============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. PHE 2 1.000 65.380 76.958-142.988 -99.200 -91.000 PHE 36 1.000 81.864 83.063-153.983 -99.200 -91.000 HIS 57 0.900 86.464 83.222-135.021 -99.200 -91.000 PHE 80 1.000 95.183 74.469-141.624 -99.200 -91.000 HIS 81 0.900 97.812 69.564-137.046 -99.200 -91.000 PHE 83 1.000 93.641 66.706-139.287 -99.200 -91.000 PHE 91 1.000 94.721 82.136-145.618 -99.200 -91.000 TRP 99 1.040 93.770 88.320-150.624 -99.200 -91.000 TRP6 99 1.020 94.113 86.258-149.529 -99.200 -91.000 HIS 100 0.900 97.418 95.558-150.733 -99.200 -91.000 PHE 106 1.000 95.975 89.018-129.562 -99.200 -91.000 HIS 108 0.900 105.402 93.132-128.804 -99.200 -91.000 TYR 113 0.840 101.187 88.924-145.321 -99.200 -91.000 PHE 122 1.000 98.193 82.317-150.563 -99.200 -91.000 HIS 125 0.900 95.907 71.462-147.838 -99.200 -91.000 TYR 139 0.840 103.634 90.422-137.053 -99.200 -91.000 TRP 145 1.040 94.500 98.308-148.707 -99.200 -91.000 TRP6 145 1.020 95.747 98.564-150.704 -99.200 -91.000 HIS 151 0.900 103.393 87.918-160.959 -99.200 -91.000 TRP 159 1.040 82.054 87.406-159.539 -99.200 -91.000 TRP6 159 1.020 79.854 87.107-158.748 -99.200 -91.000 TYR 164 0.840 91.989 78.253-150.175 -99.200 -91.000 HIS 172 0.900 91.699 67.565-147.392 -99.200 -91.000 TYR 178 0.840 78.506 72.922-160.468 -99.200 -91.000 PHE 182 1.000 64.224 72.512-163.504 -99.200 -91.000 PHE 188 1.000 76.351 84.655-156.593 -99.200 -91.000 PHE 189 1.000 72.160 87.617-149.694 -99.200 -91.000 TYR 199 0.840 88.918 96.840-156.577 -99.200 -91.000 TYR 209 0.840 69.911 85.516-144.223 -99.200 -91.000 HIS 212 0.900 68.200 82.527-137.575 -99.200 -91.000 HIS 228 0.900 56.066 85.034-150.332 -99.200 -91.000 TYR 229 0.840 64.389 91.663-150.357 -99.200 -91.000 PHE 241 1.000 64.367 86.745-154.152 -99.200 -91.000 TYR 244 0.840 67.368 75.258-155.035 -99.200 -91.000 PHE 248 1.000 72.194 76.401-154.086 -99.200 -91.000 PHE 269 1.000 65.911 87.053-149.553 -99.200 -91.000 PHE 271 1.000 59.838 77.752-144.439 -99.200 -91.000 TRP 274 1.040 60.392 73.143-145.224 -99.200 -91.000 TRP6 274 1.020 62.612 73.691-145.813 -99.200 -91.000 PHE 278 1.000 61.901 68.084-160.106 -99.200 -91.000 TYR 279 0.840 56.873 77.193-156.224 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3d26B1 PRO 230 HA 0.14 -0.15 0.23 -0.51 4.44 4.15 3d26B1 PRO 230 HB2 0.12 0.07 -0.02 -0.04 2.28 2.40 3d26B1 PRO 230 HB3 0.12 -0.07 0.04 -0.04 2.02 2.07 3d26B1 PRO 230 HG2 0.05 0.02 0.06 -0.04 2.03 2.11 3d26B1 PRO 230 HG3 0.06 -0.05 0.03 -0.04 2.03 2.02 3d26B1 PRO 230 HD2 0.03 -0.01 0.01 -0.04 3.68 3.67 3d26B1 PRO 230 HD3 0.05 -0.04 0.03 -0.04 3.65 3.65 3d26B1 PHE 231 H 0.23 0.06 0.03 -0.55 8.34 8.10 3d26B1 PHE 231 HA -0.09 0.02 0.30 -0.75 4.62 4.10 3d26B1 PHE 231 HB2 0.07 0.04 0.05 -0.04 3.15 3.27 3d26B1 PHE 231 HB3 -0.99 -0.07 -0.07 -0.04 3.06 1.89 3d26B1 PHE 231 HD2 -0.72 -0.04 -0.12 -0.04 7.28 6.35 3d26B1 PHE 231 HE2 -0.14 0.11 -0.03 -0.04 7.38 7.29 3d26B1 PHE 231 HZ -0.04 -0.04 -0.04 -0.04 7.32 7.16 3d26B1 THR 232 H -0.87 0.25 0.19 -0.55 8.28 7.30 3d26B1 THR 232 HA -0.31 0.08 0.68 -0.75 4.39 4.08 3d26B1 THR 232 HB -0.12 0.00 0.10 -0.04 4.32 4.26 3d26B1 THR 232 HG23 -0.04 0.08 -0.14 -0.04 1.22 1.08 3d26B1 LEU 233 H -0.27 0.23 0.18 -0.55 8.37 7.96 3d26B1 LEU 233 HA -0.65 0.19 0.77 -0.75 4.35 3.91 3d26B1 LEU 233 HB2 -0.19 0.02 -0.04 -0.04 1.64 1.39 3d26B1 LEU 233 HB3 -0.52 0.06 0.03 -0.04 1.64 1.17 3d26B1 LEU 233 HG -0.27 -0.10 -0.35 -0.04 1.64 0.88 3d26B1 LEU 233 HD13 0.03 -0.02 -0.20 -0.04 0.93 0.70 3d26B1 LEU 233 HD23 -0.33 0.06 -0.01 -0.04 0.89 0.57 3d26B1 PRO 234 HA -0.48 0.02 0.42 -0.51 4.44 3.89 3d26B1 PRO 234 HB2 -0.13 -0.01 0.02 -0.04 2.28 2.11 3d26B1 PRO 234 HB3 -0.19 0.04 -0.02 -0.04 2.02 1.81 3d26B1 PRO 234 HG2 -0.28 -0.02 -0.18 -0.04 2.03 1.52 3d26B1 PRO 234 HG3 -0.69 0.08 0.01 -0.04 2.03 1.40 3d26B1 PRO 234 HD2 -1.78 0.07 0.16 -0.04 3.68 2.09 3d26B1 PRO 234 HD3 -1.02 0.16 0.19 -0.04 3.65 2.95 3d26B1 ASN 235 H -0.13 0.13 0.12 -0.55 8.53 8.10 3d26B1 ASN 235 HA -0.05 0.15 0.59 -0.75 4.76 4.69 3d26B1 ASN 235 HB2 -0.06 0.05 0.13 -0.04 2.88 2.97 3d26B1 ASN 235 HB3 -0.04 -0.04 0.22 -0.04 2.79 2.89 3d26B1 ASN 235 HD21 -0.02 -0.02 0.01 -0.04 7.03 6.96 3d26B1 ASN 235 HD22 -0.02 -0.01 0.06 -0.04 7.74 7.72 3d26B1 LEU 236 H 0.00 0.57 -0.24 -0.55 8.37 8.16 3d26B1 LEU 236 HA -0.00 0.16 0.71 -0.75 4.35 4.47 3d26B1 LEU 236 HB2 0.05 -0.04 -0.17 -0.04 1.64 1.44 3d26B1 LEU 236 HB3 0.03 0.08 -0.10 -0.04 1.64 1.60 3d26B1 LEU 236 HG -0.02 -0.11 -0.55 -0.04 1.64 0.91 3d26B1 LEU 236 HD13 0.01 -0.00 -0.12 -0.04 0.93 0.78 3d26B1 LEU 236 HD23 0.00 0.03 -0.03 -0.04 0.89 0.85 3d26B1 PRO 237 HA 0.01 0.30 0.29 -0.51 4.44 4.52 3d26B1 PRO 237 HB2 0.01 -0.11 0.02 -0.04 2.28 2.16 3d26B1 PRO 237 HB3 -0.01 0.12 0.00 -0.04 2.02 2.09 3d26B1 PRO 237 HG2 -0.00 0.02 0.05 -0.04 2.03 2.06 3d26B1 PRO 237 HG3 -0.02 0.07 0.01 -0.04 2.03 2.05 3d26B1 PRO 237 HD2 0.01 0.08 0.14 -0.04 3.68 3.87 3d26B1 PRO 237 HD3 -0.00 0.17 0.18 -0.04 3.65 3.95 3d26B1 LEU 238 H 0.10 0.58 0.30 -0.55 8.37 8.80 3d26B1 LEU 238 HA 0.08 -0.02 0.37 -0.75 4.35 4.03 3d26B1 LEU 238 HB2 0.18 0.23 0.25 -0.04 1.64 2.26 3d26B1 LEU 238 HB3 0.18 -0.03 -0.02 -0.04 1.64 1.73 3d26B1 LEU 238 HG 0.29 -0.06 0.04 -0.04 1.64 1.88 3d26B1 LEU 238 HD13 0.29 0.06 0.06 -0.04 0.93 1.30 3d26B1 LEU 238 HD23 0.26 -0.01 -0.07 -0.04 0.89 1.03 3d26B1 SER 239 H 0.06 0.15 -0.23 -0.55 8.46 7.90 3d26B1 SER 239 HA 0.05 0.24 0.39 -0.75 4.49 4.41 3d26B1 SER 239 HB2 0.03 0.02 0.03 -0.04 3.95 3.99 3d26B1 SER 239 HB3 0.05 -0.07 -0.18 -0.04 3.93 3.69 3d26B1 SER 240 H 0.03 0.55 -0.37 -0.55 8.46 8.12 3d26B1 SER 240 HA 0.02 0.19 0.93 -0.75 4.49 4.87 3d26B1 SER 240 HB2 0.01 -0.05 0.16 -0.04 3.95 4.03 3d26B1 SER 240 HB3 0.01 -0.08 0.01 -0.04 3.93 3.84 3d26B1 LEU 241 H 0.03 0.50 -0.22 -0.55 8.37 8.13 3d26B1 LEU 241 HA 0.01 0.13 0.88 -0.75 4.35 4.62 3d26B1 LEU 241 HB2 -0.03 0.14 0.08 -0.04 1.64 1.78 3d26B1 LEU 241 HB3 -0.03 -0.26 0.16 -0.04 1.64 1.47 3d26B1 LEU 241 HG 0.04 0.23 -0.22 -0.04 1.64 1.65 3d26B1 LEU 241 HD13 0.06 -0.02 -0.09 -0.04 0.93 0.84 3d26B1 LEU 241 HD23 0.05 -0.01 -0.22 -0.04 0.89 0.67 3d26B1 SER 242 H -0.02 -0.06 0.20 -0.55 8.46 8.04 3d26B1 SER 242 HA -0.01 0.31 1.04 -0.75 4.49 5.09 3d26B1 SER 242 HB2 -0.00 0.02 -0.06 -0.04 3.95 3.87 3d26B1 SER 242 HB3 -0.01 -0.18 0.10 -0.04 3.93 3.80 3d26B1 ASN 243 H -0.02 0.62 0.31 -0.55 8.53 8.90 3d26B1 ASN 243 HA -0.02 0.06 0.50 -0.75 4.76 4.55 3d26B1 ASN 243 HB2 -0.01 0.17 0.05 -0.04 2.88 3.04 3d26B1 ASN 243 HB3 -0.04 0.15 0.17 -0.04 2.79 3.03 3d26B1 ASN 243 HD21 -0.07 0.26 -0.14 -0.04 7.03 7.04 3d26B1 ASN 243 HD22 -0.02 -0.05 -0.08 -0.04 7.74 7.55 3d26B1 SER 244 H -0.02 0.18 0.12 -0.55 8.46 8.19 3d26B1 SER 244 HA -0.02 0.19 0.87 -0.75 4.49 4.78 3d26B1 SER 244 HB2 0.02 -0.11 0.15 -0.04 3.95 3.97 3d26B1 SER 244 HB3 -0.01 0.10 -0.08 -0.04 3.93 3.90 3d26B1 ARG 245 H -0.07 0.04 -0.09 -0.55 8.46 7.78 3d26B1 ARG 245 HA -0.08 0.17 0.86 -0.75 4.34 4.54 3d26B1 ARG 245 HB2 -0.19 0.05 -0.06 -0.04 1.90 1.66 3d26B1 ARG 245 HB3 -0.20 -0.03 0.06 -0.04 1.80 1.59 3d26B1 ARG 245 HG2 -0.10 -0.03 -0.06 -0.04 1.67 1.43 3d26B1 ARG 245 HG3 -0.10 -0.15 -0.28 -0.04 1.67 1.10 3d26B1 ARG 245 HD2 -0.64 -0.06 0.09 -0.04 3.22 2.57 3d26B1 ARG 245 HD3 -0.51 0.30 0.08 -0.04 3.22 3.05 3d26B1 ALA 246 H -0.08 0.12 -0.12 -0.55 8.40 7.77 3d26B1 ALA 246 HA -0.12 0.22 0.36 -0.75 4.34 4.05 3d26B1 ALA 246 HB3 -0.11 0.04 -0.13 -0.04 1.41 1.17 3d26B1 PRO 247 HA -0.02 0.04 0.56 -0.51 4.44 4.52 3d26B1 PRO 247 HB2 -0.01 -0.03 0.18 -0.04 2.28 2.37 3d26B1 PRO 247 HB3 -0.02 0.07 0.10 -0.04 2.02 2.13 3d26B1 PRO 247 HG2 -0.03 0.03 0.12 -0.04 2.03 2.11 3d26B1 PRO 247 HG3 -0.04 0.09 0.09 -0.04 2.03 2.13 3d26B1 PRO 247 HD2 -0.08 0.13 0.13 -0.04 3.68 3.81 3d26B1 PRO 247 HD3 -0.07 0.28 0.02 -0.04 3.65 3.84 3d26B1 LEU 248 H -0.02 0.45 0.06 -0.55 8.37 8.31 3d26B1 LEU 248 HA -0.00 0.21 0.88 -0.75 4.35 4.68 3d26B1 LEU 248 HB2 -0.02 -0.11 -0.07 -0.04 1.64 1.40 3d26B1 LEU 248 HB3 -0.00 0.12 0.02 -0.04 1.64 1.74 3d26B1 LEU 248 HG -0.03 -0.12 -0.58 -0.04 1.64 0.88 3d26B1 LEU 248 HD13 -0.02 0.06 -0.15 -0.04 0.93 0.78 3d26B1 LEU 248 HD23 0.01 0.05 0.06 -0.04 0.89 0.97 3d26B1 PRO 249 HA 0.01 0.15 0.52 -0.51 4.44 4.61 3d26B1 PRO 249 HB2 0.02 0.16 0.03 -0.04 2.28 2.45 3d26B1 PRO 249 HB3 0.01 -0.01 0.10 -0.04 2.02 2.08 3d26B1 PRO 249 HG2 0.01 -0.01 0.07 -0.04 2.03 2.05 3d26B1 PRO 249 HG3 0.01 0.01 0.08 -0.04 2.03 2.09 3d26B1 PRO 249 HD2 0.00 0.12 0.26 -0.04 3.68 4.03 3d26B1 PRO 249 HD3 0.00 0.12 0.17 -0.04 3.65 3.90 3d26B1 ILE 250 H 0.02 0.55 0.29 -0.55 8.25 8.56 3d26B1 ILE 250 HA 0.05 0.12 0.58 -0.75 4.18 4.18 3d26B1 ILE 250 HB 0.06 0.23 0.12 -0.04 1.89 2.27 3d26B1 ILE 250 HG12 0.01 -0.04 -0.41 -0.04 1.49 1.01 3d26B1 ILE 250 HG13 0.04 -0.07 -0.14 -0.04 1.21 1.00 3d26B1 ILE 250 HG23 0.15 -0.03 -0.19 -0.04 0.93 0.82 3d26B1 ILE 250 HD13 0.10 -0.02 -0.30 -0.04 0.88 0.61 3d26B1 SER 251 H 0.05 0.76 0.48 -0.55 8.46 9.21 3d26B1 SER 251 HA 0.04 0.19 0.98 -0.75 4.49 4.94 3d26B1 SER 251 HB2 0.03 -0.04 0.06 -0.04 3.95 3.96 3d26B1 SER 251 HB3 0.03 0.00 0.01 -0.04 3.93 3.93 3d26B1 SER 252 H 0.07 0.35 0.25 -0.55 8.46 8.58 3d26B1 SER 252 HA 0.05 0.05 0.36 -0.75 4.49 4.20 3d26B1 SER 252 HB2 0.04 0.10 0.19 -0.04 3.95 4.24 3d26B1 SER 252 HB3 0.04 0.17 0.05 -0.04 3.93 4.15 3d26B1 MET 253 H 0.02 0.32 0.17 -0.55 8.47 8.43 3d26B1 MET 253 HA -0.09 0.29 1.00 -0.75 4.52 4.97 3d26B1 MET 253 HB2 -0.06 0.13 -0.06 -0.04 2.15 2.12 3d26B1 MET 253 HB3 -0.10 -0.04 -0.06 -0.04 2.03 1.79 3d26B1 MET 253 HG2 -0.47 0.05 -0.06 -0.04 2.63 2.12 3d26B1 MET 253 HG3 -0.12 -0.05 -0.19 -0.04 2.56 2.17 3d26B1 MET 253 HE3 -0.67 0.02 -0.10 -0.04 2.10 1.31 3d26B1 GLY 254 H 0.08 0.55 0.28 -0.55 8.43 8.79 3d26B1 GLY 254 HA2 0.12 0.02 0.52 -0.51 4.01 4.15 3d26B1 GLY 254 HA3 0.18 0.07 0.24 -0.51 4.01 3.99 3d26B1 ILE 255 H 0.18 0.21 0.15 -0.55 8.25 8.24 3d26B1 ILE 255 HA 0.39 0.29 0.89 -0.75 4.18 4.99 3d26B1 ILE 255 HB 0.06 -0.02 -0.02 -0.04 1.89 1.87 3d26B1 ILE 255 HG12 0.10 -0.20 -0.20 -0.04 1.49 1.15 3d26B1 ILE 255 HG13 0.07 0.03 -0.04 -0.04 1.21 1.23 3d26B1 ILE 255 HG23 0.06 0.09 0.09 -0.04 0.93 1.12 3d26B1 ILE 255 HD13 0.12 0.05 -0.07 -0.04 0.88 0.95 3d26B1 SER 256 H 0.06 0.15 0.12 -0.55 8.46 8.25 3d26B1 SER 256 HA -1.79 0.09 0.51 -0.75 4.49 2.54 3d26B1 SER 256 HB2 -1.12 0.03 0.06 -0.04 3.95 2.88 3d26B1 SER 256 HB3 -0.78 -0.04 0.02 -0.04 3.93 3.08 3d26B1 PRO 257 HA -0.20 0.07 0.44 -0.51 4.44 4.23 3d26B1 PRO 257 HB2 -0.32 -0.07 -0.01 -0.04 2.28 1.84 3d26B1 PRO 257 HB3 -0.16 0.01 0.12 -0.04 2.02 1.94 3d26B1 PRO 257 HG2 -0.34 0.04 0.06 -0.04 2.03 1.75 3d26B1 PRO 257 HG3 -0.18 0.09 0.07 -0.04 2.03 1.97 3d26B1 PRO 257 HD2 -1.66 0.08 0.15 -0.04 3.68 2.21 3d26B1 PRO 257 HD3 -1.83 0.18 0.21 -0.04 3.65 2.17 3d26B1 ASP 258 H -0.11 0.11 0.16 -0.55 8.40 8.01 3d26B1 ASP 258 HA -0.10 0.17 0.40 -0.75 4.63 4.34 3d26B1 ASP 258 HB2 -0.06 -0.05 0.10 -0.04 2.71 2.66 3d26B1 ASP 258 HB3 -0.05 0.02 0.05 -0.04 2.70 2.67 3d26B1 ASN 259 H -0.13 0.01 -0.37 -0.55 8.53 7.50 3d26B1 ASN 259 HA -0.07 0.11 0.50 -0.75 4.76 4.55 3d26B1 ASN 259 HB2 -0.06 0.02 0.14 -0.04 2.88 2.94 3d26B1 ASN 259 HB3 -0.05 -0.02 0.05 -0.04 2.79 2.73 3d26B1 ASN 259 HD21 -0.10 0.01 -0.06 -0.04 7.03 6.83 3d26B1 ASN 259 HD22 -0.07 0.02 -0.10 -0.04 7.74 7.55 3d26B1 VAL 260 H -0.19 0.50 -0.71 -0.55 8.24 7.29 3d26B1 VAL 260 HA -0.11 0.10 0.94 -0.75 4.13 4.30 3d26B1 VAL 260 HB -0.50 0.07 0.07 -0.04 2.12 1.72 3d26B1 VAL 260 HG13 -0.13 -0.01 -0.06 -0.04 0.97 0.73 3d26B1 VAL 260 HG23 -0.42 -0.04 -0.20 -0.04 0.95 0.24 3d26B1 GLN 261 H -0.04 0.10 0.10 -0.55 8.47 8.08 3d26B1 GLN 261 HA -0.03 0.20 0.79 -0.75 4.36 4.56 3d26B1 GLN 261 HB2 0.02 -0.03 0.08 -0.04 2.15 2.17 3d26B1 GLN 261 HB3 0.03 -0.01 0.06 -0.04 2.02 2.07 3d26B1 GLN 261 HG2 -0.03 0.01 -0.10 -0.04 2.40 2.24 3d26B1 GLN 261 HG3 -0.01 -0.04 0.00 -0.04 2.39 2.30 3d26B1 GLN 261 HE21 -0.02 -0.02 0.02 -0.04 6.97 6.90 3d26B1 GLN 261 HE22 -0.02 -0.04 0.00 -0.04 7.69 7.59 3d26B1 SER 262 H -0.03 0.13 0.11 -0.55 8.46 8.12 3d26B1 SER 262 HA -0.12 0.28 0.79 -0.75 4.49 4.69 3d26B1 SER 262 HB2 -0.49 -0.00 0.04 -0.04 3.95 3.46 3d26B1 SER 262 HB3 -0.01 0.02 -0.10 -0.04 3.93 3.80 3d26B1 VAL 263 H -0.28 0.43 0.31 -0.55 8.24 8.14 3d26B1 VAL 263 HA -0.15 0.19 0.84 -0.75 4.13 4.26 3d26B1 VAL 263 HB -0.08 -0.00 -0.13 -0.04 2.12 1.86 3d26B1 VAL 263 HG13 -0.56 -0.05 -0.10 -0.04 0.97 0.22 3d26B1 VAL 263 HG23 -0.26 0.03 0.02 -0.04 0.95 0.71 3d26B1 GLN 264 H -0.10 0.23 0.07 -0.55 8.47 8.13 3d26B1 GLN 264 HA -0.09 0.29 0.89 -0.75 4.36 4.70 3d26B1 GLN 264 HB2 -0.04 -0.10 -0.18 -0.04 2.15 1.78 3d26B1 GLN 264 HB3 0.07 -0.02 0.07 -0.04 2.02 2.09 3d26B1 GLN 264 HG2 0.07 -0.03 0.06 -0.04 2.40 2.46 3d26B1 GLN 264 HG3 0.00 0.23 -0.18 -0.04 2.39 2.41 3d26B1 GLN 264 HE21 0.03 -0.13 -0.08 -0.04 6.97 6.75 3d26B1 GLN 264 HE22 0.02 0.44 -0.11 -0.04 7.69 8.00 3d26B1 PHE 265 H -0.29 0.04 -0.09 -0.55 8.34 7.45 3d26B1 PHE 265 HA 0.10 0.05 0.40 -0.75 4.62 4.42 3d26B1 PHE 265 HB2 0.10 0.02 0.01 -0.04 3.15 3.23 3d26B1 PHE 265 HB3 0.07 0.06 0.08 -0.04 3.06 3.23 3d26B1 PHE 265 HD2 0.12 -0.07 -0.04 -0.04 7.28 7.24 3d26B1 PHE 265 HE2 0.18 0.00 -0.18 -0.04 7.38 7.34 3d26B1 PHE 265 HZ -0.13 -0.05 -0.03 -0.04 7.32 7.07 3d26B1 GLN 266 H 0.25 0.10 0.27 -0.55 8.47 8.54 3d26B1 GLN 266 HA 0.13 0.18 0.82 -0.75 4.36 4.73 3d26B1 GLN 266 HB2 0.23 0.05 0.16 -0.04 2.15 2.56 3d26B1 GLN 266 HB3 0.08 -0.15 0.17 -0.04 2.02 2.07 3d26B1 GLN 266 HG2 0.24 0.10 0.09 -0.04 2.40 2.79 3d26B1 GLN 266 HG3 -0.05 0.02 0.08 -0.04 2.39 2.40 3d26B1 GLN 266 HE21 0.06 0.11 0.05 -0.04 6.97 7.15 3d26B1 GLN 266 HE22 0.13 0.48 -0.03 -0.04 7.69 8.22 3d26B1 ASN 267 H 0.13 0.06 0.11 -0.55 8.53 8.28 3d26B1 ASN 267 HA 0.08 0.11 0.81 -0.75 4.76 5.00 3d26B1 ASN 267 HB2 0.02 -0.07 0.13 -0.04 2.88 2.92 3d26B1 ASN 267 HB3 0.02 0.24 0.15 -0.04 2.79 3.16 3d26B1 ASN 267 HD21 0.04 0.38 -0.30 -0.04 7.03 7.11 3d26B1 ASN 267 HD22 -0.02 -0.14 0.03 -0.04 7.74 7.57 3d26B1 GLY 268 H 0.06 0.16 0.19 -0.55 8.43 8.28 3d26B1 GLY 268 HA2 0.06 0.04 0.32 -0.51 4.01 3.91 3d26B1 GLY 268 HA3 0.09 -0.02 0.57 -0.51 4.01 4.15 3d26B1 ARG 269 H 0.09 0.10 -0.08 -0.55 8.46 8.02 3d26B1 ARG 269 HA 0.12 0.22 0.90 -0.75 4.34 4.82 3d26B1 ARG 269 HB2 0.09 0.13 0.05 -0.04 1.90 2.13 3d26B1 ARG 269 HB3 0.10 -0.00 -0.06 -0.04 1.80 1.80 3d26B1 ARG 269 HG2 0.15 -0.11 -0.76 -0.04 1.67 0.91 3d26B1 ARG 269 HG3 0.12 0.11 -0.18 -0.04 1.67 1.68 3d26B1 ARG 269 HD2 0.15 0.06 -0.15 -0.04 3.22 3.25 3d26B1 ARG 269 HD3 0.15 -0.02 -0.18 -0.04 3.22 3.13 3d26B1 CYS 270 H 0.10 0.40 0.12 -0.55 8.50 8.58 3d26B1 CYS 270 HA 0.07 0.33 0.73 -0.75 4.58 4.95 3d26B1 CYS 270 HB2 0.07 -0.02 -0.28 -0.04 2.97 2.70 3d26B1 CYS 270 HB3 0.09 -0.04 -0.09 -0.04 2.97 2.88 3d26B1 THR 271 H 0.06 0.46 0.21 -0.55 8.28 8.47 3d26B1 THR 271 HA 0.06 0.23 0.33 -0.75 4.39 4.25 3d26B1 THR 271 HB 0.02 0.16 0.21 -0.04 4.32 4.68 3d26B1 THR 271 HG23 0.05 0.07 0.05 -0.04 1.22 1.34 3d26B1 LEU 272 H 0.03 0.48 0.24 -0.55 8.37 8.57 3d26B1 LEU 272 HA 0.23 0.09 0.36 -0.75 4.35 4.28 3d26B1 LEU 272 HB2 -0.08 -0.02 0.02 -0.04 1.64 1.53 3d26B1 LEU 272 HB3 -0.14 -0.00 0.03 -0.04 1.64 1.49 3d26B1 LEU 272 HG 0.01 0.09 0.09 -0.04 1.64 1.79 3d26B1 LEU 272 HD13 -0.05 -0.04 -0.38 -0.04 0.93 0.42 3d26B1 LEU 272 HD23 0.24 -0.00 -0.08 -0.04 0.89 1.00 3d26B1 ASP 273 H 0.03 -0.02 -0.50 -0.55 8.40 7.37 3d26B1 ASP 273 HA 0.03 0.28 0.33 -0.75 4.63 4.51 3d26B1 ASP 273 HB2 -0.02 -0.03 0.05 -0.04 2.71 2.67 3d26B1 ASP 273 HB3 0.01 -0.07 -0.09 -0.04 2.70 2.51 3d26B1 GLY 274 H 0.07 0.49 -0.45 -0.55 8.43 7.99 3d26B1 GLY 274 HA2 0.05 -0.04 -0.24 -0.51 4.01 3.27 3d26B1 GLY 274 HA3 0.03 0.22 0.65 -0.51 4.01 4.41 3d26B1 ARG 275 H 0.04 -0.05 -0.06 -0.55 8.46 7.83 3d26B1 ARG 275 HA 0.02 0.19 0.77 -0.75 4.34 4.57 3d26B1 ARG 275 HB2 0.02 0.01 -0.06 -0.04 1.90 1.83 3d26B1 ARG 275 HB3 0.03 -0.14 0.12 -0.04 1.80 1.77 3d26B1 ARG 275 HG2 0.03 0.12 -0.31 -0.04 1.67 1.47 3d26B1 ARG 275 HG3 0.02 0.04 -0.01 -0.04 1.67 1.69 3d26B1 ARG 275 HD2 0.02 -0.04 -0.04 -0.04 3.22 3.12 3d26B1 ARG 275 HD3 0.03 -0.04 -0.05 -0.04 3.22 3.12 3d26B1 LEU 276 H 0.03 0.17 0.15 -0.55 8.37 8.17 3d26B1 LEU 276 HA 0.04 0.15 0.65 -0.75 4.35 4.43 3d26B1 LEU 276 HB2 0.02 -0.05 0.10 -0.04 1.64 1.67 3d26B1 LEU 276 HB3 0.03 0.18 -0.00 -0.04 1.64 1.81 3d26B1 LEU 276 HG 0.02 0.01 0.01 -0.04 1.64 1.63 3d26B1 LEU 276 HD13 -0.00 0.00 -0.07 -0.04 0.93 0.81 3d26B1 LEU 276 HD23 0.03 -0.00 -0.21 -0.04 0.89 0.66 3d26B1 VAL 277 H 0.06 0.70 0.33 -0.55 8.24 8.78 3d26B1 VAL 277 HA 0.05 0.19 1.00 -0.75 4.13 4.62 3d26B1 VAL 277 HB 0.07 -0.02 -0.03 -0.04 2.12 2.09 3d26B1 VAL 277 HG13 0.06 0.00 0.07 -0.04 0.97 1.06 3d26B1 VAL 277 HG23 0.06 0.03 -0.25 -0.04 0.95 0.74 3d26B1 GLY 278 H 0.05 0.11 0.20 -0.55 8.43 8.24 3d26B1 GLY 278 HA2 0.04 0.06 0.46 -0.51 4.01 4.06 3d26B1 GLY 278 HA3 0.05 0.10 0.63 -0.51 4.01 4.28 3d26B1 THR 279 H 0.06 0.28 0.28 -0.55 8.28 8.35 3d26B1 THR 279 HA 0.06 0.21 0.73 -0.75 4.39 4.63 3d26B1 THR 279 HB 0.09 -0.19 0.16 -0.04 4.32 4.34 3d26B1 THR 279 HG23 0.03 0.04 -0.13 -0.04 1.22 1.12 3d26B1 THR 280 H 0.06 0.49 -0.02 -0.55 8.28 8.25 3d26B1 THR 280 HA 0.05 -0.05 0.51 -0.75 4.39 4.14 3d26B1 THR 280 HB 0.05 0.10 0.23 -0.04 4.32 4.66 3d26B1 THR 280 HG23 0.04 -0.01 -0.09 -0.04 1.22 1.12 3d26B1 PRO 281 HA -0.06 0.16 0.76 -0.51 4.44 4.79 3d26B1 PRO 281 HB2 -0.20 -0.15 0.05 -0.04 2.28 1.94 3d26B1 PRO 281 HB3 -0.04 0.08 -0.01 -0.04 2.02 2.00 3d26B1 PRO 281 HG2 0.02 0.04 -0.23 -0.04 2.03 1.81 3d26B1 PRO 281 HG3 0.07 0.04 -0.20 -0.04 2.03 1.90 3d26B1 PRO 281 HD2 0.03 0.00 0.22 -0.04 3.68 3.89 3d26B1 PRO 281 HD3 0.04 0.26 0.23 -0.04 3.65 4.14 3d26B1 VAL 282 H -0.13 0.09 0.13 -0.55 8.24 7.78 3d26B1 VAL 282 HA -0.01 0.14 0.45 -0.75 4.13 3.95 3d26B1 VAL 282 HB -0.08 -0.08 0.15 -0.04 2.12 2.07 3d26B1 VAL 282 HG13 -0.01 -0.00 -0.14 -0.04 0.97 0.78 3d26B1 VAL 282 HG23 -0.03 0.03 -0.00 -0.04 0.95 0.91 3d26B1 SER 283 H -0.09 0.05 0.02 -0.55 8.46 7.89 3d26B1 SER 283 HA 0.03 0.24 0.84 -0.75 4.49 4.85 3d26B1 SER 283 HB2 0.05 0.08 0.00 -0.04 3.95 4.05 3d26B1 SER 283 HB3 0.17 0.03 0.04 -0.04 3.93 4.14 3d26B1 LEU 284 H 0.05 0.20 0.13 -0.55 8.37 8.21 3d26B1 LEU 284 HA 0.03 0.14 0.36 -0.75 4.35 4.12 3d26B1 LEU 284 HB2 0.02 -0.03 0.12 -0.04 1.64 1.71 3d26B1 LEU 284 HB3 0.02 0.03 -0.04 -0.04 1.64 1.62 3d26B1 LEU 284 HG 0.00 -0.01 0.03 -0.04 1.64 1.61 3d26B1 LEU 284 HD13 0.00 -0.00 -0.04 -0.04 0.93 0.85 3d26B1 LEU 284 HD23 -0.01 0.03 -0.04 -0.04 0.89 0.83 3d26B1 SER 285 H 0.10 -0.04 -0.48 -0.55 8.46 7.50 3d26B1 SER 285 HA 0.01 0.16 0.38 -0.75 4.49 4.30 3d26B1 SER 285 HB2 -0.02 0.06 0.07 -0.04 3.95 4.02 3d26B1 SER 285 HB3 0.04 -0.03 0.03 -0.04 3.93 3.93 3d26B1 HIS 286 H 0.20 0.32 -0.60 -0.55 8.41 7.79 3d26B1 HIS 286 HA 0.01 0.21 0.82 -0.75 4.63 4.91 3d26B1 HIS 286 HB2 0.01 0.07 -0.02 -0.04 3.26 3.29 3d26B1 HIS 286 HB3 0.02 0.03 -0.00 -0.04 3.20 3.21 3d26B1 HIS 286 HD2 0.03 -0.02 -0.03 -0.04 6.97 6.91 3d26B1 HIS 286 HE1 0.02 -0.02 -0.08 -0.04 7.75 7.63 3d26B1 VAL 287 H 0.05 0.21 -0.18 -0.55 8.24 7.78 3d26B1 VAL 287 HA 0.01 0.06 0.54 -0.75 4.13 3.99 3d26B1 VAL 287 HB -0.01 0.08 0.02 -0.04 2.12 2.17 3d26B1 VAL 287 HG13 -0.06 -0.01 -0.61 -0.04 0.97 0.25 3d26B1 VAL 287 HG23 0.02 -0.01 -0.07 -0.04 0.95 0.85 3d26B1 ALA 288 H -0.08 0.23 0.16 -0.55 8.40 8.16 3d26B1 ALA 288 HA -0.28 -0.01 0.35 -0.75 4.34 3.64 3d26B1 ALA 288 HB3 -0.24 0.07 0.12 -0.04 1.41 1.33 3d26B1 LYS 289 H -0.09 0.51 -0.09 -0.55 8.42 8.19 3d26B1 LYS 289 HA -0.12 0.18 1.07 -0.75 4.32 4.69 3d26B1 LYS 289 HB2 -0.03 0.03 -0.14 -0.04 1.87 1.68 3d26B1 LYS 289 HB3 -0.04 -0.01 0.01 -0.04 1.79 1.71 3d26B1 LYS 289 HG2 -0.06 -0.02 -0.07 -0.04 1.46 1.26 3d26B1 LYS 289 HG3 -0.05 0.07 -0.51 -0.04 1.46 0.93 3d26B1 LYS 289 HD2 -0.07 0.02 -0.05 -0.04 1.69 1.55 3d26B1 LYS 289 HD3 -0.04 -0.05 -0.10 -0.04 1.68 1.44 3d26B1 LYS 289 HE2 -0.04 -0.03 -0.09 -0.04 2.99 2.79 3d26B1 LYS 289 HE3 -0.04 0.02 -0.15 -0.04 2.99 2.78 3d26B1 ILE 290 H -0.04 0.55 0.31 -0.55 8.25 8.52 3d26B1 ILE 290 HA 0.08 0.24 0.84 -0.75 4.18 4.58 3d26B1 ILE 290 HB 0.19 -0.00 -0.01 -0.04 1.89 2.03 3d26B1 ILE 290 HG12 0.04 -0.04 -0.11 -0.04 1.49 1.33 3d26B1 ILE 290 HG13 0.07 -0.01 -0.49 -0.04 1.21 0.73 3d26B1 ILE 290 HG23 -0.28 0.01 -0.27 -0.04 0.93 0.35 3d26B1 ILE 290 HD13 0.22 -0.00 -0.22 -0.04 0.88 0.84 3d26B1 ARG 291 H 0.10 0.31 0.13 -0.55 8.46 8.45 3d26B1 ARG 291 HA 0.06 0.24 0.86 -0.75 4.34 4.75 3d26B1 ARG 291 HB2 0.05 -0.09 -0.38 -0.04 1.90 1.44 3d26B1 ARG 291 HB3 0.06 0.06 -0.26 -0.04 1.80 1.62 3d26B1 ARG 291 HG2 0.06 -0.03 