============================================================================= 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 1.560 -2.369 -6.509 -99.200 -91.000 HIS 14 0.900 -15.070 -5.870 -5.877 -99.200 -91.000 PHE 15 1.000 -15.512 -0.387 -10.443 -99.200 -91.000 PHE 26 1.000 -2.769 1.205 2.572 -99.200 -91.000 PHE 29 1.000 -2.715 -0.797 9.049 -99.200 -91.000 TYR 49 0.840 -2.821 -0.805 -11.004 -99.200 -91.000 PHE 51 1.000 2.342 3.130 -7.679 -99.200 -91.000 PHE 54 1.000 1.609 4.540 4.894 -99.200 -91.000 PHE 70 1.000 -6.972 -6.403 6.440 -99.200 -91.000 HIS 81 0.900 8.777 -1.579 2.172 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2dnzA9 GLY 224 HA2 -0.01 -0.13 0.19 -0.51 4.01 3.55 2dnzA9 GLY 224 HA3 -0.01 -0.08 0.25 -0.51 4.01 3.65 2dnzA9 SER 225 H -0.02 0.09 0.11 -0.55 8.46 8.09 2dnzA9 SER 225 HA -0.03 -0.00 0.37 -0.75 4.49 4.08 2dnzA9 SER 225 HB2 -0.01 0.11 -0.17 -0.04 3.95 3.84 2dnzA9 SER 225 HB3 -0.01 -0.01 0.22 -0.04 3.93 4.08 2dnzA9 SER 226 H -0.03 -0.06 -0.26 -0.55 8.46 7.56 2dnzA9 SER 226 HA -0.02 0.25 0.79 -0.75 4.49 4.76 2dnzA9 SER 226 HB2 -0.01 -0.10 0.08 -0.04 3.95 3.87 2dnzA9 SER 226 HB3 -0.01 0.13 -0.05 -0.04 3.93 3.96 2dnzA9 GLY 227 H -0.02 0.18 0.01 -0.55 8.43 8.06 2dnzA9 GLY 227 HA2 -0.05 0.19 0.80 -0.51 4.01 4.44 2dnzA9 GLY 227 HA3 -0.02 0.03 0.32 -0.51 4.01 3.83 2dnzA9 SER 228 H -0.05 0.24 -0.06 -0.55 8.46 8.05 2dnzA9 SER 228 HA 0.04 0.12 0.98 -0.75 4.49 4.87 2dnzA9 SER 228 HB2 0.05 0.03 0.02 -0.04 3.95 4.01 2dnzA9 SER 228 HB3 0.08 0.05 -0.01 -0.04 3.93 4.00 2dnzA9 SER 229 H 0.08 0.15 0.13 -0.55 8.46 8.27 2dnzA9 SER 229 HA 0.13 0.11 0.49 -0.75 4.49 4.47 2dnzA9 SER 229 HB2 0.17 -0.08 -0.15 -0.04 3.95 3.85 2dnzA9 SER 229 HB3 0.09 -0.01 -0.06 -0.04 3.93 3.91 2dnzA9 GLY 230 H 0.13 -0.01 0.07 -0.55 8.43 8.07 2dnzA9 GLY 230 HA2 0.21 0.01 0.59 -0.51 4.01 4.30 2dnzA9 GLY 230 HA3 0.15 0.03 0.37 -0.51 4.01 4.04 2dnzA9 LEU 231 H 0.27 0.61 0.43 -0.55 8.37 9.13 2dnzA9 LEU 231 HA 0.21 0.09 1.11 -0.75 4.35 5.01 2dnzA9 LEU 231 HB2 0.47 -0.07 0.06 -0.04 1.64 2.06 2dnzA9 LEU 231 HB3 0.27 0.03 -0.03 -0.04 1.64 1.88 2dnzA9 LEU 231 HG 0.17 0.25 -0.21 -0.04 1.64 1.81 2dnzA9 LEU 231 HD13 -0.03 0.03 -0.04 -0.04 0.93 0.86 2dnzA9 LEU 231 HD23 -0.20 -0.01 -0.11 -0.04 0.89 0.53 2dnzA9 TYR 232 H 0.27 0.72 0.41 -0.55 8.29 9.14 2dnzA9 TYR 232 HA 0.04 0.19 1.14 -0.75 4.56 5.16 2dnzA9 TYR 232 HB2 0.21 -0.03 0.02 -0.04 3.06 3.22 2dnzA9 TYR 232 HB3 0.10 0.03 0.07 -0.04 2.98 3.14 2dnzA9 TYR 232 HD2 -0.19 -0.06 -0.27 -0.04 7.15 6.60 2dnzA9 TYR 232 HE2 -0.05 -0.04 -0.19 -0.04 6.85 6.54 2dnzA9 VAL 233 H -0.66 0.52 0.38 -0.55 8.24 7.93 2dnzA9 VAL 233 HA -0.00 0.35 1.15 -0.75 4.13 4.88 2dnzA9 VAL 233 HB 0.06 0.01 -0.10 -0.04 2.12 2.05 2dnzA9 VAL 233 HG13 -0.28 0.01 -0.02 -0.04 0.97 0.63 2dnzA9 VAL 233 HG23 0.07 0.01 -0.12 -0.04 0.95 0.87 2dnzA9 GLY 234 H 0.04 0.69 0.41 -0.55 8.43 9.02 2dnzA9 GLY 234 HA2 -0.01 0.15 1.00 -0.51 4.01 4.64 2dnzA9 GLY 234 HA3 0.15 -0.01 0.34 -0.51 4.01 3.98 2dnzA9 SER 235 H 0.07 0.13 0.18 -0.55 8.46 8.29 2dnzA9 SER 235 HA 0.05 0.04 0.39 -0.75 4.49 4.21 2dnzA9 SER 235 HB2 0.06 -0.09 -0.20 -0.04 3.95 3.68 2dnzA9 SER 235 HB3 0.06 0.03 0.49 -0.04 3.93 4.47 2dnzA9 LEU 236 H 0.05 0.43 0.26 -0.55 8.37 8.57 2dnzA9 LEU 236 HA 0.07 0.16 0.88 -0.75 4.35 4.70 2dnzA9 LEU 236 HB2 0.01 -0.12 -0.24 -0.04 1.64 1.25 2dnzA9 LEU 236 HB3 0.04 -0.02 -0.08 -0.04 1.64 1.55 2dnzA9 LEU 236 HG 0.03 0.05 -0.47 -0.04 1.64 1.20 2dnzA9 LEU 236 HD13 -0.03 -0.02 -0.28 -0.04 0.93 0.56 2dnzA9 LEU 236 HD23 0.09 0.01 -0.11 -0.04 0.89 0.84 2dnzA9 HIS 237 H 0.15 0.10 0.12 -0.55 8.41 8.23 2dnzA9 HIS 237 HA 0.07 0.15 0.53 -0.75 4.63 4.62 2dnzA9 HIS 237 HB2 0.03 0.07 0.15 -0.04 3.26 3.47 2dnzA9 HIS 237 HB3 0.04 -0.13 0.07 -0.04 3.20 3.13 2dnzA9 HIS 237 HD2 0.03 0.09 0.05 -0.04 6.97 7.10 2dnzA9 HIS 237 HE1 0.10 0.04 0.03 -0.04 7.75 7.88 2dnzA9 PHE 238 H -0.15 0.18 0.15 -0.55 8.34 7.96 2dnzA9 PHE 238 HA -0.02 0.10 0.26 -0.75 4.62 4.21 2dnzA9 PHE 238 HB2 -0.07 0.15 0.11 -0.04 3.15 3.30 2dnzA9 PHE 238 HB3 -0.10 -0.09 0.14 -0.04 3.06 2.97 2dnzA9 PHE 238 HD2 0.03 -0.03 -0.07 -0.04 7.28 7.17 2dnzA9 PHE 238 HE2 0.01 -0.02 -0.02 -0.04 7.38 7.32 2dnzA9 PHE 238 HZ 0.01 0.00 -0.02 -0.04 7.32 7.27 2dnzA9 ASN 239 H 0.66 -0.00 -0.27 -0.55 8.53 8.37 2dnzA9 ASN 239 HA -0.06 0.04 0.30 -0.75 4.76 4.28 2dnzA9 ASN 239 HB2 0.23 0.01 0.06 -0.04 2.88 3.13 2dnzA9 ASN 239 HB3 0.11 -0.07 0.00 -0.04 2.79 2.80 2dnzA9 ASN 239 HD21 -0.05 0.00 -0.04 -0.04 7.03 6.90 2dnzA9 ASN 239 HD22 -0.01 0.00 -0.06 -0.04 7.74 7.63 2dnzA9 ILE 240 H 0.08 0.06 -0.36 -0.55 8.25 7.48 2dnzA9 ILE 240 HA -0.02 -0.13 0.30 -0.75 4.18 3.59 2dnzA9 ILE 240 HB -0.02 0.19 -0.05 -0.04 1.89 1.97 2dnzA9 ILE 240 HG12 0.11 -0.04 0.11 -0.04 1.49 1.63 2dnzA9 ILE 240 HG13 0.06 -0.10 0.04 -0.04 1.21 1.17 2dnzA9 ILE 240 HG23 -0.02 -0.05 -0.16 -0.04 0.93 0.66 2dnzA9 ILE 240 HD13 0.03 -0.00 -0.01 -0.04 0.88 0.86 2dnzA9 THR 241 H -0.05 -0.01 0.20 -0.55 8.28 7.87 2dnzA9 THR 241 HA -0.12 0.34 0.95 -0.75 4.39 4.81 2dnzA9 THR 241 HB -0.07 -0.14 0.22 -0.04 4.32 4.29 2dnzA9 THR 241 HG23 -0.10 0.09 -0.01 -0.04 1.22 1.17 2dnzA9 GLU 242 H -0.08 0.26 0.17 -0.55 8.60 8.41 2dnzA9 GLU 242 HA -0.10 0.11 0.38 -0.75 4.29 3.93 2dnzA9 GLU 242 HB2 -0.06 0.01 0.15 -0.04 2.09 2.15 2dnzA9 GLU 242 HB3 -0.07 0.06 -0.01 -0.04 1.99 1.94 2dnzA9 GLU 242 HG2 -0.09 0.04 -0.06 -0.04 2.34 2.19 2dnzA9 GLU 242 HG3 -0.10 -0.02 0.02 -0.04 2.34 2.20 2dnzA9 ASP 243 H -0.05 0.11 -0.15 -0.55 8.40 7.77 2dnzA9 ASP 243 HA -0.02 0.12 0.40 -0.75 4.63 4.37 2dnzA9 ASP 243 HB2 -0.02 -0.02 0.03 -0.04 2.71 2.66 2dnzA9 ASP 243 HB3 -0.01 0.08 0.00 -0.04 2.70 2.73 2dnzA9 MET 244 H -0.02 0.10 -0.42 -0.55 8.47 7.58 2dnzA9 MET 244 HA 0.03 0.13 0.45 -0.75 4.52 4.38 2dnzA9 MET 244 HB2 -0.00 0.10 0.14 -0.04 2.15 2.34 2dnzA9 MET 244 HB3 0.04 0.07 -0.02 -0.04 2.03 2.08 2dnzA9 MET 244 HG2 0.01 0.07 -0.01 -0.04 2.63 2.66 2dnzA9 MET 244 HG3 -0.01 -0.08 0.02 -0.04 2.56 2.45 2dnzA9 MET 244 HE3 -0.01 0.03 -0.08 -0.04 2.10 1.99 2dnzA9 LEU 245 H -0.03 0.31 -0.19 -0.55 8.37 7.92 2dnzA9 LEU 245 HA 0.07 0.10 0.40 -0.75 4.35 4.17 2dnzA9 LEU 245 HB2 -0.14 0.04 0.09 -0.04 1.64 1.59 2dnzA9 LEU 245 HB3 -0.37 0.01 -0.11 -0.04 1.64 1.13 2dnzA9 LEU 245 HG -0.08 0.03 -0.12 -0.04 1.64 1.42 2dnzA9 LEU 245 HD13 -0.20 -0.01 -0.21 -0.04 0.93 0.47 2dnzA9 LEU 245 HD23 -0.18 0.00 -0.12 -0.04 0.89 0.56 2dnzA9 ARG 246 H -0.04 0.56 -0.11 -0.55 8.46 8.32 2dnzA9 ARG 246 HA -0.02 0.06 0.35 -0.75 4.34 3.97 2dnzA9 ARG 246 HB2 -0.03 0.00 0.02 -0.04 1.90 1.84 2dnzA9 ARG 246 HB3 -0.05 0.08 0.09 -0.04 1.80 1.88 2dnzA9 ARG 246 HG2 -0.01 0.14 0.12 -0.04 1.67 1.89 2dnzA9 ARG 246 HG3 -0.00 0.01 -0.29 -0.04 1.67 1.35 2dnzA9 ARG 246 HD2 -0.02 0.01 -0.05 -0.04 3.22 3.12 2dnzA9 ARG 246 HD3 -0.03 -0.07 -0.08 -0.04 3.22 3.00 2dnzA9 GLY 247 H 0.04 0.38 -0.30 -0.55 8.43 8.01 2dnzA9 GLY 