============================================================================= 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. TYR 9 0.840 1.540 -2.432 -6.343 -99.200 -91.000 HIS 14 0.900 -15.038 -5.578 -6.167 -99.200 -91.000 PHE 15 1.000 -12.688 -3.880 -11.873 -99.200 -91.000 PHE 26 1.000 -2.573 1.267 2.741 -99.200 -91.000 PHE 29 1.000 -2.601 -0.730 9.184 -99.200 -91.000 TYR 49 0.840 -3.070 -0.468 -11.076 -99.200 -91.000 PHE 51 1.000 2.122 3.113 -7.734 -99.200 -91.000 PHE 54 1.000 1.503 4.495 5.153 -99.200 -91.000 PHE 70 1.000 -7.291 -6.071 6.210 -99.200 -91.000 HIS 81 0.900 8.521 -1.333 1.899 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2dnzA8 GLY 224 HA2 -0.01 -0.08 0.20 -0.51 4.01 3.60 2dnzA8 GLY 224 HA3 -0.01 -0.08 0.15 -0.51 4.01 3.56 2dnzA8 SER 225 H -0.01 0.05 0.09 -0.55 8.46 8.04 2dnzA8 SER 225 HA -0.01 0.05 0.34 -0.75 4.49 4.12 2dnzA8 SER 225 HB2 -0.01 -0.01 0.15 -0.04 3.95 4.04 2dnzA8 SER 225 HB3 -0.01 -0.07 0.08 -0.04 3.93 3.90 2dnzA8 SER 226 H -0.01 -0.06 -0.22 -0.55 8.46 7.63 2dnzA8 SER 226 HA -0.00 0.09 0.48 -0.75 4.49 4.30 2dnzA8 SER 226 HB2 0.00 -0.05 0.08 -0.04 3.95 3.94 2dnzA8 SER 226 HB3 -0.00 -0.02 0.05 -0.04 3.93 3.92 2dnzA8 GLY 227 H 0.00 0.06 0.14 -0.55 8.43 8.08 2dnzA8 GLY 227 HA2 0.01 -0.07 0.31 -0.51 4.01 3.75 2dnzA8 GLY 227 HA3 -0.01 0.21 0.80 -0.51 4.01 4.50 2dnzA8 SER 228 H -0.03 0.18 0.17 -0.55 8.46 8.24 2dnzA8 SER 228 HA -0.20 0.05 0.33 -0.75 4.49 3.92 2dnzA8 SER 228 HB2 -0.06 0.19 -0.30 -0.04 3.95 3.74 2dnzA8 SER 228 HB3 -0.11 -0.05 0.25 -0.04 3.93 3.98 2dnzA8 SER 229 H 0.07 -0.07 -0.10 -0.55 8.46 7.81 2dnzA8 SER 229 HA 0.12 0.20 0.85 -0.75 4.49 4.90 2dnzA8 SER 229 HB2 0.14 -0.02 -0.13 -0.04 3.95 3.90 2dnzA8 SER 229 HB3 0.08 0.09 -0.24 -0.04 3.93 3.82 2dnzA8 GLY 230 H 0.13 -0.04 0.16 -0.55 8.43 8.14 2dnzA8 GLY 230 HA2 0.22 0.09 0.71 -0.51 4.01 4.53 2dnzA8 GLY 230 HA3 0.17 0.01 0.41 -0.51 4.01 4.09 2dnzA8 LEU 231 H 0.27 0.74 0.48 -0.55 8.37 9.32 2dnzA8 LEU 231 HA 0.23 0.10 1.04 -0.75 4.35 4.97 2dnzA8 LEU 231 HB2 0.50 -0.03 0.07 -0.04 1.64 2.14 2dnzA8 LEU 231 HB3 0.31 0.05 -0.06 -0.04 1.64 1.90 2dnzA8 LEU 231 HG 0.24 0.05 -0.27 -0.04 1.64 1.62 2dnzA8 LEU 231 HD13 0.02 0.05 -0.08 -0.04 0.93 0.89 2dnzA8 LEU 231 HD23 -0.16 0.05 -0.10 -0.04 0.89 0.63 2dnzA8 TYR 232 H 0.27 0.64 0.37 -0.55 8.29 9.01 2dnzA8 TYR 232 HA 0.02 0.17 1.14 -0.75 4.56 5.13 2dnzA8 TYR 232 HB2 0.19 -0.07 0.01 -0.04 3.06 3.15 2dnzA8 TYR 232 HB3 0.10 0.15 0.04 -0.04 2.98 3.23 2dnzA8 TYR 232 HD2 -0.14 -0.07 -0.22 -0.04 7.15 6.68 2dnzA8 TYR 232 HE2 -0.04 -0.03 -0.17 -0.04 6.85 6.57 2dnzA8 VAL 233 H -0.68 0.51 0.38 -0.55 8.24 7.90 2dnzA8 VAL 233 HA -0.06 0.32 1.13 -0.75 4.13 4.76 2dnzA8 VAL 233 HB 0.02 0.02 -0.10 -0.04 2.12 2.02 2dnzA8 VAL 233 HG13 -0.31 -0.03 0.04 -0.04 0.97 0.63 2dnzA8 VAL 233 HG23 0.03 0.01 -0.12 -0.04 0.95 0.82 2dnzA8 GLY 234 H -0.02 0.76 0.40 -0.55 8.43 9.01 2dnzA8 GLY 234 HA2 -0.09 0.18 1.03 -0.51 4.01 4.62 2dnzA8 GLY 234 HA3 0.08 -0.01 0.35 -0.51 4.01 3.91 2dnzA8 SER 235 H -0.01 0.16 0.21 -0.55 8.46 8.28 2dnzA8 SER 235 HA -0.05 0.05 0.40 -0.75 4.49 4.14 2dnzA8 SER 235 HB2 0.01 -0.06 -0.17 -0.04 3.95 3.69 2dnzA8 SER 235 HB3 0.01 -0.01 0.50 -0.04 3.93 4.39 2dnzA8 LEU 236 H -0.05 0.41 0.20 -0.55 8.37 8.39 2dnzA8 LEU 236 HA -0.00 0.17 0.75 -0.75 4.35 4.51 2dnzA8 LEU 236 HB2 -0.05 -0.13 -0.20 -0.04 1.64 1.22 2dnzA8 LEU 236 HB3 -0.00 -0.09 0.01 -0.04 1.64 1.52 2dnzA8 LEU 