============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 5 rings ring int. center anis. iso. TYR 8 0.840 -16.393 1.775 55.825 -99.200 -91.000 HIS 9 0.900 -19.988 -0.652 53.149 -99.200 -91.000 TYR 29 0.840 -3.255 14.936 27.049 -99.200 -91.000 TYR 35 0.840 -6.935 10.322 14.871 -99.200 -91.000 HIS 44 0.900 4.443 16.180 7.510 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2z5hG1 GLY 233 HA2 0.01 -0.12 0.20 -0.51 4.01 3.59 2z5hG1 GLY 233 HA3 0.01 0.02 0.19 -0.51 4.01 3.72 2z5hG1 GLU 234 H 0.01 -0.01 0.02 -0.55 8.60 8.08 2z5hG1 GLU 234 HA 0.03 0.23 0.73 -0.75 4.29 4.52 2z5hG1 GLU 234 HB2 0.02 -0.09 0.19 -0.04 2.09 2.17 2z5hG1 GLU 234 HB3 0.02 0.07 0.12 -0.04 1.99 2.16 2z5hG1 GLU 234 HG2 0.01 0.05 -0.07 -0.04 2.34 2.29 2z5hG1 GLU 234 HG3 0.01 0.09 -0.63 -0.04 2.34 1.77 2z5hG1 LEU 235 H 0.01 0.19 0.18 -0.55 8.37 8.21 2z5hG1 LEU 235 HA 0.02 0.08 -0.12 -0.75 4.35 3.58 2z5hG1 LEU 235 HB2 0.01 0.02 0.15 -0.04 1.64 1.77 2z5hG1 LEU 235 HB3 0.01 0.05 0.01 -0.04 1.64 1.67 2z5hG1 LEU 235 HG 0.01 -0.01 0.11 -0.04 1.64 1.72 2z5hG1 LEU 235 HD13 0.01 0.03 0.03 -0.04 0.93 0.95 2z5hG1 LEU 235 HD23 0.02 0.00 -0.00 -0.04 0.89 0.87 2z5hG1 LEU 236 H 0.01 0.11 0.10 -0.55 8.37 8.05 2z5hG1 LEU 236 HA 0.01 0.09 0.43 -0.75 4.35 4.13 2z5hG1 LEU 236 HB2 -0.01 -0.02 0.10 -0.04 1.64 1.67 2z5hG1 LEU 236 HB3 -0.02 0.07 0.04 -0.04 1.64 1.69 2z5hG1 LEU 236 HG -0.00 -0.06 0.10 -0.04 1.64 1.63 2z5hG1 LEU 236 HD13 -0.01 0.02 0.03 -0.04 0.93 0.93 2z5hG1 LEU 236 HD23 -0.00 0.02 0.04 -0.04 0.89 0.91 2z5hG1 SER 237 H 0.02 0.20 -0.19 -0.55 8.46 7.94 2z5hG1 SER 237 HA -0.02 0.09 0.47 -0.75 4.49 4.27 2z5hG1 SER 237 HB2 0.06 0.16 0.06 -0.04 3.95 4.19 2z5hG1 SER 237 HB3 0.07 0.02 0.01 -0.04 3.93 3.98 2z5hG1 LYS 238 H 0.06 0.34 -0.08 -0.55 8.42 8.18 2z5hG1 LYS 238 HA 0.18 0.07 0.40 -0.75 4.32 4.21 2z5hG1 LYS 238 HB2 0.05 0.03 0.07 -0.04 1.87 1.97 2z5hG1 LYS 238 HB3 0.06 -0.01 0.04 -0.04 1.79 1.84 2z5hG1 LYS 238 HG2 0.08 0.01 0.01 -0.04 1.46 1.52 2z5hG1 LYS 238 HG3 0.06 0.19 0.00 -0.04 1.46 1.67 2z5hG1 LYS 238 HD2 0.03 -0.07 -0.07 -0.04 1.69 1.54 2z5hG1 LYS 238 HD3 