247 HA2 0.02 0.04 0.43 -0.51 4.01 4.00 2dnzA9 GLY 247 HA3 0.03 0.08 0.30 -0.51 4.01 3.90 2dnzA9 ILE 248 H 0.16 0.33 -0.34 -0.55 8.25 7.86 2dnzA9 ILE 248 HA 0.04 0.09 0.51 -0.75 4.18 4.07 2dnzA9 ILE 248 HB 0.46 0.02 0.13 -0.04 1.89 2.45 2dnzA9 ILE 248 HG12 0.18 -0.02 -0.00 -0.04 1.49 1.61 2dnzA9 ILE 248 HG13 0.15 0.06 0.08 -0.04 1.21 1.46 2dnzA9 ILE 248 HG23 0.19 -0.01 -0.11 -0.04 0.93 0.96 2dnzA9 ILE 248 HD13 0.24 -0.05 -0.06 -0.04 0.88 0.96 2dnzA9 PHE 249 H 0.54 0.56 -0.11 -0.55 8.34 8.77 2dnzA9 PHE 249 HA 0.53 0.09 0.51 -0.75 4.62 4.99 2dnzA9 PHE 249 HB2 0.03 0.11 0.03 -0.04 3.15 3.28 2dnzA9 PHE 249 HB3 0.17 -0.08 0.03 -0.04 3.06 3.14 2dnzA9 PHE 249 HD2 0.30 0.00 -0.04 -0.04 7.28 7.50 2dnzA9 PHE 249 HE2 0.13 -0.02 -0.13 -0.04 7.38 7.31 2dnzA9 PHE 249 HZ 0.05 -0.01 -0.14 -0.04 7.32 7.18 2dnzA9 GLU 250 H 0.15 0.11 -0.78 -0.55 8.60 7.54 2dnzA9 GLU 250 HA 0.10 0.02 0.52 -0.75 4.29 4.17 2dnzA9 GLU 250 HB2 0.03 -0.05 0.10 -0.04 2.09 2.14 2dnzA9 GLU 250 HB3 0.03 0.14 0.22 -0.04 1.99 2.34 2dnzA9 GLU 250 HG2 -0.02 0.05 -0.12 -0.04 2.34 2.20 2dnzA9 GLU 250 HG3 0.02 -0.10 -0.25 -0.04 2.34 1.97 2dnzA9 PRO 251 HA -0.06 0.03 0.32 -0.51 4.44 4.21 2dnzA9 PRO 251 HB2 -0.33 0.01 0.04 -0.04 2.28 1.96 2dnzA9 PRO 251 HB3 -0.14 -0.04 0.08 -0.04 2.02 1.88 2dnzA9 PRO 251 HG2 -0.61 0.15 -0.03 -0.04 2.03 1.49 2dnzA9 PRO 251 HG3 -0.22 0.00 0.09 -0.04 2.03 1.86 2dnzA9 PRO 251 HD2 -0.06 -0.07 -0.39 -0.04 3.68 3.12 2dnzA9 PRO 251 HD3 -0.06 0.14 0.17 -0.04 3.65 3.85 2dnzA9 PHE 252 H 0.09 0.07 -1.26 -0.55 8.34 6.70 2dnzA9 PHE 252 HA -0.04 0.14 0.75 -0.75 4.62 4.71 2dnzA9 PHE 252 HB2 0.06 0.04 0.00 -0.04 3.15 3.21 2dnzA9 PHE 252 HB3 -0.13 -0.08 -0.04 -0.04 3.06 2.76 2dnzA9 PHE 252 HD2 -0.22 -0.02 -0.05 -0.04 7.28 6.95 2dnzA9 PHE 252 HE2 -0.27 -0.04 -0.09 -0.04 7.38 6.94 2dnzA9 PHE 252 HZ -0.37 0.01 -0.09 -0.04 7.32 6.82 2dnzA9 GLY 253 H 0.39 0.49 -0.04 -0.55 8.43 8.73 2dnzA9 GLY 253 HA2 0.20 -0.00 0.38 -0.51 4.01 4.07 2dnzA9 GLY 253 HA3 0.37 -0.07 0.20 -0.51 4.01 4.00 2dnzA9 LYS 254 H 0.21 0.05 0.08 -0.55 8.42 8.21 2dnzA9 LYS 254 HA 0.09 0.11 0.43 -0.75 4.32 4.20 2dnzA9 LYS 254 HB2 0.09 0.03 0.12 -0.04 1.87 2.07 2dnzA9 LYS 254 HB3 0.11 -0.16 0.16 -0.04 1.79 1.86 2dnzA9 LYS 254 HG2 0.03 0.07 -0.31 -0.04 1.46 1.21 2dnzA9 LYS 254 HG3 0.04 0.04 -0.02 -0.04 1.46 1.48 2dnzA9 LYS 254 HD2 0.04 0.00 0.00 -0.04 1.69 1.69 2dnzA9 LYS 254 HD3 0.05 -0.05 -0.02 -0.04 1.68 1.61 2dnzA9 LYS 254 HE2 0.02 -0.01 -0.02 -0.04 2.99 2.93 2dnzA9 LYS 254 HE3 0.02 0.05 -0.09 -0.04 2.99 2.93 2dnzA9 ILE 255 H 0.01 0.19 0.27 -0.55 8.25 8.17 2dnzA9 ILE 255 HA -0.33 0.12 0.61 -0.75 4.18 3.82 2dnzA9 ILE 255 HB -0.07 -0.03 0.13 -0.04 1.89 1.87 2dnzA9 ILE 255 HG12 -0.27 -0.05 -0.13 -0.04 1.49 1.00 2dnzA9 ILE 255 HG13 -0.03 0.31 0.07 -0.04 1.21 1.52 2dnzA9 ILE 255 HG23 -0.18 -0.03 -0.18 -0.04 0.93 0.50 2dnzA9 ILE 255 HD13 0.03 -0.08 -0.09 -0.04 0.88 0.69 2dnzA9 ASP 256 H -0.12 0.70 0.38 -0.55 8.40 8.81 2dnzA9 ASP 256 HA -0.02 0.08 0.48 -0.75 4.63 4.42 2dnzA9 ASP 256 HB2 0.00 0.04 -0.14 -0.04 2.71 2.56 2dnzA9 ASP 256 HB3 -0.02 -0.06 -0.02 -0.04 2.70 2.55 2dnzA9 ASN 257 H -0.10 0.24 0.16 -0.55 8.53 8.29 2dnzA9 ASN 257 HA -0.06 0.12 0.46 -0.75 4.76 4.54 2dnzA9 ASN 257 HB2 -0.03 0.16 -0.25 -0.04 2.88 2.71 2dnzA9 ASN 257 HB3 -0.04 -0.07 -0.09 -0.04 2.79 2.55 2dnzA9 ASN 257 HD21 -0.03 -0.05 -0.18 -0.04 7.03 6.73 2dnzA9 ASN 257 HD22 -0.03 0.02 -0.12 -0.04 7.74 7.57 