============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 10 rings ring int. center anis. iso. HIS 10 0.900 28.025 37.075 60.431 -99.200 -91.000 TYR 41 0.840 7.507 34.528 55.508 -99.200 -91.000 PHE 72 1.000 4.259 44.383 54.599 -99.200 -91.000 PHE 83 1.000 -2.380 42.864 66.784 -99.200 -91.000 HIS 86 0.900 -0.905 35.951 74.422 -99.200 -91.000 PHE 109 1.000 2.982 29.123 76.007 -99.200 -91.000 PHE 115 1.000 5.670 19.080 76.200 -99.200 -91.000 TYR 124 0.840 17.506 33.157 78.390 -99.200 -91.000 TRP 130 1.040 2.624 23.631 82.125 -99.200 -91.000 TRP6 130 1.020 4.107 22.132 83.154 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2gezH1 THR 193 HA -0.00 -0.04 0.44 -0.75 4.39 4.03 2gezH1 THR 193 HB 0.00 0.00 0.06 -0.04 4.32 4.34 2gezH1 THR 193 HG23 0.00 0.03 0.01 -0.04 1.22 1.22 2gezH1 VAL 194 H -0.01 0.66 0.46 -0.55 8.24 8.80 2gezH1 VAL 194 HA -0.01 0.19 0.82 -0.75 4.13 4.38 2gezH1 VAL 194 HB -0.02 -0.03 0.12 -0.04 2.12 2.15 2gezH1 VAL 194 HG13 -0.04 0.00 -0.10 -0.04 0.97 0.80 2gezH1 VAL 194 HG23 -0.02 0.01 -0.05 -0.04 0.95 0.86 2gezH1 GLY 195 H -0.01 0.29 0.22 -0.55 8.43 8.38 2gezH1 GLY 195 HA2 -0.00 0.09 0.63 -0.51 4.01 4.22 2gezH1 GLY 195 HA3 0.00 0.07 0.44 -0.51 4.01 4.00 2gezH1 CYS 196 H 0.00 0.56 0.33 -0.55 8.50 8.85 2gezH1 CYS 196 HA 0.00 0.17 0.77 -0.75 4.58 4.77 2gezH1 CYS 196 HB2 -0.00 0.04 -0.09 -0.04 2.97 2.87 2gezH1 CYS 196 HB3 -0.00 -0.06 -0.00 -0.04 2.97 2.86 2gezH1 VAL 197 H 0.01 0.28 0.19 -0.55 8.24 8.17 2gezH1 VAL 197 HA 0.00 0.29 0.95 -0.75 4.13 4.62 2gezH1 VAL 197 HB 0.01 0.01 0.05 -0.04 2.12 2.15 2gezH1 VAL 197 HG13 0.01 0.00 -0.31 -0.04 0.97 0.64 2gezH1 VAL 197 HG23 0.02 -0.02 -0.13 -0.04 0.95 0.78 2gezH1 ALA 198 H 0.00 0.54 0.30 -0.55 8.40 8.70 2gezH1 ALA 198 HA 0.01 0.14 0.74 -0.75 4.34 4.47 2gezH1 ALA 198 HB3 0.00 0.01 -0.10 -0.04 1.41 1.27 2gezH1 VAL 199 H 0.00 0.28 0.16 -0.55 8.24 8.13 2gezH1 VAL 199 HA 0.00 0.36 0.64 -0.75 4.13 4.37 2gezH1 VAL 199 HB -0.00 -0.03 -0.14 -0.04 2.12 1.91 2gezH1 VAL 199 HG13 -0.00 0.00 -0.01 -0.04 0.97 0.92 2gezH1 VAL 199 HG23 -0.00 0.11 -0.14 -0.04 0.95 0.88 2gezH1 ASP 200 H 0.01 0.35 0.17 -0.55 8.40 8.38 2gezH1 ASP 200 HA -0.01 0.18 0.76 -0.75 4.63 4.81 2gezH1 ASP 200 HB2 0.05 -0.02 0.19 -0.04 2.71 2.90 2gezH1 ASP 200 HB3 0.04 0.09 0.10 -0.04 2.70 2.88 2gezH1 SER 201 H -0.15 0.16 0.16 -0.55 8.46 8.08 2gezH1 SER 201 HA -0.14 0.21 0.51 -0.75 4.49 4.32 2gezH1 SER 201 HB2 -0.17 0.05 0.18 -0.04 3.95 3.97 2gezH1 SER 201 HB3 -0.16 -0.03 0.16 -0.04 3.93 3.87 2gezH1 HIS 202 H -0.10 -0.07 -0.51 -0.55 8.41 7.18 2gezH1 HIS 202 HA -0.00 0.24 0.80 -0.75 4.63 4.91 2gezH1 HIS 202 HB2 -0.00 -0.06 0.01 -0.04 3.26 3.17 2gezH1 HIS 202 HB3 -0.00 0.06 0.13 -0.04 3.20 3.34 2gezH1 HIS 202 HD2 -0.00 -0.04 -0.01 -0.04 6.97 6.88 2gezH1 HIS 202 HE1 0.00 0.03 -0.04 -0.04 7.75 7.70 2gezH1 GLY 203 H -0.01 0.34 -0.15 -0.55 8.43 8.06 2gezH1 GLY 203 HA2 0.00 0.20 0.36 -0.51 4.01 4.06 2gezH1 GLY 203 HA3 0.02 0.09 0.41 -0.51 4.01 4.02 2gezH1 ASN 204 H 0.05 -0.11 -0.26 -0.55 8.53 7.67 2gezH1 ASN 204 HA 0.01 0.13 0.66 -0.75 4.76 4.81 2gezH1 ASN 204 HB2 0.04 -0.17 0.12 -0.04 2.88 2.83 2gezH1 ASN 204 HB3 0.02 0.08 -0.01 -0.04 2.79 2.84 2gezH1 ASN 204 HD21 0.04 0.06 -0.03 -0.04 7.03 7.05 2gezH1 ASN 204 HD22 0.11 -0.12 -0.01 -0.04 7.74 7.67 2gezH1 LEU 205 H -0.01 0.20 0.19 -0.55 8.37 8.20 2gezH1 LEU 205 HA -0.01 0.27 0.81 -0.75 4.35 4.67 2gezH1 LEU 205 HB2 -0.03 0.18 0.06 -0.04 1.64 1.81 2gezH1 LEU 205 HB3 -0.02 -0.08 -0.12 -0.04 1.64 1.37 2gezH1 LEU 205 HG -0.00 0.01 -0.46 -0.04 1.64 1.15 2gezH1 LEU 205 HD13 -0.01 -0.01 -0.46 -0.04 0.93 0.42 2gezH1 LEU 205 HD23 -0.00 -0.01 -0.45 -0.04 0.89 0.38 2gezH1 ALA 206 H -0.01 0.50 0.35 -0.55 8.40 8.69 2gezH1 ALA 206 HA -0.03 0.05 0.38 -0.75 4.34 3.98 2gezH1 ALA 206 HB3 -0.01 0.03 -0.00 -0.04 1.41 1.38 2gezH1 SER 207 H -0.02 0.29 0.19 -0.55 8.46 8.37 2gezH1 SER 207 HA -0.00 0.29 0.99 -0.75 4.49 5.01 2gezH1 SER 207 HB2 0.01 -0.07 -0.11 -0.04 3.95 3.74 2gezH1 SER 207 HB3 -0.01 -0.13 -0.09 -0.04 3.93 3.66 2gezH1 ALA 208 H 0.00 0.65 0.35 -0.55 8.40 8.86 2gezH1 ALA 208 HA -0.00 0.11 0.76 -0.75 4.34 4.46 2gezH1 ALA 208 HB3 -0.00 0.00 -0.03 -0.04 1.41 1.34 2gezH1 THR 209 H 0.00 0.31 0.23 -0.55 8.28 8.28 2gezH1 THR 209 HA 0.00 0.26 1.05 -0.75 4.39 4.95 2gezH1 THR 209 HB 0.01 0.00 0.04 -0.04 4.32 4.33 2gezH1 THR 209 HG23 0.01 -0.00 0.07 -0.04 1.22 1.26 2gezH1 SER 210 H -0.00 0.76 0.38 -0.55 8.46 9.05 2gezH1 SER 210 HA -0.00 0.10 0.81 -0.75 4.49 4.64 2gezH1 SER 210 HB2 -0.01 0.02 -0.25 -0.04 3.95 3.67 2gezH1 SER 210 HB3 -0.01 -0.02 -0.01 -0.04 3.93 3.85 2gezH1 THR 211 H -0.00 0.23 0.20 -0.55 8.28 8.16 2gezH1 THR 211 HA -0.01 0.23 0.81 -0.75 4.39 4.67 2gezH1 THR 211 HB 0.00 0.07 -0.05 -0.04 4.32 4.30 2gezH1 THR 211 HG23 0.00 -0.01 -0.08 -0.04 1.22 1.09 2gezH1 GLY 212 H -0.01 0.23 0.20 -0.55 8.43 8.31 2gezH1 GLY 212 HA2 -0.00 0.18 0.74 -0.51 4.01 4.42 2gezH1 GLY 212 HA3 -0.00 0.05 0.33 -0.51 4.01 3.87 2gezH1 GLY 213 H -0.00 0.07 0.16 -0.55 8.43 8.11 2gezH1 GLY 213 HA2 0.00 -0.06 0.31 -0.51 4.01 3.75 2gezH1 GLY 213 HA3 0.00 0.14 0.52 -0.51 4.01 4.17 2gezH1 LEU 214 H 0.00 0.22 0.19 -0.55 8.37 8.24 2gezH1 LEU 214 HA 0.01 0.15 0.87 -0.75 4.35 4.62 2gezH1 LEU 214 HB2 0.01 -0.10 0.11 -0.04 1.64 1.61 2gezH1 LEU 214 HB3 0.01 0.07 -0.00 -0.04 1.64 1.67 2gezH1 LEU 214 HG 0.01 0.09 0.08 -0.04 1.64 1.78 2gezH1 LEU 214 HD13 0.01 -0.01 -0.02 -0.04 0.93 0.87 2gezH1 LEU 214 HD23 0.01 0.00 0.03 -0.04 0.89 0.88 2gezH1 VAL 215 H 0.01 0.16 0.17 -0.55 8.24 8.02 2gezH1 VAL 215 HA 0.00 0.04 0.48 -0.75 4.13 3.90 2gezH1 VAL 215 HB 0.01 0.03 0.14 -0.04 2.12 2.26 2gezH1 VAL 215 HG13 0.01 0.00 0.07 -0.04 0.97 1.01 2gezH1 VAL 215 HG23 0.01 0.02 -0.02 -0.04 0.95 0.91 2gezH1 ASN 216 H 0.00 0.13 0.20 -0.55 8.53 8.32 2gezH1 ASN 216 HA 0.00 0.02 0.33 -0.75 4.76 4.36 2gezH1 ASN 216 HB2 0.01 -0.07 -0.18 -0.04 2.88 2.60 2gezH1 ASN 216 HB3 0.01 0.14 0.15 -0.04 2.79 3.05 2gezH1 ASN 216 HD21 0.00 -0.02 0.02 -0.04 7.03 7.00 2gezH1 ASN 216 HD22 0.01 0.01 0.00 -0.04 7.74 7.72 2gezH1 LYS 217 H 0.00 0.40 -0.30 -0.55 8.42 7.98 2gezH1 LYS 217 HA 0.00 -0.04 0.34 -0.75 4.32 3.87 2gezH1 LYS 217 HB2 0.00 -0.09 0.09 -0.04 1.87 1.84 2gezH1 LYS 217 HB3 0.00 0.01 0.14 -0.04 1.79 1.91 2gezH1 LYS 217 HG2 0.00 -0.08 0.01 -0.04 1.46 1.36 2gezH1 LYS 217 HG3 0.00 0.21 -0.19 -0.04 1.46 1.45 2gezH1 LYS 217 HD2 0.00 -0.04 0.05 -0.04 1.69 1.65 2gezH1 LYS 217 HD3 0.00 -0.11 0.16 -0.04 1.68 1.69 2gezH1 LYS 217 HE2 0.00 -0.02 0.04 -0.04 2.99 2.97 2gezH1 LYS 217 HE3 0.00 -0.05 0.04 -0.04 2.99 2.94 2gezH1 MET 218 H 0.00 0.02 0.17 -0.55 8.47 8.11 2gezH1 MET 218 HA 0.00 0.07 0.41 -0.75 4.52 4.25 2gezH1 MET 218 HB2 0.00 -0.05 0.04 -0.04 2.15 2.10 2gezH1 MET 218 HB3 0.00 0.07 0.09 -0.04 2.03 2.15 2gezH1 MET 218 HG2 0.00 0.04 0.09 -0.04 2.63 2.72 2gezH1 MET 218 HG3 0.00 -0.05 0.13 -0.04 2.56 2.61 2gezH1 MET 218 HE3 0.00 0.01 0.03 -0.04 2.10 2.10 2gezH1 VAL 219 H 0.00 0.08 0.18 -0.55 8.24 7.96 2gezH1 VAL 219 HA 0.00 0.08 0.52 -0.75 4.13 3.98 2gezH1 VAL 219 HB 0.00 0.01 0.09 -0.04 2.12 2.18 2gezH1 VAL 219 HG13 0.00 0.01 0.09 -0.04 0.97 1.03 2gezH1 VAL 219 HG23 0.00 -0.00 0.02 -0.04 0.95 0.93 2gezH1 GLY 220 H 0.00 0.15 0.17 -0.55 8.43 8.20 2gezH1 GLY 220 HA2 0.00 0.00 0.30 -0.51 4.01 3.81 2gezH1 GLY 220 HA3 0.00 0.12 0.49 -0.51 4.01 4.12 2gezH1 ARG 221 H 0.00 0.40 -0.29 -0.55 8.46 8.03 2gezH1 ARG 221 HA 0.00 0.06 0.55 -0.75 4.34 4.20 2gezH1 ARG 221 HB2 0.00 -0.01 0.04 -0.04 1.90 1.89 2gezH1 ARG 221 HB3 0.00 0.05 0.06 -0.04 1.80 1.87 2gezH1 ARG 221 HG2 0.00 0.11 -0.08 -0.04 1.67 1.66 2gezH1 ARG 221 HG3 0.00 -0.04 -0.03 -0.04 1.67 1.56 2gezH1 ARG 221 HD2 0.00 0.01 -0.10 -0.04 3.22 3.09 2gezH1 ARG 221 HD3 0.00 -0.07 -0.70 -0.04 3.22 2.41 2gezH1 ILE 222 H 0.00 0.22 0.23 -0.55 8.25 8.15 2gezH1 ILE 222 HA 0.00 0.09 0.81 -0.75 4.18 4.33 2gezH1 ILE 222 HB 0.01 -0.01 0.16 -0.04 1.89 2.01 2gezH1 ILE 222 HG12 0.00 -0.02 -0.03 -0.04 1.49 1.41 2gezH1 ILE 222 HG13 0.00 0.10 -0.26 -0.04 1.21 1.02 2gezH1 ILE 222 HG23 0.01 0.02 -0.11 -0.04 0.93 0.80 2gezH1 ILE 222 HD13 0.00 -0.00 -0.00 -0.04 0.88 0.84 2gezH1 GLY 223 H 0.01 0.11 0.04 -0.55 8.43 8.04 2gezH1 GLY 223 HA2 0.01 0.19 0.70 -0.51 4.01 4.39 2gezH1 GLY 223 HA3 0.01 -0.11 0.38 -0.51 4.01 3.79 2gezH1 ASP 224 H 0.01 0.05 0.16 -0.55 8.40 8.07 2gezH1 ASP 224 HA 0.01 0.22 0.53 -0.75 4.63 4.63 2gezH1 ASP 224 HB2 0.01 -0.05 -0.15 -0.04 2.71 2.48 2gezH1 ASP 224 HB3 0.01 0.14 0.05 -0.04 2.70 2.86 2gezH1 THR 225 H 0.01 -0.01 0.01 -0.55 8.28 7.74 2gezH1 THR 225 HA 0.01 0.07 0.25 -0.75 4.39 3.97 2gezH1 THR 225 HB 0.01 -0.01 0.00 -0.04 4.32 4.28 2gezH1 THR 225 HG23 0.00 -0.02 -0.29 -0.04 1.22 0.87 2gezH1 PRO 226 HA 0.01 0.20 0.71 -0.51 4.44 4.85 2gezH1 PRO 226 HB2 0.01 0.04 0.10 -0.04 2.28 2.39 2gezH1 PRO 226 HB3 0.01 0.01 0.05 -0.04 2.02 2.05 2gezH1 PRO 226 HG2 0.01 0.11 -0.15 -0.04 2.03 1.96 2gezH1 PRO 226 HG3 0.01 0.00 -0.03 -0.04 2.03 1.96 2gezH1 PRO 226 HD2 0.01 0.18 -0.64 -0.04 3.68 3.19 2gezH1 PRO 226 HD3 0.01 -0.04 -0.11 -0.04 3.65 