0.16 -0.04 1.67 1.82 3d26B1 ARG 291 HG3 0.09 0.16 -0.02 -0.04 1.67 1.87 3d26B1 ARG 291 HD2 0.08 -0.08 -0.15 -0.04 3.22 3.03 3d26B1 ARG 291 HD3 0.08 0.15 0.21 -0.04 3.22 3.62 3d26B1 GLY 292 H 0.08 0.50 0.30 -0.55 8.43 8.76 3d26B1 GLY 292 HA2 0.05 0.07 0.48 -0.51 4.01 4.10 3d26B1 GLY 292 HA3 0.05 0.07 0.27 -0.51 4.01 3.88 3d26B1 THR 293 H 0.04 0.58 0.30 -0.55 8.28 8.66 3d26B1 THR 293 HA 0.10 0.27 1.14 -0.75 4.39 5.15 3d26B1 THR 293 HB 0.03 -0.01 0.17 -0.04 4.32 4.47 3d26B1 THR 293 HG23 0.04 -0.02 -0.15 -0.04 1.22 1.04 3d26B1 SER 294 H 0.13 0.75 0.37 -0.55 8.46 9.17 3d26B1 SER 294 HA -0.00 0.33 1.07 -0.75 4.49 5.13 3d26B1 SER 294 HB2 -0.11 -0.01 -0.09 -0.04 3.95 3.70 3d26B1 SER 294 HB3 0.09 0.21 0.05 -0.04 3.93 4.24 3d26B1 ASN 295 H 0.00 0.27 0.29 -0.55 8.53 8.54 3d26B1 ASN 295 HA 0.02 0.17 0.85 -0.75 4.76 5.05 3d26B1 ASN 295 HB2 0.01 0.02 0.21 -0.04 2.88 3.08 3d26B1 ASN 295 HB3 0.01 0.08 0.00 -0.04 2.79 2.85 3d26B1 ASN 295 HD21 0.01 -0.01 0.01 -0.04 7.03 7.00 3d26B1 ASN 295 HD22 0.01 0.05 0.02 -0.04 7.74 7.78 3d26B1 GLY 296 H -0.01 0.21 -0.09 -0.55 8.43 7.99 3d26B1 GLY 296 HA2 -0.01 0.28 0.17 -0.51 4.01 3.94 3d26B1 GLY 296 HA3 0.00 0.11 0.54 -0.51 4.01 4.16 3d26B1 THR 297 H -0.00 -0.10 -0.40 -0.55 8.28 7.23 3d26B1 THR 297 HA 0.00 0.28 1.00 -0.75 4.39 4.92 3d26B1 THR 297 HB 0.00 -0.04 0.03 -0.04 4.32 4.28 3d26B1 THR 297 HG23 0.01 0.00 -0.04 -0.04 1.22 1.15 3d26B1 VAL 298 H -0.00 0.04 0.20 -0.55 8.24 7.93 3d26B1 VAL 298 HA 0.01 0.15 0.84 -0.75 4.13 4.38 3d26B1 VAL 298 HB 0.01 0.10 -0.07 -0.04 2.12 2.12 3d26B1 VAL 298 HG13 0.01 -0.01 -0.25 -0.04 0.97 0.68 3d26B1 VAL 298 HG23 0.00 -0.02 -0.12 -0.04 0.95 0.78 3d26B1 ILE 299 H 0.01 0.75 0.21 -0.55 8.25 8.67 3d26B1 ILE 299 HA -0.01 0.26 0.95 -0.75 4.18 4.62 3d26B1 ILE 299 HB 0.01 0.00 -0.02 -0.04 1.89 1.83 3d26B1 ILE 299 HG12 -0.15 -0.01 -0.28 -0.04 1.49 1.01 3d26B1 ILE 299 HG13 -0.11 -0.12 -0.52 -0.04 1.21 0.42 3d26B1 ILE 299 HG23 -0.02 0.00 -0.50 -0.04 0.93 0.37 3d26B1 ILE 299 HD13 -0.51 0.00 -0.23 -0.04 0.88 0.09 3d26B1 ASN 300 H 0.01 0.55 0.25 -0.55 8.53 8.79 3d26B1 ASN 300 HA 0.00 0.33 0.91 -0.75 4.76 5.25 3d26B1 ASN 300 HB2 0.01 -0.07 0.27 -0.04 2.88 3.05 3d26B1 ASN 300 HB3 0.00 0.08 0.12 -0.04 2.79 2.95 3d26B1 ASN 300 HD21 0.01 -0.06 -0.03 -0.04 7.03 6.90 3d26B1 ASN 300 HD22 0.01 0.01 0.03 -0.04 7.74 7.75 3d26B1 LEU 301 H -0.01 0.63 0.33 -0.55 8.37 8.77 3d26B1 LEU 301 HA 0.03 0.11 0.90 -0.75 4.35 4.64 3d26B1 LEU 301 HB2 -0.10 -0.05 0.10 -0.04 1.64 1.55 3d26B1 LEU 301 HB3 -0.03 0.11 0.14 -0.04 1.64 1.82 3d26B1 LEU 301 HG 0.02 0.09 -0.12 -0.04 1.64 1.58 3d26B1 LEU 301 HD13 -0.10 -0.02 -0.06 -0.04 0.93 0.72 3d26B1 LEU 301 HD23 0.16 -0.04 -0.21 -0.04 0.89 0.75 3d26B1 THR 302 H 0.03 0.77 0.37 -0.55 8.28 8.91 3d26B1 THR 302 HA 0.05 0.04 0.77 -0.75 4.39 4.49 3d26B1 THR 302 HB 0.05 0.10 -0.20 -0.04 4.32 4.22 3d26B1 THR 302 HG23 0.03 -0.02 -0.21 -0.04 1.22 0.99 3d26B1 GLU 303 H 0.07 0.65 0.12 -0.55 8.60 8.90 3d26B1 GLU 303 HA 0.05 0.14 0.53 -0.75 4.29 4.25 3d26B1 GLU 303 HB2 0.08 -0.17 0.10 -0.04 2.09 2.06 3d26B1 GLU 303 HB3 0.10 -0.04 0.16 -0.04 1.99 2.16 3d26B1 GLU 303 HG2 0.12 0.14 -0.13 -0.04 2.34 2.43 3d26B1 GLU 303 HG3 0.10 -0.00 -0.01 -0.04 2.34 2.38 3d26B1 LEU 304 H 0.10 0.25 0.13 -0.55 8.37 8.30 3d26B1 LEU 304 HA 0.05 0.11 0.25 -0.75 4.35 4.00 3d26B1 LEU 304 HB2 0.10 0.01 0.12 -0.04 1.64 1.84 3d26B1 LEU 304 HB3 -0.03 -0.03 -0.10 -0.04 1.64 1.43 3d26B1 LEU 304 HG -0.23 0.04 0.01 -0.04 1.64 1.42 3d26B1 LEU 304 HD13 -0.04 -0.01 -0.01 -0.04 0.93 0.84 3d26B1 LEU 304 HD23 0.01 0.04 -0.15 -0.04 0.89 0.75 3d26B1 ASP 305 H 0.09 -0.04 -0.51 -0.55 8.40 7.39 3d26B1 ASP 305 HA 0.05 0.07 0.33 -0.75 4.63 4.33 3d26B1 ASP 305 HB2 0.08 -0.02 0.05 -0.04 2.71 2.78 3d26B1 ASP 305 HB3 0.06 -0.28 -0.03 -0.04 2.70 2.41 3d26B1 GLY 306 H 0.06 0.50 -0.23 -0.55 8.43 8.21 3d26B1 GLY 306 HA2 0.06 0.04 0.22 -0.51 4.01 3.82 3d26B1 GLY 306 HA3 0.05 0.14 0.76 -0.51 4.01 4.45 3d26B1 THR 307 H 0.05 -0.08 -0.25 -0.55 8.28 7.45 3d26B1 THR 307 HA 0.04 0.10 0.41 -0.75 4.39 4.19 3d26B1 THR 307 HB 0.06 0.07 0.08 -0.04 4.32 4.49 3d26B1 THR 307 HG23 0.05 -0.02 -0.03 -0.04 1.22 1.18 3d26B1 PRO 308 HA -0.00 0.12 0.52 -0.51 4.44 4.57 3d26B1 PRO 308 HB2 -0.17 0.09 -0.02 -0.04 2.28 2.14 3d26B1 PRO 308 HB3 -0.01 0.03 0.13 -0.04 2.02 2.13 3d26B1 PRO 308 HG2 0.15 0.01 0.04 -0.04 2.03 2.19 3d26B1 PRO 308 HG3 0.12 0.01 0.06 -0.04 2.03 2.19 3d26B1 PRO 308 HD2 0.06 0.02 0.22 -0.04 3.68 3.95 3d26B1 PRO 308 HD3 0.05 0.16 0.22 -0.04 3.65 4.03 3d26B1 PHE 309 H -0.06 0.30 0.26 -0.55 8.34 8.29 3d26B1 PHE 309 HA -0.14 0.12 0.82 -0.75 4.62 4.66 3d26B1 PHE 309 HB2 -0.09 -0.07 -0.14 -0.04 3.15 2.81 3d26B1 PHE 309 HB3 -0.15 0.16 0.02 -0.04 3.06 3.04 3d26B1 PHE 309 HD2 -0.13 -0.05 -0.18 -0.04 7.28 6.88 3d26B1 PHE 309 HE2 -0.14 0.10 -0.35 -0.04 7.38 6.94 3d26B1 PHE 309 HZ -0.06 0.34 -0.40 -0.04 7.32 7.16 3d26B1 HIS 310 H -1.11 0.24 0.11 -0.55 8.41 7.10 3d26B1 HIS 310 HA -0.46 0.27 0.81 -0.75 4.63 4.49 3d26B1 HIS 310 HB2 -1.11 -0.06 0.03 -0.04 3.26 2.08 3d26B1 HIS 310 HB3 -0.29 -0.04 0.04 -0.04 3.20 2.86 3d26B1 HIS 310 HD2 -0.03 -0.01 0.01 -0.04 6.97 6.90 3d26B1 HIS 310 HE1 -0.00 -0.02 -0.14 -0.04 7.75 7.55 3d26B1 PRO 311 HA -0.53 0.35 0.45 -0.51 4.44 4.20 3d26B1 PRO 311 HB2 -0.05 -0.11 0.08 -0.04 2.28 2.16 3d26B1 PRO 311 HB3 -0.41 0.08 0.09 -0.04 2.02 1.75 3d26B1 PRO 311 HG2 -0.12 -0.04 0.11 -0.04 2.03 1.94 3d26B1 PRO 311 HG3 -0.30 0.24 0.21 -0.04 2.03 2.14 3d26B1 PRO 311 HD2 -0.08 0.01 0.19 -0.04 3.68 3.76 3d26B1 PRO 311 HD3 -0.25 0.20 0.16 -0.04 3.65 3.71 3d26B1 PHE 312 H -0.05 0.01 -0.32 -0.55 8.34 7.42 3d26B1 PHE 312 HA -0.13 0.08 0.32 -0.75 4.62 4.13 3d26B1 PHE 312 HB2 -0.13 -0.00 0.06 -0.04 3.15 3.04 3d26B1 PHE 312 HB3 -0.07 -0.05 0.06 -0.04 3.06 2.95 3d26B1 PHE 312 HD2 -0.12 0.01 -0.23 -0.04 7.28 6.90 3d26B1 PHE 312 HE2 -0.24 -0.00 -0.06 -0.04 7.38 7.04 3d26B1 PHE 312 HZ -0.14 -0.01 -0.04 -0.04 7.32 7.08 3d26B1 GLU 313 H -0.87 0.56 -0.23 -0.55 8.60 7.51 3d26B1 GLU 313 HA -0.12 0.01 0.49 -0.75 4.29 3.91 3d26B1 GLU 313 HB2 -0.67 0.11 0.12 -0.04 2.09 1.61 3d26B1 GLU 313 HB3 -0.08 -0.01 0.05 -0.04 1.99 1.90 3d26B1 GLU 313 HG2 -0.18 -0.00 0.05 -0.04 2.34 2.16 3d26B1 GLU 313 HG3 -1.43 -0.09 -0.00 -0.04 2.34 0.77 3d26B1 GLY 314 H 0.00 0.46 -0.19 -0.55 8.43 8.15 3d26B1 GLY 314 HA2 0.15 0.08 0.25 -0.51 4.01 3.98 3d26B1 GLY 314 HA3 0.14 0.13 0.70 -0.51 4.01 4.47 3d26B1 PRO 315 HA -0.00 -0.01 0.48 -0.51 4.44 4.40 3d26B1 PRO 315 HB2 -1.52 -0.03 -0.00 -0.04 2.28 0.69 3d26B1 PRO 315 HB3 -0.48 -0.05 0.06 -0.04 2.02 1.52 3d26B1 PRO 315 HG2 -0.22 0.03 0.01 -0.04 2.03 1.82 3d26B1 PRO 315 HG3 -0.25 -0.10 0.07 -0.04 2.03 1.71 3d26B1 PRO 315 HD2 0.03 0.13 0.20 -0.04 3.68 4.00 3d26B1 PRO 315 HD3 -0.01 0.32 0.05 -0.04 3.65 3.98 3d26B1 ALA 316 H 0.04 0.30 -0.37 -0.55 8.40 7.83 3d26B1 ALA 316 