2dnzA9 ILE 258 H -0.07 0.24 0.13 -0.55 8.25 8.00 2dnzA9 ILE 258 HA -0.10 0.25 1.07 -0.75 4.18 4.65 2dnzA9 ILE 258 HB -0.10 -0.03 0.09 -0.04 1.89 1.81 2dnzA9 ILE 258 HG12 -0.21 0.06 -0.15 -0.04 1.49 1.15 2dnzA9 ILE 258 HG13 -0.12 -0.11 -0.51 -0.04 1.21 0.42 2dnzA9 ILE 258 HG23 -0.17 0.00 -0.09 -0.04 0.93 0.62 2dnzA9 ILE 258 HD13 -0.12 0.01 -0.12 -0.04 0.88 0.61 2dnzA9 VAL 259 H -0.05 0.72 0.31 -0.55 8.24 8.68 2dnzA9 VAL 259 HA -0.05 0.13 0.97 -0.75 4.13 4.42 2dnzA9 VAL 259 HB 0.00 0.06 -0.04 -0.04 2.12 2.11 2dnzA9 VAL 259 HG13 -0.02 0.05 -0.14 -0.04 0.97 0.82 2dnzA9 VAL 259 HG23 0.06 0.01 0.01 -0.04 0.95 0.99 2dnzA9 LEU 260 H -0.08 0.17 0.17 -0.55 8.37 8.09 2dnzA9 LEU 260 HA -0.20 0.06 0.85 -0.75 4.35 4.31 2dnzA9 LEU 260 HB2 -0.11 -0.01 0.13 -0.04 1.64 1.61 2dnzA9 LEU 260 HB3 -0.17 0.08 -0.05 -0.04 1.64 1.46 2dnzA9 LEU 260 HG -0.13 -0.08 -0.12 -0.04 1.64 1.27 2dnzA9 LEU 260 HD13 -0.13 -0.00 -0.06 -0.04 0.93 0.70 2dnzA9 LEU 260 HD23 -0.19 0.04 -0.14 -0.04 0.89 0.56 2dnzA9 MET 261 H -0.44 0.35 0.36 -0.55 8.47 8.19 2dnzA9 MET 261 HA -0.14 0.14 0.78 -0.75 4.52 4.55 2dnzA9 MET 261 HB2 -1.45 0.05 0.08 -0.04 2.15 0.80 2dnzA9 MET 261 HB3 -0.35 -0.00 -0.04 -0.04 2.03 1.60 2dnzA9 MET 261 HG2 -0.02 -0.03 -0.15 -0.04 2.63 2.38 2dnzA9 MET 261 HG3 -0.11 0.01 -0.11 -0.04 2.56 2.31 2dnzA9 MET 261 HE3 0.13 0.02 -0.12 -0.04 2.10 2.09 2dnzA9 LYS 262 H -0.07 0.29 0.19 -0.55 8.42 8.27 2dnzA9 LYS 262 HA -0.03 0.05 0.85 -0.75 4.32 4.43 2dnzA9 LYS 262 HB2 -0.03 0.04 0.02 -0.04 1.87 1.86 2dnzA9 LYS 262 HB3 0.00 0.09 -0.16 -0.04 1.79 1.68 2dnzA9 LYS 262 HG2 -0.03 0.10 -0.08 -0.04 1.46 1.41 2dnzA9 LYS 262 HG3 -0.06 -0.09 -0.13 -0.04 1.46 1.14 2dnzA9 LYS 262 HD2 -0.14 -0.01 -0.29 -0.04 1.69 1.20 2dnzA9 LYS 262 HD3 -0.13 -0.14 -0.86 -0.04 1.68 0.50 2dnzA9 LYS 262 HE2 -0.09 -0.02 -0.04 -0.04 2.99 2.80 2dnzA9 LYS 262 HE3 -0.05 0.05 -0.04 -0.04 2.99 2.91 2dnzA9 ASP 263 H 0.06 0.12 -0.06 -0.55 8.40 7.98 2dnzA9 ASP 263 HA 0.07 0.15 0.40 -0.75 4.63 4.50 2dnzA9 ASP 263 HB2 0.08 0.14 0.11 -0.04 2.71 3.00 2dnzA9 ASP 263 HB3 0.05 -0.26 0.02 -0.04 2.70 2.47 2dnzA9 SER 264 H 0.04 0.03 0.18 -0.55 8.46 8.16 2dnzA9 SER 264 HA 0.02 0.31 0.86 -0.75 4.49 4.93 2dnzA9 SER 264 HB2 0.03 0.02 0.06 -0.04 3.95 4.02 2dnzA9 SER 264 HB3 0.02 -0.03 0.08 -0.04 3.93 3.96 2dnzA9 ASP 265 H 0.03 -0.02 0.16 -0.55 8.40 8.01 2dnzA9 ASP 265 HA 0.02 0.17 0.43 -0.75 4.63 4.49 2dnzA9 ASP 265 HB2 0.02 -0.13 0.17 -0.04 2.71 2.73 2dnzA9 ASP 265 HB3 0.01 0.10 0.05 -0.04 2.70 2.82 2dnzA9 THR 266 H 0.02 -0.04 -0.01 -0.55 8.28 7.71 2dnzA9 THR 266 HA 0.01 0.23 0.56 -0.75 4.39 4.43 2dnzA9 THR 266 HB 0.01 0.09 0.07 -0.04 4.32 4.45 2dnzA9 THR 266 HG23 0.01 -0.00 0.02 -0.04 1.22 1.21 2dnzA9 GLY 267 H 0.03 -0.17 -0.55 -0.55 8.43 7.19 2dnzA9 GLY 267 HA2 0.03 0.32 0.03 -0.51 4.01 3.88 2dnzA9 GLY 267 HA3 0.03 0.16 0.18 -0.51 4.01 3.87 2dnzA9 ARG 268 H 0.05 -0.11 -0.73 -0.55 8.46 7.11 2dnzA9 ARG 268 HA 0.17 0.18 0.77 -0.75 4.34 4.70 2dnzA9 ARG 268 HB2 0.03 0.09 -0.06 -0.04 1.90 1.91 2dnzA9 ARG 268 HB3 0.05 -0.05 -0.01 -0.04 1.80 1.75 2dnzA9 ARG 268 HG2 0.22 0.04 -0.03 -0.04 1.67 1.87 2dnzA9 ARG 268 HG3 -0.04 0.03 -0.01 -0.04 1.67 1.61 2dnzA9 ARG 268 HD2 -0.03 -0.02 -0.07 -0.04 3.22 3.06 2dnzA9 ARG 268 HD3 -0.23 -0.01 -0.03 -0.04 3.22 2.92 2dnzA9 SER 269 H 0.17 0.22 0.13 -0.55 8.46 8.43 2dnzA9 SER 269 HA 0.02 -0.01 0.43 -0.75 4.49 4.17 2dnzA9 SER 269 HB2 -0.00 0.06 0.12 -0.04 3.95 