236 HG -0.04 0.08 -0.44 -0.04 1.64 1.20 2dnzA8 LEU 236 HD13 -0.08 -0.02 -0.34 -0.04 0.93 0.45 2dnzA8 LEU 236 HD23 0.04 0.02 -0.19 -0.04 0.89 0.72 2dnzA8 HIS 237 H 0.07 0.11 0.11 -0.55 8.41 8.15 2dnzA8 HIS 237 HA -0.13 0.24 0.88 -0.75 4.63 4.86 2dnzA8 HIS 237 HB2 -0.02 0.08 0.06 -0.04 3.26 3.34 2dnzA8 HIS 237 HB3 0.00 -0.09 0.11 -0.04 3.20 3.18 2dnzA8 HIS 237 HD2 0.02 0.07 0.03 -0.04 6.97 7.04 2dnzA8 HIS 237 HE1 0.16 0.04 0.03 -0.04 7.75 7.94 2dnzA8 PHE 238 H -0.04 0.21 0.12 -0.55 8.34 8.08 2dnzA8 PHE 238 HA 0.09 0.20 0.28 -0.75 4.62 4.44 2dnzA8 PHE 238 HB2 0.24 -0.11 0.11 -0.04 3.15 3.35 2dnzA8 PHE 238 HB3 0.09 0.01 -0.03 -0.04 3.06 3.09 2dnzA8 PHE 238 HD2 0.02 -0.09 -0.08 -0.04 7.28 7.08 2dnzA8 PHE 238 HE2 0.00 0.02 -0.30 -0.04 7.38 7.06 2dnzA8 PHE 238 HZ 0.01 -0.05 -0.03 -0.04 7.32 7.21 2dnzA8 ASN 239 H 0.32 -0.01 -0.28 -0.55 8.53 8.01 2dnzA8 ASN 239 HA 0.03 0.02 0.33 -0.75 4.76 4.38 2dnzA8 ASN 239 HB2 -0.47 -0.07 0.02 -0.04 2.88 2.32 2dnzA8 ASN 239 HB3 -0.14 0.01 -0.06 -0.04 2.79 2.56 2dnzA8 ASN 239 HD21 -0.05 0.02 0.02 -0.04 7.03 6.98 2dnzA8 ASN 239 HD22 -0.04 0.01 0.01 -0.04 7.74 7.67 2dnzA8 ILE 240 H 0.01 0.14 -0.25 -0.55 8.25 7.60 2dnzA8 ILE 240 HA -0.00 -0.11 0.31 -0.75 4.18 3.63 2dnzA8 ILE 240 HB 0.02 0.13 -0.06 -0.04 1.89 1.94 2dnzA8 ILE 240 HG12 0.07 0.05 0.19 -0.04 1.49 1.75 2dnzA8 ILE 240 HG13 0.04 -0.15 0.08 -0.04 1.21 1.14 2dnzA8 ILE 240 HG23 -0.00 -0.05 -0.09 -0.04 0.93 0.75 2dnzA8 ILE 240 HD13 0.02 -0.00 0.02 -0.04 0.88 0.88 2dnzA8 THR 241 H -0.01 0.04 0.21 -0.55 8.28 7.98 2dnzA8 THR 241 HA -0.02 0.27 0.71 -0.75 4.39 4.60 2dnzA8 THR 241 HB -0.01 0.35 -0.03 -0.04 4.32 4.59 2dnzA8 THR 241 HG23 -0.01 -0.08 -0.02 -0.04 1.22 1.07 2dnzA8 GLU 242 H -0.03 0.27 0.17 -0.55 8.60 8.46 2dnzA8 GLU 242 HA -0.07 0.10 0.39 -0.75 4.29 3.95 2dnzA8 GLU 242 HB2 -0.04 0.01 0.16 -0.04 2.09 2.18 2dnzA8 GLU 242 HB3 -0.05 0.06 -0.01 -0.04 1.99 1.95 2dnzA8 GLU 242 HG2 -0.07 0.04 -0.06 -0.04 2.34 2.22 2dnzA8 GLU 242 HG3 -0.06 -0.03 0.01 -0.04 2.34 2.22 2dnzA8 ASP 243 H -0.02 0.13 -0.12 -0.55 8.40 7.84 2dnzA8 ASP 243 HA -0.01 0.11 0.37 -0.75 4.63 4.35 2dnzA8 ASP 243 HB2 -0.01 0.05 0.08 -0.04 2.71 2.79 2dnzA8 ASP 243 HB3 -0.01 -0.02 0.04 -0.04 2.70 2.67 2dnzA8 MET 244 H -0.01 0.07 -0.43 -0.55 8.47 7.56 2dnzA8 MET 244 HA 0.03 0.13 0.46 -0.75 4.52 4.40 2dnzA8 MET 244 HB2 0.01 -0.05 0.18 -0.04 2.15 2.25 2dnzA8 MET 244 HB3 0.05 0.07 -0.02 -0.04 2.03 2.10 2dnzA8 MET 244 HG2 0.02 0.07 -0.01 -0.04 2.63 2.67 2dnzA8 MET 244 HG3 0.01 -0.04 0.00 -0.04 2.56 2.48 2dnzA8 MET 244 HE3 -0.02 0.01 -0.10 -0.04 2.10 1.95 2dnzA8 LEU 245 H -0.03 0.37 -0.10 -0.55 8.37 8.07 2dnzA8 LEU 245 HA 0.04 0.09 0.40 -0.75 4.35 4.12 2dnzA8 LEU 245 HB2 -0.14 0.03 0.11 -0.04 1.64 1.59 2dnzA8 LEU 245 HB3 -0.37 0.01 -0.09 -0.04 1.64 1.15 2dnzA8 LEU 245 HG -0.08 0.03 -0.07 -0.04 1.64 1.48 2dnzA8 LEU 245 HD13 -0.18 -0.02 -0.22 -0.04 0.93 0.47 2dnzA8 LEU 245 HD23 -0.14 0.01 -0.12 -0.04 0.89 0.59 2dnzA8 ARG 246 H -0.04 0.67 -0.10 -0.55 8.46 8.44 2dnzA8 ARG 246 HA -0.02 0.06 0.37 -0.75 4.34 3.98 2dnzA8 ARG 246 HB2 -0.03 -0.00 0.01 -0.04 1.90 1.83 2dnzA8 ARG 246 HB3 -0.04 0.08 0.07 -0.04 1.80 1.86 2dnzA8 ARG 246 HG2 -0.00 0.14 0.14 -0.04 1.67 1.91 2dnzA8 ARG 246 HG3 0.00 0.01 -0.30 -0.04 1.67 1.34 2dnzA8 ARG 246 HD2 -0.02 0.01 -0.06 -0.04 3.22 3.11 2dnzA8 ARG 246 HD3 -0.02 -0.10 -0.10 -0.04 3.22 2.96 2dnzA8 GLY 247 H 0.03 0.43 -0.23 -0.55 8.43 8.11 