HA -0.52 0.16 0.17 -0.75 4.34 3.40 3d26B1 ALA 316 HB3 -0.34 0.02 -0.14 -0.04 1.41 0.91 3d26B1 PRO 317 HA -0.26 0.01 0.38 -0.51 4.44 4.05 3d26B1 PRO 317 HB2 -0.07 0.10 -0.02 -0.04 2.28 2.25 3d26B1 PRO 317 HB3 -0.13 -0.09 -0.08 -0.04 2.02 1.68 3d26B1 PRO 317 HG2 -0.28 0.08 -0.03 -0.04 2.03 1.76 3d26B1 PRO 317 HG3 -1.07 -0.01 -0.13 -0.04 2.03 0.78 3d26B1 PRO 317 HD2 -0.39 0.08 0.12 -0.04 3.68 3.45 3d26B1 PRO 317 HD3 -0.99 0.20 0.13 -0.04 3.65 2.95 3d26B1 ILE 318 H 0.06 -0.00 0.16 -0.55 8.25 7.92 3d26B1 ILE 318 HA 0.06 0.14 0.47 -0.75 4.18 4.11 3d26B1 ILE 318 HB 0.09 -0.18 0.15 -0.04 1.89 1.91 3d26B1 ILE 318 HG12 0.08 -0.06 0.13 -0.04 1.49 1.59 3d26B1 ILE 318 HG13 0.04 -0.07 0.05 -0.04 1.21 1.19 3d26B1 ILE 318 HG23 0.03 0.04 -0.17 -0.04 0.93 0.80 3d26B1 ILE 318 HD13 0.05 0.05 -0.03 -0.04 0.88 0.92 3d26B1 GLY 319 H 0.08 0.58 0.28 -0.55 8.43 8.82 3d26B1 GLY 319 HA2 0.06 -0.13 0.36 -0.51 4.01 3.79 3d26B1 GLY 319 HA3 0.09 0.29 0.55 -0.51 4.01 4.43 3d26B1 PHE 320 H 0.20 0.42 -0.39 -0.55 8.34 8.01 3d26B1 PHE 320 HA -0.01 0.22 0.36 -0.75 4.62 4.43 3d26B1 PHE 320 HB2 -0.02 0.13 0.02 -0.04 3.15 3.23 3d26B1 PHE 320 HB3 0.13 -0.08 -0.07 -0.04 3.06 2.99 3d26B1 PHE 320 HD2 0.18 0.06 -0.10 -0.04 7.28 7.38 3d26B1 PHE 320 HE2 0.40 -0.05 -0.08 -0.04 7.38 7.61 3d26B1 PHE 320 HZ 0.32 -0.07 -0.09 -0.04 7.32 7.44 3d26B1 PRO 321 HA -0.38 -0.01 0.50 -0.51 4.44 4.04 3d26B1 PRO 321 HB2 -2.30 0.00 0.02 -0.04 2.28 -0.04 3d26B1 PRO 321 HB3 -1.32 0.01 0.10 -0.04 2.02 0.76 3d26B1 PRO 321 HG2 -0.84 -0.03 -0.11 -0.04 2.03 1.01 3d26B1 PRO 321 HG3 -0.57 0.01 -0.07 -0.04 2.03 1.36 3d26B1 PRO 321 HD2 -1.53 0.04 0.02 -0.04 3.68 2.16 3d26B1 PRO 321 HD3 -0.54 0.32 -0.11 -0.04 3.65 3.29 3d26B1 ASP 322 H -0.17 0.14 0.22 -0.55 8.40 8.04 3d26B1 ASP 322 HA 0.29 0.27 0.92 -0.75 4.63 5.36 3d26B1 ASP 322 HB2 0.27 -0.07 0.27 -0.04 2.71 3.14 3d26B1 ASP 322 HB3 0.16 0.11 0.07 -0.04 2.70 3.01 3d26B1 LEU 323 H -0.15 0.07 -0.12 -0.55 8.37 7.62 3d26B1 LEU 323 HA -0.02 0.21 0.74 -0.75 4.35 4.52 3d26B1 LEU 323 HB2 0.06 -0.03 0.05 -0.04 1.64 1.68 3d26B1 LEU 323 HB3 -0.04 0.09 -0.05 -0.04 1.64 1.60 3d26B1 LEU 323 HG -0.40 -0.05 0.02 -0.04 1.64 1.17 3d26B1 LEU 323 HD13 -0.20 0.00 -0.10 -0.04 0.93 0.59 3d26B1 LEU 323 HD23 -0.23 -0.02 -0.11 -0.04 0.89 0.49 3d26B1 GLY 324 H 0.08 0.68 0.09 -0.55 8.43 8.73 3d26B1 GLY 324 HA2 0.03 0.09 0.30 -0.51 4.01 3.91 3d26B1 GLY 324 HA3 0.06 -0.05 -0.34 -0.51 4.01 3.17 3d26B1 GLY 325 H -0.03 0.10 0.04 -0.55 8.43 8.00 3d26B1 GLY 325 HA2 -0.03 0.01 0.36 -0.51 4.01 3.84 3d26B1 GLY 325 HA3 0.01 0.02 0.41 -0.51 4.01 3.94 3d26B1 CYS 326 H -0.14 0.17 -0.18 -0.55 8.50 7.80 3d26B1 CYS 326 HA -0.12 -0.00 0.24 -0.75 4.58 3.95 3d26B1 CYS 326 HB2 -0.13 0.09 0.11 -0.04 2.97 3.00 3d26B1 CYS 326 HB3 -0.11 0.15 -0.04 -0.04 2.97 2.92 3d26B1 ASP 327 H -0.15 0.63 0.08 -0.55 8.40 8.42 3d26B1 ASP 327 HA -0.50 0.06 0.86 -0.75 4.63 4.30 3d26B1 ASP 327 HB2 -0.16 0.16 -0.01 -0.04 2.71 2.66 3d26B1 ASP 327 HB3 -0.40 0.04 -0.01 -0.04 2.70 2.30 3d26B1 TRP 328 H -0.54 0.50 0.38 -0.55 7.97 7.76 3d26B1 TRP 328 HA -0.41 0.28 1.06 -0.75 4.62 4.80 3d26B1 TRP 328 HB2 -0.46 -0.08 0.03 -0.04 3.23 2.68 3d26B1 TRP 328 HB3 -0.36 -0.05 0.04 -0.04 3.23 2.81 3d26B1 TRP 328 HD1 -0.28 0.13 -0.56 -0.04 7.22 6.47 3d26B1 TRP 328 HE1 -0.20 0.46 -0.05 -0.04 10.20 10.37 3d26B1 TRP 328 HE3 -0.30 -0.06 -0.11 -0.04 7.59 7.08 3d26B1 TRP 328 HZ2 -0.11 0.03 -0.26 -0.04 7.44 7.06 3d26B1 TRP 328 HZ3 -0.20 -0.01 -0.10 -0.04 7.13 6.78 3d26B1 TRP 328 HH2 0.23 0.17 -0.11 -0.04 7.19 7.44 3d26B1 HIS 329 H -0.26 0.31 0.16 -0.55 8.41 8.07 3d26B1 HIS 329 HA -0.39 0.25 0.78 -0.75 4.63 4.52 3d26B1 HIS 329 HB2 -1.72 0.06 0.17 -0.04 3.26 1.73 3d26B1 HIS 329 HB3 -0.98 -0.05 -0.00 -0.04 3.20 2.13 3d26B1 HIS 329 HD2 -1.03 0.06 -0.45 -0.04 6.97 5.51 3d26B1 HIS 329 HE1 -0.20 -0.04 -0.10 -0.04 7.75 7.36 3d26B1 ILE 330 H -0.14 0.54 0.19 -0.55 8.25 8.29 3d26B1 ILE 330 HA -0.06 0.17 1.05 -0.75 4.18 4.59 3d26B1 ILE 330 HB 0.03 -0.00 -0.25 -0.04 1.89 1.62 3d26B1 ILE 330 HG12 -0.14 0.11 0.10 -0.04 1.49 1.51 3d26B1 ILE 330 HG13 0.31 -0.05 -0.04 -0.04 1.21 1.39 3d26B1 ILE 330 HG23 -0.15 0.00 -0.38 -0.04 0.93 0.36 3d26B1 ILE 330 HD13 0.03 0.00 -0.17 -0.04 0.88 0.70 3d26B1 ASN 331 H 0.02 0.76 0.36 -0.55 8.53 9.12 3d26B1 ASN 331 HA 0.08 0.08 0.66 -0.75 4.76 4.82 3d26B1 ASN 331 HB2 0.08 -0.00 0.11 -0.04 2.88 3.03 3d26B1 ASN 331 HB3 0.03 0.01 0.20 -0.04 2.79 3.00 3d26B1 ASN 331 HD21 0.03 -0.01 -0.08 -0.04 7.03 6.94 3d26B1 ASN 331 HD22 0.03 0.00 -0.05 -0.04 7.74 7.69 3d26B1 MET 332 H 0.06 0.71 0.37 -0.55 8.47 9.07 3d26B1 MET 332 HA 0.05 0.25 0.95 -0.75 4.52 5.01 3d26B1 MET 332 HB2 0.02 -0.06 0.15 -0.04 2.15 2.22 3d26B1 MET 332 HB3 0.06 0.01 -0.08 -0.04 2.03 1.98 3d26B1 MET 332 HG2 0.06 0.07 -0.16 -0.04 2.63 2.55 3d26B1 MET 332 HG3 -0.15 -0.06 -0.14 -0.04 2.56 2.17 3d26B1 MET 332 HE3 -0.59 -0.01 -0.22 -0.04 2.10 1.24 3d26B1 THR 333 H 0.03 0.67 0.41 -0.55 8.28 8.84 3d26B1 THR 333 HA 0.03 0.20 0.83 -0.75 4.39 4.69 3d26B1 THR 333 HB -0.08 -0.03 0.12 -0.04 4.32 4.29 3d26B1 THR 333 HG23 -0.00 0.00 -0.20 -0.04 1.22 0.98 3d26B1 GLN 334 H -0.09 0.29 0.17 -0.55 8.47 8.29 3d26B1 GLN 334 HA -0.29 0.15 0.93 -0.75 4.36 4.39 3d26B1 GLN 334 HB2 -0.02 -0.06 -0.07 -0.04 2.15 1.96 3d26B1 GLN 334 HB3 -0.08 0.04 0.00 -0.04 2.02 1.94 3d26B1 GLN 334 HG2 -0.57 0.35 0.02 -0.04 2.40 2.16 3d26B1 GLN 334 HG3 -0.20 -0.13 -0.54 -0.04 2.39 1.48 3d26B1 GLN 334 HE21 -0.49 -0.04 -0.06 -0.04 6.97 6.34 3d26B1 GLN 334 HE22 -1.01 0.29 -0.09 -0.04 7.69 6.84 3d26B1 PHE 335 H -0.16 0.21 0.11 -0.55 8.34 7.95 3d26B1 PHE 335 HA -0.05 0.08 0.67 -0.75 4.62 4.57 3d26B1 PHE 335 HB2 -0.06 0.01 0.19 -0.04 3.15 3.25 3d26B1 PHE 335 HB3 -0.06 0.00 0.05 -0.04 3.06 3.01 3d26B1 PHE 335 HD2 -0.03 -0.01 0.00 -0.04 7.28 7.21 3d26B1 PHE 335 HE2 -0.01 0.05 -0.04 -0.04 7.38 7.33 3d26B1 PHE 335 HZ -0.02 0.05 -0.04 -0.04 7.32 7.27 3d26B1 GLY 336 H 0.01 0.20 0.18 -0.55 8.43 8.27 3d26B1 GLY 336 HA2 -0.11 -0.03 0.32 -0.51 4.01 3.68 3d26B1 GLY 336 HA3 -0.27 0.17 0.73 -0.51 4.01 4.14 3d26B1 HIS 337 H -0.08 0.31 -0.23 -0.55 8.41 7.87 3d26B1 HIS 337 HA -0.02 0.12 0.82 -0.75 4.63 4.80 3d26B1 HIS 337 HB2 -0.08 0.00 -0.09 -0.04 3.26 3.05 3d26B1 HIS 337 HB3 -0.04 0.05 0.03 -0.04 3.20 3.19 3d26B1 HIS 337 HD2 -0.13 0.03 -0.12 -0.04 6.97 6.70 3d26B1 HIS 337 HE1 -0.02 -0.05 -0.02 -0.04 7.75 7.62 3d26B1 SER 338 H 0.09 0.09 0.06 -0.55 8.46 8.16 3d26B1 SER 338 HA 0.03 0.20 0.58 -0.75 4.49 4.55 3d26B1 SER 338 HB2 0.03 0.01 0.12 -0.04 3.95 4.07 3d26B1 SER 338 HB3 0.03 0.05 0.10 -0.04 3.93 4.07 3d26B1 GLN 340 HA 0.06 0.21 0.34 -0.75 4.36 4.22 3d26B1 GLN 340 HB2 0.05 -0.01 -0.04 -0.04 2.15 2.11 3d26B1 GLN 340 HB3 0.03 -0.06 0.04 -0.04 2.02 2.00 3d26B1 GLN 340 HG2 0.04 -0.05 0.06 -0.04 2.40 2.40 3d26B1 GLN 340 HG3 0.05 -0.03 -0.16 -0.04 2.39 2.21 3d26B1 GLN 340 