4.08 2dnzA9 SER 269 HB3 -0.07 -0.05 0.03 -0.04 3.93 3.81 2dnzA9 LYS 270 H 0.15 0.15 0.32 -0.55 8.42 8.49 2dnzA9 LYS 270 HA 0.11 0.14 0.56 -0.75 4.32 4.37 2dnzA9 LYS 270 HB2 0.42 -0.04 0.09 -0.04 1.87 2.30 2dnzA9 LYS 270 HB3 0.10 0.02 0.11 -0.04 1.79 1.97 2dnzA9 LYS 270 HG2 0.25 -0.02 0.19 -0.04 1.46 1.83 2dnzA9 LYS 270 HG3 0.25 -0.01 0.05 -0.04 1.46 1.71 2dnzA9 LYS 270 HD2 0.06 0.01 0.05 -0.04 1.69 1.77 2dnzA9 LYS 270 HD3 0.09 0.12 0.02 -0.04 1.68 1.86 2dnzA9 LYS 270 HE2 0.06 -0.03 0.04 -0.04 2.99 3.01 2dnzA9 LYS 270 HE3 0.11 -0.10 0.04 -0.04 2.99 3.00 2dnzA9 GLY 271 H 0.14 -0.05 0.03 -0.55 8.43 8.00 2dnzA9 GLY 271 HA2 0.04 0.11 0.08 -0.51 4.01 3.72 2dnzA9 GLY 271 HA3 0.08 0.30 1.02 -0.51 4.01 4.90 2dnzA9 TYR 272 H -0.01 0.06 0.25 -0.55 8.29 8.04 2dnzA9 TYR 272 HA -0.25 0.25 0.77 -0.75 4.56 4.58 2dnzA9 TYR 272 HB2 -0.49 0.22 0.27 -0.04 3.06 3.02 2dnzA9 TYR 272 HB3 -0.10 -0.10 -0.03 -0.04 2.98 2.70 2dnzA9 TYR 272 HD2 -0.13 -0.08 -0.04 -0.04 7.15 6.86 2dnzA9 TYR 272 HE2 0.02 -0.04 -0.00 -0.04 6.85 6.78 2dnzA9 GLY 273 H -0.49 0.66 0.41 -0.55 8.43 8.46 2dnzA9 GLY 273 HA2 -0.45 -0.04 0.79 -0.51 4.01 3.79 2dnzA9 GLY 273 HA3 -0.31 0.02 0.37 -0.51 4.01 3.58 2dnzA9 PHE 274 H -0.09 0.77 0.41 -0.55 8.34 8.87 2dnzA9 PHE 274 HA -0.06 0.22 1.16 -0.75 4.62 5.19 2dnzA9 PHE 274 HB2 -0.05 0.01 0.14 -0.04 3.15 3.21 2dnzA9 PHE 274 HB3 -0.01 0.01 -0.01 -0.04 3.06 3.01 2dnzA9 PHE 274 HD2 0.07 0.03 -0.02 -0.04 7.28 7.31 2dnzA9 PHE 274 HE2 0.22 -0.02 -0.07 -0.04 7.38 7.47 2dnzA9 PHE 274 HZ 0.23 0.02 -0.06 -0.04 7.32 7.46 2dnzA9 ILE 275 H 0.15 0.60 0.39 -0.55 8.25 8.84 2dnzA9 ILE 275 HA -0.09 0.23 1.10 -0.75 4.18 4.66 2dnzA9 ILE 275 HB -0.08 0.03 0.03 -0.04 1.89 1.84 2dnzA9 ILE 275 HG12 -0.35 -0.01 -0.08 -0.04 1.49 1.01 2dnzA9 ILE 275 HG13 -0.32 -0.11 -0.56 -0.04 1.21 0.18 2dnzA9 ILE 275 HG23 -0.38 0.01 -0.16 -0.04 0.93 0.36 2dnzA9 ILE 275 HD13 -1.30 0.00 -0.16 -0.04 0.88 -0.62 2dnzA9 THR 276 H -0.13 0.54 0.33 -0.55 8.28 8.48 2dnzA9 THR 276 HA 0.08 0.06 1.06 -0.75 4.39 4.84 2dnzA9 THR 276 HB -0.03 -0.08 0.17 -0.04 4.32 4.34 2dnzA9 THR 276 HG23 0.04 0.06 -0.02 -0.04 1.22 1.26 2dnzA9 PHE 277 H 0.26 0.09 0.02 -0.55 8.34 8.16 2dnzA9 PHE 277 HA 0.07 0.40 0.87 -0.75 4.62 5.21 2dnzA9 PHE 277 HB2 0.08 0.04 -0.04 -0.04 3.15 3.19 2dnzA9 PHE 277 HB3 0.07 -0.18 0.08 -0.04 3.06 2.98 2dnzA9 PHE 277 HD2 0.11 -0.08 -0.29 -0.04 7.28 6.98 2dnzA9 PHE 277 HE2 0.28 0.12 -0.11 -0.04 7.38 7.63 2dnzA9 PHE 277 HZ 0.35 0.00 -0.08 -0.04 7.32 7.55 2dnzA9 SER 278 H 0.29 0.24 0.15 -0.55 8.46 8.59 2dnzA9 SER 278 HA 0.09 0.21 0.89 -0.75 4.49 4.93 2dnzA9 SER 278 HB2 0.07 0.09 -0.05 -0.04 3.95 4.03 2dnzA9 SER 278 HB3 0.09 -0.04 0.13 -0.04 3.93 4.07 2dnzA9 ASP 279 H 0.17 0.15 -0.16 -0.55 8.40 8.02 2dnzA9 ASP 279 HA 0.05 0.14 0.56 -0.75 4.63 4.63 2dnzA9 ASP 279 HB2 0.08 -0.03 -0.04 -0.04 2.71 2.67 2dnzA9 ASP 279 HB3 0.03 -0.24 0.05 -0.04 2.70 2.50 2dnzA9 SER 280 H 0.03 0.25 0.12 -0.55 8.46 8.32 2dnzA9 SER 280 HA 0.03 0.13 0.40 -0.75 4.49 4.31 2dnzA9 SER 280 HB2 -0.00 0.10 -0.00 -0.04 3.95 4.00 2dnzA9 SER 280 HB3 0.02 0.04 0.06 -0.04 3.93 4.01 2dnzA9 GLU 281 H -0.00 0.08 -0.06 -0.55 8.60 8.07 2dnzA9 GLU 281 HA -0.02 0.14 0.45 -0.75 4.29 4.11 2dnzA9 GLU 281 HB2 -0.01 0.09 0.02 -0.04 2.09 2.14 2dnzA9 GLU 281 HB3 -0.01 0.04 0.09 -0.04 1.99 2.07 2dnzA9 GLU 281 HG2 0.00 -0.12 0.09 -0.04 2.34 2.27 2dnzA9 GLU 281 HG3 -0.01 0.04 -0.03 -0.04 2.34 2.31 2dnzA9 CYS 