2dnzA8 GLY 247 HA2 0.02 0.03 0.41 -0.51 4.01 3.96 2dnzA8 GLY 247 HA3 0.03 0.08 0.31 -0.51 4.01 3.92 2dnzA8 ILE 248 H 0.15 0.34 -0.36 -0.55 8.25 7.83 2dnzA8 ILE 248 HA 0.02 0.09 0.51 -0.75 4.18 4.04 2dnzA8 ILE 248 HB 0.45 0.03 0.11 -0.04 1.89 2.43 2dnzA8 ILE 248 HG12 0.17 -0.02 0.00 -0.04 1.49 1.60 2dnzA8 ILE 248 HG13 0.14 0.06 0.08 -0.04 1.21 1.45 2dnzA8 ILE 248 HG23 0.14 -0.01 -0.08 -0.04 0.93 0.94 2dnzA8 ILE 248 HD13 0.25 -0.03 -0.07 -0.04 0.88 0.99 2dnzA8 PHE 249 H 0.49 0.47 -0.16 -0.55 8.34 8.59 2dnzA8 PHE 249 HA 0.52 0.09 0.56 -0.75 4.62 5.04 2dnzA8 PHE 249 HB2 0.01 0.10 0.06 -0.04 3.15 3.27 2dnzA8 PHE 249 HB3 0.07 -0.08 0.04 -0.04 3.06 3.05 2dnzA8 PHE 249 HD2 0.24 -0.02 -0.06 -0.04 7.28 7.40 2dnzA8 PHE 249 HE2 0.13 -0.03 -0.13 -0.04 7.38 7.31 2dnzA8 PHE 249 HZ 0.04 -0.01 -0.15 -0.04 7.32 7.16 2dnzA8 GLU 250 H 0.14 0.14 -0.69 -0.55 8.60 7.64 2dnzA8 GLU 250 HA 0.09 0.03 0.54 -0.75 4.29 4.19 2dnzA8 GLU 250 HB2 0.03 -0.08 0.06 -0.04 2.09 2.06 2dnzA8 GLU 250 HB3 0.02 0.17 0.22 -0.04 1.99 2.36 2dnzA8 GLU 250 HG2 -0.00 -0.07 -0.03 -0.04 2.34 2.20 2dnzA8 GLU 250 HG3 -0.02 0.06 -0.28 -0.04 2.34 2.06 2dnzA8 PRO 251 HA -0.07 0.03 0.32 -0.51 4.44 4.21 2dnzA8 PRO 251 HB2 -0.34 0.01 0.05 -0.04 2.28 1.96 2dnzA8 PRO 251 HB3 -0.15 -0.04 0.09 -0.04 2.02 1.88 2dnzA8 PRO 251 HG2 -0.62 0.14 -0.04 -0.04 2.03 1.46 2dnzA8 PRO 251 HG3 -0.23 0.01 0.08 -0.04 2.03 1.85 2dnzA8 PRO 251 HD2 -0.07 -0.05 -0.34 -0.04 3.68 3.18 2dnzA8 PRO 251 HD3 -0.07 0.13 0.17 -0.04 3.65 3.84 2dnzA8 PHE 252 H 0.10 0.07 -1.32 -0.55 8.34 6.64 2dnzA8 PHE 252 HA -0.05 0.14 0.78 -0.75 4.62 4.75 2dnzA8 PHE 252 HB2 0.07 0.04 0.00 -0.04 3.15 3.23 2dnzA8 PHE 252 HB3 -0.15 -0.07 -0.05 -0.04 3.06 2.75 2dnzA8 PHE 252 HD2 -0.22 -0.01 -0.01 -0.04 7.28 7.00 2dnzA8 PHE 252 HE2 -0.28 -0.04 -0.09 -0.04 7.38 6.94 2dnzA8 PHE 252 HZ -0.33 0.01 -0.11 -0.04 7.32 6.85 2dnzA8 GLY 253 H 0.40 0.50 0.01 -0.55 8.43 8.79 2dnzA8 GLY 253 HA2 0.20 0.01 0.39 -0.51 4.01 4.10 2dnzA8 GLY 253 HA3 0.41 -0.07 0.27 -0.51 4.01 4.11 2dnzA8 LYS 254 H 0.21 0.06 0.11 -0.55 8.42 8.24 2dnzA8 LYS 254 HA 0.09 0.11 0.49 -0.75 4.32 4.25 2dnzA8 LYS 254 HB2 0.08 0.04 0.10 -0.04 1.87 2.05 2dnzA8 LYS 254 HB3 0.11 -0.12 0.18 -0.04 1.79 1.92 2dnzA8 LYS 254 HG2 0.04 0.03 -0.44 -0.04 1.46 1.04 2dnzA8 LYS 254 HG3 0.04 0.04 -0.05 -0.04 1.46 1.45 2dnzA8 LYS 254 HD2 0.04 0.01 -0.01 -0.04 1.69 1.69 2dnzA8 LYS 254 HD3 0.05 -0.04 0.00 -0.04 1.68 1.65 2dnzA8 LYS 254 HE2 0.02 -0.02 -0.02 -0.04 2.99 2.93 2dnzA8 LYS 254 HE3 0.02 0.01 -0.12 -0.04 2.99 2.86 2dnzA8 ILE 255 H 0.00 0.21 0.25 -0.55 8.25 8.16 2dnzA8 ILE 255 HA -0.28 0.08 0.55 -0.75 4.18 3.78 2dnzA8 ILE 255 HB -0.08 -0.03 0.10 -0.04 1.89 1.84 2dnzA8 ILE 255 HG12 -0.35 -0.05 -0.12 -0.04 1.49 0.92 2dnzA8 ILE 255 HG13 -0.07 0.30 0.03 -0.04 1.21 1.43 2dnzA8 ILE 255 HG23 -0.18 -0.02 -0.19 -0.04 0.93 0.50 2dnzA8 ILE 255 HD13 0.01 -0.05 -0.10 -0.04 0.88 0.69 2dnzA8 ASP 256 H -0.08 0.70 0.40 -0.55 8.40 8.87 2dnzA8 ASP 256 HA -0.01 0.06 0.46 -0.75 4.63 4.39 2dnzA8 ASP 256 HB2 -0.01 0.08 0.05 -0.04 2.71 2.80 2dnzA8 ASP 256 HB3 -0.00 -0.06 -0.04 -0.04 2.70 2.55 2dnzA8 ASN 257 H -0.07 0.26 0.16 -0.55 8.53 8.34 2dnzA8 ASN 257 HA -0.05 0.13 0.49 -0.75 4.76 4.58 2dnzA8 ASN 257 HB2 -0.02 0.10 -0.33 -0.04 2.88 2.59 2dnzA8 ASN 257 HB3 -0.03 -0.07 -0.10 -0.04 2.79 2.56 2dnzA8 ASN 257 HD21 -0.02 -0.06 -0.25 -0.04 7.03 6.66 2dnzA8 ASN 257 HD22 -0.02 0.03 -0.08 -0.04 7.74 