 1.64 1.43 1gn1G1 LEU 376 HB3 -0.01 -0.12 0.12 -0.04 1.64 1.59 1gn1G1 LEU 376 HG -0.01 0.16 0.03 -0.04 1.64 1.78 1gn1G1 LEU 376 HD13 -0.01 -0.00 -0.01 -0.04 0.93 0.86 1gn1G1 LEU 376 HD23 -0.01 -0.01 0.07 -0.04 0.89 0.90 1gn1G1 ARG 377 H -0.01 0.15 0.03 -0.55 8.46 8.08 1gn1G1 ARG 377 HA -0.01 0.14 0.14 -0.75 4.34 3.87 1gn1G1 ARG 377 HB2 -0.01 -0.03 0.03 -0.04 1.90 1.85 1gn1G1 ARG 377 HB3 -0.01 0.11 0.05 -0.04 1.80 1.91 1gn1G1 ARG 377 HG2 -0.01 0.06 0.03 -0.04 1.67 1.71 1gn1G1 ARG 377 HG3 -0.01 0.02 0.04 -0.04 1.67 1.68 1gn1G1 ARG 377 HD2 -0.01 -0.13 0.10 -0.04 3.22 3.14 1gn1G1 ARG 377 HD3 -0.01 0.03 0.02 -0.04 3.22 3.22