3.47 2gezH1 LEU 227 H 0.02 0.61 -0.34 -0.55 8.37 8.11 2gezH1 LEU 227 HA 0.02 0.14 0.76 -0.75 4.35 4.51 2gezH1 LEU 227 HB2 0.02 0.00 0.24 -0.04 1.64 1.85 2gezH1 LEU 227 HB3 0.02 0.01 -0.00 -0.04 1.64 1.63 2gezH1 LEU 227 HG 0.01 0.02 -0.01 -0.04 1.64 1.62 2gezH1 LEU 227 HD13 0.01 0.01 -0.21 -0.04 0.93 0.70 2gezH1 LEU 227 HD23 0.01 0.05 -0.00 -0.04 0.89 0.91 2gezH1 ILE 228 H 0.04 0.19 0.18 -0.55 8.25 8.11 2gezH1 ILE 228 HA 0.08 0.15 0.45 -0.75 4.18 4.11 2gezH1 ILE 228 HB 0.06 -0.02 0.22 -0.04 1.89 2.11 2gezH1 ILE 228 HG12 0.03 0.01 0.09 -0.04 1.49 1.57 2gezH1 ILE 228 HG13 0.03 -0.01 0.07 -0.04 1.21 1.25 2gezH1 ILE 228 HG23 0.15 -0.01 -0.05 -0.04 0.93 0.98 2gezH1 ILE 228 HD13 0.03 0.03 -0.01 -0.04 0.88 0.88 2gezH1 GLY 229 H 0.18 0.62 0.30 -0.55 8.43 8.98 2gezH1 GLY 229 HA2 -0.09 -0.06 0.27 -0.51 4.01 3.62 2gezH1 GLY 229 HA3 -0.02 0.20 0.68 -0.51 4.01 4.37 2gezH1 ALA 230 H 0.03 0.71 -0.13 -0.55 8.40 8.46 2gezH1 ALA 230 HA -0.01 0.07 0.86 -0.75 4.34 4.51 2gezH1 ALA 230 HB3 0.01 0.03 0.00 -0.04 1.41 1.41 2gezH1 GLY 231 H 0.02 0.50 0.10 -0.55 8.43 8.51 2gezH1 GLY 231 HA2 0.02 0.01 0.35 -0.51 4.01 3.88 2gezH1 GLY 231 HA3 0.02 0.05 -0.00 -0.51 4.01 3.56 2gezH1 THR 232 H 0.06 0.10 -0.31 -0.55 8.28 7.58 2gezH1 THR 232 HA 0.05 0.36 0.80 -0.75 4.39 4.84 2gezH1 THR 232 HB 0.04 -0.02 -0.09 -0.04 4.32 4.21 2gezH1 THR 232 HG23 0.02 -0.02 -0.26 -0.04 1.22 0.93 2gezH1 TYR 233 H 0.10 0.64 0.23 -0.55 8.29 8.72 2gezH1 TYR 233 HA -0.01 0.07 0.53 -0.75 4.56 4.40 2gezH1 TYR 233 HB2 -0.01 -0.13 -0.38 -0.04 3.06 2.51 2gezH1 TYR 233 HB3 -0.01 0.09 -0.21 -0.04 2.98 2.80 2gezH1 TYR 233 HD2 -0.02 -0.03 -0.10 -0.04 7.15 6.96 2gezH1 TYR 233 HE2 -0.03 -0.04 -0.05 -0.04 6.85 6.70 2gezH1 ALA 234 H -0.49 0.28 0.22 -0.55 8.40 7.87 2gezH1 ALA 234 HA -0.08 0.32 0.97 -0.75 4.34 4.80 2gezH1 ALA 234 HB3 -0.09 -0.00 -0.09 -0.04 1.41 1.19 2gezH1 ASN 235 H -0.08 0.38 0.23 -0.55 8.53 8.52 2gezH1 ASN 235 HA -0.14 0.17 0.78 -0.75 4.76 4.82 2gezH1 ASN 235 HB2 0.03 0.17 -0.03 -0.04 2.88 3.01 2gezH1 ASN 235 HB3 0.01 -0.45 0.07 -0.04 2.79 2.37 2gezH1 ASN 235 HD21 0.08 0.10 -0.01 -0.04 7.03 7.16 2gezH1 ASN 235 HD22 0.04 -0.10 0.04 -0.04 7.74 7.68 2gezH1 GLU 236 H -0.02 0.15 0.18 -0.55 8.60 8.37 2gezH1 GLU 236 HA -0.01 0.18 0.78 -0.75 4.29 4.49 2gezH1 GLU 236 HB2 0.01 -0.06 0.12 -0.04 2.09 2.12 2gezH1 GLU 236 HB3 0.01 0.06 0.05 -0.04 1.99 2.06 2gezH1 GLU 236 HG2 -0.00 -0.05 0.13 -0.04 2.34 2.38 2gezH1 GLU 236 HG3 0.01 0.02 0.07 -0.04 2.34 2.41 2gezH1 LEU 237 H 0.00 -0.01 -0.05 -0.55 8.37 7.77 2gezH1 LEU 237 HA 0.00 0.18 0.72 -0.75 4.35 4.50 2gezH1 LEU 237 HB2 0.00 -0.04 0.07 -0.04 1.64 1.63 2gezH1 LEU 237 HB3 -0.01 0.00 -0.05 -0.04 1.64 1.55 2gezH1 LEU 237 HG 0.00 0.05 -0.04 -0.04 1.64 1.60 2gezH1 LEU 237 HD13 0.00 -0.03 -0.00 -0.04 0.93 0.86 2gezH1 LEU 237 HD23 -0.03 0.03 -0.07 -0.04 0.89 0.78 2gezH1 CYS 238 H 0.02 0.09 0.06 -0.55 8.50 8.12 2gezH1 CYS 238 HA 0.01 0.16 0.36 -0.75 4.58 4.35 2gezH1 CYS 238 HB2 0.02 0.16 0.14 -0.04 2.97 3.25 2gezH1 CYS 238 HB3 0.01 0.02 -0.07 -0.04 2.97 2.88 2gezH1 ALA 239 H 0.02 0.60 0.33 -0.55 8.40 8.80 2gezH1 ALA 239 HA 0.01 0.22 1.00 -0.75 4.34 4.82 2gezH1 ALA 239 HB3 -0.00 -0.01 -0.00 -0.04 1.41 1.35 2gezH1 VAL 240 H 0.06 0.78 0.39 -0.55 8.24 8.92 2gezH1 VAL 240 HA 0.03 0.33 1.09 -0.75 4.13 4.83 2gezH1 VAL 240 HB 0.08 -0.09 0.02 -0.04 2.12 2.09 2gezH1 VAL 240 HG13 0.03 0.03 -0.19 -0.04 0.97 0.79 2gezH1 VAL 240 HG23 0.05 -0.02 -0.26 -0.04 0.95 0.68 2gezH1 SER 241 H 0.03 0.56 0.25 -0.55 8.46 8.75 2gezH1 SER 241 HA 0.03 0.29 0.74 -0.75 4.49 4.79 2gezH1 SER 241 HB2 0.02 -0.03 0.00 -0.04 3.95 3.90 2gezH1 SER 241 HB3 0.01 -0.08 0.03 -0.04 3.93 3.85 2gezH1 ALA 242 H 0.02 0.46 0.19 -0.55 8.40 8.53 2gezH1 ALA 242 HA 0.01 0.24 1.04 -0.75 4.34 4.88 2gezH1 ALA 242 HB3 0.01 -0.04 0.01 -0.04 1.41 1.35 2gezH1 THR 243 H 0.01 0.38 0.29 -0.55 8.28 8.42 2gezH1 THR 243 HA 0.01 -0.06 0.48 -0.75 4.39 4.07 2gezH1 THR 243 HB 0.00 0.23 -0.05 -0.04 4.32 4.46 2gezH1 THR 243 HG23 -0.01 -0.00 -0.25 -0.04 1.22 0.92 2gezH1 GLY 244 H 0.01 0.22 0.24 -0.55 8.43 8.35 2gezH1 GLY 244 HA2 0.01 0.03 0.37 -0.51 4.01 3.91 2gezH1 GLY 244 HA3 0.01 0.36 0.82 -0.51 4.01 4.70 2gezH1 LYS 245 H 0.01 0.54 0.30 -0.55 8.42 8.72 2gezH1 LYS 245 HA 0.01 0.02 0.58 -0.75 4.32 4.18 2gezH1 LYS 245 HB2 0.01 0.06 0.25 -0.04 1.87 2.15 2gezH1 LYS 245 HB3 0.01 -0.11 0.08 -0.04 1.79 1.73 2gezH1 LYS 245 HG2 0.01 -0.02 0.12 -0.04 1.46 1.53 2gezH1 LYS 245 HG3 0.01 0.11 0.21 -0.04 1.46 1.76 2gezH1 LYS 245 