7.63 2dnzA8 ILE 258 H -0.05 0.24 0.14 -0.55 8.25 8.03 2dnzA8 ILE 258 HA -0.08 0.27 1.06 -0.75 4.18 4.67 2dnzA8 ILE 258 HB -0.08 -0.04 0.07 -0.04 1.89 1.80 2dnzA8 ILE 258 HG12 -0.20 0.06 -0.10 -0.04 1.49 1.20 2dnzA8 ILE 258 HG13 -0.12 -0.11 -0.58 -0.04 1.21 0.36 2dnzA8 ILE 258 HG23 -0.14 -0.00 -0.14 -0.04 0.93 0.60 2dnzA8 ILE 258 HD13 -0.12 0.00 -0.12 -0.04 0.88 0.61 2dnzA8 VAL 259 H -0.03 0.68 0.30 -0.55 8.24 8.64 2dnzA8 VAL 259 HA -0.03 0.15 0.99 -0.75 4.13 4.49 2dnzA8 VAL 259 HB 0.06 -0.02 0.08 -0.04 2.12 2.20 2dnzA8 VAL 259 HG13 0.03 0.02 -0.14 -0.04 0.97 0.83 2dnzA8 VAL 259 HG23 -0.01 0.03 -0.16 -0.04 0.95 0.77 2dnzA8 LEU 260 H -0.05 0.20 0.16 -0.55 8.37 8.13 2dnzA8 LEU 260 HA -0.18 0.10 0.93 -0.75 4.35 4.44 2dnzA8 LEU 260 HB2 -0.07 -0.01 0.15 -0.04 1.64 1.67 2dnzA8 LEU 260 HB3 -0.12 0.08 -0.06 -0.04 1.64 1.50 2dnzA8 LEU 260 HG -0.09 -0.06 -0.13 -0.04 1.64 1.32 2dnzA8 LEU 260 HD13 -0.06 -0.02 -0.06 -0.04 0.93 0.76 2dnzA8 LEU 260 HD23 -0.16 0.03 -0.14 -0.04 0.89 0.58 2dnzA8 MET 261 H -0.43 0.30 0.29 -0.55 8.47 8.08 2dnzA8 MET 261 HA -0.11 0.12 0.72 -0.75 4.52 4.50 2dnzA8 MET 261 HB2 -1.67 0.01 0.09 -0.04 2.15 0.55 2dnzA8 MET 261 HB3 -0.11 0.01 -0.03 -0.04 2.03 1.86 2dnzA8 MET 261 HG2 -0.21 -0.04 -0.03 -0.04 2.63 2.31 2dnzA8 MET 261 HG3 0.24 0.02 -0.07 -0.04 2.56 2.72 2dnzA8 MET 261 HE3 0.23 0.01 -0.05 -0.04 2.10 2.24 2dnzA8 LYS 262 H -0.03 0.28 0.20 -0.55 8.42 8.32 2dnzA8 LYS 262 HA 0.05 0.03 0.85 -0.75 4.32 4.50 2dnzA8 LYS 262 HB2 0.00 0.06 0.03 -0.04 1.87 1.92 2dnzA8 LYS 262 HB3 0.04 0.06 -0.12 -0.04 1.79 1.73 2dnzA8 LYS 262 HG2 0.02 0.08 -0.10 -0.04 1.46 1.42 2dnzA8 LYS 262 HG3 0.01 -0.07 -0.13 -0.04 1.46 1.23 2dnzA8 LYS 262 HD2 -0.07 -0.02 -0.31 -0.04 1.69 1.25 2dnzA8 LYS 262 HD3 -0.08 -0.05 -0.75 -0.04 1.68 0.75 2dnzA8 LYS 262 HE2 -0.01 0.03 -0.03 -0.04 2.99 2.93 2dnzA8 LYS 262 HE3 -0.04 -0.07 -0.03 -0.04 2.99 2.82 2dnzA8 ASP 263 H 0.12 0.07 0.01 -0.55 8.40 8.06 2dnzA8 ASP 263 HA 0.09 0.16 0.43 -0.75 4.63 4.56 2dnzA8 ASP 263 HB2 0.12 0.14 0.15 -0.04 2.71 3.07 2dnzA8 ASP 263 HB3 0.07 -0.33 0.07 -0.04 2.70 2.48 2dnzA8 SER 264 H 0.05 0.04 0.22 -0.55 8.46 8.22 2dnzA8 SER 264 HA 0.03 0.31 0.87 -0.75 4.49 4.95 2dnzA8 SER 264 HB2 0.03 0.04 0.05 -0.04 3.95 4.03 2dnzA8 SER 264 HB3 0.03 -0.03 0.09 -0.04 3.93 3.98 2dnzA8 ASP 265 H 0.03 -0.05 0.17 -0.55 8.40 8.01 2dnzA8 ASP 265 HA 0.02 0.19 0.50 -0.75 4.63 4.58 2dnzA8 ASP 265 HB2 0.03 -0.11 0.18 -0.04 2.71 2.76 2dnzA8 ASP 265 HB3 0.02 0.09 -0.01 -0.04 2.70 2.75 2dnzA8 THR 266 H 0.04 -0.14 -0.06 -0.55 8.28 7.57 2dnzA8 THR 266 HA 0.01 0.28 0.71 -0.75 4.39 4.64 2dnzA8 THR 266 HB 0.02 0.07 0.01 -0.04 4.32 4.38 2dnzA8 THR 266 HG23 0.03 0.02 -0.05 -0.04 1.22 1.17 2dnzA8 GLY 267 H 0.05 -0.21 -0.42 -0.55 8.43 7.30 2dnzA8 GLY 267 HA2 0.04 0.30 0.12 -0.51 4.01 3.96 2dnzA8 GLY 267 HA3 0.02 0.16 0.22 -0.51 4.01 3.89 2dnzA8 ARG 268 H 0.08 -0.09 -0.48 -0.55 8.46 7.43 2dnzA8 ARG 268 HA 0.06 0.23 0.87 -0.75 4.34 4.75 2dnzA8 ARG 268 HB2 0.04 -0.11 -0.01 -0.04 1.90 1.78 2dnzA8 ARG 268 HB3 -0.16 0.05 -0.11 -0.04 1.80 1.54 2dnzA8 ARG 268 HG2 -0.07 0.19 -0.25 -0.04 1.67 1.49 2dnzA8 ARG 268 HG3 -0.18 -0.02 -0.06 -0.04 1.67 1.37 2dnzA8 ARG 268 HD2 -0.56 -0.03 -0.04 -0.04 3.22 2.55 2dnzA8 ARG 268 HD3 -0.21 0.00 -0.00 -0.04 3.22 2.97 2dnzA8 SER 269 H 0.18 0.27 0.05 -0.55 8.46 8.42 2dnzA8 SER 269 HA 0.11 -0.00 0.37 -0.75 4.49 4.22 2dnzA8 SER 269 HB2 0.22 0.09 0.16 -0.04 