282 H -0.02 -0.03 -0.26 -0.55 8.50 7.64 2dnzA9 CYS 282 HA -0.07 0.16 0.44 -0.75 4.58 4.36 2dnzA9 CYS 282 HB2 -0.01 -0.09 0.12 -0.04 2.97 2.96 2dnzA9 CYS 282 HB3 -0.04 0.14 0.11 -0.04 2.97 3.14 2dnzA9 ALA 283 H -0.17 0.40 -0.22 -0.55 8.40 7.87 2dnzA9 ALA 283 HA -0.99 0.04 0.34 -0.75 4.34 2.98 2dnzA9 ALA 283 HB3 -0.09 0.01 0.09 -0.04 1.41 1.38 2dnzA9 ARG 284 H -0.07 0.40 -0.23 -0.55 8.46 8.01 2dnzA9 ARG 284 HA 0.01 0.03 0.40 -0.75 4.34 4.02 2dnzA9 ARG 284 HB2 -0.02 0.08 0.22 -0.04 1.90 2.14 2dnzA9 ARG 284 HB3 -0.00 -0.02 -0.00 -0.04 1.80 1.73 2dnzA9 ARG 284 HG2 0.20 -0.03 0.05 -0.04 1.67 1.85 2dnzA9 ARG 284 HG3 0.05 0.17 0.09 -0.04 1.67 1.93 2dnzA9 ARG 284 HD2 0.02 -0.00 0.00 -0.04 3.22 3.20 2dnzA9 ARG 284 HD3 -0.01 -0.01 0.00 -0.04 3.22 3.15 2dnzA9 ARG 285 H -0.12 0.50 -0.13 -0.55 8.46 8.16 2dnzA9 ARG 285 HA -0.12 0.01 0.40 -0.75 4.34 3.88 2dnzA9 ARG 285 HB2 -0.10 0.14 0.21 -0.04 1.90 2.10 2dnzA9 ARG 285 HB3 -0.08 0.02 -0.01 -0.04 1.80 1.69 2dnzA9 ARG 285 HG2 -0.05 -0.02 0.06 -0.04 1.67 1.62 2dnzA9 ARG 285 HG3 -0.03 -0.02 0.02 -0.04 1.67 1.61 2dnzA9 ARG 285 HD2 -0.03 0.03 0.01 -0.04 3.22 3.19 2dnzA9 ARG 285 HD3 -0.06 -0.02 0.05 -0.04 3.22 3.14 2dnzA9 ALA 286 H -0.33 0.52 -0.20 -0.55 8.40 7.85 2dnzA9 ALA 286 HA -1.19 0.04 0.35 -0.75 4.34 2.79 2dnzA9 ALA 286 HB3 -0.56 0.06 0.00 -0.04 1.41 0.87 2dnzA9 LEU 287 H -0.32 0.52 -0.31 -0.55 8.37 7.71 2dnzA9 LEU 287 HA -0.23 -0.03 0.36 -0.75 4.35 3.70 2dnzA9 LEU 287 HB2 -0.28 -0.04 0.02 -0.04 1.64 1.30 2dnzA9 LEU 287 HB3 -0.22 0.21 0.19 -0.04 1.64 1.78 2dnzA9 LEU 287 HG -0.13 0.04 -0.37 -0.04 1.64 1.14 2dnzA9 LEU 287 HD13 -0.13 -0.03 -0.19 -0.04 0.93 0.54 2dnzA9 LEU 287 HD23 -0.29 -0.02 -0.02 -0.04 0.89 0.52 2dnzA9 GLU 288 H -0.21 0.48 -0.18 -0.55 8.60 8.14 2dnzA9 GLU 288 HA -0.10 0.02 0.47 -0.75 4.29 3.94 2dnzA9 GLU 288 HB2 -0.13 0.12 0.13 -0.04 2.09 2.18 2dnzA9 GLU 288 HB3 -0.07 -0.05 0.07 -0.04 1.99 1.90 2dnzA9 GLU 288 HG2 -0.06 -0.07 0.03 -0.04 2.34 2.20 2dnzA9 GLU 288 HG3 -0.09 0.22 0.05 -0.04 2.34 2.48 2dnzA9 GLN 289 H -0.36 0.40 -0.23 -0.55 8.47 7.74 2dnzA9 GLN 289 HA -0.17 0.09 0.55 -0.75 4.36 4.08 2dnzA9 GLN 289 HB2 -0.80 0.05 0.09 -0.04 2.15 1.45 2dnzA9 GLN 289 HB3 -0.32 -0.04 -0.00 -0.04 2.02 1.61 2dnzA9 GLN 289 HG2 -0.13 -0.02 -0.05 -0.04 2.40 2.15 2dnzA9 GLN 289 HG3 0.00 -0.03 -0.04 -0.04 2.39 2.28 2dnzA9 GLN 289 HE21 -0.04 -0.00 -0.07 -0.04 6.97 6.81 2dnzA9 GLN 289 HE22 -0.01 -0.04 -0.02 -0.04 7.69 7.58 2dnzA9 LEU 290 H -0.39 0.31 -0.28 -0.55 8.37 7.47 2dnzA9 LEU 290 HA -0.22 0.05 0.58 -0.75 4.35 4.01 2dnzA9 LEU 290 HB2 -0.27 0.03 0.11 -0.04 1.64 1.48 2dnzA9 LEU 290 HB3 -0.09 -0.13 -0.08 -0.04 1.64 1.30 2dnzA9 LEU 290 HG -0.88 0.16 -0.06 -0.04 1.64 0.82 2dnzA9 LEU 290 HD13 -1.00 -0.05 -0.22 -0.04 0.93 -0.39 2dnzA9 LEU 290 HD23 -0.32 -0.02 -0.09 -0.04 0.89 0.41 2dnzA9 ASN 291 H -0.11 0.61 -0.04 -0.55 8.53 8.44 2dnzA9 ASN 291 HA 0.02 -0.09 0.47 -0.75 4.76 4.41 2dnzA9 ASN 291 HB2 -0.00 -0.09 0.14 -0.04 2.88 2.88 2dnzA9 ASN 291 HB3 -0.05 0.25 0.23 -0.04 2.79 3.18 2dnzA9 ASN 291 HD21 0.01 -0.05 -0.21 -0.04 7.03 6.73 2dnzA9 ASN 291 HD22 -0.00 -0.04 -0.04 -0.04 7.74 7.62 2dnzA9 GLY 292 H 0.06 0.35 0.30 -0.55 8.43 8.59 2dnzA9 GLY 292 HA2 0.05 -0.04 0.33 -0.51 4.01 3.84 2dnzA9 GLY 292 HA3 0.05 0.09 0.51 -0.51 4.01 4.14 2dnzA9 PHE 293 H 0.18 0.42 -0.11 -0.55 8.34 8.28 2dnzA9 PHE 293 HA 0.01 0.11 0.57 -0.75 4.62 4.56 2dnzA9 PHE 293 HB2 -0.02 0.28 0.06 -0.04 3.15 3.43 2dnzA9 PHE 293 HB3 0.01 -0.11 0.22 -0.04 3.06 3.14 2dnzA9 PHE 293 HD2 0.04 -0.03 -0.02 -0.04 7.28 7.23 2dnzA9 PHE 293 HE2 0.06 -0.06 -0.05 -0.04 7.38 7.29 2dnzA9 PHE 293 HZ 0.05 -0.05 -0.05 -0.04 7.32 7.23 2dnzA9 GLU 294 H -0.11 0.27 0.10 -0.55 8.60 8.32 2dnzA9 GLU 294 HA -0.11 0.12 -0.07 -0.75 4.29 3.47 2dnzA9 GLU 294 HB2 -0.12 0.02 0.11 -0.04 2.09 2.06 2dnzA9 GLU 294 HB3 -0.12 -0.05 -0.15 -0.04 1.99 1.63 2dnzA9 GLU 294 HG2 -0.04 -0.03 -0.41 -0.04 2.34 1.82 2dnzA9 GLU 294 HG3 -0.03 0.05 -0.12 -0.04 2.34 2.20 2dnzA9 LEU 295 H -0.15 0.39 0.31 -0.55 8.37 8.36 2dnzA9 LEU 295 HA -0.34 0.18 0.70 -0.75 4.35 4.14 2dnzA9 LEU 295 HB2 -0.06 0.14 0.10 -0.04 1.64 1.78 2dnzA9 LEU 295 HB3 -0.02 -0.12 0.23 -0.04 1.64 1.69 2dnzA9 LEU 295 HG -0.01 0.03 0.01 -0.04 1.64 1.64 2dnzA9 LEU 295 HD13 0.17 -0.00 -0.03 -0.04 0.93 1.03 2dnzA9 LEU 295 HD23 0.01 -0.02 -0.20 -0.04 0.89 0.64 2dnzA9 ALA 296 H -0.03 0.22 0.14 -0.55 8.40 8.19 2dnzA9 ALA 296 HA -0.04 0.23 0.76 -0.75 4.34 4.53 2dnzA9 ALA 296 HB3 0.05 -0.00 0.16 -0.04 1.41 1.58 2dnzA9 GLY 297 H -0.07 0.24 -0.84 -0.55 8.43 7.22 2dnzA9 GLY 297 HA2 -0.04 0.05 0.24 -0.51 4.01 3.76 2dnzA9 GLY 297 HA3 -0.01 0.18 0.71 -0.51 4.01 4.37 2dnzA9 ARG 298 H -0.01 0.07 -0.56 -0.55 8.46 7.42 2dnzA9 ARG 298 HA -0.01 0.25 0.88 -0.75 4.34 4.71 2dnzA9 ARG 298 HB2 0.02 -0.05 -0.03 -0.04 1.90 1.80 2dnzA9 ARG 298 HB3 0.01 0.13 -0.01 -0.04 1.80 1.89 2dnzA9 ARG 298 HG2 0.01 0.06 -0.04 -0.04 1.67 1.65 2dnzA9 ARG 298 HG3 0.01 -0.04 -0.18 -0.04 1.67 1.43 2dnzA9 ARG 298 HD2 0.01 -0.03 -0.03 -0.04 3.22 3.13 2dnzA9 ARG 298 HD3 0.02 -0.01 -0.03 -0.04 3.22 3.16 2dnzA9 PRO 299 HA 0.01 0.04 -0.08 -0.51 4.44 3.90 2dnzA9 PRO 299 HB2 0.03 0.06 -0.02 -0.04 2.28 2.31 2dnzA9 PRO 299 HB3 0.02 0.12 -0.03 -0.04 2.02 2.10 2dnzA9 PRO 299 HG2 0.02 0.01 0.10 -0.04 2.03 2.12 2dnzA9 PRO 299 HG3 0.01 0.05 0.08 -0.04 2.03 2.13 2dnzA9 PRO 299 HD2 0.01 0.06 0.20 -0.04 3.68 3.91 2dnzA9 PRO 299 HD3 0.00 0.18 0.17 -0.04 3.65 3.95 2dnzA9 MET 300 H 0.07 0.25 0.16 -0.55 8.47 8.40 2dnzA9 MET 300 HA 0.06 0.20 0.70 -0.75 4.52 4.73 2dnzA9 MET 300 HB2 0.10 0.08 0.15 -0.04 2.15 2.44 2dnzA9 MET 300 HB3 0.09 -0.03 0.19 -0.04 2.03 2.24 2dnzA9 MET 300 HG2 0.19 0.13 0.19 -0.04 2.63 3.10 2dnzA9 MET 300 HG3 0.12 -0.09 -0.23 -0.04 2.56 2.31 2dnzA9 MET 300 HE3 0.33 -0.00 -0.00 -0.04 2.10 2.38 2dnzA9 ARG 301 H 0.09 0.68 0.29 -0.55 8.46 8.97 2dnzA9 ARG 301 HA 0.07 0.13 0.96 -0.75 4.34 4.75 2dnzA9 ARG 301 HB2 0.12 -0.07 0.03 -0.04 1.90 1.95 2dnzA9 ARG 301 HB3 0.12 -0.01 -0.07 -0.04 1.80 1.80 2dnzA9 ARG 301 HG2 0.05 0.06 -0.15 -0.04 1.67 1.59 2dnzA9 ARG 301 HG3 0.05 -0.04 -0.07 -0.04 1.67 1.57 2dnzA9 ARG 301 HD2 0.04 -0.02 0.02 -0.04 3.22 3.22 2dnzA9 ARG 301 HD3 0.05 0.14 -0.14 -0.04 3.22 3.23 2dnzA9 VAL 302 H 0.07 0.23 0.18 -0.55 8.24 8.16 2dnzA9 VAL 302 HA 0.18 0.40 1.10 -0.75 4.13 5.06 2dnzA9 VAL 302 HB 0.00 0.03 0.03 -0.04 2.12 2.14 2dnzA9 VAL 302 HG13 0.04 -0.02 -0.05 -0.04 0.97 0.90 2dnzA9 VAL 302 HG23 0.10 0.03 -0.45 -0.04 0.95 0.58 2dnzA9 GLY 303 H 0.19 0.53 0.33 -0.55 8.43 8.94 2dnzA9 GLY 303 HA2 -0.03 0.15 0.69 -0.51 4.01 4.32 2dnzA9 GLY 303 HA3 0.04 0.03 0.25 -0.51 4.01 3.83 2dnzA9 HIS 304 H 0.07 0.15 0.12 -0.55 8.41 8.21 2dnzA9 HIS 304 HA 0.10 0.17 0.60 -0.75 4.63 4.75 2dnzA9 HIS 304 HB2 0.03 -0.07 0.15 -0.04 3.26 3.34 2dnzA9 HIS 304 HB3 0.05 0.07 -0.05 -0.04 3.20 3.22 2dnzA9 HIS 304 HD2 0.01 -0.02 0.05 -0.04 