============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 7 rings ring int. center anis. iso. HIS 11 0.900 172.913 53.131 148.138 -99.200 -91.000 HIS 25 0.900 163.232 43.682 132.203 -99.200 -91.000 PHE 28 1.000 168.683 38.454 127.890 -99.200 -91.000 TYR 47 0.840 147.728 31.493 103.205 -99.200 -91.000 HIS 51 0.900 147.262 29.083 99.641 -99.200 -91.000 TYR 55 0.840 147.784 28.778 94.042 -99.200 -91.000 TYR 69 0.840 143.490 14.570 78.264 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3hd7B1 LYS 189 HA 0.00 -0.00 0.21 -0.75 4.32 3.77 3hd7B1 LYS 189 HB2 0.00 0.03 0.03 -0.04 1.87 1.89 3hd7B1 LYS 189 HB3 0.00 0.05 0.07 -0.04 1.79 1.86 3hd7B1 LYS 189 HG2 0.00 -0.03 0.05 -0.04 1.46 1.44 3hd7B1 LYS 189 HG3 0.00 -0.00 -0.16 -0.04 1.46 1.25 3hd7B1 LYS 189 HD2 0.00 0.02 -0.03 -0.04 1.69 1.64 3hd7B1 LYS 189 HD3 0.00 0.03 0.01 -0.04 1.68 1.67 3hd7B1 LYS 189 HE2 0.00 -0.00 0.00 -0.04 2.99 2.95 3hd7B1 LYS 189 HE3 0.00 -0.01 -0.03 -0.04 2.99 2.91 3hd7B1 GLN 190 H 0.00 0.24 0.14 -0.55 8.47 8.31 3hd7B1 GLN 190 HA 0.00 0.15 0.69 -0.75 4.36 4.45 3hd7B1 GLN 190 HB2 0.00 0.06 0.10 -0.04 2.15 2.27 3hd7B1 GLN 190 HB3 0.00 -0.00 0.18 -0.04 2.02 2.15 3hd7B1 GLN 190 HG2 0.00 0.04 -0.02 -0.04 2.40 2.38 3hd7B1 GLN 190 HG3 0.00 -0.01 -0.32 -0.04 2.39 2.01 3hd7B1 GLN 190 HE21 0.00 0.03 -0.02 -0.04 6.97 6.94 3hd7B1 GLN 190 HE22 0.00 0.01 -0.06 -0.04 7.69 7.60 3hd7B1 ALA 191 H 0.00 0.19 0.09 -0.55 8.40 8.13 3hd7B1 ALA 191 HA 0.00 0.10 0.41 -0.75 4.34 4.10 3hd7B1 ALA 191 HB3 0.00 0.04 0.07 -0.04 1.41 1.48 3hd7B1 LEU 192 H 0.00 0.12 -0.53 -0.55 8.37 7.42 3hd7B1 LEU 192 HA 0.00 0.08 0.50 -0.75 4.35 4.18 3hd7B1 LEU 192 HB2 0.00 0.02 0.03 -0.04 1.64 1.65 3hd7B1 LEU 192 HB3 0.00 0.15 -0.01 -0.04 1.64 1.74 3hd7B1 LEU 192 HG -0.00 -0.02 0.05 -0.04 1.64 1.62 3hd7B1 LEU 192 HD13 -0.00 0.02 0.00 -0.04 0.93 0.91 3hd7B1 LEU 192 HD23 0.01 -0.02 -0.07 -0.04 0.89 0.76 3hd7B1 SER 193 H 0.01 0.34 -0.25 -0.55 8.46 8.01 3hd7B1 SER 193 HA 0.01 0.04 0.42 -0.75 4.49 4.21 3hd7B1 SER 193 HB2 0.01 0.11 0.19 -0.04 3.95 4.21 3hd7B1 SER 193 HB3 0.01 0.10 0.17 -0.04 3.93 4.16 3hd7B1 GLU 194 H 0.01 0.31 -0.41 -0.55 8.60 7.96 3hd7B1 GLU 194 HA 0.01 0.14 0.69 -0.75 4.29 4.38 3hd7B1 GLU 194 HB2 0.01 -0.02 0.11 -0.04 2.09 2.14 3hd7B1 GLU 194 HB3 0.01 0.02 0.04 -0.04 1.99 2.02 3hd7B1 GLU 194 HG2 0.01 0.03 0.14 -0.04 2.34 2.48 3hd7B1 GLU 194 HG3 0.01 0.04 -0.11 -0.04 2.34 2.23 3hd7B1 ILE 195 H 0.01 0.28 -0.31 -0.55 8.25 7.68 3hd7B1 ILE 195 HA 0.02 0.11 0.84 -0.75 4.18 4.40 3hd7B1 ILE 195 HB 0.01 0.09 0.26 -0.04 1.89 2.21 3hd7B1 ILE 195 HG12 0.01 -0.04 0.06 -0.04 1.49 1.47 3hd7B1 ILE 195 HG13 0.01 0.24 0.08 -0.04 1.21 1.49 3hd7B1 ILE 195 HG23 0.01 -0.01 -0.13 -0.04 0.93 0.75 3hd7B1 ILE 195 HD13 -0.01 -0.02 -0.01 -0.04 0.88 0.81 3hd7B1 GLU 196 H 0.03 0.67 0.13 -0.55 8.60 8.88 3hd7B1 GLU 196 HA 0.11 0.01 0.44 -0.75 4.29 4.10 3hd7B1 GLU 196 HB2 0.04 0.04 0.14 -0.04 2.09 2.26 3hd7B1 GLU 196 HB3 0.03 0.09 0.06 -0.04 1.99 2.12 3hd7B1 GLU 196 HG2 0.04 -0.00 0.00 -0.04 2.34 2.33 3hd7B1 GLU 196 HG3 0.08 -0.03 0.09 -0.04 2.34 2.43 3hd7B1 THR 197 H 0.03 0.08 -0.85 -0.55 8.28 6.99 3hd7B1 THR 197 HA 0.01 0.12 0.59 -0.75 4.39 4.36 3hd7B1 THR 197 HB 0.01 0.08 0.03 -0.04 4.32 4.40 3hd7B1 THR 197 HG23 0.00 -0.01 -0.03 -0.04 1.22 1.14 3hd7B1 ARG 198 H 0.03 0.27 -0.12 -0.55 8.46 8.09 3hd7B1 ARG 198 HA 0.02 0.06 0.58 -0.75 4.34 4.24 3hd7B1 ARG 198 HB2 0.04 0.07 0.32 -0.04 1.90 2.29 3hd7B1 ARG 198 HB3 0.04 -0.03 0.02 -0.04 1.80 1.79 3hd7B1 ARG 198 HG2 0.01 -0.03 0.08 -0.04 1.67 1.69 3hd7B1 ARG 198 HG3 0.02 0.16 0.15 -0.04 1.67 1.95 3hd7B1 ARG 198 HD2 0.02 -0.01 0.07 -0.04 3.22 3.25 3hd7B1 ARG 198 HD3 0.01 -0.03 0.03 -0.04 3.22 3.20 3hd7B1 HIS 199 H 0.13 0.69 0.10 -0.55 8.41 8.78 3hd7B1 HIS 199 HA -0.00 -0.00 0.37 -0.75 4.63 4.24 3hd7B1 HIS 199 HB2 -0.00 -0.00 0.08 -0.04 3.26 3.30 3hd7B1 HIS 199 HB3 -0.00 0.05 0.08 -0.04 