3.95 4.38 2dnzA8 SER 269 HB3 0.03 -0.04 0.02 -0.04 3.93 3.90 2dnzA8 LYS 270 H 0.24 0.05 0.34 -0.55 8.42 8.50 2dnzA8 LYS 270 HA 0.02 0.07 0.41 -0.75 4.32 4.07 2dnzA8 LYS 270 HB2 0.28 -0.06 0.09 -0.04 1.87 2.14 2dnzA8 LYS 270 HB3 -0.01 0.02 0.07 -0.04 1.79 1.83 2dnzA8 LYS 270 HG2 0.18 0.09 0.17 -0.04 1.46 1.86 2dnzA8 LYS 270 HG3 0.32 -0.07 0.13 -0.04 1.46 1.80 2dnzA8 LYS 270 HD2 -0.11 0.02 0.01 -0.04 1.69 1.57 2dnzA8 LYS 270 HD3 0.03 0.03 0.05 -0.04 1.68 1.74 2dnzA8 LYS 270 HE2 0.03 0.02 0.02 -0.04 2.99 3.02 2dnzA8 LYS 270 HE3 0.11 -0.12 0.05 -0.04 2.99 2.99 2dnzA8 GLY 271 H 0.15 -0.05 -0.24 -0.55 8.43 7.75 2dnzA8 GLY 271 HA2 -0.08 0.07 -0.03 -0.51 4.01 3.45 2dnzA8 GLY 271 HA3 -0.13 0.31 0.89 -0.51 4.01 4.57 2dnzA8 TYR 272 H 0.04 0.11 0.17 -0.55 8.29 8.06 2dnzA8 TYR 272 HA -0.29 0.30 0.78 -0.75 4.56 4.60 2dnzA8 TYR 272 HB2 -0.44 0.15 0.21 -0.04 3.06 2.93 2dnzA8 TYR 272 HB3 -0.14 -0.06 -0.07 -0.04 2.98 2.66 2dnzA8 TYR 272 HD2 -0.12 -0.12 -0.04 -0.04 7.15 6.84 2dnzA8 TYR 272 HE2 0.04 -0.06 -0.01 -0.04 6.85 6.77 2dnzA8 GLY 273 H -0.52 0.67 0.41 -0.55 8.43 8.44 2dnzA8 GLY 273 HA2 -0.47 -0.03 0.76 -0.51 4.01 3.76 2dnzA8 GLY 273 HA3 -0.32 0.02 0.36 -0.51 4.01 3.56 2dnzA8 PHE 274 H -0.08 0.70 0.41 -0.55 8.34 8.82 2dnzA8 PHE 274 HA -0.05 0.24 1.16 -0.75 4.62 5.20 2dnzA8 PHE 274 HB2 -0.04 -0.01 0.16 -0.04 3.15 3.22 2dnzA8 PHE 274 HB3 0.00 0.01 0.01 -0.04 3.06 3.05 2dnzA8 PHE 274 HD2 0.06 0.02 -0.02 -0.04 7.28 7.30 2dnzA8 PHE 274 HE2 0.21 -0.01 -0.06 -0.04 7.38 7.48 2dnzA8 PHE 274 HZ 0.23 0.03 -0.05 -0.04 7.32 7.48 2dnzA8 ILE 275 H 0.13 0.59 0.38 -0.55 8.25 8.80 2dnzA8 ILE 275 HA -0.09 0.21 1.05 -0.75 4.18 4.60 2dnzA8 ILE 275 HB -0.12 0.03 0.04 -0.04 1.89 1.79 2dnzA8 ILE 275 HG12 -0.35 -0.00 -0.12 -0.04 1.49 0.98 2dnzA8 ILE 275 HG13 -0.31 -0.12 -0.69 -0.04 1.21 0.05 2dnzA8 ILE 275 HG23 -0.41 -0.00 -0.11 -0.04 0.93 0.37 2dnzA8 ILE 275 HD13 -1.30 0.00 -0.18 -0.04 0.88 -0.64 2dnzA8 THR 276 H -0.09 0.54 0.31 -0.55 8.28 8.49 2dnzA8 THR 276 HA 0.10 0.07 1.04 -0.75 4.39 4.85 2dnzA8 THR 276 HB -0.01 -0.06 0.19 -0.04 4.32 4.39 2dnzA8 THR 276 HG23 0.05 0.07 -0.07 -0.04 1.22 1.23 2dnzA8 PHE 277 H 0.30 0.19 -0.00 -0.55 8.34 8.27 2dnzA8 PHE 277 HA 0.08 0.28 0.69 -0.75 4.62 4.91 2dnzA8 PHE 277 HB2 0.09 0.16 0.08 -0.04 3.15 3.43 2dnzA8 PHE 277 HB3 0.07 -0.21 0.13 -0.04 3.06 3.00 2dnzA8 PHE 277 HD2 0.12 -0.04 -0.19 -0.04 7.28 7.14 2dnzA8 PHE 277 HE2 0.29 0.10 -0.10 -0.04 7.38 7.63 2dnzA8 PHE 277 HZ 0.25 -0.00 -0.07 -0.04 7.32 7.46 2dnzA8 SER 278 H 0.30 0.18 0.16 -0.55 8.46 8.55 2dnzA8 SER 278 HA 0.10 0.20 0.88 -0.75 4.49 4.92 2dnzA8 SER 278 HB2 0.08 0.12 -0.03 -0.04 3.95 4.07 2dnzA8 SER 278 HB3 0.09 -0.05 0.15 -0.04 3.93 4.08 2dnzA8 ASP 279 H 0.17 0.16 -0.11 -0.55 8.40 8.06 2dnzA8 ASP 279 HA 0.05 0.13 0.58 -0.75 4.63 4.64 2dnzA8 ASP 279 HB2 0.06 0.18 -0.22 -0.04 2.71 2.69 2dnzA8 ASP 279 HB3 0.03 -0.13 0.11 -0.04 2.70 2.67 2dnzA8 SER 280 H 0.03 0.22 0.16 -0.55 8.46 8.33 2dnzA8 SER 280 HA 0.03 0.33 0.57 -0.75 4.49 4.66 2dnzA8 SER 280 HB2 -0.00 0.13 0.13 -0.04 3.95 4.17 2dnzA8 SER 280 HB3 0.01 0.06 0.16 -0.04 3.93 4.12 2dnzA8 GLU 281 H -0.00 0.06 -0.08 -0.55 8.60 8.03 2dnzA8 GLU 281 HA -0.03 0.13 0.45 -0.75 4.29 4.09 2dnzA8 GLU 281 HB2 -0.02 0.07 0.03 -0.04 2.09 2.12 2dnzA8 GLU 281 HB3 -0.01 0.04 0.11 -0.04 1.99 2.09 2dnzA8 GLU 281 HG2 -0.00 -0.06 0.09 -0.04 2.34 2.32 2dnzA8 GLU 281 HG3 -0.01 -0.06 0.01 -0.04 2.34 2.24 2dnzA8 