HE21 0.05 0.01 -0.05 -0.04 6.97 6.94 3d26B1 GLN 340 HE22 0.05 -0.03 -0.08 -0.04 7.69 7.59 3d26B1 THR 341 H 0.08 0.49 0.32 -0.55 8.28 8.62 3d26B1 THR 341 HA 0.07 0.16 0.99 -0.75 4.39 4.85 3d26B1 THR 341 HB 0.03 -0.05 -0.01 -0.04 4.32 4.25 3d26B1 THR 341 HG23 0.03 0.01 -0.09 -0.04 1.22 1.13 3d26B1 GLN 342 H 0.09 0.15 0.12 -0.55 8.47 8.28 3d26B1 GLN 342 HA 0.12 0.19 0.67 -0.75 4.36 4.59 3d26B1 GLN 342 HB2 0.17 -0.00 0.02 -0.04 2.15 2.30 3d26B1 GLN 342 HB3 0.15 -0.02 0.11 -0.04 2.02 2.21 3d26B1 GLN 342 HG2 0.18 0.00 -0.37 -0.04 2.40 2.17 3d26B1 GLN 342 HG3 0.25 0.02 -0.16 -0.04 2.39 2.46 3d26B1 GLN 342 HE21 0.45 -0.01 -0.08 -0.04 6.97 7.29 3d26B1 GLN 342 HE22 0.30 -0.02 -0.14 -0.04 7.69 7.79 3d26B1 TYR 343 H 0.13 0.76 0.29 -0.55 8.29 8.92 3d26B1 TYR 343 HA -0.05 0.11 0.76 -0.75 4.56 4.62 3d26B1 TYR 343 HB2 -0.10 0.01 -0.09 -0.04 3.06 2.84 3d26B1 TYR 343 HB3 -0.06 0.04 0.14 -0.04 2.98 3.06 3d26B1 TYR 343 HD2 -0.05 0.00 -0.11 -0.04 7.15 6.96 3d26B1 TYR 343 HE2 0.02 -0.02 -0.09 -0.04 6.85 6.72 3d26B1 ASP 344 H 0.05 0.24 0.12 -0.55 8.40 8.26 3d26B1 ASP 344 HA -0.48 0.24 0.79 -0.75 4.63 4.41 3d26B1 ASP 344 HB2 -0.06 -0.01 0.18 -0.04 2.71 2.78 3d26B1 ASP 344 HB3 -0.17 0.01 0.00 -0.04 2.70 2.49 3d26B1 VAL 345 H -0.62 0.73 0.29 -0.55 8.24 8.09 3d26B1 VAL 345 HA -0.45 0.19 1.08 -0.75 4.13 4.20 3d26B1 VAL 345 HB -0.48 -0.09 0.06 -0.04 2.12 1.57 3d26B1 VAL 345 HG13 -0.44 0.01 -0.26 -0.04 0.97 0.24 3d26B1 VAL 345 HG23 -1.06 0.06 -0.29 -0.04 0.95 -0.39 3d26B1 ASP 346 H -0.33 0.26 0.18 -0.55 8.40 7.97 3d26B1 ASP 346 HA -0.43 0.09 0.85 -0.75 4.63 4.38 3d26B1 ASP 346 HB2 -0.20 0.06 0.09 -0.04 2.71 2.62 3d26B1 ASP 346 HB3 -0.17 0.02 0.22 -0.04 2.70 2.74 3d26B1 THR 347 H -0.73 0.24 0.15 -0.55 8.28 7.40 3d26B1 THR 347 HA -1.75 0.18 0.63 -0.75 4.39 2.69 3d26B1 THR 347 HB -1.18 0.03 0.16 -0.04 4.32 3.29 3d26B1 THR 347 HG23 -2.04 0.03 -0.06 -0.04 1.22 -0.89 3d26B1 THR 348 H -0.31 -0.11 -0.42 -0.55 8.28 6.90 3d26B1 THR 348 HA -0.14 0.27 0.88 -0.75 4.39 4.65 3d26B1 THR 348 HB -0.04 -0.10 0.08 -0.04 4.32 4.22 3d26B1 THR 348 HG23 -0.04 -0.01 -0.18 -0.04 1.22 0.95 3d26B1 PRO 349 HA -0.04 0.12 0.48 -0.51 4.44 4.50 3d26B1 PRO 349 HB2 0.00 -0.16 0.13 -0.04 2.28 2.21 3d26B1 PRO 349 HB3 -0.02 0.04 0.12 -0.04 2.02 2.11 3d26B1 PRO 349 HG2 0.03 0.01 -0.04 -0.04 2.03 1.99 3d26B1 PRO 349 HG3 -0.02 0.04 0.06 -0.04 2.03 2.07 3d26B1 PRO 349 HD2 -0.18 0.24 -0.18 -0.04 3.68 3.52 3d26B1 PRO 349 HD3 -0.07 0.01 0.09 -0.04 3.65 3.63 3d26B1 ASP 350 H -0.00 0.08 0.17 -0.55 8.40 8.10 3d26B1 ASP 350 HA 0.02 0.23 0.46 -0.75 4.63 4.60 3d26B1 ASP 350 HB2 0.00 -0.07 0.09 -0.04 2.71 2.70 3d26B1 ASP 350 HB3 0.01 0.03 0.02 -0.04 2.70 2.72 3d26B1 THR 351 H 0.03 -0.02 -0.18 -0.55 8.28 7.57 3d26B1 THR 351 HA 0.03 0.14 0.45 -0.75 4.39 4.26 3d26B1 THR 351 HB 0.05 -0.04 0.08 -0.04 4.32 4.37 3d26B1 THR 351 HG23 0.02 -0.00 -0.00 -0.04 1.22 1.19 3d26B1 PHE 352 H 0.14 0.29 -0.70 -0.55 8.34 7.52 3d26B1 PHE 352 HA -0.01 -0.02 0.81 -0.75 4.62 4.65 3d26B1 PHE 352 HB2 -0.09 -0.13 0.01 -0.04 3.15 2.90 3d26B1 PHE 352 HB3 -0.08 0.27 0.08 -0.04 3.06 3.28 3d26B1 PHE 352 HD2 -0.09 0.11 0.03 -0.04 7.28 7.29 3d26B1 PHE 352 HE2 -0.04 -0.05 -0.15 -0.04 7.38 7.10 3d26B1 PHE 352 HZ 0.34 0.03 -0.10 -0.04 7.32 7.55 3d26B1 VAL 353 H -0.18 0.56 0.06 -0.55 8.24 8.14 3d26B1 VAL 353 HA -0.13 0.62 0.92 -0.75 4.13 4.79 3d26B1 VAL 353 HB -0.00 -0.16 0.11 -0.04 2.12 2.02 3d26B1 VAL 353 HG13 0.01 0.02 -0.39 -0.04 0.97 0.57 3d26B1 VAL 353 HG23 -0.04 -0.04 0.05 -0.04 0.95 0.89 3d26B1 PRO 354 HA -0.35 -0.09 0.38 -0.51 4.44 3.87 3d26B1 PRO 354 HB2 -1.02 0.04 0.05 -0.04 2.28 1.31 3d26B1 PRO 354 HB3 -0.97 -0.04 0.04 -0.04 2.02 1.00 3d26B1 PRO 354 HG2 -0.12 0.12 0.12 -0.04 2.03 2.11 3d26B1 PRO 354 HG3 -0.53 0.01 -0.02 -0.04 2.03 1.46 3d26B1 PRO 354 HD2 -0.52 0.61 0.12 -0.04 3.68 3.85 3d26B1 PRO 354 HD3 -1.75 -0.04 -0.13 -0.04 3.65 1.69 3d26B1 HIS 355 H 0.03 0.43 -0.32 -0.55 8.41 8.01 3d26B1 HIS 355 HA 0.13 0.22 0.24 -0.75 4.63 4.47 3d26B1 HIS 355 HB2 0.08 0.05 -0.02 -0.04 3.26 3.33 3d26B1 HIS 355 HB3 0.04 -0.05 -0.18 -0.04 3.20 2.96 3d26B1 HIS 355 HD2 0.03 -0.08 -0.17 -0.04 6.97 6.70 3d26B1 HIS 355 HE1 0.24 0.11 -0.06 -0.04 7.75 7.99 3d26B1 LEU 356 H -0.03 0.57 -0.40 -0.55 8.37 7.97 3d26B1 LEU 356 HA -0.14 0.11 0.80 -0.75 4.35 4.36 3d26B1 LEU 356 HB2 -0.03 0.13 0.10 -0.04 1.64 1.81 3d26B1 LEU 356 HB3 -0.03 -0.08 0.17 -0.04 1.64 1.66 3d26B1 LEU 356 HG 0.06 -0.01 -0.11 -0.04 1.64 1.53 3d26B1 LEU 356 HD13 0.02 -0.02 -0.00 -0.04 0.93 0.89 3d26B1 LEU 356 HD23 -0.07 0.03 -0.09 -0.04 0.89 0.72 3d26B1 GLY 357 H 0.02 0.52 -0.61 -0.55 8.43 7.81 3d26B1 GLY 357 HA2 -0.07 0.09 0.33 -0.51 4.01 3.86 3d26B1 GLY 357 HA3 0.08 0.03 0.36 -0.51 4.01 3.97 3d26B1 SER 358 H -0.09 0.42 -0.24 -0.55 8.46 8.00 3d26B1 SER 358 HA -0.03 0.28 0.93 -0.75 4.49 4.93 3d26B1 SER 358 HB2 -0.02 0.06 -0.22 -0.04 3.95 3.74 3d26B1 SER 358 HB3 -0.03 0.01 -0.07 -0.04 3.93 3.81 3d26B1 ILE 359 H 0.01 0.42 0.24 -0.55 8.25 8.37 3d26B1 ILE 359 HA 0.01 0.45 1.03 -0.75 4.18 4.92 3d26B1 ILE 359 HB 0.30 0.00 -0.00 -0.04 1.89 2.15 3d26B1 ILE 359 HG12 0.11 0.07 0.01 -0.04 1.49 1.64 3d26B1 ILE 359 HG13 0.22 -0.02 -0.24 -0.04 1.21 1.14 3d26B1 ILE 359 HG23 -0.24 -0.01 -0.23 -0.04 0.93 0.41 3d26B1 ILE 359 HD13 0.46 -0.00 -0.15 -0.04 0.88 1.15 3d26B1 GLN 360 H 0.14 0.16 0.00 -0.55 8.47 8.22 3d26B1 GLN 360 HA 0.05 0.09 0.48 -0.75 4.36 4.23 3d26B1 GLN 360 HB2 0.05 0.09 -0.02 -0.04 2.15 2.23 3d26B1 GLN 360 HB3 0.07 -0.06 0.07 -0.04 2.02 2.05 3d26B1 GLN 360 HG2 0.13 -0.03 -0.16 -0.04 2.40 2.30 3d26B1 GLN 360 HG3 0.05 -0.02 -0.06 -0.04 2.39 2.32 3d26B1 GLN 360 HE21 -0.01 0.30 0.09 -0.04 6.97 7.31 3d26B1 GLN 360 HE22 -0.04 -0.12 0.10 -0.04 7.69 7.59 3d26B1 ALA 361 H 0.02 0.62 -0.10 -0.55 8.40 8.39 3d26B1 ALA 361 HA -0.11 0.11 0.45 -0.75 4.34 4.03 3d26B1 ALA 361 HB3 -0.06 0.04 -0.41 -0.04 1.41 0.93 3d26B1 ASN 362 H 0.21 0.29 -0.02 -0.55 8.53 8.46 3d26B1 ASN 362 HA 0.05 0.11 0.54 -0.75 4.76 4.71 3d26B1 ASN 362 HB2 0.12 0.05 0.10 -0.04 2.88 3.10 3d26B1 ASN 362 HB3 0.17 -0.02 0.25 -0.04 2.79 3.15 3d26B1 ASN 362 HD21 -0.02 -0.07 0.04 -0.04 7.03 6.94 3d26B1 ASN 362 HD22 -0.04 0.33 0.15 -0.04 7.74 8.15 3d26B1 GLY 363 H 0.01 0.56 -0.29 -0.55 8.43 8.16 3d26B1 GLY 363 HA2 0.00 0.03 0.25 -0.51 4.01 3.78 3d26B1 GLY 363 HA3 0.02 0.13 0.53 -0.51 4.01 4.17 3d26B1 ILE 364 H -0.07 -0.03 -0.59 -0.55 8.25 7.01 3d26B1 ILE 364 HA -0.11 0.07 0.38 -0.75 4.18 3.77 3d26B1 ILE 364 HB -0.34 -0.14 -0.05 -0.04 1.89 1.32 3d26B1 ILE 364 HG12 -0.15 -0.04 -0.19 -0.04 1.49 1.08 3d26B1 ILE 364 HG13 -0.70 0.01 -0.14 -0.04 1.21 0.34 3d26B1 ILE 364 HG23 -0.66 0.06 -0.27 -0.04 0.93 0.01 3d26B1 ILE 364 HD13 -0.15 0.03 -0.25 -0.04 0.88 0.47 3d26B1 GLY 365 H 0.00 0.13 0.13 -0.55 8.43 8.14 3d26B1 GLY 365 HA2 0.02 -0.02 0.25 -0.51 4.01 3.74 3d26B1 GLY 365 HA3 0.06 