0.04 0.01 -0.01 -0.04 1.68 1.67 2z5hG1 LYS 238 HE2 0.03 0.02 0.02 -0.04 2.99 3.01 2z5hG1 LYS 238 HE3 0.04 0.06 0.05 -0.04 2.99 3.09 2z5hG1 ASN 239 H 0.04 0.70 -0.11 -0.55 8.53 8.62 2z5hG1 ASN 239 HA 0.03 -0.01 0.37 -0.75 4.76 4.39 2z5hG1 ASN 239 HB2 0.03 0.12 0.15 -0.04 2.88 3.13 2z5hG1 ASN 239 HB3 0.02 -0.03 0.02 -0.04 2.79 2.77 2z5hG1 ASN 239 HD21 0.01 -0.02 -0.03 -0.04 7.03 6.95 2z5hG1 ASN 239 HD22 0.01 0.00 -0.03 -0.04 7.74 7.69 2z5hG1 TYR 240 H 0.08 0.38 -0.28 -0.55 8.29 7.92 2z5hG1 TYR 240 HA -0.07 -0.00 0.32 -0.75 4.56 4.05 2z5hG1 TYR 240 HB2 -0.11 -0.00 0.15 -0.04 3.06 3.05 2z5hG1 TYR 240 HB3 -0.25 0.13 0.24 -0.04 2.98 3.06 2z5hG1 TYR 240 HD2 -0.43 0.02 0.02 -0.04 7.15 6.73 2z5hG1 TYR 240 HE2 -0.05 -0.00 -0.01 -0.04 6.85 6.74 2z5hG1 HIS 241 H -0.10 0.41 -0.28 -0.55 8.41 7.89 2z5hG1 HIS 241 HA -0.30 0.03 0.42 -0.75 4.63 4.03 2z5hG1 HIS 241 HB2 -0.01 0.15 0.19 -0.04 3.26 3.56 2z5hG1 HIS 241 HB3 -0.05 -0.05 0.00 -0.04 3.20 3.07 2z5hG1 HIS 241 HD2 0.07 -0.03 -0.07 -0.04 6.97 6.89 2z5hG1 HIS 241 HE1 0.19 -0.01 -0.01 -0.04 7.75 7.87 2z5hG1 LEU 242 H 0.05 0.69 0.08 -0.55 8.37 8.64 2z5hG1 LEU 242 HA 0.01 0.01 0.43 -0.75 4.35 4.04 2z5hG1 LEU 242 HB2 0.02 0.05 0.19 -0.04 1.64 1.85 2z5hG1 LEU 242 HB3 0.01 -0.04 0.03 -0.04 1.64 1.60 2z5hG1 LEU 242 HG 0.05 0.15 0.07 -0.04 1.64 1.87 2z5hG1 LEU 242 HD13 0.02 -0.02 -0.06 -0.04 0.93 0.83 2z5hG1 LEU 242 HD23 0.01 -0.01 0.02 -0.04 0.89 0.87 2z5hG1 GLU 243 H -0.04 0.79 -0.13 -0.55 8.60 8.67 2z5hG1 GLU 243 HA -0.02 -0.02 0.32 -0.75 4.29 3.81 2z5hG1 GLU 243 HB2 -0.06 0.19 0.14 -0.04 2.09 2.32 2z5hG1 GLU 243 HB3 -0.03 -0.05 0.02 -0.04 1.99 1.89 2z5hG1 GLU 243 HG2 -0.00 -0.07 0.04 -0.04 2.34 2.27 2z5hG1 GLU 243 HG3 -0.00 0.14 0.06 -0.04 2.34 2.49 2z5hG1 ASN 244 H -0.14 0.44 -0.22 -0.55 8.53 8.05 2z5hG1 ASN 244 HA -0.08 -0.00 0.42 -0.75 4.76 4.34 2z5hG1 ASN 244 HB2 -0.16 0.19 0.21 -0.04 2.88 3.08 2z5hG1 ASN 244 HB3 -0.10 -0.07 0.08 -0.04 2.79 2.66 2z5hG1 ASN 244 HD21 -1.06 -0.08 0.01 -0.04 7.03 5.86 2z5hG1 ASN 244 HD22 -0.69 -0.03 0.02 -0.04 7.74 7.00 2z5hG1 GLU 245 H -0.04 0.42 -0.42 -0.55 