HD2 0.01 0.09 0.06 -0.04 1.69 1.81 2gezH1 LYS 245 HD3 0.01 -0.07 0.05 -0.04 1.68 1.62 2gezH1 LYS 245 HE2 0.01 -0.04 0.05 -0.04 2.99 2.98 2gezH1 LYS 245 HE3 0.01 0.09 0.06 -0.04 2.99 3.11 2gezH1 GLY 246 H 0.01 0.19 0.29 -0.55 8.43 8.37 2gezH1 GLY 246 HA2 0.01 0.05 0.25 -0.51 4.01 3.81 2gezH1 GLY 246 HA3 0.01 -0.03 0.43 -0.51 4.01 3.90 2gezH1 GLU 247 H 0.01 0.12 -0.09 -0.55 8.60 8.09 2gezH1 GLU 247 HA 0.00 0.09 0.39 -0.75 4.29 4.02 2gezH1 GLU 247 HB2 0.01 -0.01 0.04 -0.04 2.09 2.09 2gezH1 GLU 247 HB3 0.00 0.09 -0.01 -0.04 1.99 2.03 2gezH1 GLU 247 HG2 0.00 0.07 0.03 -0.04 2.34 2.40 2gezH1 GLU 247 HG3 0.00 0.06 0.06 -0.04 2.34 2.42 2gezH1 GLU 248 H 0.00 0.31 -0.34 -0.55 8.60 8.03 2gezH1 GLU 248 HA 0.00 0.11 0.45 -0.75 4.29 4.10 2gezH1 GLU 248 HB2 0.00 0.15 0.05 -0.04 2.09 2.24 2gezH1 GLU 248 HB3 -0.00 0.05 0.02 -0.04 1.99 2.01 2gezH1 GLU 248 HG2 0.00 -0.11 0.00 -0.04 2.34 2.20 2gezH1 GLU 248 HG3 0.00 0.07 0.01 -0.04 2.34 2.39 2gezH1 ILE 249 H 0.00 0.26 -0.28 -0.55 8.25 7.68 2gezH1 ILE 249 HA -0.00 0.12 0.36 -0.75 4.18 3.91 2gezH1 ILE 249 HB 0.01 0.04 0.01 -0.04 1.89 1.90 2gezH1 ILE 249 HG12 0.00 0.02 -0.19 -0.04 1.49 1.29 2gezH1 ILE 249 HG13 0.00 0.06 -0.22 -0.04 1.21 1.01 2gezH1 ILE 249 HG23 0.00 -0.04 -0.32 -0.04 0.93 0.54 2gezH1 ILE 249 HD13 0.01 -0.02 -0.43 -0.04 0.88 0.40 2gezH1 ILE 250 H 0.00 0.42 -0.06 -0.55 8.25 8.06 2gezH1 ILE 250 HA 0.00 0.02 0.51 -0.75 4.18 3.96 2gezH1 ILE 250 HB 0.00 0.07 0.14 -0.04 1.89 2.06 2gezH1 ILE 250 HG12 0.01 0.01 -0.06 -0.04 1.49 1.40 2gezH1 ILE 250 HG13 0.01 -0.02 -0.07 -0.04 1.21 1.08 2gezH1 ILE 250 HG23 0.00 0.02 -0.15 -0.04 0.93 0.76 2gezH1 ILE 250 HD13 0.01 -0.00 -0.22 -0.04 0.88 0.62 2gezH1 ARG 251 H 0.00 0.38 -0.12 -0.55 8.46 8.17 2gezH1 ARG 251 HA 0.00 0.01 0.33 -0.75 4.34 3.93 2gezH1 ARG 251 HB2 0.00 0.17 0.20 -0.04 1.90 2.23 2gezH1 ARG 251 HB3 0.00 0.14 0.07 -0.04 1.80 1.96 2gezH1 ARG 251 HG2 0.00 0.03 -0.06 -0.04 1.67 1.60 2gezH1 ARG 251 HG3 0.00 -0.05 0.05 -0.04 1.67 1.63 2gezH1 ARG 251 HD2 0.00 0.04 -0.01 -0.04 3.22 3.21 2gezH1 ARG 251 HD3 0.00 -0.03 -0.01 -0.04 3.22 3.14 2gezH1 ALA 252 H -0.00 0.25 -0.35 -0.55 8.40 7.75 2gezH1 ALA 252 HA 0.00 0.13 0.58 -0.75 4.34 4.30 2gezH1 ALA 252 HB3 -0.00 -0.00 0.05 -0.04 1.41 1.41 2gezH1 THR 253 H -0.01 0.32 -0.46 -0.55 8.28 7.59 2gezH1 THR 253 HA -0.02 -0.03 0.42 -0.75 4.39 4.01 2gezH1 THR 253 HB -0.06 -0.11 0.20 -0.04 4.32 4.32 2gezH1 THR 253 HG23 -0.01 0.03 -0.03 -0.04 1.22 1.16 2gezH1 VAL 254 H -0.01 0.23 0.02 -0.55 8.24 7.93 2gezH1 VAL 254 HA -0.01 0.17 -0.05 -0.75 4.13 3.48 2gezH1 VAL 254 HB -0.00 -0.02 -0.12 -0.04 2.12 1.94 2gezH1 VAL 254 HG13 -0.00 0.03 -0.12 -0.04 0.97 0.83 2gezH1 VAL 254 HG23 0.00 0.01 -0.21 -0.04 0.95 0.71 2gezH1 ALA 255 H -0.01 0.39 -0.14 -0.55 8.40 8.09 2gezH1 ALA 255 HA 0.01 0.02 0.22 -0.75 4.34 3.84 2gezH1 ALA 255 HB3 0.07 -0.03 -0.58 -0.04 1.41 0.82 2gezH1 ARG 256 H -0.16 0.70 -0.17 -0.55 8.46 8.28 2gezH1 ARG 256 HA -0.88 -0.04 0.47 -0.75 4.34 3.13 2gezH1 ARG 256 HB2 -0.44 -0.09 0.15 -0.04 1.90 1.48 2gezH1 ARG 256 HB3 -0.20 0.26 0.17 -0.04 1.80 1.99 2gezH1 ARG 256 HG2 -0.17 0.05 -0.02 -0.04 1.67 1.49 2gezH1 ARG 256 HG3 -0.25 -0.06 -0.23 -0.04 1.67 1.09 2gezH1 ARG 256 HD2 -0.78 -0.01 0.03 -0.04 3.22 2.42 2gezH1 ARG 256 HD3 -0.18 0.03 -0.00 -0.04 3.22 3.02 2gezH1 ASP 257 H -0.11 0.63 -0.14 -0.55 8.40 8.24 2gezH1 ASP 257 HA -0.09 -0.04 0.19 -0.75 4.63 3.94 2gezH1 ASP 257 HB2 -0.02 0.14 0.09 -0.04 2.71 2.88 2gezH1 ASP 257 HB3 0.01 -0.09 -0.11 -0.04 2.70 2.47 2gezH1 VAL 258 H -0.05 0.50 -0.27 -0.55 8.24 7.88 2gezH1 VAL 258 HA -0.01 0.05 0.17 -0.75 4.13 3.58 2gezH1 VAL 258 HB -0.00 0.07 -0.07 -0.04 2.12 2.08 2gezH1 VAL 258 HG13 0.01 -0.04 -0.29 -0.04 0.97 0.61 2gezH1 VAL 258 HG23 0.01 0.10 -0.11 -0.04 0.95 0.90 2gezH1 ALA 259 H -0.08 0.34 -0.38 -0.55 8.40 7.73 2gezH1 ALA 259 HA -0.04 -0.03 0.37 -0.75 4.34 3.89 2gezH1 ALA 259 HB3 0.01 0.04 0.04 -0.04 1.41 1.46 2gezH1 ALA 260 H -0.24 0.90 0.06 -0.55 8.40 8.57 2gezH1 ALA 260 HA -0.81 -0.04 0.35 -0.75 4.34 3.08 2gezH1 ALA 260 HB3 -0.24 0.02 0.02 -0.04 1.41 1.17 2gezH1 LEU 261 H -0.13 0.71 -0.38 -0.55 8.37 8.02 2gezH1 LEU 261 HA -0.07 0.00 0.42 -0.75 4.35 3.95 2gezH1 LEU 261 HB2 -0.06 0.17 0.08 -0.04 1.64 1.78 2gezH1 LEU 261 HB3 -0.09 -0.11 -0.15 -0.04 1.64 1.25 2gezH1 LEU 261 HG -0.07 0.01 -0.05 -0.04 1.64 1.49 2gezH1 LEU 261 HD13 0.02 -0.01 -0.14 -0.04 0.93 0.76 2gezH1 LEU 261 HD23 -0.27 -0.02 -0.05 -0.04 0.89 0.51 2gezH1 MET 262 H -0.09 0.45 -0.20 -0.55 8.47 