CYS 282 H -0.04 0.01 -0.28 -0.55 8.50 7.63 2dnzA8 CYS 282 HA -0.13 0.14 0.45 -0.75 4.58 4.29 2dnzA8 CYS 282 HB2 -0.06 -0.00 0.18 -0.04 2.97 3.04 2dnzA8 CYS 282 HB3 -0.25 0.06 -0.00 -0.04 2.97 2.74 2dnzA8 ALA 283 H -0.16 0.43 -0.14 -0.55 8.40 7.99 2dnzA8 ALA 283 HA -0.59 0.01 0.35 -0.75 4.34 3.35 2dnzA8 ALA 283 HB3 0.08 0.06 0.08 -0.04 1.41 1.59 2dnzA8 ARG 284 H -0.05 0.45 -0.17 -0.55 8.46 8.13 2dnzA8 ARG 284 HA 0.04 0.03 0.40 -0.75 4.34 4.05 2dnzA8 ARG 284 HB2 -0.03 0.09 0.21 -0.04 1.90 2.14 2dnzA8 ARG 284 HB3 -0.01 -0.03 -0.00 -0.04 1.80 1.72 2dnzA8 ARG 284 HG2 0.15 -0.04 0.04 -0.04 1.67 1.78 2dnzA8 ARG 284 HG3 0.05 0.14 0.09 -0.04 1.67 1.91 2dnzA8 ARG 284 HD2 0.01 -0.02 0.01 -0.04 3.22 3.18 2dnzA8 ARG 284 HD3 0.01 -0.01 0.01 -0.04 3.22 3.19 2dnzA8 ARG 285 H -0.14 0.53 -0.08 -0.55 8.46 8.22 2dnzA8 ARG 285 HA -0.14 0.01 0.42 -0.75 4.34 3.88 2dnzA8 ARG 285 HB2 -0.14 0.11 0.22 -0.04 1.90 2.05 2dnzA8 ARG 285 HB3 -0.13 0.01 0.00 -0.04 1.80 1.64 2dnzA8 ARG 285 HG2 -0.07 -0.03 0.07 -0.04 1.67 1.60 2dnzA8 ARG 285 HG3 -0.05 -0.02 0.03 -0.04 1.67 1.59 2dnzA8 ARG 285 HD2 -0.05 0.03 0.02 -0.04 3.22 3.17 2dnzA8 ARG 285 HD3 -0.06 -0.02 0.04 -0.04 3.22 3.13 2dnzA8 ALA 286 H -0.40 0.68 -0.10 -0.55 8.40 8.04 2dnzA8 ALA 286 HA -1.15 0.02 0.33 -0.75 4.34 2.79 2dnzA8 ALA 286 HB3 -0.61 0.01 0.01 -0.04 1.41 0.79 2dnzA8 LEU 287 H -0.30 0.43 -0.50 -0.55 8.37 7.44 2dnzA8 LEU 287 HA -0.20 -0.04 0.36 -0.75 4.35 3.71 2dnzA8 LEU 287 HB2 -0.35 -0.01 0.03 -0.04 1.64 1.27 2dnzA8 LEU 287 HB3 -0.21 0.23 0.17 -0.04 1.64 1.80 2dnzA8 LEU 287 HG -0.13 0.04 -0.28 -0.04 1.64 1.23 2dnzA8 LEU 287 HD13 -0.16 -0.03 -0.21 -0.04 0.93 0.49 2dnzA8 LEU 287 HD23 -0.25 -0.01 -0.02 -0.04 0.89 0.56 2dnzA8 GLU 288 H -0.20 0.46 -0.09 -0.55 8.60 8.23 2dnzA8 GLU 288 HA -0.09 0.04 0.47 -0.75 4.29 3.96 2dnzA8 GLU 288 HB2 -0.12 0.05 0.13 -0.04 2.09 2.12 2dnzA8 GLU 288 HB3 -0.07 -0.04 0.05 -0.04 1.99 1.89 2dnzA8 GLU 288 HG2 -0.07 -0.07 0.04 -0.04 2.34 2.20 2dnzA8 GLU 288 HG3 -0.09 0.22 0.08 -0.04 2.34 2.50 2dnzA8 GLN 289 H -0.31 0.62 -0.06 -0.55 8.47 8.18 2dnzA8 GLN 289 HA -0.12 0.04 0.38 -0.75 4.36 3.91 2dnzA8 GLN 289 HB2 -0.83 0.02 0.06 -0.04 2.15 1.36 2dnzA8 GLN 289 HB3 -0.29 -0.03 -0.08 -0.04 2.02 1.59 2dnzA8 GLN 289 HG2 -0.16 0.01 -0.01 -0.04 2.40 2.21 2dnzA8 GLN 289 HG3 0.02 -0.04 -0.06 -0.04 2.39 2.28 2dnzA8 GLN 289 HE21 -0.05 -0.02 -0.09 -0.04 6.97 6.77 2dnzA8 GLN 289 HE22 -0.01 -0.03 -0.04 -0.04 7.69 7.57 2dnzA8 LEU 290 H -0.41 0.57 -0.21 -0.55 8.37 7.77 2dnzA8 LEU 290 HA -0.13 0.00 0.41 -0.75 4.35 3.87 2dnzA8 LEU 290 HB2 -0.22 0.07 0.12 -0.04 1.64 1.57 2dnzA8 LEU 290 HB3 -0.05 -0.15 -0.07 -0.04 1.64 1.33 2dnzA8 LEU 290 HG -0.83 0.09 0.05 -0.04 1.64 0.91 2dnzA8 LEU 290 HD13 -1.03 -0.05 -0.18 -0.04 0.93 -0.37 2dnzA8 LEU 290 HD23 -0.28 -0.02 -0.11 -0.04 0.89 0.44 2dnzA8 ASN 291 H -0.11 0.57 -0.14 -0.55 8.53 8.31 2dnzA8 ASN 291 HA 0.01 -0.19 0.39 -0.75 4.76 4.22 2dnzA8 ASN 291 HB2 -0.04 -0.00 0.20 -0.04 2.88 3.00 2dnzA8 ASN 291 HB3 -0.05 0.10 0.27 -0.04 2.79 3.07 2dnzA8 ASN 291 HD21 -0.02 0.11 0.07 -0.04 7.03 7.15 2dnzA8 ASN 291 HD22 -0.00 -0.09 -0.04 -0.04 7.74 7.57 2dnzA8 GLY 292 H 0.05 0.17 0.28 -0.55 8.43 8.39 2dnzA8 GLY 292 HA2 0.04 -0.06 0.33 -0.51 4.01 3.81 2dnzA8 GLY 292 HA3 0.04 0.09 0.65 -0.51 4.01 4.28 2dnzA8 PHE 293 H 0.17 0.26 0.14 -0.55 8.34 8.35 2dnzA8 PHE 293 HA 0.01 0.17 0.78 -0.75 4.62 4.82 2dnzA8 PHE 293 HB2 0.00 0.32 0.11 -0.04 