8.60 8.02 2z5hG1 GLU 245 HA -0.02 0.03 0.37 -0.75 4.29 3.91 2z5hG1 GLU 245 HB2 -0.02 0.08 0.12 -0.04 2.09 2.23 2z5hG1 GLU 245 HB3 -0.01 0.09 0.16 -0.04 1.99 2.18 2z5hG1 GLU 245 HG2 -0.01 -0.05 -0.02 -0.04 2.34 2.21 2z5hG1 GLU 245 HG3 -0.02 -0.02 0.07 -0.04 2.34 2.33 2z5hG1 VAL 246 H -0.02 0.57 0.02 -0.55 8.24 8.26 2z5hG1 VAL 246 HA -0.01 0.00 0.36 -0.75 4.13 3.73 2z5hG1 VAL 246 HB -0.01 0.13 0.21 -0.04 2.12 2.40 2z5hG1 VAL 246 HG13 -0.01 -0.02 -0.06 -0.04 0.97 0.85 2z5hG1 VAL 246 HG23 -0.01 0.03 0.04 -0.04 0.95 0.97 2z5hG1 ALA 247 H -0.02 0.52 -0.22 -0.55 8.40 8.12 2z5hG1 ALA 247 HA -0.01 -0.01 0.28 -0.75 4.34 3.84 2z5hG1 ALA 247 HB3 -0.02 0.04 0.10 -0.04 1.41 1.49 2z5hG1 ARG 248 H -0.02 0.38 -0.32 -0.55 8.46 7.95 2z5hG1 ARG 248 HA -0.01 -0.00 0.37 -0.75 4.34 3.94 2z5hG1 ARG 248 HB2 -0.02 0.14 0.28 -0.04 1.90 2.26 2z5hG1 ARG 248 HB3 -0.01 -0.04 0.02 -0.04 1.80 1.73 2z5hG1 ARG 248 HG2 -0.01 -0.05 0.06 -0.04 1.67 1.63 2z5hG1 ARG 248 HG3 -0.02 0.02 0.07 -0.04 1.67 1.71 2z5hG1 ARG 248 HD2 -0.02 -0.02 0.02 -0.04 3.22 3.17 2z5hG1 ARG 248 HD3 -0.01 -0.03 0.01 -0.04 3.22 3.14 2z5hG1 LEU 249 H -0.01 0.69 -0.08 -0.55 8.37 8.42 2z5hG1 LEU 249 HA -0.01 -0.01 0.46 -0.75 4.35 4.03 2z5hG1 LEU 249 HB2 -0.01 0.15 0.23 -0.04 1.64 1.97 2z5hG1 LEU 249 HB3 -0.01 -0.05 0.04 -0.04 1.64 1.58 2z5hG1 LEU 249 HG -0.01 -0.04 0.04 -0.04 1.64 1.59 2z5hG1 LEU 249 HD13 -0.01 0.01 0.00 -0.04 0.93 0.89 2z5hG1 LEU 249 HD23 -0.01 0.01 -0.05 -0.04 0.89 0.79 2z5hG1 LYS 250 H -0.01 0.75 -0.04 -0.55 8.42 8.57 2z5hG1 LYS 250 HA -0.01 -0.02 0.33 -0.75 4.32 3.87 2z5hG1 LYS 250 HB2 -0.01 0.12 0.17 -0.04 1.87 2.11 2z5hG1 LYS 250 HB3 -0.01 -0.05 0.02 -0.04 1.79 1.72 2z5hG1 LYS 250 HG2 -0.01 -0.05 0.05 -0.04 1.46 1.41 2z5hG1 LYS 250 HG3 -0.01 0.14 0.06 -0.04 1.46 1.61 2z5hG1 LYS 250 HD2 -0.01 -0.00 -0.05 -0.04 1.69 1.59 2z5hG1 LYS 250 HD3 -0.01 -0.02 -0.00 -0.04 1.68 1.61 2z5hG1 LYS 250 HE2 -0.01 -0.01 -0.00 -0.04 2.99 2.93 2z5hG1 LYS 250 HE3 -0.01 -0.01 -0.01 -0.04 2.99 2.92 2z5hG1 LYS 251 H -0.01 0.52 -0.17 -0.55 8.42 8.21 2z5hG1 LYS 251 HA -0.01 0.01 0.48 -0.75 4.32 4.05 