3.20 3.29 3hd7B1 HIS 199 HD2 -0.00 0.02 -0.06 -0.04 6.97 6.88 3hd7B1 HIS 199 HE1 -0.00 -0.00 -0.02 -0.04 7.75 7.68 3hd7B1 SER 200 H -0.00 0.31 -0.55 -0.55 8.46 7.67 3hd7B1 SER 200 HA -0.24 0.00 0.41 -0.75 4.49 3.91 3hd7B1 SER 200 HB2 -0.04 0.13 0.19 -0.04 3.95 4.19 3hd7B1 SER 200 HB3 -0.03 0.11 0.16 -0.04 3.93 4.12 3hd7B1 GLU 201 H -0.03 0.45 -0.20 -0.55 8.60 8.28 3hd7B1 GLU 201 HA -0.03 0.04 0.66 -0.75 4.29 4.20 3hd7B1 GLU 201 HB2 -0.01 0.15 0.23 -0.04 2.09 2.42 3hd7B1 GLU 201 HB3 -0.01 -0.06 0.02 -0.04 1.99 1.90 3hd7B1 GLU 201 HG2 -0.02 -0.04 0.03 -0.04 2.34 2.27 3hd7B1 GLU 201 HG3 -0.01 0.10 0.06 -0.04 2.34 2.45 3hd7B1 ILE 202 H -0.02 0.85 0.07 -0.55 8.25 8.61 3hd7B1 ILE 202 HA -0.00 0.02 0.44 -0.75 4.18 3.89 3hd7B1 ILE 202 HB 0.04 0.08 0.08 -0.04 1.89 2.05 3hd7B1 ILE 202 HG12 0.01 -0.02 0.05 -0.04 1.49 1.49 3hd7B1 ILE 202 HG13 0.02 0.04 -0.00 -0.04 1.21 1.23 3hd7B1 ILE 202 HG23 0.03 -0.01 -0.12 -0.04 0.93 0.79 3hd7B1 ILE 202 HD13 0.03 -0.01 -0.04 -0.04 0.88 0.82 3hd7B1 ILE 203 H -0.09 0.42 -0.42 -0.55 8.25 7.60 3hd7B1 ILE 203 HA -0.03 0.04 0.77 -0.75 4.18 4.20 3hd7B1 ILE 203 HB -0.16 0.20 0.13 -0.04 1.89 2.02 3hd7B1 ILE 203 HG12 -0.02 -0.06 0.03 -0.04 1.49 1.40 3hd7B1 ILE 203 HG13 -0.13 0.10 0.01 -0.04 1.21 1.15 3hd7B1 ILE 203 HG23 -0.05 -0.02 -0.08 -0.04 0.93 0.74 3hd7B1 ILE 203 HD13 -0.08 -0.01 0.00 -0.04 0.88 0.75 3hd7B1 LYS 204 H -0.05 0.37 -0.01 -0.55 8.42 8.17 3hd7B1 LYS 204 HA -0.02 -0.00 0.48 -0.75 4.32 4.02 3hd7B1 LYS 204 HB2 -0.02 0.14 0.24 -0.04 1.87 2.18 3hd7B1 LYS 204 HB3 -0.01 -0.04 0.07 -0.04 1.79 1.77 3hd7B1 LYS 204 HG2 -0.03 -0.06 0.09 -0.04 1.46 1.43 3hd7B1 LYS 204 HG3 -0.04 0.29 0.20 -0.04 1.46 1.86 3hd7B1 LYS 204 HD2 -0.02 -0.03 0.03 -0.04 1.69 1.62 3hd7B1 LYS 204 HD3 -0.02 -0.03 0.03 -0.04 1.68 1.62 3hd7B1 LYS 204 HE2 -0.02 -0.03 0.00 -0.04 2.99 2.90 3hd7B1 LYS 204 HE3 -0.03 0.05 -0.09 -0.04 2.99 2.88 3hd7B1 LEU 205 H -0.02 0.38 -0.53 -0.55 8.37 7.66 3hd7B1 LEU 205 HA -0.00 0.07 0.53 -0.75 4.35 4.19 3hd7B1 LEU 205 HB2 -0.01 0.05 0.08 -0.04 1.64 1.72 3hd7B1 LEU 205 HB3 -0.01 0.18 0.12 -0.04 1.64 1.90 3hd7B1 LEU 205 HG -0.00 -0.05 -0.10 -0.04 1.64 1.45 3hd7B1 LEU 205 HD13 0.00 -0.00 0.00 -0.04 0.93 0.89 3hd7B1 LEU 205 HD23 -0.00 -0.00 -0.01 -0.04 0.89 0.83 3hd7B1 GLU 206 H -0.01 0.35 -0.02 -0.55 8.60 8.37 3hd7B1 GLU 206 HA -0.01 0.02 0.46 -0.75 4.29 4.01 3hd7B1 GLU 206 HB2 -0.01 0.08 0.21 -0.04 2.09 2.33 3hd7B1 GLU 206 HB3 -0.01 0.06 0.27 -0.04 1.99 2.27 3hd7B1 GLU 206 HG2 -0.01 -0.04 -0.21 -0.04 2.34 2.04 3hd7B1 GLU 206 HG3 -0.02 -0.03 0.06 -0.04 2.34 2.31 3hd7B1 ASN 207 H -0.01 0.73 0.03 -0.55 8.53 8.73 3hd7B1 ASN 207 HA 0.00 -0.02 0.42 -0.75 4.76 4.41 3hd7B1 ASN 207 HB2 -0.01 0.12 0.09 -0.04 2.88 3.04 3hd7B1 ASN 207 HB3 0.00 -0.02 0.04 -0.04 2.79 2.77 3hd7B1 ASN 207 HD21 -0.01 -0.02 -0.00 -0.04 7.03 6.96 3hd7B1 ASN 207 HD22 -0.01 0.01 -0.01 -0.04 7.74 7.70 3hd7B1 SER 208 H 0.00 0.32 -0.65 -0.55 8.46 7.59 3hd7B1 SER 208 HA 0.02 0.04 0.66 -0.75 4.49 4.46 3hd7B1 SER 208 HB2 0.01 0.16 0.15 -0.04 3.95 4.23 3hd7B1 SER 208 HB3 0.01 0.11 0.11 -0.04 3.93 4.12 3hd7B1 ILE 209 H 0.01 0.46 -0.14 -0.55 8.25 8.03 3hd7B1 ILE 209 HA 0.03 0.08 0.71 -0.75 4.18 4.25 3hd7B1 ILE 209 HB -0.00 0.12 0.27 -0.04 1.89 2.24 3hd7B1 ILE 209 HG12 0.01 -0.05 0.03 -0.04 1.49 1.44 3hd7B1 ILE 209 HG13 0.00 0.21 0.02 -0.04 1.21 1.40 3hd7B1 ILE 209 HG23 -0.01 -0.02 -0.13 -0.04 0.93 0.73 3hd7B1 ILE 209 HD13 -0.01 -0.02 -0.03 -0.04 0.88 0.77 3hd7B1 ARG 210 H 0.02 0.59 0.11 -0.55 8.46 8.62 3hd7B1 ARG 210 HA 0.06 0.03 0.53 -0.75 4.34 4.20 3hd7B1 ARG 210 HB2 0.02 0.11 0.14 -0.04 1.90 2.13 3hd7B1 ARG 210 HB3 0.05 -0.02 -0.01 -0.04 1.80 1.78 3hd7B1 ARG 210 HG2 -0.04 -0.02 0.06 -0.04 1.67 1.63 3hd7B1 ARG 210 HG3 -0.02 0.05 0.05 -0.04 1.67 1.71 3hd7B1 ARG 210 HD2 0.00 0.02 0.00 -0.04 3.22 3.20 3hd7B1 ARG 210 HD3 0.01 -0.01 0.01 -0.04 3.22 3.19 3hd7B1 GLU 211 H 