3.15 3.54 2dnzA8 PHE 293 HB3 0.02 -0.10 0.24 -0.04 3.06 3.18 2dnzA8 PHE 293 HD2 0.05 -0.02 -0.02 -0.04 7.28 7.25 2dnzA8 PHE 293 HE2 0.06 -0.06 -0.05 -0.04 7.38 7.28 2dnzA8 PHE 293 HZ 0.04 -0.05 -0.05 -0.04 7.32 7.23 2dnzA8 GLU 294 H -0.10 0.31 -0.01 -0.55 8.60 8.26 2dnzA8 GLU 294 HA -0.15 0.03 -0.21 -0.75 4.29 3.21 2dnzA8 GLU 294 HB2 -0.18 0.02 0.09 -0.04 2.09 1.98 2dnzA8 GLU 294 HB3 -0.13 -0.06 -0.19 -0.04 1.99 1.57 2dnzA8 GLU 294 HG2 -0.06 0.08 -0.16 -0.04 2.34 2.17 2dnzA8 GLU 294 HG3 -0.05 0.04 -0.03 -0.04 2.34 2.26 2dnzA8 LEU 295 H -0.18 0.25 0.33 -0.55 8.37 8.22 2dnzA8 LEU 295 HA -0.39 0.15 0.63 -0.75 4.35 3.99 2dnzA8 LEU 295 HB2 -0.02 0.15 0.21 -0.04 1.64 1.93 2dnzA8 LEU 295 HB3 -0.03 -0.14 0.27 -0.04 1.64 1.70 2dnzA8 LEU 295 HG 0.05 0.03 0.02 -0.04 1.64 1.70 2dnzA8 LEU 295 HD13 0.13 -0.01 -0.00 -0.04 0.93 1.01 2dnzA8 LEU 295 HD23 0.03 -0.01 -0.18 -0.04 0.89 0.69 2dnzA8 ALA 296 H -0.05 0.19 0.11 -0.55 8.40 8.11 2dnzA8 ALA 296 HA -0.01 0.26 0.84 -0.75 4.34 4.67 2dnzA8 ALA 296 HB3 0.06 -0.00 0.13 -0.04 1.41 1.56 2dnzA8 GLY 297 H -0.08 0.24 -0.67 -0.55 8.43 7.37 2dnzA8 GLY 297 HA2 -0.04 0.05 0.26 -0.51 4.01 3.77 2dnzA8 GLY 297 HA3 -0.02 0.20 0.81 -0.51 4.01 4.49 2dnzA8 ARG 298 H -0.04 0.09 -0.41 -0.55 8.46 7.56 2dnzA8 ARG 298 HA -0.03 0.26 0.87 -0.75 4.34 4.69 2dnzA8 ARG 298 HB2 -0.02 0.09 0.02 -0.04 1.90 1.95 2dnzA8 ARG 298 HB3 -0.02 -0.01 -0.06 -0.04 1.80 1.66 2dnzA8 ARG 298 HG2 -0.02 -0.08 -0.06 -0.04 1.67 1.46 2dnzA8 ARG 298 HG3 -0.02 0.05 -0.35 -0.04 1.67 1.30 2dnzA8 ARG 298 HD2 -0.02 0.05 -0.07 -0.04 3.22 3.13 2dnzA8 ARG 298 HD3 -0.02 -0.02 -0.05 -0.04 3.22 3.09 2dnzA8 PRO 299 HA -0.02 -0.03 0.08 -0.51 4.44 3.96 2dnzA8 PRO 299 HB2 0.01 0.09 0.05 -0.04 2.28 2.39 2dnzA8 PRO 299 HB3 0.00 0.10 0.02 -0.04 2.02 2.10 2dnzA8 PRO 299 HG2 -0.00 0.02 0.14 -0.04 2.03 2.15 2dnzA8 PRO 299 HG3 -0.00 0.06 0.10 -0.04 2.03 2.14 2dnzA8 PRO 299 HD2 -0.01 0.07 0.20 -0.04 3.68 3.89 2dnzA8 PRO 299 HD3 -0.02 0.18 0.19 -0.04 3.65 3.96 2dnzA8 MET 300 H 0.02 0.14 0.11 -0.55 8.47 8.19 2dnzA8 MET 300 HA 0.02 0.15 0.50 -0.75 4.52 4.44 2dnzA8 MET 300 HB2 0.06 0.11 0.13 -0.04 2.15 2.41 2dnzA8 MET 300 HB3 0.05 -0.03 0.16 -0.04 2.03 2.17 2dnzA8 MET 300 HG2 0.12 -0.14 0.15 -0.04 2.63 2.71 2dnzA8 MET 300 HG3 0.12 -0.02 -0.21 -0.04 2.56 2.41 2dnzA8 MET 300 HE3 0.26 -0.02 -0.07 -0.04 2.10 2.23 2dnzA8 ARG 301 H 0.05 0.60 0.28 -0.55 8.46 8.84 2dnzA8 ARG 301 HA 0.05 0.15 0.91 -0.75 4.34 4.70 2dnzA8 ARG 301 HB2 0.08 -0.03 0.01 -0.04 1.90 1.92 2dnzA8 ARG 301 HB3 0.12 -0.03 -0.08 -0.04 1.80 1.76 2dnzA8 ARG 301 HG2 0.03 0.11 -0.15 -0.04 1.67 1.61 2dnzA8 ARG 301 HG3 0.03 -0.05 -0.06 -0.04 1.67 1.55 2dnzA8 ARG 301 HD2 0.04 -0.04 -0.06 -0.04 3.22 3.11 2dnzA8 ARG 301 HD3 0.03 0.06 0.01 -0.04 3.22 3.27 2dnzA8 VAL 302 H 0.06 0.24 0.16 -0.55 8.24 8.15 2dnzA8 VAL 302 HA 0.15 0.31 1.10 -0.75 4.13 4.93 2dnzA8 VAL 302 HB 0.00 0.05 0.09 -0.04 2.12 2.22 2dnzA8 VAL 302 HG13 0.05 0.00 -0.03 -0.04 0.97 0.94 2dnzA8 VAL 302 HG23 0.08 -0.02 -0.60 -0.04 0.95 0.36 2dnzA8 GLY 303 H 0.22 0.56 0.29 -0.55 8.43 8.95 2dnzA8 GLY 303 HA2 -0.01 0.17 0.74 -0.51 4.01 4.41 2dnzA8 GLY 303 HA3 0.04 0.03 0.24 -0.51 4.01 3.81 2dnzA8 HIS 304 H 0.08 0.16 0.12 -0.55 8.41 8.23 2dnzA8 HIS 304 HA 0.11 0.09 0.60 -0.75 4.63 4.67 2dnzA8 HIS 304 HB2 0.03 -0.02 0.15 -0.04 3.26 3.38 2dnzA8 HIS 304 HB3 0.05 0.07 -0.05 -0.04 3.20 3.23 2dnzA8 HIS 304 HD2 0.01 0.00 0.01 -0.04 6.97 