2z5hG1 LYS 251 HB2 -0.01 0.04 0.14 -0.04 1.87 2.00 2z5hG1 LYS 251 HB3 -0.01 0.14 0.12 -0.04 1.79 2.01 2z5hG1 LYS 251 HG2 -0.00 -0.06 0.03 -0.04 1.46 1.38 2z5hG1 LYS 251 HG3 -0.01 -0.02 0.07 -0.04 1.46 1.46 2z5hG1 LYS 251 HD2 -0.00 0.01 0.01 -0.04 1.69 1.67 2z5hG1 LYS 251 HD3 -0.00 0.03 -0.01 -0.04 1.68 1.65 2z5hG1 LYS 251 HE2 -0.00 -0.01 0.01 -0.04 2.99 2.95 2z5hG1 LYS 251 HE3 -0.00 0.00 0.00 -0.04 2.99 2.95 2z5hG1 LEU 252 H -0.01 0.42 -0.24 -0.55 8.37 8.00 2z5hG1 LEU 252 HA -0.00 0.01 0.56 -0.75 4.35 4.16 2z5hG1 LEU 252 HB2 -0.00 0.06 0.14 -0.04 1.64 1.80 2z5hG1 LEU 252 HB3 -0.00 0.14 0.25 -0.04 1.64 1.98 2z5hG1 LEU 252 HG -0.00 -0.02 -0.18 -0.04 1.64 1.40 2z5hG1 LEU 252 HD13 -0.00 -0.03 0.07 -0.04 0.93 0.93 2z5hG1 LEU 252 HD23 -0.00 -0.00 0.00 -0.04 0.89 0.84 2z5hG1 VAL 253 H -0.00 0.72 0.04 -0.55 8.24 8.45 2z5hG1 VAL 253 HA -0.00 -0.01 0.45 -0.75 4.13 3.81 2z5hG1 VAL 253 HB -0.01 0.13 0.20 -0.04 2.12 2.41 2z5hG1 VAL 253 HG13 -0.00 -0.02 -0.05 -0.04 0.97 0.85 2z5hG1 VAL 253 HG23 -0.00 0.01 0.05 -0.04 0.95 0.96 2z5hG1 ASP 254 H -0.01 0.52 -0.23 -0.55 8.40 8.14 2z5hG1 ASP 254 HA -0.01 -0.01 0.40 -0.75 4.63 4.26 2z5hG1 ASP 254 HB2 -0.01 0.11 0.23 -0.04 2.71 3.00 2z5hG1 ASP 254 HB3 -0.01 -0.03 -0.01 -0.04 2.70 2.61 2z5hG1 ASP 255 H -0.00 0.57 -0.12 -0.55 8.40 8.30 2z5hG1 ASP 255 HA 0.00 -0.01 0.36 -0.75 4.63 4.23 2z5hG1 ASP 255 HB2 0.00 0.08 0.23 -0.04 2.71 2.98 2z5hG1 ASP 255 HB3 0.00 -0.06 0.07 -0.04 2.70 2.67 2z5hG1 LEU 256 H 0.00 0.68 -0.18 -0.55 8.37 8.33 2z5hG1 LEU 256 HA 0.01 0.01 0.55 -0.75 4.35 4.16 2z5hG1 LEU 256 HB2 0.00 0.13 0.18 -0.04 1.64 1.90 2z5hG1 LEU 256 HB3 0.01 -0.07 0.05 -0.04 1.64 1.59 2z5hG1 LEU 256 HG 0.00 0.21 0.08 -0.04 1.64 1.89 2z5hG1 LEU 256 HD13 0.00 -0.02 -0.03 -0.04 0.93 0.84 2z5hG1 LEU 256 HD23 0.00 -0.02 0.01 -0.04 0.89 0.84 2z5hG1 GLU 257 H 0.01 0.64 -0.02 -0.55 8.60 8.68 2z5hG1 GLU 257 HA 0.02 -0.03 0.34 -0.75 4.29 3.87 2z5hG1 GLU 257 HB2 -0.00 0.13 0.22 -0.04 2.09 2.39 2z5hG1 GLU 257 HB3 0.00 -0.06 0.07 -0.04 1.99 1.97 2z5hG1 GLU 257 HG2 0.01 -0.06 0.07 -0.04 2.34 2.32 2z5hG1 GLU 257 HG3 0.00 