8.07 2gezH1 MET 262 HA -0.04 0.20 0.39 -0.75 4.52 4.32 2gezH1 MET 262 HB2 -0.06 0.08 0.20 -0.04 2.15 2.33 2gezH1 MET 262 HB3 -0.03 -0.07 -0.05 -0.04 2.03 1.83 2gezH1 MET 262 HG2 -0.02 0.09 -0.31 -0.04 2.63 2.35 2gezH1 MET 262 HG3 -0.03 0.13 -0.08 -0.04 2.56 2.54 2gezH1 MET 262 HE3 -0.01 -0.04 -0.04 -0.04 2.10 1.98 2gezH1 GLU 263 H -0.16 0.65 -0.03 -0.55 8.60 8.52 2gezH1 GLU 263 HA -0.01 0.01 0.19 -0.75 4.29 3.72 2gezH1 GLU 263 HB2 -0.15 -0.07 0.06 -0.04 2.09 1.90 2gezH1 GLU 263 HB3 -0.52 0.02 0.10 -0.04 1.99 1.54 2gezH1 GLU 263 HG2 0.25 0.05 -0.19 -0.04 2.34 2.40 2gezH1 GLU 263 HG3 0.05 -0.03 0.00 -0.04 2.34 2.33 2gezH1 PHE 264 H -0.14 0.61 -0.08 -0.55 8.34 8.18 2gezH1 PHE 264 HA -0.01 0.03 0.24 -0.75 4.62 4.12 2gezH1 PHE 264 HB2 -0.03 0.14 0.14 -0.04 3.15 3.37 2gezH1 PHE 264 HB3 -0.02 -0.05 0.03 -0.04 3.06 2.97 2gezH1 PHE 264 HD2 -0.01 0.01 -0.10 -0.04 7.28 7.13 2gezH1 PHE 264 HE2 -0.01 -0.02 -0.02 -0.04 7.38 7.29 2gezH1 PHE 264 HZ 0.00 -0.02 -0.01 -0.04 7.32 7.25 2gezH1 LYS 265 H 0.05 0.31 -0.10 -0.55 8.42 8.13 2gezH1 LYS 265 HA 0.02 0.15 0.78 -0.75 4.32 4.52 2gezH1 LYS 265 HB2 -0.01 -0.06 0.05 -0.04 1.87 1.81 2gezH1 LYS 265 HB3 -0.06 0.05 0.05 -0.04 1.79 1.79 2gezH1 LYS 265 HG2 -0.06 -0.03 0.09 -0.04 1.46 1.41 2gezH1 LYS 265 HG3 -0.03 0.01 0.08 -0.04 1.46 1.48 2gezH1 LYS 265 HD2 -0.11 0.00 -0.02 -0.04 1.69 1.53 2gezH1 LYS 265 HD3 -0.20 -0.03 -0.03 -0.04 1.68 1.38 2gezH1 LYS 265 HE2 -0.08 -0.01 -0.01 -0.04 2.99 2.85 2gezH1 LYS 265 HE3 -0.07 0.00 -0.01 -0.04 2.99 2.87 2gezH1 GLY 266 H 0.01 0.41 -0.21 -0.55 8.43 8.10 2gezH1 GLY 266 HA2 0.00 0.08 0.31 -0.51 4.01 3.88 2gezH1 GLY 266 HA3 -0.00 -0.01 0.35 -0.51 4.01 3.84 2gezH1 LEU 267 H -0.04 0.23 -0.21 -0.55 8.37 7.81 2gezH1 LEU 267 HA -0.02 0.02 0.27 -0.75 4.35 3.87 2gezH1 LEU 267 HB2 -0.05 0.00 -0.22 -0.04 1.64 1.33 2gezH1 LEU 267 HB3 -0.03 -0.18 -0.05 -0.04 1.64 1.34 2gezH1 LEU 267 HG -0.09 0.10 -0.15 -0.04 1.64 1.46 2gezH1 LEU 267 HD13 -0.19 -0.02 -0.20 -0.04 0.93 0.49 2gezH1 LEU 267 HD23 -0.06 0.01 -0.10 -0.04 0.89 0.69 2gezH1 SER 268 H -0.01 0.03 0.14 -0.55 8.46 8.08 2gezH1 SER 268 HA -0.01 0.22 0.53 -0.75 4.49 4.47 2gezH1 SER 268 HB2 -0.00 -0.06 0.15 -0.04 3.95 4.00 2gezH1 SER 268 HB3 -0.00 0.17 0.13 -0.04 3.93 4.19 2gezH1 LEU 269 H -0.00 0.17 0.10 -0.55 8.37 8.09 2gezH1 LEU 269 HA 0.00 0.16 0.35 -0.75 4.35 4.10 2gezH1 LEU 269 HB2 -0.00 -0.03 0.07 -0.04 1.64 1.64 2gezH1 LEU 269 HB3 0.00 0.01 -0.14 -0.04 1.64 1.48 2gezH1 LEU 269 HG 0.01 0.02 -0.23 -0.04 1.64 1.40 2gezH1 LEU 269 HD13 0.01 -0.01 -0.54 -0.04 0.93 0.35 2gezH1 LEU 269 HD23 0.01 0.01 -0.17 -0.04 0.89 0.71 2gezH1 LYS 270 H 0.01 0.07 -0.24 -0.55 8.42 7.70 2gezH1 LYS 270 HA 0.02 0.09 0.13 -0.75 4.32 3.81 2gezH1 LYS 270 HB2 0.01 0.02 0.04 -0.04 1.87 1.90 2gezH1 LYS 270 HB3 0.01 -0.02 0.01 -0.04 1.79 1.75 2gezH1 LYS 270 HG2 0.03 0.01 -0.16 -0.04 1.46 1.30 2gezH1 LYS 270 HG3 0.02 0.01 0.00 -0.04 1.46 1.45 2gezH1 LYS 270 HD2 0.00 0.03 -0.01 -0.04 1.69 1.66 2gezH1 LYS 270 HD3 0.01 -0.01 -0.05 -0.04 1.68 1.59 2gezH1 LYS 270 HE2 0.02 0.01 -0.07 -0.04 2.99 2.90 2gezH1 LYS 270 HE3 0.01 0.00 -0.04 -0.04 2.99 2.93 2gezH1 GLU 271 H 0.01 0.02 -0.21 -0.55 8.60 7.88 2gezH1 GLU 271 HA 0.05 0.10 0.42 -0.75 4.29 4.11 2gezH1 GLU 271 HB2 0.00 -0.08 0.09 -0.04 2.09 2.06 2gezH1 GLU 271 HB3 0.01 0.09 -0.05 -0.04 1.99 2.00 2gezH1 GLU 271 HG2 0.03 0.08 0.01 -0.04 2.34 2.41 2gezH1 GLU 271 HG3 0.02 -0.08 0.02 -0.04 2.34 2.26 2gezH1 ALA 272 H 0.01 0.54 -0.31 -0.55 8.40 8.09 2gezH1 ALA 272 HA 0.04 0.04 0.39 -0.75 4.34 4.05 2gezH1 ALA 272 HB3 -0.01 0.02 -0.05 -0.04 1.41 1.32 2gezH1 ALA 273 H 0.03 0.72 -0.09 -0.55 8.40 8.52 2gezH1 ALA 273 HA 0.03 0.04 0.41 -0.75 4.34 4.06 2gezH1 ALA 273 HB3 0.03 -0.00 -0.05 -0.04 1.41 1.35 2gezH1 ASP 274 H 0.07 0.55 -0.28 -0.55 8.40 8.19 2gezH1 ASP 274 HA 0.05 0.01 0.37 -0.75 4.63 4.30 2gezH1 ASP 274 HB2 0.10 0.13 0.12 -0.04 2.71 3.02 2gezH1 ASP 274 HB3 0.13 -0.03 -0.06 -0.04 2.70 2.70 2gezH1 PHE 275 H 0.21 0.36 -0.32 -0.55 8.34 8.04 2gezH1 PHE 275 HA 0.02 0.05 0.37 -0.75 4.62 4.31 2gezH1 PHE 275 HB2 0.01 0.13 0.07 -0.04 3.15 3.32 2gezH1 PHE 275 HB3 -0.00 0.03 0.07 -0.04 3.06 3.11 2gezH1 PHE 275 HD2 0.00 0.01 -0.19 -0.04 7.28 7.06 2gezH1 PHE 275 HE2 0.01 0.01 -0.09 -0.04 7.38 7.26 2gezH1 PHE 275 HZ 0.01 0.01 -0.07 -0.04 7.32 7.22 2gezH1 VAL 276 H 0.16 0.48 -0.17 -0.55 8.24 8.16 2gezH1 VAL 276 HA 0.07 0.05 0.35 -0.75 4.13 3.84 2gezH1 VAL 276 HB 0.03 0.08 0.04 -0.04 2.12 2.22 2gezH1 VAL 276 HG13 0.00 0.00 -0.26 -0.04 0.97 0.67 2gezH1 VAL 276 HG23 0.08 0.02 -0.08 -0.04 0.95 0.93 2gezH1 ILE 277 H -0.05 0.37 -0.35 -0.55 8.25 7.68 2gezH1 ILE 277 HA -0.11 0.03 0.21 -0.75 4.18 3.55 2gezH1 ILE 277 HB -0.27 0.06 0.02 -0.04 1.89 1.65 2gezH1 ILE 277 HG12 -0.05 0.17 -0.06 -0.04 1.49 1.50 2gezH1 ILE 277 HG13 -0.07 -0.01 -0.28 -0.04 1.21 0.80 2gezH1 ILE 277 HG23 -0.54 -0.01 -0.37 -0.04 0.93 -0.04 2gezH1 ILE 277 HD13 -0.04 -0.00 -0.34 -0.04 0.88 0.46 2gezH1 HIS 278 H -0.11 0.71 -0.06 -0.55 8.41 8.41 2gezH1 HIS 278 HA -0.07 0.18 0.83 -0.75 4.63 4.82 2gezH1 HIS 278 HB2 -0.07 0.12 0.10 -0.04 3.26 3.37 2gezH1 HIS 278 HB3 -0.07 -0.05 0.15 -0.04 3.20 3.19 2gezH1 HIS 278 HD2 -0.07 0.01 -0.00 -0.04 6.97 6.86 2gezH1 HIS 278 HE1 -0.15 -0.08 0.01 -0.04 7.75 7.49 2gezH1 GLU 279 H -0.17 0.17 -0.35 -0.55 8.60 7.71 2gezH1 GLU 279 HA -0.18 0.15 0.96 -0.75 4.29 4.46 2gezH1 GLU 279 HB2 -1.01 0.34 0.09 -0.04 2.09 1.47 2gezH1 GLU 279 HB3 -0.75 -0.08 -0.03 -0.04 1.99 1.08 2gezH1 GLU 279 HG2 -0.24 -0.09 -0.36 -0.04 2.34 1.61 2gezH1 GLU 279 HG3 -0.76 -0.10 -0.04 -0.04 2.34 1.41 2gezH1 ARG 280 H -0.17 0.32 0.10 -0.55 8.46 8.16 2gezH1 ARG 280 HA -0.08 0.15 0.81 -0.75 4.34 4.47 2gezH1 ARG 280 HB2 -0.01 0.03 0.09 -0.04 1.90 1.97 2gezH1 ARG 280 HB3 0.01 -0.02 0.15 -0.04 1.80 1.89 2gezH1 ARG 280 HG2 -0.31 -0.01 -0.27 -0.04 1.67 1.04 2gezH1 ARG 280 HG3 0.25 -0.05 -0.11 -0.04 1.67 1.71 2gezH1 ARG 280 HD2 0.09 -0.02 -0.03 -0.04 3.22 3.22 2gezH1 ARG 280 HD3 -0.02 0.08 -0.04 -0.04 3.22 3.21 2gezH1 THR 281 H -0.07 0.17 -0.15 -0.55 8.28 7.69 2gezH1 THR 281 HA -0.02 0.12 0.63 -0.75 4.39 4.37 2gezH1 THR 281 HB -0.03 0.04 -0.24 -0.04 4.32 4.04 2gezH1 THR 281 HG23 -0.06 -0.01 -0.05 -0.04 1.22 1.07 2gezH1 PRO 282 HA -0.01 0.07 0.33 -0.51 4.44 4.32 2gezH1 PRO 282 HB2 0.00 0.11 -0.06 -0.04 2.28 2.29 2gezH1 PRO 282 HB3 -0.00 0.01 0.05 -0.04 2.02 2.04 2gezH1 PRO 282 HG2 -0.00 -0.03 0.04 -0.04 2.03 2.00 2gezH1 PRO 282 HG3 -0.00 0.05 0.03 -0.04 2.03 2.06 2gezH1 PRO 282 HD2 -0.01 0.01 0.10 -0.04 3.68 3.74 2gezH1 PRO 282 HD3 -0.01 0.18 0.16 -0.04 3.65 3.93 2gezH1 LYS 283 H 0.00 0.09 0.17 -0.55 8.42 8.13 2gezH1 LYS 283 HA 0.03 0.04 0.47 -0.75 4.32 4.10 2gezH1 LYS 283 HB2 0.02 0.05 0.19 -0.04 1.87 2.09 2gezH1 LYS 283 HB3 0.01 -0.05 0.15 -0.04 1.79 1.86 2gezH1 LYS 283 HG2 0.02 -0.04 -0.00 -0.04 1.46 1.39 2gezH1 LYS 283 HG3 0.03 0.06 -0.13 -0.04 1.46 1.38 2gezH1 LYS 283 HD2 0.04 0.11 0.11 -0.04 1.69 1.90 2gezH1 LYS 283 HD3 0.04 0.01 0.12 -0.04 1.68 1.81 2gezH1 LYS 283 HE2 0.01 0.00 0.04 -0.04 2.99 3.00 2gezH1 LYS 283 HE3 0.01 -0.02 0.04 -0.04 2.99 2.98 2gezH1 GLY 284 H 0.04 0.48 0.26 -0.55 8.43 8.66 2gezH1 GLY 284 HA2 0.05 0.01 0.39 -0.51 4.01 3.96 2gezH1 GLY 284 HA3 0.03 0.05 0.36 -0.51 4.01 3.94 2gezH1 THR 285 H 0.02 0.14 -0.14 -0.55 8.28 7.75 2gezH1 THR 285 HA 0.02 0.14 1.07 -0.75 4.39 4.86 2gezH1 THR 285 HB 0.01 -0.19 0.06 -0.04 4.32 4.16 2gezH1 THR 285 HG23 0.01 0.06 -0.22 -0.04 1.22 1.03 2gezH1 VAL 286 H 0.02 0.11 0.07 -0.55 8.24 7.89 2gezH1 VAL 286 HA 0.02 0.25 1.09 -0.75 4.13 4.74 2gezH1 VAL 286 HB 0.00 0.01 -0.32 -0.04 2.12 1.77 2gezH1 VAL 286 HG13 -0.02 0.01 -0.17 -0.04 0.97 0.75 2gezH1 VAL 286 HG23 0.00 -0.01 -0.24 -0.04 0.95 0.66 2gezH1 GLY 287 H 0.03 0.89 0.45 -0.55 8.43 9.24 2gezH1 GLY 287 HA2 0.11 0.15 0.86 -0.51 4.01 4.61 2gezH1 GLY 287 HA3 0.10 0.03 0.42 -0.51 4.01 4.04 2gezH1 LEU 288 H 0.09 0.79 0.26 -0.55 8.37 8.95 2gezH1 LEU 288 HA 0.02 0.18 0.92 -0.75 4.35 4.71 2gezH1 LEU 288 HB2 0.02 -0.00 -0.11 -0.04 1.64 1.51 2gezH1 LEU 288 HB3 0.02 -0.09 -0.41 -0.04 1.64 1.12 2gezH1 LEU 288 HG 0.02 0.04 -0.17 -0.04 1.64 1.48 2gezH1 LEU 288 HD13 0.03 -0.01 -0.53 -0.04 0.93 0.38 2gezH1 LEU 288 HD23 0.01 -0.03 -0.21 -0.04 0.89 0.63 2gezH1 ILE 289 H 0.02 0.56 0.34 -0.55 8.25 8.63 2gezH1 ILE 289 HA 0.04 0.24 1.00 -0.75 4.18 4.70 2gezH1 ILE 289 HB 0.02 -0.04 0.11 -0.04 1.89 1.95 2gezH1 ILE 289 HG12 0.01 0.20 0.14 -0.04 1.49 1.80 2gezH1 ILE 289 HG13 0.02 -0.09 -0.20 -0.04 1.21 0.90 2gezH1 ILE 289 HG23 0.01 0.01 -0.11 -0.04 0.93 0.81 2gezH1 ILE 289 HD13 0.01 -0.02 -0.14 -0.04 0.88 0.69 2gezH1 ALA 290 H 0.03 0.36 0.32 -0.55 8.40 8.56 2gezH1 ALA 290 HA 0.02 0.22 0.78 -0.75 4.34 4.60 2gezH1 ALA 290 HB3 0.02 -0.01 -0.06 -0.04 1.41 1.33 2gezH1 VAL 291 H 0.02 0.41 0.33 -0.55 8.24 8.44 2gezH1 VAL 291 HA 0.01 0.41 1.00 -0.75 4.13 4.79 2gezH1 VAL 291 HB 0.00 0.07 0.01 -0.04 2.12 2.17 2gezH1 VAL 291 HG13 0.01 -0.00 -0.10 -0.04 0.97 0.84 2gezH1 VAL 291 HG23 0.01 -0.05 -0.21 -0.04 0.95 0.66 2gezH1 SER 