0.04 0.35 -0.36 -0.55 8.60 8.08 3hd7B1 GLU 211 HA 0.05 0.01 0.42 -0.75 4.29 4.02 3hd7B1 GLU 211 HB2 0.03 0.09 0.16 -0.04 2.09 2.32 3hd7B1 GLU 211 HB3 0.04 0.21 0.10 -0.04 1.99 2.30 3hd7B1 GLU 211 HG2 0.04 -0.02 -0.17 -0.04 2.34 2.15 3hd7B1 GLU 211 HG3 0.03 -0.05 0.06 -0.04 2.34 2.34 3hd7B1 LEU 212 H 0.08 0.31 -0.38 -0.55 8.37 7.84 3hd7B1 LEU 212 HA 0.14 0.02 0.51 -0.75 4.35 4.27 3hd7B1 LEU 212 HB2 0.09 0.08 0.17 -0.04 1.64 1.95 3hd7B1 LEU 212 HB3 0.09 0.13 0.15 -0.04 1.64 1.97 3hd7B1 LEU 212 HG 0.31 -0.05 0.01 -0.04 1.64 1.87 3hd7B1 LEU 212 HD13 0.24 -0.01 0.06 -0.04 0.93 1.18 3hd7B1 LEU 212 HD23 0.07 -0.00 0.01 -0.04 0.89 0.93 3hd7B1 HIS 213 H 0.18 0.40 -0.27 -0.55 8.41 8.18 3hd7B1 HIS 213 HA 0.07 0.04 0.50 -0.75 4.63 4.48 3hd7B1 HIS 213 HB2 0.01 0.03 0.13 -0.04 3.26 3.40 3hd7B1 HIS 213 HB3 0.03 0.18 0.28 -0.04 3.20 3.65 3hd7B1 HIS 213 HD2 -0.01 0.01 0.04 -0.04 6.97 6.96 3hd7B1 HIS 213 HE1 0.02 -0.00 -0.03 -0.04 7.75 7.69 3hd7B1 ASP 214 H 0.11 0.60 -0.04 -0.55 8.40 8.53 3hd7B1 ASP 214 HA -0.09 -0.01 0.51 -0.75 4.63 4.29 3hd7B1 ASP 214 HB2 0.03 0.14 0.13 -0.04 2.71 2.97 3hd7B1 ASP 214 HB3 0.01 -0.05 0.07 -0.04 2.70 2.69 3hd7B1 MET 215 H 0.06 0.46 -0.16 -0.55 8.47 8.29 3hd7B1 MET 215 HA -0.05 0.01 0.43 -0.75 4.52 4.16 3hd7B1 MET 215 HB2 0.06 0.16 0.10 -0.04 2.15 2.43 3hd7B1 MET 215 HB3 -0.11 -0.04 0.07 -0.04 2.03 1.91 3hd7B1 MET 215 HG2 0.05 0.54 0.26 -0.04 2.63 3.44 3hd7B1 MET 215 HG3 0.03 -0.05 0.03 -0.04 2.56 2.54 3hd7B1 MET 215 HE3 -0.04 -0.01 0.02 -0.04 2.10 2.04 3hd7B1 PHE 216 H 0.20 0.32 -0.55 -0.55 8.34 7.75 3hd7B1 PHE 216 HA -0.04 0.08 0.69 -0.75 4.62 4.59 3hd7B1 PHE 216 HB2 -0.06 0.16 0.20 -0.04 3.15 3.41 3hd7B1 PHE 216 HB3 -0.05 -0.06 0.04 -0.04 3.06 2.95 3hd7B1 PHE 216 HD2 -0.01 0.26 0.09 -0.04 7.28 7.59 3hd7B1 PHE 216 HE2 0.00 -0.02 0.01 -0.04 7.38 7.33 3hd7B1 PHE 216 HZ 0.00 -0.02 -0.00 -0.04 7.32 7.26 3hd7B1 MET 217 H -0.07 0.47 0.11 -0.55 8.47 8.43 3hd7B1 MET 217 HA -0.05 0.06 0.62 -0.75 4.52 4.39 3hd7B1 MET 217 HB2 -0.17 -0.02 0.25 -0.04 2.15 2.17 3hd7B1 MET 217 HB3 -0.09 -0.03 0.02 -0.04 2.03 1.88 3hd7B1 MET 217 HG2 -0.90 0.21 0.03 -0.04 2.63 1.93 3hd7B1 MET 217 HG3 -0.36 -0.04 -0.01 -0.04 2.56 2.12 3hd7B1 MET 217 HE3 0.14 -0.00 -0.00 -0.04 2.10 2.19 3hd7B1 ASP 218 H -0.05 0.89 0.15 -0.55 8.40 8.84 3hd7B1 ASP 218 HA -0.03 0.01 0.46 -0.75 4.63 4.32 3hd7B1 ASP 218 HB2 -0.04 0.12 0.05 -0.04 2.71 2.80 3hd7B1 ASP 218 HB3 -0.03 -0.05 0.07 -0.04 2.70 2.65 3hd7B1 MET 219 H -0.06 0.22 -0.71 -0.55 8.47 7.37 3hd7B1 MET 219 HA -0.06 0.03 0.52 -0.75 4.52 4.25 3hd7B1 MET 219 HB2 -0.17 0.38 0.25 -0.04 2.15 2.57 3hd7B1 MET 219 HB3 -0.08 0.13 0.19 -0.04 2.03 2.23 3hd7B1 MET 219 HG2 -0.18 0.01 0.04 -0.04 2.63 2.46 3hd7B1 MET 219 HG3 -0.07 -0.05 -0.12 -0.04 2.56 2.28 3hd7B1 MET 219 HE3 -0.12 0.01 0.04 -0.04 2.10 1.98 3hd7B1 ALA 220 H -0.01 0.50 -0.03 -0.55 8.40 8.31 3hd7B1 ALA 220 HA -0.00 0.00 0.41 -0.75 4.34 3.99 3hd7B1 ALA 220 HB3 0.01 0.03 0.14 -0.04 1.41 1.55 3hd7B1 MET 221 H -0.02 0.25 -0.69 -0.55 8.47 7.47 3hd7B1 MET 221 HA -0.01 0.06 0.55 -0.75 4.52 4.37 3hd7B1 MET 221 HB2 -0.01 0.06 0.08 -0.04 2.15 2.24 3hd7B1 MET 221 HB3 -0.02 0.12 0.18 -0.04 2.03 2.27 3hd7B1 MET 221 HG2 -0.01 -0.02 -0.18 -0.04 2.63 2.38 3hd7B1 MET 221 HG3 -0.01 -0.03 0.03 -0.04 2.56 2.51 3hd7B1 MET 221 HE3 -0.01 -0.00 -0.05 -0.04 2.10 2.01 3hd7B1 LEU 222 H -0.02 0.59 0.06 -0.55 8.37 8.45 3hd7B1 LEU 222 HA -0.01 0.02 0.52 -0.75 4.35 4.12 3hd7B1 LEU 222 HB2 -0.03 0.17 0.25 -0.04 1.64 1.99 3hd7B1 LEU 222 HB3 -0.02 -0.04 0.02 -0.04 1.64 1.56 3hd7B1 LEU 222 HG -0.02 -0.05 0.07 -0.04 1.64 1.61 3hd7B1 LEU 222 HD13 -0.02 0.05 0.05 -0.04 0.93 0.98 3hd7B1 LEU 222 HD23 -0.02 -0.00 0.02 -0.04 0.89 0.85 3hd7B1 VAL 223 H -0.02 0.56 -0.12 -0.55 8.24 8.12 3hd7B1 VAL 223 HA -0.01 0.04 0.45 -0.75 4.13 3.85 3hd7B1 VAL 223 HB -0.01 0.08 0.08 -0.04 2.12 2.24 3hd7B1 VAL 223 HG13 -0.00 -0.01 -0.12 -0.04 0.97 0.80 3hd7B1 VAL 223 HG23 -0.02 0.01 0.02 -0.04 0.95 0.92 3hd7B1 GLU 224 H -0.01 0.36 -0.36 -0.55 8.60 8.04 3hd7B1 GLU 224 HA -0.00 0.05 0.62 -0.75 4.29 4.21 3hd7B1 GLU 224 HB2 -0.00 0.13 0.18 -0.04 2.09 2.36 3hd7B1 GLU 224 HB3 -0.00 0.10 0.16 -0.04 1.99 2.21 3hd7B1 GLU 224 HG2 -0.00 -0.05 -0.04 -0.04 2.34 2.21 3hd7B1 GLU 224 HG3 -0.00 -0.04 0.09 -0.04 2.34 2.35 3hd7B1 SER 225 H -0.01 0.44 -0.17 -0.55 8.46 8.17 3hd7B1 SER 225 HA -0.01 0.03 0.52 -0.75 4.49 4.28 3hd7B1 SER 225 HB2 -0.01 0.02 0.14 -0.04 3.95 4.06 3hd7B1 SER 225 HB3 -0.01 0.10 0.25 -0.04 3.93 4.23 3hd7B1 GLN 226 H -0.01 0.52 -0.14 -0.55 8.47 8.29 3hd7B1 GLN 226 HA -0.01 0.04 0.60 -0.75 4.36 4.25 3hd7B1 GLN 226 HB2 -0.01 0.10 0.08 -0.04 2.15 2.28 3hd7B1 GLN 226 HB3 -0.01 -0.06 0.08 -0.04 2.02 1.99 3hd7B1 GLN 226 HG2 -0.01 -0.06 0.03 -0.04 2.40 2.32 3hd7B1 GLN 226 HG3 -0.01 0.26 0.10 -0.04 2.39 2.70 3hd7B1 GLN 226 HE21 -0.01 -0.01 -0.02 -0.04 6.97 6.89 3hd7B1 GLN 226 HE22 -0.01 -0.01 -0.00 -0.04 7.69 7.62 3hd7B1 GLY 227 H -0.00 0.26 -0.62 -0.55 8.43 7.52 3hd7B1 GLY 227 HA2 -0.00 0.03 0.34 -0.51 4.01 3.88 3hd7B1 GLY 227 HA3 -0.00 0.13 0.33 -0.51 4.01 3.96 3hd7B1 GLU 228 H -0.01 0.32 -0.27 -0.55 8.60 8.10 3hd7B1 GLU 228 HA -0.01 0.10 0.66 -0.75 4.29 4.29 3hd7B1 GLU 228 HB2 -0.01 0.09 0.09 -0.04 2.09 2.21 3hd7B1 GLU 228 HB3 -0.02 -0.02 0.07 -0.04 1.99 1.98 3hd7B1 GLU 228 HG2 -0.01 -0.01 0.02 -0.04 2.34 2.29 3hd7B1 GLU 228 HG3 -0.01 0.11 0.07 -0.04 2.34 2.47 3hd7B1 MET 229 H -0.01 0.27 -0.14 -0.55 8.47 8.05 3hd7B1 MET 229 HA -0.01 0.03 0.50 -0.75 4.52 4.29 3hd7B1 MET 229 HB2 -0.01 0.03 0.16 -0.04 2.15 2.30 3hd7B1 MET 229 HB3 -0.00 0.18 0.14 -0.04 2.03 2.31 3hd7B1 MET 229 HG2 0.00 -0.02 -0.04 -0.04 2.63 2.53 3hd7B1 MET 229 HG3 -0.00 -0.03 0.11 -0.04 2.56 2.59 3hd7B1 MET 229 HE3 -0.01 0.01 0.03 -0.04 2.10 2.09 3hd7B1 ILE 230 H 0.00 0.27 -0.62 -0.55 8.25 7.35 3hd7B1 ILE 230 HA 0.01 0.07 0.62 -0.75 4.18 4.13 3hd7B1 ILE 230 HB 0.01 0.23 0.10 -0.04 1.89 2.18 3hd7B1 ILE 230 HG12 0.00 -0.06 -0.01 -0.04 1.49 1.38 3hd7B1 ILE 230 HG13 0.00 0.38 0.04 -0.04 1.21 1.59 3hd7B1 ILE 230 HG23 0.01 -0.02 -0.03 -0.04 0.93 0.84 3hd7B1 ILE 230 HD13 0.00 -0.01 -0.03 -0.04 0.88 0.80 3hd7B1 ASP 231 H 0.01 0.27 -0.17 -0.55 8.40 7.96 3hd7B1 ASP 231 HA 0.04 0.05 0.50 -0.75 4.63 4.45 3hd7B1 ASP 231 HB2 -0.00 0.15 0.23 -0.04 2.71 3.04 3hd7B1 ASP 231 HB3 0.02 -0.04 0.10 -0.04 2.70 2.73 3hd7B1 ARG 232 H 0.01 0.36 -0.23 -0.55 8.46 8.05 3hd7B1 ARG 232 HA 0.03 0.06 0.55 -0.75 4.34 4.22 3hd7B1 ARG 232 HB2 -0.00 0.11 0.10 -0.04 1.90 2.07 3hd7B1 ARG 232 HB3 0.00 -0.01 -0.01 -0.04 1.80 1.74 3hd7B1 ARG 232 HG2 -0.10 -0.02 0.03 -0.04 1.67 1.54 3hd7B1 ARG 232 HG3 -0.04 0.09 0.04 -0.04 1.67 1.72 3hd7B1 ARG 232 HD2 -0.05 -0.02 0.01 -0.04 3.22 3.13 3hd7B1 ARG 232 HD3 -0.05 0.00 -0.00 -0.04 3.22 3.13 3hd7B1 ILE 233 H 0.03 0.34 -0.19 -0.55 8.25 7.87 3hd7B1 ILE 233 HA 0.03 0.03 0.49 -0.75 4.18 3.97 3hd7B1 ILE 233 HB 0.02 0.10 0.21 -0.04 1.89 2.18 3hd7B1 ILE 233 HG12 0.01 -0.06 0.08 -0.04 1.49 1.48 3hd7B1 ILE 233 HG13 0.01 0.34 0.21 -0.04 1.21 1.73 3hd7B1 ILE 233 HG23 0.01 -0.01 -0.12 -0.04 0.93 0.77 3hd7B1 ILE 233 HD13 0.01 -0.02 0.03 -0.04 0.88 0.85 3hd7B1 GLU 234 H 0.04 0.67 -0.12 -0.55 8.60 8.64 3hd7B1 GLU 234 HA 0.02 0.00 0.41 -0.75 4.29 3.97 3hd7B1 GLU 234 HB2 0.03 0.10 0.15 -0.04 2.09 2.33 3hd7B1 GLU 234 HB3 0.06 0.08 0.14 -0.04 1.99 2.23 3hd7B1 GLU 234 HG2 0.02 -0.05 -0.05 -0.04 2.34 2.22 3hd7B1 GLU 234 HG3 0.01 -0.02 0.05 -0.04 2.34 2.34 3hd7B1 TYR 235 H 0.16 0.62 -0.17 -0.55 8.29 8.35 3hd7B1 TYR 235 HA 0.05 -0.01 0.43 -0.75 4.56 4.28 3hd7B1 TYR 235 HB2 -0.01 0.14 0.21 -0.04 3.06 3.36 3hd7B1 TYR 235 HB3 -0.03 0.02 0.28 -0.04 2.98 3.21 3hd7B1 TYR 235 HD2 -0.07 0.02 -0.04 -0.04 7.15 7.01 3hd7B1 TYR 235 HE2 -0.17 -0.00 -0.02 -0.04 6.85 6.61 3hd7B1 ASN 236 H 0.17 0.83 0.05 -0.55 8.53 9.03 3hd7B1 ASN 236 HA -0.02 -0.03 0.36 -0.75 4.76 4.31 3hd7B1 ASN 236 HB2 0.05 0.11 0.14 -0.04 2.88 3.14 3hd7B1 ASN 236 HB3 0.04 -0.07 0.09 -0.04 2.79 2.81 3hd7B1 ASN 236 HD21 0.04 -0.05 0.00 -0.04 7.03 6.98 3hd7B1 ASN 236 HD22 0.04 -0.01 -0.01 -0.04 7.74 7.71 3hd7B1 VAL 237 H 0.01 0.52 -0.40 -0.55 8.24 7.83 3hd7B1 VAL 237 HA -0.01 0.03 0.71 -0.75 4.13 4.11 3hd7B1 VAL 237 HB -0.00 0.12 0.17 -0.04 2.12 2.37 3hd7B1 VAL 237 HG13 -0.01 -0.02 -0.09 -0.04 0.97 0.80 3hd7B1 VAL 237 HG23 0.01 0.03 0.03 -0.04 0.95 0.98 3hd7B1 GLU 238 H -0.04 0.82 0.15 -0.55 8.60 8.99 3hd7B1 GLU 238 HA -0.09 -0.01 0.47 -0.75 4.29 3.91 3hd7B1 GLU 238 HB2 -0.09 -0.07 0.15 -0.04 2.09 2.05 3hd7B1 GLU 238 HB3 -0.05 0.10 0.18 -0.04 1.99 2.19 3hd7B1 GLU 238 HG2 -0.11 0.24 0.17 -0.04 2.34 2.60 3hd7B1 GLU 238 HG3 -0.20 -0.07 -0.22 -0.04 2.34 1.81 3hd7B1 HIS 239 H -0.08 0.42 -0.42 -0.55 8.41 7.77 3hd7B1 HIS 239 HA -0.47 0.07 0.75 -0.75 4.63 4.22 3hd7B1 HIS 239 HB2 -0.34 0.11 0.12 -0.04 3.26 3.12 3hd7B1 HIS 239 HB3 -0.59 -0.04 -0.02 -0.04 3.20 2.51 3hd7B1 HIS 239 HD2 -0.83 0.17 -0.04 -0.04 6.97 6.22 3hd7B1 HIS 239 HE1 -0.03 -0.01 -0.01 -0.04 7.75 7.66 3hd7B1 ALA 240 H -0.10 0.62 0.07 -0.55 8.40 8.44 3hd7B1 ALA 240 HA 0.00 -0.04 0.45 -0.75 4.34 4.00 3hd7B1 ALA 240 HB3 0.01 0.03 0.21 -0.04 1.41 1.62 3hd7B1 VAL 241 H -0.10 0.67 -0.27 -0.55 8.24 7.98 3hd7B1 VAL 241 HA -0.03 0.02 0.50 -0.75 4.13 3.87 3hd7B1 VAL 241 HB -0.09 0.08 0.07 -0.04 2.12 2.14 3hd7B1 VAL 241 HG13 -0.04 -0.02 -0.08 -0.04 0.97 0.79 3hd7B1 VAL 241 HG23 -0.04 0.09 0.01 -0.04 0.95 0.97 3hd7B1 ASP 242 H -0.21 0.33 -0.24 -0.55 8.40 7.73 3hd7B1 ASP 242 HA -0.09 -0.00 0.46 -0.75 4.63 4.25 3hd7B1 ASP 242 HB2 -0.27 0.14 0.26 -0.04 2.71 2.79 3hd7B1 ASP 242 HB3 -0.45 0.11 0.28 -0.04 2.70 2.60 3hd7B1 TYR 243 H -0.28 0.73 -0.04 -0.55 8.29 8.15 3hd7B1 TYR 243 HA -0.01 -0.02 0.36 -0.75 4.56 4.13 3hd7B1 TYR 243 HB2 0.00 0.09 0.15 -0.04 3.06 3.27 3hd7B1 TYR 243 HB3 0.01 -0.05 0.02 -0.04 2.98 2.92 3hd7B1 TYR 243 HD2 0.01 -0.03 -0.03 -0.04 7.15 7.06 3hd7B1 TYR 243 HE2 0.05 -0.01 -0.02 -0.04 6.85 6.82 3hd7B1 VAL 244 H 0.09 0.56 -0.09 -0.55 8.24 8.25 3hd7B1 VAL 244 HA 0.06 -0.03 0.40 -0.75 4.13 3.80 3hd7B1 VAL 244 HB 0.02 0.11 0.18 -0.04 2.12 2.39 3hd7B1 VAL 244 HG13 0.01 -0.02 -0.09 -0.04 0.97 0.84 3hd7B1 VAL 244 HG23 0.05 0.02 0.09 -0.04 0.95 1.07 3hd7B1 GLU 245 H 0.01 0.64 -0.21 -0.55 8.60 8.49 3hd7B1 GLU 245 HA 0.00 -0.02 0.42 -0.75 4.29 3.93 3hd7B1 GLU 245 HB2 -0.02 0.15 0.16 -0.04 2.09 2.35 3hd7B1 GLU 245 HB3 -0.01 0.08 0.16 -0.04 1.99 2.18 3hd7B1 GLU 245 HG2 -0.01 -0.04 -0.03 -0.04 2.34 2.22 3hd7B1 GLU 245 HG3 -0.01 -0.04 0.06 -0.04 2.34 2.31 3hd7B1 ARG 246 H 0.04 0.60 -0.05 -0.55 8.46 8.49 3hd7B1 ARG 246 HA 0.02 0.01 0.57 -0.75 4.34 4.18 3hd7B1 ARG 246 HB2 0.06 0.10 0.22 -0.04 1.90 2.24 3hd7B1 ARG 246 HB3 0.03 -0.08 0.07 -0.04 1.80 1.78 3hd7B1 ARG 246 HG2 0.02 -0.06 0.05 -0.04 1.67 1.65 3hd7B1 ARG 246 HG3 0.05 0.33 0.09 -0.04 1.67 2.09 3hd7B1 ARG 246 HD2 0.04 -0.04 0.01 -0.04 3.22 3.19 3hd7B1 ARG 246 HD3 0.04 -0.02 -0.02 -0.04 3.22 3.19 3hd7B1 ALA 247 H 0.04 0.78 0.10 -0.55 8.40 8.77 3hd7B1 ALA 247 HA 0.02 -0.06 0.35 -0.75 4.34 3.89 3hd7B1 ALA 247 HB3 0.02 0.01 0.11 -0.04 1.41 1.51 3hd7B1 VAL 248 H 0.01 0.52 -0.42 -0.55 8.24 7.80 3hd7B1 VAL 248 HA 0.00 0.00 0.47 -0.75 4.13 3.86 3hd7B1 VAL 248 HB 0.01 0.09 0.11 -0.04 2.12 2.28 3hd7B1 VAL 248 HG13 -0.00 0.08 0.06 -0.04 0.97 1.06 3hd7B1 VAL 248 HG23 -0.00 -0.03 0.01 -0.04 0.95 0.89 3hd7B1 SER 249 H 0.00 0.49 -0.05 -0.55 8.46 8.35 3hd7B1 SER 249 HA -0.01 0.03 0.50 -0.75 4.49 4.26 3hd7B1 SER 249 HB2 -0.01 -0.06 0.11 -0.04 3.95 3.95 3hd7B1 SER 249 HB3 -0.00 0.13 0.21 -0.04 3.93 4.23 3hd7B1 ASP 250 H 0.01 0.49 -0.04 -0.55 8.40 8.31 3hd7B1 ASP 250 HA 0.01 0.00 0.44 -0.75 4.63 4.33 3hd7B1 ASP 250 HB2 0.01 0.17 0.15 -0.04 2.71 3.00 3hd7B1 ASP 250 HB3 0.02 -0.03 0.00 -0.04 2.70 2.65 3hd7B1 THR 251 H 0.00 0.49 -0.12 -0.55 8.28 8.10 3hd7B1 THR 251 HA 0.00 -0.03 0.42 -0.75 4.39 4.03 3hd7B1 THR 251 HB -0.00 -0.05 0.07 -0.04 4.32 4.29 3hd7B1 THR 251 HG23 0.00 0.09 0.12 -0.04 1.22 1.40 3hd7B1 LYS 252 H -0.02 0.42 -0.32 -0.55 8.42 7.94 3hd7B1 LYS 252 HA -0.04 -0.02 0.40 -0.75 4.32 3.90 3hd7B1 LYS 252 HB2 -0.03 0.05 0.18 -0.04 1.87 2.03 3hd7B1 LYS 252 HB3 -0.04 0.23 0.23 -0.04 1.79 2.16 3hd7B1 LYS 252 HG2 -0.06 -0.04 -0.08 -0.04 1.46 1.24 3hd7B1 LYS 252 HG3 -0.04 -0.04 0.08 -0.04 1.46 1.42 3hd7B1 LYS 252 HD2 -0.02 0.01 0.03 -0.04 1.69 1.66 3hd7B1 LYS 252 HD3 -0.03 0.00 0.02 -0.04 1.68 1.63 3hd7B1 LYS 252 HE2 -0.04 -0.02 -0.00 -0.04 2.99 2.89 3hd7B1 LYS 252 HE3 -0.03 -0.01 0.01 -0.04 2.99 2.92 3hd7B1 LYS 253 H -0.07 0.52 -0.14 -0.55 8.42 8.18 3hd7B1 LYS 253 HA -0.32 0.01 0.60 -0.75 4.32 3.86 3hd7B1 LYS 253 HB2 -0.04 0.16 0.27 -0.04 1.87 2.22 3hd7B1 LYS 253 HB3 -0.27 -0.09 0.06 -0.04 1.79 1.45 3hd7B1 LYS 253 HG2 -0.13 -0.05 0.04 -0.04 1.46 1.28 3hd7B1 LYS 253 HG3 -0.07 0.12 0.03 -0.04 1.46 1.49 3hd7B1 LYS 253 HD2 0.02 -0.03 -0.05 -0.04 1.69 1.59 3hd7B1 LYS 253 HD3 0.06 -0.03 0.00 -0.04 1.68 1.67 3hd7B1 LYS 253 HE2 0.01 -0.01 -0.02 -0.04 2.99 2.92 3hd7B1 LYS 253 HE3 -0.01 0.02 -0.07 -0.04 2.99 2.88 3hd7B1 ALA 254 H -0.03 0.82 0.15 -0.55 8.40 8.80 3hd7B1 ALA 254 HA 0.12 -0.05 0.41 -0.75 4.34 4.07 3hd7B1 ALA 254 HB3 0.03 0.03 0.11 -0.04 1.41 1.54 3hd7B1 VAL 255 H -0.05 0.58 -0.27 -0.55 8.24 7.95 3hd7B1 VAL 255 HA -0.01 0.02 0.52 -0.75 4.13 3.91 3hd7B1 VAL 255 HB -0.02 -0.06 0.08 -0.04 2.12 2.09 3hd7B1 VAL 255 HG13 -0.02 0.14 0.05 -0.04 0.97 1.11 3hd7B1 VAL 255 HG23 -0.05 0.09 -0.06 -0.04 0.95 0.90 3hd7B1 LYS 256 H -0.16 0.38 -0.20 -0.55 8.42 7.88 3hd7B1 LYS 256 HA -0.08 0.03 0.52 -0.75 4.32 4.04 3hd7B1 LYS 256 HB2 -0.17 0.06 0.20 -0.04 1.87 1.91 3hd7B1 LYS 256 HB3 -0.43 0.14 0.34 -0.04 1.79 1.80 3hd7B1 LYS 256 HG2 -0.14 -0.05 -0.31 -0.04 1.46 0.92 3hd7B1 LYS 256 HG3 -0.09 -0.03 0.03 -0.04 1.46 1.33 3hd7B1 LYS 256 HD2 -0.17 0.02 0.03 -0.04 1.69 1.53 3hd7B1 LYS 256 HD3 -0.45 -0.01 0.03 -0.04 1.68 1.21 3hd7B1 LYS 256 HE2 0.01 -0.03 -0.04 -0.04 2.99 2.90 3hd7B1 LYS 256 HE3 -0.03 -0.00 -0.01 -0.04 2.99 2.91 3hd7B1 TYR 257 H -0.31 0.67 0.08 -0.55 8.29 8.18 3hd7B1 TYR 257 HA -0.00 0.01 0.47 -0.75 4.56 4.29 3hd7B1 TYR 257 HB2 -0.00 0.09 0.12 -0.04 3.06 3.23 3hd7B1 TYR 257 HB3 -0.00 -0.04 0.04 -0.04 2.98 2.93 3hd7B1 TYR 257 HD2 -0.00 -0.02 -0.05 -0.04 7.15 7.04 3hd7B1 TYR 257 HE2 -0.00 -0.01 -0.03 -0.04 6.85 6.77 3hd7B1 GLN 258 H 0.09 0.59 -0.13 -0.55 8.47 8.48 3hd7B1 GLN 258 HA 0.06 -0.02 0.46 -0.75 4.36 4.10 3hd7B1 GLN 258 HB2 0.04 0.03 0.16 -0.04 2.15 2.34 3hd7B1 GLN 258 HB3 0.02 0.12 0.20 -0.04 2.02 2.32 3hd7B1 GLN 258 HG2 0.02 0.01 -0.31 -0.04 2.40 2.08 3hd7B1 GLN 258 HG3 0.02 -0.07 0.01 -0.04 2.39 2.32 3hd7B1 GLN 258 HE21 0.01 -0.01 -0.01 -0.04 6.97 6.91 3hd7B1 GLN 258 HE22 0.01 -0.01 -0.05 -0.04 7.69 7.60 3hd7B1 SER 259 H 0.02 0.52 -0.29 -0.55 8.46 8.16 3hd7B1 SER 259 HA 0.01 -0.01 0.44 -0.75 4.49 4.18 3hd7B1 SER 259 HB2 0.00 -0.08 0.13 -0.04 3.95 3.96 3hd7B1 SER 259 HB3 -0.00 0.07 0.17 -0.04 3.93 4.12 3hd7B1 LYS 260 H 0.05 0.40 -0.30 -0.55 8.42 8.02 3hd7B1 LYS 260 HA 0.03 0.04 0.68 -0.75 4.32 4.32 3hd7B1 LYS 260 HB2 0.11 0.17 0.34 -0.04 1.87 2.45 3hd7B1 LYS 260 HB3 0.06 -0.07 0.04 -0.04 1.79 1.78 3hd7B1 LYS 260 HG2 0.05 -0.05 0.05 -0.04 1.46 1.48 3hd7B1 LYS 260 HG3 0.05 0.12 0.04 -0.04 1.46 1.63 3hd7B1 LYS 260 HD2 0.25 -0.02 -0.09 -0.04 1.69 1.79 3hd7B1 LYS 260 HD3 0.16 -0.03 0.03 -0.04 1.68 1.80 3hd7B1 LYS 260 HE2 0.07 -0.01 -0.00 -0.04 2.99 3.00 3hd7B1 LYS 260 HE3 0.06 0.01 -0.02 -0.04 2.99 3.00 3hd7B1 ALA 261 H 0.06 0.80 0.19 -0.55 8.40 8.89 3hd7B1 ALA 261 HA 0.02 -0.04 0.43 -0.75 4.34 3.99 3hd7B1 ALA 261 HB3 0.03 0.02 0.12 -0.04 1.41 1.53 3hd7B1 ARG 262 H 0.02 0.48 -0.44 -0.55 8.46 7.97 3hd7B1 ARG 262 HA 0.01 0.01 0.47 -0.75 4.34 4.08 3hd7B1 ARG 262 HB2 