0.09 0.10 -0.04 2.34 2.50 2z5hG1 ASP 258 H 0.01 0.52 -0.35 -0.55 8.40 8.03 2z5hG1 ASP 258 HA 0.04 0.00 0.48 -0.75 4.63 4.39 2z5hG1 ASP 258 HB2 0.01 0.19 0.17 -0.04 2.71 3.04 2z5hG1 ASP 258 HB3 0.02 -0.05 -0.00 -0.04 2.70 2.62 2z5hG1 GLU 259 H 0.03 0.54 0.01 -0.55 8.60 8.63 2z5hG1 GLU 259 HA 0.04 -0.00 0.51 -0.75 4.29 4.08 2z5hG1 GLU 259 HB2 0.02 0.14 0.32 -0.04 2.09 2.53 2z5hG1 GLU 259 HB3 0.02 -0.03 0.02 -0.04 1.99 1.96 2z5hG1 GLU 259 HG2 0.02 0.02 0.09 -0.04 2.34 2.43 2z5hG1 GLU 259 HG3 0.01 -0.02 0.05 -0.04 2.34 2.35 2z5hG1 LEU 260 H 0.04 0.69 -0.14 -0.55 8.37 8.41 2z5hG1 LEU 260 HA 0.02 -0.01 0.36 -0.75 4.35 3.96 2z5hG1 LEU 260 HB2 0.03 0.15 0.14 -0.04 1.64 1.93 2z5hG1 LEU 260 HB3 0.06 0.05 0.10 -0.04 1.64 1.81 2z5hG1 LEU 260 HG 0.01 0.00 0.02 -0.04 1.64 1.63 2z5hG1 LEU 260 HD13 0.01 -0.01 -0.01 -0.04 0.93 0.88 2z5hG1 LEU 260 HD23 -0.01 -0.02 0.03 -0.04 0.89 0.85 2z5hG1 TYR 261 H 0.17 0.59 -0.00 -0.55 8.29 8.50 2z5hG1 TYR 261 HA 0.00 -0.04 0.41 -0.75 4.56 4.18 2z5hG1 TYR 261 HB2 0.00 0.06 0.18 -0.04 3.06 3.26 2z5hG1 TYR 261 HB3 0.00 0.10 0.19 -0.04 2.98 3.23 2z5hG1 TYR 261 HD2 0.00 0.02 -0.07 -0.04 7.15 7.07 2z5hG1 TYR 261 HE2 0.01 -0.01 -0.01 -0.04 6.85 6.80 2z5hG1 ALA 262 H 0.14 0.67 -0.19 -0.55 8.40 8.48 2z5hG1 ALA 262 HA 0.05 -0.02 0.52 -0.75 4.34 4.14 2z5hG1 ALA 262 HB3 0.06 0.02 0.15 -0.04 1.41 1.60 2z5hG1 GLN 263 H 0.02 0.69 0.00 -0.55 8.47 8.65 2z5hG1 GLN 263 HA 0.02 -0.02 0.42 -0.75 4.36 4.02 2z5hG1 GLN 263 HB2 0.01 0.14 0.24 -0.04 2.15 2.49 2z5hG1 GLN 263 HB3 0.01 -0.07 0.02 -0.04 2.02 1.94 2z5hG1 GLN 263 HG2 0.02 0.09 0.10 -0.04 2.40 2.57 2z5hG1 GLN 263 HG3 0.01 -0.04 0.00 -0.04 2.39 2.32 2z5hG1 GLN 263 HE21 0.03 -0.01 0.01 -0.04 6.97 6.95 2z5hG1 GLN 263 HE22 0.02 0.00 0.00 -0.04 7.69 7.68 2z5hG1 LYS 264 H -0.03 0.88 0.06 -0.55 8.42 8.76 2z5hG1 LYS 264 HA -0.03 -0.02 0.50 -0.75 4.32 4.02 2z5hG1 LYS 264 HB2 -0.09 0.11 0.13 -0.04 1.87 1.98 2z5hG1 LYS 264 HB3 -0.11 -0.03 0.05 -0.04 1.79 1.66 2z5hG1 LYS 264 HG2 -0.10 -0.03 0.05 -0.04 1.46 1.33 2z5hG1 LYS 264 HG3 -0.09 -0.03 0.02 -0.04 1.46 1.33 2z5hG1 LYS 264 HD2 -0.06 -0.02 -0.02 -0.04 1.69 1.56 2z5hG1 LYS 264 HD3 -0.02 0.04 -0.10 -0.04 1.68 1.55 2z5hG1 LYS 264 HE2 -0.03 0.01 -0.01 -0.04 2.99 2.92 2z5hG1 LYS 264 HE3 -0.05 -0.01 -0.00 -0.04 2.99 2.88 2z5hG1 LEU 265 H -0.14 0.58 -0.26 -0.55 8.37 8.00 2z5hG1 LEU 265 HA -0.10 -0.03 0.43 -0.75 4.35 3.90 2z5hG1 LEU 265 HB2 -0.09 0.28 0.26 -0.04 1.64 2.05 2z5hG1 LEU 265 HB3 -0.06 -0.08 0.01 -0.04 1.64 1.47 2z5hG1 LEU 265 HG -0.55 0.17 0.10 -0.04 1.64 1.33 2z5hG1 LEU 265 HD13 -0.03 -0.02 0.02 -0.04 0.93 0.86 2z5hG1 LEU 265 HD23 -0.20 -0.03 0.02 -0.04 0.89 0.64 2z5hG1 LYS 266 H -0.00 0.52 -0.04 -0.55 8.42 8.34 2z5hG1 LYS 266 HA 0.00 -0.02 0.46 -0.75 4.32 4.01 2z5hG1 LYS 266 HB2 0.01 0.01 0.15 -0.04 1.87 2.00 2z5hG1 LYS 266 HB3 0.03 0.16 0.20 -0.04 1.79 2.14 2z5hG1 LYS 266 HG2 0.01 -0.05 0.03 -0.04 1.46 1.41 2z5hG1 LYS 266 HG3 0.01 -0.03 0.07 -0.04 1.46 1.47 2z5hG1 LYS 266 HD2 0.04 0.05 0.02 -0.04 1.69 1.75 2z5hG1 LYS 266 HD3 0.02 -0.03 -0.02 -0.04 1.68 1.61 2z5hG1 LYS 266 HE2 0.01 -0.02 0.01 -0.04 2.99 2.95 2z5hG1 LYS 266 HE3 0.02 0.01 0.01 -0.04 2.99 2.99 2z5hG1 TYR 267 H 0.12 0.42 -0.43 -0.55 8.29 7.86 2z5hG1 TYR 267 HA -0.02 0.02 0.47 -0.75 4.56 4.28 2z5hG1 TYR 267 HB2 -0.02 0.04 0.10 -0.04 3.06 3.14 2z5hG1 TYR 267 HB3 -0.03 0.15 0.22 -0.04 2.98 3.28 2z5hG1 TYR 267 HD2 -0.02 0.02 -0.12 -0.04 7.15 6.99 2z5hG1 TYR 267 HE2 -0.01 -0.00 -0.03 -0.04 6.85 6.76 2z5hG1 LYS 268 H 0.13 0.62 0.13 -0.55 8.42 8.74 2z5hG1 LYS 268 HA 0.07 -0.01 0.45 -0.75 4.32 4.08 2z5hG1 LYS 268 HB2 0.03 0.06 0.18 -0.04 1.87 2.10 2z5hG1 LYS 268 HB3 0.00 0.09 0.13 -0.04 1.79 1.97 2z5hG1 LYS 268 HG2 0.01 -0.02 -0.04 -0.04 1.46 1.36 2z5hG1 LYS 268 HG3 0.03 -0.03 0.09 -0.04 1.46 1.51 2z5hG1 LYS 268 HD2 0.01 -0.02 0.02 -0.04 1.69 1.66 2z5hG1 LYS 268 HD3 -0.01 0.02 0.02 -0.04 1.68 1.67 2z5hG1 LYS 268 HE2 -0.01 -0.01 0.00 -0.04 2.99 2.94 2z5hG1 LYS 268 HE3 -0.01 0.02 -0.01 -0.04 2.99 2.96 2z5hG1 ALA 269 H -0.01 0.51 -0.29 -0.55 8.40 8.07 2z5hG1 ALA 269 HA -0.01 0.01 0.44 -0.75 4.34 4.03 2z5hG1 ALA 269 HB3 -0.01 0.04 0.10 -0.04 1.41 1.50 2z5hG1 ILE 270 H -0.09 0.47 -0.08 -0.55 8.25 