6.97 6.95 2dnzA9 HIS 304 HE1 -0.02 -0.04 -0.07 -0.04 7.75 7.58 2dnzA9 VAL 305 H 0.23 0.33 0.18 -0.55 8.24 8.42 2dnzA9 VAL 305 HA 0.24 -0.01 0.24 -0.75 4.13 3.84 2dnzA9 VAL 305 HB 0.17 -0.02 -0.05 -0.04 2.12 2.19 2dnzA9 VAL 305 HG13 0.11 -0.00 -0.18 -0.04 0.97 0.85 2dnzA9 VAL 305 HG23 0.42 -0.03 -0.33 -0.04 0.95 0.97 2dnzA9 THR 306 H 0.09 0.11 0.24 -0.55 8.28 8.18 2dnzA9 THR 306 HA 0.05 0.07 0.72 -0.75 4.39 4.48 2dnzA9 THR 306 HB 0.03 -0.02 0.01 -0.04 4.32 4.30 2dnzA9 THR 306 HG23 0.02 -0.03 -0.17 -0.04 1.22 1.01 2dnzA9 GLU 307 H 0.02 0.07 0.12 -0.55 8.60 8.27 2dnzA9 GLU 307 HA 0.02 0.22 0.92 -0.75 4.29 4.69 2dnzA9 GLU 307 HB2 -0.00 0.01 -0.00 -0.04 2.09 2.06 2dnzA9 GLU 307 HB3 0.00 0.02 -0.10 -0.04 1.99 1.87 2dnzA9 GLU 307 HG2 0.01 -0.08 0.16 -0.04 2.34 2.39 2dnzA9 GLU 307 HG3 0.00 0.06 -0.04 -0.04 2.34 2.33 2dnzA9 ARG 308 H 0.01 0.10 0.16 -0.55 8.46 8.18 2dnzA9 ARG 308 HA 0.00 0.12 0.69 -0.75 4.34 4.40 2dnzA9 ARG 308 HB2 0.00 -0.04 -0.01 -0.04 1.90 1.81 2dnzA9 ARG 308 HB3 0.00 0.10 0.02 -0.04 1.80 1.88 2dnzA9 ARG 308 HG2 0.00 0.06 0.06 -0.04 1.67 1.75 2dnzA9 ARG 308 HG3 0.00 -0.07 -0.57 -0.04 1.67 1.00 2dnzA9 ARG 308 HD2 -0.00 -0.04 -0.07 -0.04 3.22 3.07 2dnzA9 ARG 308 HD3 0.00 0.02 -0.02 -0.04 3.22 3.18 2dnzA9 LEU 309 H 0.00 0.12 0.12 -0.55 8.37 8.06 2dnzA9 LEU 309 HA 0.00 0.11 0.59 -0.75 4.35 4.29 2dnzA9 LEU 309 HB2 0.00 -0.01 0.07 -0.04 1.64 1.66 2dnzA9 LEU 309 HB3 -0.00 0.06 -0.01 -0.04 1.64 1.65 2dnzA9 LEU 309 HG 0.00 0.02 -0.01 -0.04 1.64 1.61 2dnzA9 LEU 309 HD13 0.00 0.01 -0.01 -0.04 0.93 0.89 2dnzA9 LEU 309 HD23 0.00 0.00 -0.20 -0.04 0.89 0.66 2dnzA9 ASP 310 H -0.00 0.24 0.09 -0.55 8.40 8.18 2dnzA9 ASP 310 HA -0.00 0.14 0.91 -0.75 4.63 4.92 2dnzA9 ASP 310 HB2 -0.00 -0.04 -0.05 -0.04 2.71 2.58 2dnzA9 ASP 310 HB3 -0.01 0.21 0.17 -0.04 2.70 3.04 2dnzA9 GLY 311 H -0.00 0.15 -0.05 -0.55 8.43 7.98 2dnzA9 GLY 311 HA2 -0.00 -0.00 0.30 -0.51 4.01 3.80 2dnzA9 GLY 311 HA3 -0.00 0.01 0.33 -0.51 4.01 3.83 2dnzA9 GLY 312 H -0.00 0.17 0.23 -0.55 8.43 8.28 2dnzA9 GLY 312 HA2 -0.00 0.11 0.63 -0.51 4.01 4.23 2dnzA9 GLY 312 HA3 -0.00 0.03 0.39 -0.51 4.01 3.92 2dnzA9 SER 313 H -0.00 0.44 -0.03 -0.55 8.46 8.32 2dnzA9 SER 313 HA -0.00 0.09 0.79 -0.75 4.49 4.61 2dnzA9 SER 313 HB2 -0.00 -0.01 -0.26 -0.04 3.95 3.64 2dnzA9 SER 313 HB3 -0.00 0.01 0.06 -0.04 3.93 3.96 2dnzA9 GLY 314 H -0.00 0.13 -0.05 -0.55 8.43 7.96 2dnzA9 GLY 314 HA2 -0.00 0.13 0.59 -0.51 4.01 4.22 2dnzA9 GLY 314 HA3 -0.00 0.01 0.36 -0.51 4.01 3.86 2dnzA9 PRO 315 HA -0.00 0.08 0.43 -0.51 4.44 4.44 2dnzA9 PRO 315 HB2 -0.00 0.03 0.08 -0.04 2.28 2.34 2dnzA9 PRO 315 HB3 -0.00 0.03 0.12 -0.04 2.02 2.12 2dnzA9 PRO 315 HG2 -0.00 0.04 -0.07 -0.04 2.03 1.96 2dnzA9 PRO 315 HG3 -0.00 0.04 0.01 -0.04 2.03 2.04 2dnzA9 PRO 315 HD2 -0.00 0.17 -0.01 -0.04 3.68 3.80 2dnzA9 PRO 315 HD3 -0.00 0.03 0.04 -0.04 3.65 3.68 2dnzA9 SER 316 H -0.00 0.21 0.20 -0.55 8.46 8.33 2dnzA9 SER 316 HA -0.00 0.14 0.58 -0.75 4.49 4.45 2dnzA9 SER 316 HB2 -0.00 -0.02 0.03 -0.04 3.95 3.92 2dnzA9 SER 316 HB3 -0.00 0.17 -0.26 -0.04 3.93 3.79 2dnzA9 SER 317 H -0.00 0.20 0.07 -0.55 8.46 8.19 2dnzA9 SER 317 HA -0.00 0.12 0.65 -0.75 4.49 4.51 2dnzA9 SER 317 HB2 -0.00 0.03 0.08 -0.04 3.95 4.02 2dnzA9 SER 317 HB3 -0.00 0.02 0.08 -0.04 3.93 3.99 2dnzA9 GLY 318 H -0.00 0.33 0.08 -0.55 8.43 8.30 2dnzA9 GLY 318 HA2 -0.00 0.05 0.16 -0.51 4.01 3.71 2dnzA9 GLY 318 HA3 -0.00 0.05 0.14 -0.51 4.01 3.70