292 H 0.00 0.41 0.25 -0.55 8.46 8.58 2gezH1 SER 292 HA 0.00 0.30 0.95 -0.75 4.49 5.00 2gezH1 SER 292 HB2 -0.00 0.12 0.24 -0.04 3.95 4.26 2gezH1 SER 292 HB3 -0.00 -0.01 0.10 -0.04 3.93 3.98 2gezH1 ALA 293 H -0.00 0.59 0.26 -0.55 8.40 8.70 2gezH1 ALA 293 HA -0.00 0.10 0.49 -0.75 4.34 4.18 2gezH1 ALA 293 HB3 0.00 0.06 0.21 -0.04 1.41 1.64 2gezH1 ALA 294 H -0.00 -0.02 -0.17 -0.55 8.40 7.66 2gezH1 ALA 294 HA -0.01 0.19 0.52 -0.75 4.34 4.29 2gezH1 ALA 294 HB3 -0.01 -0.02 0.06 -0.04 1.41 1.41 2gezH1 GLY 295 H -0.01 0.19 -0.36 -0.55 8.43 7.71 2gezH1 GLY 295 HA2 -0.01 0.11 0.24 -0.51 4.01 3.84 2gezH1 GLY 295 HA3 -0.01 0.16 0.78 -0.51 4.01 4.43 2gezH1 GLU 296 H -0.01 -0.11 0.05 -0.55 8.60 7.99 2gezH1 GLU 296 HA -0.02 0.16 0.59 -0.75 4.29 4.27 2gezH1 GLU 296 HB2 -0.01 -0.12 0.09 -0.04 2.09 2.01 2gezH1 GLU 296 HB3 -0.01 0.06 0.04 -0.04 1.99 2.04 2gezH1 GLU 296 HG2 -0.01 -0.05 -0.02 -0.04 2.34 2.21 2gezH1 GLU 296 HG3 -0.01 -0.03 0.02 -0.04 2.34 2.28 2gezH1 ILE 297 H -0.02 0.21 0.22 -0.55 8.25 8.10 2gezH1 ILE 297 HA 0.01 0.39 1.02 -0.75 4.18 4.85 2gezH1 ILE 297 HB -0.01 -0.06 0.09 -0.04 1.89 1.87 2gezH1 ILE 297 HG12 0.03 0.03 0.00 -0.04 1.49 1.51 2gezH1 ILE 297 HG13 0.01 0.04 -0.41 -0.04 1.21 0.80 2gezH1 ILE 297 HG23 0.05 -0.01 -0.15 -0.04 0.93 0.77 2gezH1 ILE 297 HD13 0.05 0.01 -0.07 -0.04 0.88 0.82 2gezH1 ALA 298 H 0.02 0.73 0.27 -0.55 8.40 8.88 2gezH1 ALA 298 HA 0.03 0.08 0.63 -0.75 4.34 4.32 2gezH1 ALA 298 HB3 0.02 -0.01 -0.12 -0.04 1.41 1.26 2gezH1 MET 299 H 0.07 0.10 -0.00 -0.55 8.47 8.09 2gezH1 MET 299 HA 0.08 0.41 0.99 -0.75 4.52 5.24 2gezH1 MET 299 HB2 0.12 -0.06 0.07 -0.04 2.15 2.23 2gezH1 MET 299 HB3 0.10 0.09 0.12 -0.04 2.03 2.30 2gezH1 MET 299 HG2 0.05 0.02 -0.01 -0.04 2.63 2.64 2gezH1 MET 299 HG3 0.06 -0.16 -0.44 -0.04 2.56 1.98 2gezH1 MET 299 HE3 0.09 -0.01 -0.18 -0.04 2.10 1.95 2gezH1 PRO 300 HA -0.00 0.04 0.46 -0.51 4.44 4.43 2gezH1 PRO 300 HB2 -0.15 0.06 -0.13 -0.04 2.28 2.01 2gezH1 PRO 300 HB3 0.00 -0.02 -0.03 -0.04 2.02 1.93 2gezH1 PRO 300 HG2 -0.00 0.06 -0.15 -0.04 2.03 1.90 2gezH1 PRO 300 HG3 0.01 -0.10 -0.46 -0.04 2.03 1.45 2gezH1 PRO 300 HD2 0.04 0.23 -0.34 -0.04 3.68 3.58 2gezH1 PRO 300 HD3 0.04 -0.06 -0.15 -0.04 3.65 3.44 2gezH1 PHE 301 H -0.35 0.31 0.21 -0.55 8.34 7.96 2gezH1 PHE 301 HA -0.09 0.17 0.59 -0.75 4.62 4.54 2gezH1 PHE 301 HB2 -0.03 -0.13 0.03 -0.04 3.15 2.98 2gezH1 PHE 301 HB3 -0.03 0.12 0.07 -0.04 3.06 3.19 2gezH1 PHE 301 HD2 -0.00 0.11 -0.38 -0.04 7.28 6.97 2gezH1 PHE 301 HE2 0.02 0.07 -0.30 -0.04 7.38 7.13 2gezH1 PHE 301 HZ 0.03 -0.08 -0.44 -0.04 7.32 6.78 2gezH1 ASN 302 H 0.07 0.50 0.21 -0.55 8.53 8.76 2gezH1 ASN 302 HA 0.04 0.26 0.89 -0.75 4.76 5.19 2gezH1 ASN 302 HB2 0.05 -0.09 0.26 -0.04 2.88 3.06 2gezH1 ASN 302 HB3 -0.08 0.12 -0.05 -0.04 2.79 2.74 2gezH1 ASN 302 HD21 -0.04 -0.08 -0.15 -0.04 7.03 6.72 2gezH1 ASN 302 HD22 -0.10 0.58 0.05 -0.04 7.74 8.24 2gezH1 THR 303 H 0.30 0.07 -0.15 -0.55 8.28 7.95 2gezH1 THR 303 HA 0.10 0.08 0.62 -0.75 4.39 4.43 2gezH1 THR 303 HB 0.06 -0.10 0.16 -0.04 4.32 4.40 2gezH1 THR 303 HG23 0.06 -0.00 -0.24 -0.04 1.22 0.99 2gezH1 THR 304 H 0.10 0.12 0.14 -0.55 8.28 8.09 2gezH1 THR 304 HA 0.19 0.12 0.57 -0.75 4.39 4.51 2gezH1 THR 304 HB 0.14 -0.02 0.04 -0.04 4.32 4.44 2gezH1 THR 304 HG23 0.23 0.00 -0.01 -0.04 1.22 1.41 2gezH1 GLY 305 H 0.02 0.08 -0.06 -0.55 8.43 7.93 2gezH1 GLY 305 HA2 -0.16 0.18 0.45 -0.51 4.01 3.97 2gezH1 GLY 305 HA3 -0.41 0.01 0.25 -0.51 4.01 3.35 2gezH1 MET 306 H -0.84 0.73 0.07 -0.55 8.47 7.89 2gezH1 MET 306 HA -0.41 -0.00 0.40 -0.75 4.52 3.76 2gezH1 MET 306 HB2 -0.64 -0.02 -0.12 -0.04 2.15 1.33 2gezH1 MET 306 HB3 -1.01 0.02 -0.09 -0.04 2.03 0.90 2gezH1 MET 306 HG2 -0.21 0.16 -0.34 -0.04 2.63 2.20 2gezH1 MET 306 HG3 -0.17 -0.02 -0.07 -0.04 2.56 2.26 2gezH1 MET 306 HE3 -0.03 0.04 -0.18 -0.04 2.10 1.90 2gezH1 PHE 307 H -0.33 0.07 0.08 -0.55 8.34 7.61 2gezH1 PHE 307 HA -0.26 0.11 0.69 -0.75 4.62 4.41 2gezH1 PHE 307 HB2 -0.14 0.01 0.17 -0.04 3.15 3.15 2gezH1 PHE 307 HB3 -0.14 0.01 0.09 -0.04 3.06 2.98 2gezH1 PHE 307 HD2 -0.17 0.03 0.06 -0.04 7.28 7.16 2gezH1 PHE 307 HE2 -0.14 -0.01 -0.01 -0.04 7.38 7.19 2gezH1 PHE 307 HZ -0.09 -0.01 -0.01 -0.04 7.32 7.17 2gezH1 ARG 308 H -0.06 0.53 0.49 -0.55 8.46 8.87 2gezH1 ARG 308 HA -0.02 0.10 0.67 -0.75 4.34 4.34 2gezH1 ARG 308 HB2 -0.02 -0.08 0.06 -0.04 1.90 1.82 2gezH1 ARG 308 HB3 -0.10 0.10 -0.35 -0.04 1.80 1.41 2gezH1 ARG 308 HG2 -0.12 0.17 -0.06 -0.04 1.67 1.62 2gezH1 ARG 308 HG3 -0.01 -0.12 -0.28 -0.04 