8.00 2z5hG1 ILE 270 HA -0.06 0.01 0.37 -0.75 4.18 3.75 2z5hG1 ILE 270 HB -0.08 0.09 0.18 -0.04 1.89 2.04 2z5hG1 ILE 270 HG12 -0.09 -0.00 0.03 -0.04 1.49 1.39 2z5hG1 ILE 270 HG13 -0.10 -0.05 0.09 -0.04 1.21 1.11 2z5hG1 ILE 270 HG23 -0.30 0.05 -0.00 -0.04 0.93 0.64 2z5hG1 ILE 270 HD13 -0.04 -0.01 0.05 -0.04 0.88 0.84 2z5hG1 SER 271 H -0.19 0.55 -0.26 -0.55 8.46 8.01 2z5hG1 SER 271 HA -0.19 0.02 0.51 -0.75 4.49 4.07 2z5hG1 SER 271 HB2 -0.39 -0.01 0.05 -0.04 3.95 3.56 2z5hG1 SER 271 HB3 -0.10 0.13 0.17 -0.04 3.93 4.09 2z5hG1 GLU 272 H -0.04 0.50 -0.14 -0.55 8.60 8.37 2z5hG1 GLU 272 HA -0.03 0.01 0.50 -0.75 4.29 4.01 2z5hG1 GLU 272 HB2 0.03 0.18 0.26 -0.04 2.09 2.53 2z5hG1 GLU 272 HB3 0.14 -0.05 0.04 -0.04 1.99 2.08 2z5hG1 GLU 272 HG2 0.02 -0.05 0.06 -0.04 2.34 2.33 2z5hG1 GLU 272 HG3 0.00 0.01 0.07 -0.04 2.34 2.38 2z5hG1 GLU 273 H 0.02 0.51 -0.05 -0.55 8.60 8.53 2z5hG1 GLU 273 HA 0.12 0.00 0.43 -0.75 4.29 4.08 2z5hG1 GLU 273 HB2 -0.02 0.17 0.16 -0.04 2.09 2.36 2z5hG1 GLU 273 HB3 0.00 -0.03 -0.01 -0.04 1.99 1.91 2z5hG1 GLU 273 HG2 -0.00 -0.04 0.06 -0.04 2.34 2.32 2z5hG1 GLU 273 HG3 -0.00 0.13 0.10 -0.04 2.34 2.53 2z5hG1 LEU 274 H -0.03 0.41 -0.36 -0.55 8.37 7.84 2z5hG1 LEU 274 HA -0.01 0.01 0.44 -0.75 4.35 4.03 2z5hG1 LEU 274 HB2 -0.07 0.12 0.23 -0.04 1.64 1.88 2z5hG1 LEU 274 HB3 -0.05 0.09 0.07 -0.04 1.64 1.71 2z5hG1 LEU 274 HG -0.04 -0.01 0.05 -0.04 1.64 1.60 2z5hG1 LEU 274 HD13 -0.04 -0.01 0.00 -0.04 0.93 0.84 2z5hG1 LEU 274 HD23 -0.02 -0.02 0.04 -0.04 0.89 0.85 2z5hG1 ASP 275 H -0.05 0.45 -0.15 -0.55 8.40 8.11 2z5hG1 ASP 275 HA -0.07 -0.01 0.33 -0.75 4.63 4.13 2z5hG1 ASP 275 HB2 -0.09 0.05 0.17 -0.04 2.71 2.80 2z5hG1 ASP 275 HB3 -0.23 0.08 0.20 -0.04 2.70 2.71 2z5hG1 HIS 276 H -0.04 0.62 -0.08 -0.55 8.41 8.36 2z5hG1 HIS 276 HA -0.01 0.00 0.43 -0.75 4.63 4.30 2z5hG1 HIS 276 HB2 -0.02 0.12 0.13 -0.04 3.26 3.46 2z5hG1 HIS 276 HB3 -0.01 -0.04 0.02 -0.04 3.20 3.13 2z5hG1 HIS 276 HD2 -0.02 0.03 -0.31 -0.04 6.97 6.63 2z5hG1 HIS 276 HE1 -0.01 -0.02 -0.02 -0.04 7.75 7.66 2z5hG1 ALA 277 H 0.05 0.49 -0.24 -0.55 8.40 8.16 2z5hG1 ALA 277 