0.01 0.23 0.13 -0.04 1.90 2.24 3hd7B1 ARG 262 HB3 0.01 0.08 0.06 -0.04 1.80 1.91 3hd7B1 ARG 262 HG2 0.01 -0.02 -0.04 -0.04 1.67 1.58 3hd7B1 ARG 262 HG3 0.01 -0.04 0.06 -0.04 1.67 1.65 3hd7B1 ARG 262 HD2 0.01 0.02 -0.02 -0.04 3.22 3.18 3hd7B1 ARG 262 HD3 0.01 -0.03 -0.01 -0.04 3.22 3.15 3hd7B1 ARG 263 H 0.02 0.43 -0.18 -0.55 8.46 8.18 3hd7B1 ARG 263 HA 0.01 0.02 0.45 -0.75 4.34 4.07 3hd7B1 ARG 263 HB2 0.01 0.14 0.23 -0.04 1.90 2.24 3hd7B1 ARG 263 HB3 0.01 -0.09 0.08 -0.04 1.80 1.76 3hd7B1 ARG 263 HG2 0.01 -0.08 0.11 -0.04 1.67 1.66 3hd7B1 ARG 263 HG3 0.01 0.50 0.30 -0.04 1.67 2.44 3hd7B1 ARG 263 HD2 0.01 -0.04 0.08 -0.04 3.22 3.24 3hd7B1 ARG 263 HD3 0.01 -0.06 0.06 -0.04 3.22 3.18 3hd7B1 LYS 264 H 0.01 0.46 -0.14 -0.55 8.42 8.19 3hd7B1 LYS 264 HA 0.01 0.00 0.48 -0.75 4.32 4.06 3hd7B1 LYS 264 HB2 0.01 0.10 0.15 -0.04 1.87 2.09 3hd7B1 LYS 264 HB3 0.01 -0.03 0.02 -0.04 1.79 1.74 3hd7B1 LYS 264 HG2 0.01 -0.02 0.02 -0.04 1.46 1.43 3hd7B1 LYS 264 HG3 0.01 -0.01 0.01 -0.04 1.46 1.43 3hd7B1 LYS 264 HD2 0.02 0.03 -0.18 -0.04 1.69 1.52 3hd7B1 LYS 264 HD3 0.01 -0.02 -0.03 -0.04 1.68 1.60 3hd7B1 LYS 264 HE2 0.01 -0.01 -0.02 -0.04 2.99 2.93 3hd7B1 LYS 264 HE3 0.02 0.02 -0.03 -0.04 2.99 2.96 3hd7B1 LYS 265 H 0.01 0.61 -0.08 -0.55 8.42 8.41 3hd7B1 LYS 265 HA 0.00 -0.03 0.42 -0.75 4.32 3.96 3hd7B1 LYS 265 HB2 0.01 0.11 0.19 -0.04 1.87 2.14 3hd7B1 LYS 265 HB3 0.01 0.15 0.10 -0.04 1.79 2.00 3hd7B1 LYS 265 HG2 0.00 -0.03 -0.01 -0.04 1.46 1.39 3hd7B1 LYS 265 HG3 0.00 -0.05 0.10 -0.04 1.46 1.47 3hd7B1 LYS 265 HD2 0.01 0.02 0.02 -0.04 1.69 1.70 3hd7B1 LYS 265 HD3 0.00 0.02 0.01 -0.04 1.68 1.67 3hd7B1 LYS 265 HE2 0.00 -0.01 0.01 -0.04 2.99 2.95 3hd7B1 LYS 265 HE3 0.00 -0.02 0.02 -0.04 2.99 2.95 3hd7B1 ILE 266 H 0.01 0.32 -0.64 -0.55 8.25 7.38 3hd7B1 ILE 266 HA 0.00 0.04 0.58 -0.75 4.18 4.05 3hd7B1 ILE 266 HB 0.00 0.21 0.20 -0.04 1.89 2.27 3hd7B1 ILE 266 HG12 0.00 -0.08 -0.03 -0.04 1.49 1.35 3hd7B1 ILE 266 HG13 0.01 0.36 0.13 -0.04 1.21 1.66 3hd7B1 ILE 266 HG23 0.00 -0.03 -0.06 -0.04 0.93 0.80 3hd7B1 ILE 266 HD13 0.00 -0.02 0.01 -0.04 0.88 0.82 3hd7B1 MET 267 H 0.00 0.51 0.15 -0.55 8.47 8.58 3hd7B1 MET 267 HA 0.00 0.00 0.46 -0.75 4.52 4.23 3hd7B1 MET 267 HB2 0.00 0.09 0.26 -0.04 2.15 2.46 3hd7B1 MET 267 HB3 0.00 -0.04 0.03 -0.04 2.03 1.98 3hd7B1 MET 267 HG2 0.00 0.09 0.13 -0.04 2.63 2.82 3hd7B1 MET 267 HG3 0.01 -0.04 0.02 -0.04 2.56 2.51 3hd7B1 MET 267 HE3 0.00 -0.00 0.00 -0.04 2.10 2.07 3hd7B1 ILE 268 H 0.00 0.76 -0.09 -0.55 8.25 8.37 3hd7B1 ILE 268 HA 0.00 -0.01 0.39 -0.75 4.18 3.81 3hd7B1 ILE 268 HB 0.00 0.12 0.12 -0.04 1.89 2.09 3hd7B1 ILE 268 HG12 0.00 -0.04 0.02 -0.04 1.49 1.43 3hd7B1 ILE 268 HG13 0.00 0.03 0.03 -0.04 1.21 1.23 3hd7B1 ILE 268 HG23 0.00 -0.01 -0.12 -0.04 0.93 0.76 3hd7B1 ILE 268 HD13 0.00 -0.01 -0.06 -0.04 0.88 0.77 3hd7B1 ILE 269 H 0.00 0.49 -0.07 -0.55 8.25 8.12 3hd7B1 ILE 269 HA 0.00 -0.05 0.44 -0.75 4.18 3.82 3hd7B1 ILE 269 HB 0.00 0.15 0.22 -0.04 1.89 2.22 3hd7B1 ILE 269 HG12 0.00 -0.08 0.10 -0.04 1.49 1.47 3hd7B1 ILE 269 HG13 0.00 0.18 0.20 -0.04 1.21 1.55 3hd7B1 ILE 269 HG23 0.00 -0.02 -0.10 -0.04 0.93 0.77 3hd7B1 ILE 269 HD13 0.00 -0.02 0.04 -0.04 0.88 0.87 3hd7B1 ILE 270 H 0.00 0.69 -0.16 -0.55 8.25 8.23 3hd7B1 ILE 270 HA 0.00 -0.04 0.44 -0.75 4.18 3.83 3hd7B1 ILE 270 HB 0.00 0.26 0.22 -0.04 1.89 2.33 3hd7B1 ILE 270 HG12 0.00 -0.08 0.05 -0.04 1.49 1.42 3hd7B1 ILE 270 HG13 0.00 0.22 0.10 -0.04 1.21 1.50 3hd7B1 ILE 270 HG23 0.00 -0.03 -0.08 -0.04 0.93 0.78 3hd7B1 ILE 270 HD13 0.00 -0.04 -0.07 -0.04 0.88 0.73 3hd7B1 CYS 271 H 0.00 0.61 -0.10 -0.55 8.50 8.46 3hd7B1 CYS 271 HA 0.00 0.00 0.51 -0.75 4.58 4.35 3hd7B1 CYS 271 HB2 0.00 0.21 0.24 -0.04 2.97 3.38 3hd7B1 CYS 271 HB3 0.00 -0.09 0.04 -0.04 2.97 2.88 3hd7B1 CYS 272 H 0.00 0.57 0.00 -0.55 8.50 8.53 3hd7B1 CYS 272 HA 0.00 -0.01 0.56 -0.75 4.58 4.38 3hd7B1 CYS 272 HB2 0.00 0.11 0.17 -0.04 