1.67 1.21 2gezH1 ARG 308 HD2 0.03 -0.04 -0.11 -0.04 3.22 3.05 2gezH1 ARG 308 HD3 -0.19 0.08 -0.17 -0.04 3.22 2.90 2gezH1 ALA 309 H 0.00 0.35 0.25 -0.55 8.40 8.46 2gezH1 ALA 309 HA 0.00 0.22 0.60 -0.75 4.34 4.41 2gezH1 ALA 309 HB3 -0.01 0.00 0.13 -0.04 1.41 1.50 2gezH1 CYS 310 H 0.02 0.48 0.39 -0.55 8.50 8.84 2gezH1 CYS 310 HA 0.04 0.14 0.72 -0.75 4.58 4.72 2gezH1 CYS 310 HB2 0.08 0.00 0.10 -0.04 2.97 3.11 2gezH1 CYS 310 HB3 0.07 0.04 -0.26 -0.04 2.97 2.78 2gezH1 ALA 311 H 0.07 0.27 0.22 -0.55 8.40 8.41 2gezH1 ALA 311 HA 0.12 0.19 0.48 -0.75 4.34 4.37 2gezH1 ALA 311 HB3 0.01 0.03 0.03 -0.04 1.41 1.44 2gezH1 THR 312 H 0.09 0.60 0.27 -0.55 8.28 8.69 2gezH1 THR 312 HA 0.04 0.22 0.87 -0.75 4.39 4.76 2gezH1 THR 312 HB 0.03 -0.03 0.18 -0.04 4.32 4.46 2gezH1 THR 312 HG23 0.06 0.04 -0.18 -0.04 1.22 1.10 2gezH1 GLU 313 H 0.01 0.22 0.19 -0.55 8.60 8.47 2gezH1 GLU 313 HA 0.01 0.12 0.49 -0.75 4.29 4.15 2gezH1 GLU 313 HB2 -0.00 0.02 0.18 -0.04 2.09 2.24 2gezH1 GLU 313 HB3 -0.00 0.00 0.11 -0.04 1.99 2.05 2gezH1 GLU 313 HG2 -0.00 0.03 -0.04 -0.04 2.34 2.29 2gezH1 GLU 313 HG3 0.00 0.01 0.10 -0.04 2.34 2.42 2gezH1 ASP 314 H 0.02 0.03 -0.19 -0.55 8.40 7.72 2gezH1 ASP 314 HA 0.02 0.12 0.41 -0.75 4.63 4.42 2gezH1 ASP 314 HB2 0.04 -0.07 0.03 -0.04 2.71 2.67 2gezH1 ASP 314 HB3 0.03 0.04 0.07 -0.04 2.70 2.81 2gezH1 GLY 315 H 0.05 0.48 -0.51 -0.55 8.43 7.91 2gezH1 GLY 315 HA2 0.02 0.04 0.26 -0.51 4.01 3.82 2gezH1 GLY 315 HA3 0.03 0.15 0.72 -0.51 4.01 4.41 2gezH1 TYR 316 H 0.16 -0.06 -0.13 -0.55 8.29 7.70 2gezH1 TYR 316 HA 0.01 0.10 0.45 -0.75 4.56 4.35 2gezH1 TYR 316 HB2 0.00 0.01 0.04 -0.04 3.06 3.07 2gezH1 TYR 316 HB3 0.00 -0.11 0.00 -0.04 2.98 2.83 2gezH1 TYR 316 HD2 0.01 -0.04 -0.19 -0.04 7.15 6.89 2gezH1 TYR 316 HE2 0.01 -0.02 -0.12 -0.04 6.85 6.69 2gezH1 SER 317 H -0.65 0.31 0.31 -0.55 8.46 7.88 2gezH1 SER 317 HA -0.20 0.26 0.39 -0.75 4.49 4.18 2gezH1 SER 317 HB2 -0.10 -0.01 0.18 -0.04 3.95 3.98 2gezH1 SER 317 HB3 -0.09 0.07 0.15 -0.04 3.93 4.02 2gezH1 GLU 318 H -0.12 0.46 0.30 -0.55 8.60 8.70 2gezH1 GLU 318 HA -0.13 0.09 0.71 -0.75 4.29 4.21 2gezH1 GLU 318 HB2 -0.22 0.07 -0.27 -0.04 2.09 1.62 2gezH1 GLU 318 HB3 0.05 -0.08 -0.05 -0.04 1.99 1.87 2gezH1 GLU 318 HG2 0.02 0.11 -0.17 -0.04 2.34 2.26 2gezH1 GLU 318 HG3 0.05 0.02 0.01 -0.04 2.34 2.38 2gezH1 ILE 319 H -0.03 0.22 0.24 -0.55 8.25 8.13 2gezH1 ILE 319 HA -0.01 0.26 0.70 -0.75 4.18 4.37 2gezH1 ILE 319 HB -0.01 0.09 0.24 -0.04 1.89 2.17 2gezH1 ILE 319 HG12 -0.02 -0.05 0.10 -0.04 1.49 1.48 2gezH1 ILE 319 HG13 -0.01 0.01 -0.12 -0.04 1.21 1.05 2gezH1 ILE 319 HG23 -0.02 -0.02 0.02 -0.04 0.93 0.86 2gezH1 ILE 319 HD13 -0.01 -0.00 -0.00 -0.04 0.88 0.83 2gezH1 ALA 320 H -0.04 0.71 0.34 -0.55 8.40 8.86 2gezH1 ALA 320 HA -0.04 0.06 0.73 -0.75 4.34 4.34 2gezH1 ALA 320 HB3 0.01 0.04 -0.18 -0.04 1.41 1.24 2gezH1 ILE 321 H -0.21 0.05 0.18 -0.55 8.25 7.72 2gezH1 ILE 321 HA -0.67 0.24 0.80 -0.75 4.18 3.80 2gezH1 ILE 321 HB -2.25 -0.00 0.05 -0.04 1.89 -0.35 2gezH1 ILE 321 HG12 -0.32 0.07 -0.22 -0.04 1.49 0.98 2gezH1 ILE 321 HG13 -0.37 -0.05 -0.16 -0.04 1.21 0.59 2gezH1 ILE 321 HG23 -1.59 -0.01 -0.10 -0.04 0.93 -0.81 2gezH1 ILE 321 HD13 -0.32 0.01 -0.04 -0.04 0.88 0.48 2gezH1 TRP 322 H -0.03 -0.01 0.17 -0.55 7.97 7.55 2gezH1 TRP 322 HA 0.06 0.27 0.84 -0.75 4.62 5.04 2gezH1 TRP 322 HB2 0.02 -0.02 0.09 -0.04 3.23 3.28 2gezH1 TRP 322 HB3 0.05 0.09 0.18 -0.04 3.23 3.51 2gezH1 TRP 322 HD1 -0.01 0.38 -0.01 -0.04 7.22 7.54 2gezH1 TRP 322 HE1 -0.06 -0.03 -0.12 -0.04 10.20 9.95 2gezH1 TRP 322 HE3 -0.01 0.02 0.05 -0.04 7.59 7.61 2gezH1 TRP 322 HZ2 -0.02 0.00 -0.05 -0.04 7.44 7.33 2gezH1 TRP 322 HZ3 0.00 0.01 0.00 -0.04 7.13 7.11 2gezH1 TRP 322 HH2 0.01 0.01 -0.02 -0.04 7.19 7.15 2gezH1 PRO 323 HA 0.29 0.08 0.41 -0.51 4.44 4.71 2gezH1 PRO 323 HB2 0.09 -0.13 0.00 -0.04 2.28 2.20 2gezH1 PRO 323 HB3 -0.00 0.04 0.10 -0.04 2.02 2.11 2gezH1 PRO 323 HG2 0.10 0.05 0.08 -0.04 2.03 2.22 2gezH1 PRO 323 HG3 0.06 0.12 0.05 -0.04 2.03 2.22 2gezH1 PRO 323 HD2 0.32 0.05 0.21 -0.04 3.68 4.21 2gezH1 PRO 323 HD3 0.48 0.37 0.25 -0.04 3.65 4.71 2gezH1 THR 324 H 0.11 0.13 0.12 -0.55 8.28 8.09 2gezH1 THR 324 HA 0.11 0.12 0.26 -0.75 4.39 4.13 2gezH1 THR 324 HB 0.08 0.02 0.11 -0.04 4.32 4.49 2gezH1 THR 324 HG23 0.11 0.01 0.01 -0.04 1.22 1.31 2gezH1 THR 325 H 0.06 -0.03 -0.50 -0.55 8.28 7.26 2gezH1 THR 325 HA 0.05 0.16 0.01 -0.75 4.39 3.86 2gezH1 THR 325 HB 0.01 -0.04 -0.03 -0.04 4.32 4.22 2gezH1 THR 325 HG23 0.01 -0.00 0.04 -0.04 1.22 1.22