HA 0.03 0.00 0.42 -0.75 4.34 4.03 2z5hG1 ALA 277 HB3 0.01 0.01 0.14 -0.04 1.41 1.53 2z5hG1 LEU 278 H -0.01 0.55 -0.11 -0.55 8.37 8.25 2z5hG1 LEU 278 HA -0.01 0.02 0.43 -0.75 4.35 4.03 2z5hG1 LEU 278 HB2 -0.03 0.09 0.16 -0.04 1.64 1.82 2z5hG1 LEU 278 HB3 -0.02 -0.05 0.06 -0.04 1.64 1.59 2z5hG1 LEU 278 HG -0.02 0.15 0.07 -0.04 1.64 1.80 2z5hG1 LEU 278 HD13 -0.02 -0.03 -0.03 -0.04 0.93 0.80 2z5hG1 LEU 278 HD23 -0.01 -0.02 -0.01 -0.04 0.89 0.81 2z5hG1 ASN 279 H -0.02 0.49 -0.13 -0.55 8.53 8.33 2z5hG1 ASN 279 HA -0.01 0.03 0.46 -0.75 4.76 4.49 2z5hG1 ASN 279 HB2 -0.06 0.15 0.15 -0.04 2.88 3.08 2z5hG1 ASN 279 HB3 0.00 0.01 0.07 -0.04 2.79 2.83 2z5hG1 ASN 279 HD21 -0.03 -0.05 0.01 -0.04 7.03 6.92 2z5hG1 ASN 279 HD22 -0.07 -0.00 -0.00 -0.04 7.74 7.62 2z5hG1 ASP 280 H 0.02 0.34 -0.36 -0.55 8.40 7.85 2z5hG1 ASP 280 HA 0.02 0.08 0.53 -0.75 4.63 4.50 2z5hG1 ASP 280 HB2 0.03 0.14 0.08 -0.04 2.71 2.92 2z5hG1 ASP 280 HB3 0.02 -0.11 0.04 -0.04 2.70 2.61 2z5hG1 MET 281 H 0.01 0.23 -0.36 -0.55 8.47 7.80 2z5hG1 MET 281 HA 0.00 -0.05 0.55 -0.75 4.52 4.27 2z5hG1 MET 281 HB2 0.00 0.15 0.19 -0.04 2.15 2.45 2z5hG1 MET 281 HB3 -0.00 0.06 0.11 -0.04 2.03 2.15 2z5hG1 MET 281 HG2 -0.00 -0.01 -0.08 -0.04 2.63 2.50 2z5hG1 MET 281 HG3 0.00 -0.08 0.05 -0.04 2.56 2.50 2z5hG1 MET 281 HE3 -0.00 0.00 -0.03 -0.04 2.10 2.02 2z5hG1 THR 282 H 0.00 0.06 -0.00 -0.55 8.28 7.79 2z5hG1 THR 282 HA 0.00 0.16 0.83 -0.75 4.39 4.63 2z5hG1 THR 282 HB 0.00 0.18 -0.26 -0.04 4.32 4.20 2z5hG1 THR 282 HG23 0.00 0.07 0.01 -0.04 1.22 1.27 2z5hG1 SER 283 H 0.00 0.18 0.12 -0.55 8.46 8.21 2z5hG1 SER 283 HA 0.00 0.06 0.17 -0.75 4.49 3.96 2z5hG1 SER 283 HB2 0.00 0.01 0.08 -0.04 3.95 4.00 2z5hG1 SER 283 HB3 0.00 0.01 0.18 -0.04 3.93 4.07 2z5hG1 ILE 284 H -0.00 0.18 0.18 -0.55 8.25 8.06 2z5hG1 ILE 284 HA -0.00 0.05 0.22 -0.75 4.18 3.70 2z5hG1 ILE 284 HB -0.00 -0.05 -0.21 -0.04 1.89 1.59 2z5hG1 ILE 284 HG12 -0.00 0.00 0.02 -0.04 1.49 1.46 2z5hG1 ILE 284 HG13 -0.00 0.01 0.06 -0.04 1.21 1.23 2z5hG1 ILE 284 HG23 -0.00 0.06 0.03 -0.04 0.93 0.98 2z5hG1 ILE 284 HD13 -0.00 0.00 0.02 -0.04 0.88 0.86