6.95 2dnzA8 HIS 304 HE1 -0.00 0.01 -0.32 -0.04 7.75 7.39 2dnzA8 VAL 305 H 0.27 0.26 0.15 -0.55 8.24 8.37 2dnzA8 VAL 305 HA 0.23 -0.00 0.30 -0.75 4.13 3.90 2dnzA8 VAL 305 HB 0.18 -0.04 0.03 -0.04 2.12 2.25 2dnzA8 VAL 305 HG13 0.13 0.01 -0.22 -0.04 0.97 0.85 2dnzA8 VAL 305 HG23 0.40 -0.02 -0.35 -0.04 0.95 0.94 2dnzA8 THR 306 H 0.08 0.14 0.20 -0.55 8.28 8.15 2dnzA8 THR 306 HA 0.04 0.17 0.93 -0.75 4.39 4.77 2dnzA8 THR 306 HB 0.04 0.14 -0.06 -0.04 4.32 4.39 2dnzA8 THR 306 HG23 -0.00 0.00 -0.09 -0.04 1.22 1.08 2dnzA8 GLU 307 H 0.01 0.13 0.14 -0.55 8.60 8.35 2dnzA8 GLU 307 HA 0.01 0.20 0.87 -0.75 4.29 4.61 2dnzA8 GLU 307 HB2 -0.00 0.01 0.02 -0.04 2.09 2.07 2dnzA8 GLU 307 HB3 -0.00 -0.00 -0.02 -0.04 1.99 1.93 2dnzA8 GLU 307 HG2 0.00 -0.06 0.19 -0.04 2.34 2.43 2dnzA8 GLU 307 HG3 0.00 0.05 -0.04 -0.04 2.34 2.31 2dnzA8 ARG 308 H 0.01 0.11 0.15 -0.55 8.46 8.17 2dnzA8 ARG 308 HA 0.00 0.12 0.65 -0.75 4.34 4.36 2dnzA8 ARG 308 HB2 0.00 -0.01 -0.28 -0.04 1.90 1.58 2dnzA8 ARG 308 HB3 0.00 0.01 -0.08 -0.04 1.80 1.69 2dnzA8 ARG 308 HG2 0.00 -0.02 0.06 -0.04 1.67 1.67 2dnzA8 ARG 308 HG3 0.00 0.03 0.05 -0.04 1.67 1.71 2dnzA8 ARG 308 HD2 -0.00 -0.03 -0.04 -0.04 3.22 3.11 2dnzA8 ARG 308 HD3 -0.00 0.01 -0.11 -0.04 3.22 3.08 2dnzA8 LEU 309 H -0.00 0.14 0.09 -0.55 8.37 8.05 2dnzA8 LEU 309 HA -0.00 0.08 0.53 -0.75 4.35 4.20 2dnzA8 LEU 309 HB2 -0.00 -0.02 0.16 -0.04 1.64 1.73 2dnzA8 LEU 309 HB3 -0.00 0.04 -0.03 -0.04 1.64 1.61 2dnzA8 LEU 309 HG -0.00 0.03 -0.03 -0.04 1.64 1.59 2dnzA8 LEU 309 HD13 -0.01 -0.01 -0.01 -0.04 0.93 0.86 2dnzA8 LEU 309 HD23 -0.01 0.01 -0.02 -0.04 0.89 0.83 2dnzA8 ASP 310 H -0.00 0.25 0.27 -0.55 8.40 8.37 2dnzA8 ASP 310 HA -0.00 0.08 0.90 -0.75 4.63 4.85 2dnzA8 ASP 310 HB2 -0.00 0.04 0.01 -0.04 2.71 2.72 2dnzA8 ASP 310 HB3 -0.00 -0.02 -0.08 -0.04 2.70 2.56 2dnzA8 GLY 311 H -0.00 0.06 0.10 -0.55 8.43 8.05 2dnzA8 GLY 311 HA2 -0.00 0.06 0.33 -0.51 4.01 3.89 2dnzA8 GLY 311 HA3 -0.00 0.00 0.36 -0.51 4.01 3.86 2dnzA8 GLY 312 H -0.00 0.19 0.17 -0.55 8.43 8.24 2dnzA8 GLY 312 HA2 -0.00 0.12 0.69 -0.51 4.01 4.30 2dnzA8 GLY 312 HA3 -0.00 0.08 0.30 -0.51 4.01 3.87 2dnzA8 SER 313 H -0.00 0.10 0.13 -0.55 8.46 8.14 2dnzA8 SER 313 HA -0.00 -0.00 0.37 -0.75 4.49 4.10 2dnzA8 SER 313 HB2 -0.00 0.08 0.04 -0.04 3.95 4.03 2dnzA8 SER 313 HB3 -0.00 -0.02 0.13 -0.04 3.93 4.00 2dnzA8 GLY 314 H -0.00 0.11 0.20 -0.55 8.43 8.19 2dnzA8 GLY 314 HA2 -0.00 0.23 0.94 -0.51 4.01 4.67 2dnzA8 GLY 314 HA3 -0.00 0.01 0.38 -0.51 4.01 3.89 2dnzA8 PRO 315 HA -0.00 0.10 0.42 -0.51 4.44 4.44 2dnzA8 PRO 315 HB2 -0.00 0.01 0.00 -0.04 2.28 2.25 2dnzA8 PRO 315 HB3 -0.00 0.04 0.11 -0.04 2.02 2.12 2dnzA8 PRO 315 HG2 -0.00 0.01 0.07 -0.04 2.03 2.06 2dnzA8 PRO 315 HG3 -0.00 0.05 0.08 -0.04 2.03 2.12 2dnzA8 PRO 315 HD2 -0.00 0.11 0.25 -0.04 3.68 3.99 2dnzA8 PRO 315 HD3 -0.00 0.17 0.20 -0.04 3.65 3.98 2dnzA8 SER 316 H -0.00 0.12 -0.21 -0.55 8.46 7.82 2dnzA8 SER 316 HA -0.00 0.18 0.92 -0.75 4.49 4.83 2dnzA8 SER 316 HB2 -0.00 0.02 -0.08 -0.04 3.95 3.85 2dnzA8 SER 316 HB3 -0.00 0.02 -0.06 -0.04 3.93 3.85 2dnzA8 SER 317 H -0.00 0.13 0.10 -0.55 8.46 8.14 2dnzA8 SER 317 HA -0.00 0.11 0.43 -0.75 4.49 4.28 2dnzA8 SER 317 HB2 -0.00 -0.04 0.17 -0.04 3.95 4.03 2dnzA8 SER 317 HB3 -0.00 0.03 -0.02 -0.04 3.93 3.90 2dnzA8 GLY 318 H -0.00 0.07 -0.06 -0.55 8.43 7.90 2dnzA8 GLY 318 HA2 -0.00 0.03 0.11 -0.51 4.01 3.64 2dnzA8 GLY 318 HA3 -0.00 0.27 0.54 -0.51 4.01 4.31