2.97 3.21 3hd7B1 CYS 272 HB3 0.00 -0.05 0.07 -0.04 2.97 2.95 3hd7B1 VAL 273 H 0.00 0.82 0.04 -0.55 8.24 8.55 3hd7B1 VAL 273 HA 0.00 -0.01 0.56 -0.75 4.13 3.94 3hd7B1 VAL 273 HB 0.00 0.19 0.19 -0.04 2.12 2.46 3hd7B1 VAL 273 HG13 0.00 -0.02 -0.13 -0.04 0.97 0.79 3hd7B1 VAL 273 HG23 0.00 0.00 0.04 -0.04 0.95 0.95 3hd7B1 ILE 274 H 0.00 0.39 -0.38 -0.55 8.25 7.71 3hd7B1 ILE 274 HA 0.00 0.03 0.49 -0.75 4.18 3.94 3hd7B1 ILE 274 HB 0.00 0.25 0.27 -0.04 1.89 2.37 3hd7B1 ILE 274 HG12 0.00 -0.07 0.05 -0.04 1.49 1.44 3hd7B1 ILE 274 HG13 0.00 0.27 0.13 -0.04 1.21 1.57 3hd7B1 ILE 274 HG23 0.00 -0.03 -0.08 -0.04 0.93 0.78 3hd7B1 ILE 274 HD13 0.00 -0.03 -0.00 -0.04 0.88 0.80 3hd7B1 LEU 275 H 0.00 0.41 -0.05 -0.55 8.37 8.19 3hd7B1 LEU 275 HA 0.00 0.04 0.59 -0.75 4.35 4.23 3hd7B1 LEU 275 HB2 0.00 0.07 0.24 -0.04 1.64 1.90 3hd7B1 LEU 275 HB3 0.00 -0.05 0.05 -0.04 1.64 1.59 3hd7B1 LEU 275 HG 0.00 0.22 0.06 -0.04 1.64 1.88 3hd7B1 LEU 275 HD13 -0.00 -0.02 -0.00 -0.04 0.93 0.87 3hd7B1 LEU 275 HD23 0.00 -0.01 0.00 -0.04 0.89 0.84 3hd7B1 GLY 276 H 0.00 0.82 0.06 -0.55 8.43 8.77 3hd7B1 GLY 276 HA2 0.00 -0.02 0.48 -0.51 4.01 3.96 3hd7B1 GLY 276 HA3 0.00 0.09 0.33 -0.51 4.01 3.91 3hd7B1 ILE 277 H 0.00 0.46 -0.40 -0.55 8.25 7.77 3hd7B1 ILE 277 HA 0.00 0.01 0.43 -0.75 4.18 3.86 3hd7B1 ILE 277 HB 0.00 0.15 0.19 -0.04 1.89 2.18 3hd7B1 ILE 277 HG12 0.00 -0.07 0.03 -0.04 1.49 1.41 3hd7B1 ILE 277 HG13 0.00 0.08 0.09 -0.04 1.21 1.34 3hd7B1 ILE 277 HG23 0.00 -0.02 -0.14 -0.04 0.93 0.73 3hd7B1 ILE 277 HD13 0.00 -0.03 -0.05 -0.04 0.88 0.75 3hd7B1 ILE 278 H 0.00 0.42 -0.15 -0.55 8.25 7.97 3hd7B1 ILE 278 HA 0.00 0.05 0.53 -0.75 4.18 4.01 3hd7B1 ILE 278 HB 0.00 0.06 0.30 -0.04 1.89 2.20 3hd7B1 ILE 278 HG12 0.00 -0.04 0.05 -0.04 1.49 1.46 3hd7B1 ILE 278 HG13 0.00 0.28 0.13 -0.04 1.21 1.58 3hd7B1 ILE 278 HG23 0.00 -0.02 -0.12 -0.04 0.93 0.75 3hd7B1 ILE 278 HD13 0.00 -0.03 -0.00 -0.04 0.88 0.81 3hd7B1 ILE 279 H 0.00 0.88 0.12 -0.55 8.25 8.70 3hd7B1 ILE 279 HA 0.00 -0.01 0.45 -0.75 4.18 3.87 3hd7B1 ILE 279 HB 0.00 0.10 0.18 -0.04 1.89 2.12 3hd7B1 ILE 279 HG12 -0.00 -0.04 0.06 -0.04 1.49 1.47 3hd7B1 ILE 279 HG13 -0.00 0.08 0.07 -0.04 1.21 1.32 3hd7B1 ILE 279 HG23 -0.00 -0.01 -0.12 -0.04 0.93 0.76 3hd7B1 ILE 279 HD13 -0.00 -0.02 -0.02 -0.04 0.88 0.80 3hd7B1 ALA 280 H 0.00 0.69 -0.24 -0.55 8.40 8.31 3hd7B1 ALA 280 HA 0.00 -0.01 0.51 -0.75 4.34 4.09 3hd7B1 ALA 280 HB3 0.00 0.01 0.10 -0.04 1.41 1.48 3hd7B1 SER 281 H 0.00 0.36 -0.58 -0.55 8.46 7.70 3hd7B1 SER 281 HA 0.00 0.06 0.57 -0.75 4.49 4.36 3hd7B1 SER 281 HB2 0.00 0.42 0.30 -0.04 3.95 4.63 3hd7B1 SER 281 HB3 0.00 -0.05 0.06 -0.04 3.93 3.90 3hd7B1 THR 282 H 0.00 0.29 -0.27 -0.55 8.28 7.75 3hd7B1 THR 282 HA 0.00 0.19 0.89 -0.75 4.39 4.72 3hd7B1 THR 282 HB -0.00 -0.03 0.03 -0.04 4.32 4.28 3hd7B1 THR 282 HG23 0.00 0.06 -0.03 -0.04 1.22 1.21 3hd7B1 ILE 283 H 0.00 0.56 0.17 -0.55 8.25 8.42 3hd7B1 ILE 283 HA -0.00 0.07 0.38 -0.75 4.18 3.88 3hd7B1 ILE 283 HB 0.00 0.04 0.11 -0.04 1.89 2.01 3hd7B1 ILE 283 HG12 -0.00 -0.01 0.06 -0.04 1.49 1.49 3hd7B1 ILE 283 HG13 -0.00 0.10 0.13 -0.04 1.21 1.40 3hd7B1 ILE 283 HG23 -0.00 -0.00 -0.03 -0.04 0.93 0.86 3hd7B1 ILE 283 HD13 -0.00 -0.02 0.00 -0.04 0.88 0.82 3hd7B1 GLY 284 H 0.00 0.17 -0.76 -0.55 8.43 7.30 3hd7B1 GLY 284 HA2 0.00 0.02 0.51 -0.51 4.01 4.03 3hd7B1 GLY 284 HA3 0.00 0.15 0.28 -0.51 4.01 3.93 3hd7B1 GLY 285 H 0.00 0.71 -0.76 -0.55 8.43 7.83 3hd7B1 GLY 285 HA2 0.00 0.11 0.79 -0.51 4.01 4.41 3hd7B1 GLY 285 HA3 0.00 0.02 0.37 -0.51 4.01 3.88 3hd7B1 ILE 286 H 0.00 0.21 -0.38 -0.55 8.25 7.53 3hd7B1 ILE 286 HA -0.00 0.02 0.15 -0.75 4.18 3.60 3hd7B1 ILE 286 HB -0.00 0.27 0.09 -0.04 1.89 2.21 3hd7B1 ILE 286 HG12 -0.00 -0.01 -0.06 -0.04 1.49 1.38 3hd7B1 ILE 286 HG13 0.00 -0.04 -0.38 -0.04 1.21 0.75 3hd7B1 ILE 286 HG23 -0.00 -0.02 0.04 -0.04 0.93 0.91 3hd7B1 ILE 286 HD13 -0.00 -0.01 -0.05 -0.04 0.88 0.78