0.04 0.27 -0.51 4.01 3.87 3d26B1 SER 366 H 0.04 0.04 0.03 -0.55 8.46 8.02 3d26B1 SER 366 HA 0.07 0.05 0.12 -0.75 4.49 3.97 3d26B1 SER 366 HB2 0.02 -0.03 0.04 -0.04 3.95 3.93 3d26B1 SER 366 HB3 0.02 0.05 0.07 -0.04 3.93 4.04 3d26B1 GLY 367 H 0.09 0.47 0.33 -0.55 8.43 8.77 3d26B1 GLY 367 HA2 -0.01 -0.05 0.35 -0.51 4.01 3.78 3d26B1 GLY 367 HA3 -0.12 0.24 0.81 -0.51 4.01 4.43 3d26B1 ASN 368 H -0.10 0.13 0.20 -0.55 8.53 8.21 3d26B1 ASN 368 HA 0.09 0.22 0.96 -0.75 4.76 5.27 3d26B1 ASN 368 HB2 0.03 -0.06 0.10 -0.04 2.88 2.90 3d26B1 ASN 368 HB3 0.00 -0.03 0.12 -0.04 2.79 2.84 3d26B1 ASN 368 HD21 0.07 0.02 -0.09 -0.04 7.03 7.00 3d26B1 ASN 368 HD22 0.06 -0.07 -0.13 -0.04 7.74 7.56 3d26B1 TYR 369 H 0.19 0.55 0.37 -0.55 8.29 8.85 3d26B1 TYR 369 HA -0.08 0.24 0.92 -0.75 4.56 4.89 3d26B1 TYR 369 HB2 -0.06 -0.06 -0.13 -0.04 3.06 2.78 3d26B1 TYR 369 HB3 -0.06 0.02 -0.04 -0.04 2.98 2.85 3d26B1 TYR 369 HD2 -0.05 0.02 -0.37 -0.04 7.15 6.71 3d26B1 TYR 369 HE2 -0.04 0.03 -0.31 -0.04 6.85 6.50 3d26B1 VAL 370 H -0.03 0.66 0.35 -0.55 8.24 8.67 3d26B1 VAL 370 HA 0.01 0.24 1.02 -0.75 4.13 4.64 3d26B1 VAL 370 HB -0.24 -0.08 0.11 -0.04 2.12 1.87 3d26B1 VAL 370 HG13 -0.03 0.02 -0.05 -0.04 0.97 0.87 3d26B1 VAL 370 HG23 -0.13 -0.01 -0.07 -0.04 0.95 0.70 3d26B1 GLY 371 H 0.01 0.73 0.30 -0.55 8.43 8.92 3d26B1 GLY 371 HA2 0.01 0.40 1.16 -0.51 4.01 5.06 3d26B1 GLY 371 HA3 0.02 -0.08 0.17 -0.51 4.01 3.62 3d26B1 VAL 372 H -0.01 0.46 0.27 -0.55 8.24 8.41 3d26B1 VAL 372 HA -0.09 0.32 1.06 -0.75 4.13 4.67 3d26B1 VAL 372 HB -0.02 -0.08 0.08 -0.04 2.12 2.06 3d26B1 VAL 372 HG13 -0.06 0.08 0.00 -0.04 0.97 0.95 3d26B1 VAL 372 HG23 -0.04 -0.00 -0.21 -0.04 0.95 0.66 3d26B1 LEU 373 H -0.18 0.69 0.33 -0.55 8.37 8.66 3d26B1 LEU 373 HA -0.18 -0.10 0.47 -0.75 4.35 3.79 3d26B1 LEU 373 HB2 -0.45 -0.00 0.16 -0.04 1.64 1.31 3d26B1 LEU 373 HB3 -0.25 0.06 0.24 -0.04 1.64 1.65 3d26B1 LEU 373 HG -0.18 0.04 -0.35 -0.04 1.64 1.11 3d26B1 LEU 373 HD13 -0.46 -0.01 -0.04 -0.04 0.93 0.38 3d26B1 LEU 373 HD23 -0.39 -0.01 -0.05 -0.04 0.89 0.40 3d26B1 SER 374 H -0.06 0.57 0.54 -0.55 8.46 8.96 3d26B1 SER 374 HA 0.07 0.16 0.91 -0.75 4.49 4.89 3d26B1 SER 374 HB2 0.26 0.10 0.20 -0.04 3.95 4.47 3d26B1 SER 374 HB3 0.36 -0.07 -0.00 -0.04 3.93 4.18 3d26B1 TRP 375 H -0.10 0.32 0.34 -0.55 7.97 7.99 3d26B1 TRP 375 HA 0.02 0.22 0.54 -0.75 4.62 4.64 3d26B1 TRP 375 HB2 0.03 0.08 -0.23 -0.04 3.23 3.07 3d26B1 TRP 375 HB3 0.01 0.03 -0.17 -0.04 3.23 3.06 3d26B1 TRP 375 HD1 0.01 -0.04 -0.18 -0.04 7.22 6.96 3d26B1 TRP 375 HE1 -0.03 -0.03 -0.10 -0.04 10.20 10.00 3d26B1 TRP 375 HE3 -0.04 0.27 -0.16 -0.04 7.59 7.62 3d26B1 TRP 375 HZ2 -0.30 -0.03 -0.10 -0.04 7.44 6.97 3d26B1 TRP 375 HZ3 -0.22 0.00 -0.14 -0.04 7.13 6.73 3d26B1 TRP 375 HH2 -0.45 -0.02 -0.10 -0.04 7.19 6.58 3d26B1 ILE 376 H 0.36 0.64 0.31 -0.55 8.25 9.02 3d26B1 ILE 376 HA 0.00 0.21 0.97 -0.75 4.18 4.60 3d26B1 ILE 376 HB -0.10 0.07 0.07 -0.04 1.89 1.90 3d26B1 ILE 376 HG12 0.05 0.12 -0.04 -0.04 1.49 1.58 3d26B1 ILE 376 HG13 -0.39 -0.05 -0.27 -0.04 1.21 0.45 3d26B1 ILE 376 HG23 -0.06 -0.02 -0.23 -0.04 0.93 0.59 3d26B1 ILE 376 HD13 -0.31 -0.02 -0.17 -0.04 0.88 0.33 3d26B1 SER 377 H -0.02 0.47 0.24 -0.55 8.46 8.60 3d26B1 SER 377 HA 0.21 0.10 0.58 -0.75 4.49 4.63 3d26B1 SER 377 HB2 0.22 0.03 0.09 -0.04 3.95 4.25 3d26B1 SER 377 HB3 0.43 0.01 -0.15 -0.04 3.93 4.18 3d26B1 PRO 378 HA -0.03 0.10 0.29 -0.51 4.44 4.29 3d26B1 PRO 378 HB2 0.02 -0.00 -0.06 -0.04 2.28 2.19 3d26B1 PRO 378 HB3 0.02 0.25 0.00 -0.04 2.02 2.26 3d26B1 PRO 378 HG2 0.09 0.02 0.04 -0.04 2.03 2.14 3d26B1 PRO 378 HG3 0.13 -0.00 0.03 -0.04 2.03 2.15 3d26B1 PRO 378 HD2 0.12 0.08 0.14 -0.04 3.68 3.98 3d26B1 PRO 378 HD3 0.23 0.10 0.16 -0.04 3.65 4.10 3d26B1 PRO 379 HA -0.17 -0.05 0.29 -0.51 4.44 4.00 3d26B1 PRO 379 HB2 -0.07 0.04 -0.21 -0.04 2.28 2.00 3d26B1 PRO 379 HB3 -0.13 -0.01 -0.02 -0.04 2.02 1.83 3d26B1 PRO 379 HG2 -0.05 0.07 -0.21 -0.04 2.03 1.80 3d26B1 PRO 379 HG3 -0.09 -0.04 -0.67 -0.04 2.03 1.18 3d26B1 PRO 379 HD2 -0.03 0.26 -0.25 -0.04 3.68 3.61 3d26B1 PRO 379 HD3 -0.05 0.11 -0.17 -0.04 3.65 3.50 3d26B1 SER 380 H -0.21 0.05 0.15 -0.55 8.46 7.90 3d26B1 SER 380 HA -0.24 0.12 0.39 -0.75 4.49 4.01 3d26B1 SER 380 HB2 -0.26 -0.11 0.16 -0.04 3.95 3.70 3d26B1 SER 380 HB3 -0.54 -0.00 0.02 -0.04 3.93 3.36 3d26B1 HIS 381 H -0.12 0.12 -0.14 -0.55 8.41 7.73 3d26B1 HIS 381 HA -0.05 0.09 0.76 -0.75 4.63 4.68 3d26B1 HIS 381 HB2 -0.08 -0.03 -0.02 -0.04 3.26 3.09 3d26B1 HIS 381 HB3 -0.05 0.03 0.02 -0.04 3.20 3.15 3d26B1 HIS 381 HD2 -0.09 -0.07 -0.09 -0.04 6.97 6.68 3d26B1 HIS 381 HE1 -0.03 -0.01 -0.03 -0.04 7.75 7.64 3d26B1 PRO 382 HA 0.09 0.07 0.21 -0.51 4.44 4.30 3d26B1 PRO 382 HB2 0.01 0.05 0.11 -0.04 2.28 2.41 3d26B1 PRO 382 HB3 0.02 0.02 0.08 -0.04 2.02 2.10 3d26B1 PRO 382 HG2 0.01 0.03 0.07 -0.04 2.03 2.10 3d26B1 PRO 382 HG3 0.01 0.02 -0.01 -0.04 2.03 2.01 3d26B1 PRO 382 HD2 -0.00 0.06 0.28 -0.04 3.68 3.98 3d26B1 PRO 382 HD3 -0.00 0.19 0.18 -0.04 3.65 3.98 3d26B1 GLY 384 HA2 0.00 -0.03 0.18 -0.51 4.01 3.65 3d26B1 GLY 384 HA3 0.00 -0.10 0.29 -0.51 4.01 3.69 3d26B1 SER 385 H -0.01 0.14 -0.59 -0.55 8.46 7.46 3d26B1 SER 385 HA 0.01 -0.05 0.30 -0.75 4.49 3.99 3d26B1 SER 385 HB2 -0.01 -0.06 -0.09 -0.04 3.95 3.75 3d26B1 SER 385 HB3 -0.02 0.04 -0.17 -0.04 3.93 3.74 3d26B1 GLN 386 H 0.02 0.01 0.13 -0.55 8.47 8.08 3d26B1 GLN 386 HA 0.04 0.14 0.57 -0.75 4.36 4.35 3d26B1 GLN 386 HB2 0.04 -0.05 0.01 -0.04 2.15 2.11 3d26B1 GLN 386 HB3 0.06 0.02 0.02 -0.04 2.02 2.08 3d26B1 GLN 386 HG2 0.03 0.04 0.03 -0.04 2.40 2.45 3d26B1 GLN 386 HG3 0.04 -0.04 0.02 -0.04 2.39 2.35 3d26B1 GLN 386 HE21 0.04 -0.05 -0.04 -0.04 6.97 6.88 3d26B1 GLN 386 HE22 0.03 0.22 -0.12 -0.04 7.69 7.77 3d26B1 VAL 387 H 0.07 0.10 0.10 -0.55 8.24 7.96 3d26B1 VAL 387 HA -0.04 0.39 0.68 -0.75 4.13 4.40 3d26B1 VAL 387 HB 0.06 -0.08 0.12 -0.04 2.12 2.17 3d26B1 VAL 387 HG13 -0.34 0.01 -0.20 -0.04 0.97 0.40 3d26B1 VAL 387 HG23 -0.20 0.02 -0.19 -0.04 0.95 0.54 3d26B1 ASP 388 H 0.01 0.52 0.25 -0.55 8.40 8.63 3d26B1 ASP 388 HA 0.17 0.12 0.88 -0.75 4.63 5.04 3d26B1 ASP 388 HB2 0.08 0.04 -0.07 -0.04 2.71 2.72 3d26B1 ASP 388 HB3 0.09 -0.03 0.20 -0.04 2.70 2.91 3d26B1 LEU 389 H -0.00 0.22 -0.02 -0.55 8.37 8.02 3d26B1 LEU 389 HA -0.10 0.26 0.39 -0.75 4.35 4.15 3d26B1 LEU 389 HB2 -0.34 0.07 0.09 -0.04 1.64 1.42 3d26B1 LEU 389 HB3 -0.33 0.01 0.18 -0.04 1.64 1.46 3d26B1 LEU 389 HG -0.12 -0.04 -0.15 -0.04 1.64 1.30 3d26B1 LEU 389 HD13 -0.13 0.02 -0.28 -0.04 0.93 0.49 3d26B1 LEU 389 HD23 -0.13 0.04 -0.19 -0.04 0.89 0.56 3d26B1 TRP 390 H 0.28 0.01 -0.67 -0.55 7.97 7.05 3d26B1 TRP 390 HA 0.26 0.20 0.76 -0.75 4.62 5.09 3d26B1 TRP 390 HB2 0.03 -0.02 -0.03 -0.04 3.23 3.16 3d26B1 TRP 390 HB3 0.04 0.01 0.13 -0.04 3.23 3.37 3d26B1 TRP 390 HD1 -0.01 -0.06 -0.03 -0.04 7.22 7.07 3d26B1 TRP 390 HE1 -0.03 0.01 0.00 -0.04 10.20 10.14 3d26B1 TRP 390 HE3 -0.22 0.01 -0.03 -0.04 7.59 7.30 3d26B1 TRP 390 HZ2 -0.10 0.03 -0.07 -0.04 7.44 7.26 3d26B1 TRP 390 HZ3 -2.56 -0.01 -0.20 -0.04 7.13 4.32 3d26B1 TRP 390 HH2 -0.42 -0.01 -0.48 -0.04 7.19 6.24 3d26B1 LYS 391 H 0.16 0.30 -0.19 -0.55 8.42 8.14 3d26B1 LYS 391 HA 0.20 0.13 0.79 -0.75 4.32 4.69 3d26B1 LYS 391 HB2 0.09 0.02 -0.07 -0.04 1.87 1.86 3d26B1 LYS 391 HB3 0.09 0.04 0.13 -0.04 1.79 2.01 3d26B1 LYS 391 HG2 0.11 0.02 -0.02 -0.04 1.46 1.52 3d26B1 LYS 391 HG3 0.16 -0.10 -0.10 -0.04 1.46 1.38 3d26B1 LYS 391 HD2 0.06 0.01 0.06 -0.04 1.69 1.78 3d26B1 LYS 391 HD3 0.05 0.01 0.05 -0.04 1.68 1.74 3d26B1 LYS 391 HE2 0.05 0.01 0.01 -0.04 2.99 3.02 3d26B1 LYS 391 HE3 0.08 -0.04 -0.00 -0.04 2.99 2.99 3d26B1 ILE 392 H 0.14 0.18 0.20 -0.55 8.25 8.22 3d26B1 ILE 392 HA 0.17 0.37 0.86 -0.75 4.18 4.82 3d26B1 ILE 392 HB 0.33 0.11 0.08 -0.04 1.89 2.37 3d26B1 ILE 392 HG12 0.21 0.11 -0.01 -0.04 1.49 1.76 3d26B1 ILE 392 HG13 0.18 -0.16 0.04 -0.04 1.21 1.23 3d26B1 ILE 392 HG23 0.32 0.09 -0.10 -0.04 0.93 1.20 3d26B1 ILE 392 HD13 0.16 -0.00 -0.05 -0.04 0.88 0.94 3d26B1 PRO 393 HA -0.08 0.02 0.56 -0.51 4.44 4.43 3d26B1 PRO 393 HB2 -0.07 0.11 -0.09 -0.04 2.28 2.20 3d26B1 PRO 393 HB3 -0.10 0.05 -0.09 -0.04 2.02 1.85 3d26B1 PRO 393 HG2 -0.83 0.01 -0.09 -0.04 2.03 1.08 3d26B1 PRO 393 HG3 0.34 0.17 -0.11 -0.04 2.03 2.38 3d26B1 PRO 393 HD2 0.15 0.09 0.11 -0.04 3.68 3.98 3d26B1 PRO 393 HD3 0.21 0.09 -0.62 -0.04 3.65 3.28 3d26B1 ASN 394 H -0.05 0.21 0.15 -0.55 8.53 8.29 3d26B1 ASN 394 HA 0.08 0.01 0.62 -0.75 4.76 4.72 3d26B1 ASN 394 HB2 0.02 -0.10 0.15 -0.04 2.88 2.91 3d26B1 ASN 394 HB3 0.04 0.13 0.29 -0.04 2.79 3.22 3d26B1 ASN 394 HD21 0.05 -0.20 -0.04 -0.04 7.03 6.79 3d26B1 ASN 394 HD22 0.05 0.04 0.09 -0.04 7.74 7.88 3d26B1 TYR 395 H 0.28 0.18 0.16 -0.55 8.29 8.36 3d26B1 TYR 395 HA 0.02 0.05 0.39 -0.75 4.56 4.27 3d26B1 TYR 395 HB2 0.01 -0.11 0.17 -0.04 3.06 3.10 3d26B1 TYR 395 HB3 0.02 0.19 0.12 -0.04 2.98 3.26 3d26B1 TYR 395 HD2 0.00 0.02 -0.00 -0.04 7.15 7.13 3d26B1 TYR 395 HE2 0.23 -0.00 -0.07 -0.04 6.85 6.97 3d26B1 GLY 396 H 0.13 0.01 -0.09 -0.55 8.43 7.93 3d26B1 GLY 396 HA2 0.12 0.05 0.58 -0.51 4.01 4.25 3d26B1 GLY 396 HA3 0.05 -0.02 0.25 -0.51 4.01 3.78 3d26B1 SER 397 H 0.05 0.09 0.00 -0.55 8.46 8.06 3d26B1 SER 397 HA 0.04 0.33 0.60 -0.75 4.49 4.71 3d26B1 SER 397 HB2 0.02 -0.01 0.07 -0.04 3.95 3.99 3d26B1 SER 397 HB3 0.03 0.04 -0.00 -0.04 3.93 3.96 3d26B1 ILE 399 HA 0.03 -0.00 0.16 -0.75 4.18 3.62 3d26B1 ILE 399 HB 0.01 -0.20 0.17 -0.04 1.89 1.83 3d26B1 ILE 399 HG12 0.01 -0.01 0.05 -0.04 1.49 1.50 3d26B1 ILE 399 HG13 0.01 0.05 0.09 -0.04 1.21 1.32 3d26B1 ILE 399 HG23 0.03 -0.00 -0.05 -0.04 0.93 0.86 3d26B1 ILE 399 HD13 0.01 -0.00 0.05 -0.04 0.88 0.89 3d26B1 THR 400 H 0.01 0.07 0.14 -0.55 8.28 7.95 3d26B1 THR 400 HA 0.01 0.00 0.46 -0.75 4.39 4.11 3d26B1 THR 400 HB 0.00 -0.03 0.07 -0.04 4.32 4.32 3d26B1 THR 400 HG23 0.01 0.00 0.11 -0.04 1.22 1.30 3d26B1 GLU 401 H -0.02 0.18 0.16 -0.55 8.60 8.38 3d26B1 GLU 401 HA -0.03 -0.03 0.44 -0.75 4.29 3.91 3d26B1 GLU 401 HB2 -0.00 0.35 -0.17 -0.04 2.09 2.23 3d26B1 GLU 401 HB3 -0.02 -0.05 -0.12 -0.04 1.99 1.76 3d26B1 GLU 401 HG2 0.01 -0.01 -0.02 -0.04 2.34 2.28 3d26B1 GLU 401 HG3 -0.05 0.01 -0.26 -0.04 2.34 1.99 3d26B1 ALA 402 H -0.08 0.14 0.09 -0.55 8.40 8.01 3d26B1 ALA 402 HA -0.16 -0.00 0.46 -0.75 4.34 3.88 3d26B1 ALA 402 HB3 -0.17 0.02 0.16 -0.04 1.41 1.37 3d26B1 THR 403 H -0.21 0.24 0.39 -0.55 8.28 8.16 3d26B1 THR 403 HA -0.97 0.23 0.69 -0.75 4.39 3.59 3d26B1 THR 403 HB -0.29 0.04 0.16 -0.04 4.32 4.19 3d26B1 THR 403 HG23 -0.24 0.01 -0.07 -0.04 1.22 0.88 3d26B1 HIS 404 H -0.38 -0.06 -0.32 -0.55 8.41 7.10 3d26B1 HIS 404 HA -0.01 -0.03 0.26 -0.75 4.63 4.10 3d26B1 HIS 404 HB2 0.02 0.16 -0.04 -0.04 3.26 3.37 3d26B1 HIS 404 HB3 0.03 0.00 0.11 -0.04 3.20 3.30 3d26B1 HIS 404 HD2 0.04 -0.06 -0.02 -0.04 6.97 6.88 3d26B1 HIS 404 HE1 0.18 -0.07 -0.17 -0.04 7.75 7.65 3d26B1 LEU 405 H -0.03 -0.11 -0.15 -0.55 8.37 7.52 3d26B1 LEU 405 HA -0.05 0.10 0.45 -0.75 4.35 4.10 3d26B1 LEU 405 HB2 0.01 -0.09 -0.02 -0.04 1.64 1.50 3d26B1 LEU 405 HB3 0.02 0.17 0.05 -0.04 1.64 1.84 3d26B1 LEU 405 HG -0.05 -0.14 -0.01 -0.04 1.64 1.40 3d26B1 LEU 405 HD13 0.08 0.00 0.02 -0.04 0.93 0.99 3d26B1 LEU 405 HD23 -0.08 0.03 0.05 -0.04 0.89 0.85 3d26B1 ALA 406 H 0.03 0.08 0.19 -0.55 8.40 8.15 3d26B1 ALA 406 HA 0.05 0.05 0.53 -0.75 4.34 4.21 3d26B1 ALA 406 HB3 0.06 0.01 0.08 -0.04 1.41 1.53 3d26B1 PRO 407 HA 0.03 -0.02 0.37 -0.51 4.44 4.30 3d26B1 PRO 407 HB2 0.05 0.09 -0.00 -0.04 2.28 2.38 3d26B1 PRO 407 HB3 0.05 -0.06 0.12 -0.04 2.02 2.10 3d26B1 PRO 407 HG2 0.05 -0.00 0.08 -0.04 2.03 2.12 3d26B1 PRO 407 HG3 0.05 0.02 0.09 -0.04 2.03 2.15 3d26B1 PRO 407 HD2 0.05 0.10 0.16 -0.04 3.68 3.95 3d26B1 PRO 407 HD3 0.05 0.13 0.26 -0.04 3.65 4.04 3d26B1 SER 408 H -0.02 -0.02 0.13 -0.55 8.46 8.00 3d26B1 SER 408 HA -0.15 0.26 0.65 -0.75 4.49 4.49 3d26B1 SER 408 HB2 -0.29 -0.09 0.04 -0.04 3.95 3.57 3d26B1 SER 408 HB3 -0.62 -0.02 -0.01 -0.04 3.93 3.23 3d26B1 VAL 409 H -0.35 0.60 0.35 -0.55 8.24 8.28 3d26B1 VAL 409 HA -0.25 0.11 0.85 -0.75 4.13 4.08 3d26B1 VAL 409 HB -0.26 -0.05 0.15 -0.04 2.12 1.93 3d26B1 VAL 409 HG13 -0.68 -0.01 -0.16 -0.04 0.97 0.07 3d26B1 VAL 409 HG23 -0.03 0.04 -0.16 -0.04 0.95 0.75 3d26B1 TYR 410 H -0.19 0.17 0.09 -0.55 8.29 7.80 3d26B1 TYR 410 HA -0.15 0.27 1.04 -0.75 4.56 4.97 3d26B1 TYR 410 HB2 -0.12 -0.05 -0.02 -0.04 3.06 2.83 3d26B1 TYR 410 HB3 -0.11 0.11 -0.04 -0.04 2.98 2.90 3d26B1 TYR 410 HD2 -0.06 0.09 -0.06 -0.04 7.15 7.07 3d26B1 TYR 410 HE2 -0.03 -0.02 -0.09 -0.04 6.85 6.67 3d26B1 PRO 411 HA -0.14 0.09 0.45 -0.51 4.44 4.33 3d26B1 PRO 411 HB2 -0.02 -0.04 0.23 -0.04 2.28 2.41 3d26B1 PRO 411 HB3 -0.02 0.02 0.17 -0.04 2.02 2.15 3d26B1 PRO 411 HG2 -0.00 0.11 0.18 -0.04 2.03 2.28 3d26B1 PRO 411 HG3 -0.02 -0.04 0.08 -0.04 2.03 2.01 3d26B1 PRO 411 HD2 0.07 0.09 0.34 -0.04 3.68 4.14 3d26B1 PRO 411 HD3 -0.02 0.20 0.39 -0.04 3.65 4.17 3d26B1 PRO 412 HA -0.12 0.03 0.27 -0.51 4.44 4.10 3d26B1 PRO 412 HB2 -0.04 0.02 0.01 -0.04 2.28 2.22 3d26B1 PRO 412 HB3 -0.20 -0.00 0.08 -0.04 2.02 1.85 3d26B1 PRO 412 HG2 0.04 0.11 -0.13 -0.04 2.03 2.01 3d26B1 PRO 412 HG3 -0.18 0.01 -0.05 -0.04 2.03 1.77 3d26B1 PRO 412 HD2 -0.07 0.03 0.03 -0.04 3.68 3.62 3d26B1 PRO 412 HD3 -0.24 0.21 0.19 -0.04 3.65 3.77 3d26B1 GLY 413 H -0.04 0.09 -0.86 -0.55 8.43 7.07 3d26B1 GLY 413 HA2 -0.01 0.05 0.28 -0.51 4.01 3.82 3d26B1 GLY 413 HA3 -0.11 0.03 0.51 -0.51 4.01 3.93 3d26B1 PHE 414 H 0.14 0.13 0.18 -0.55 8.34 8.24 3d26B1 PHE 414 HA 0.02 -0.00 0.34 -0.75 4.62 4.22 3d26B1 PHE 414 HB2 0.10 0.23 -0.28 -0.04 3.15 3.16 3d26B1 PHE 414 HB3 0.07 -0.01 0.20 -0.04 3.06 3.29 3d26B1 PHE 414 HD2 0.10 0.02 0.03 -0.04 7.28 7.39 3d26B1 PHE 414 HE2 0.11 -0.06 -0.03 -0.04 7.38 7.36 3d26B1 PHE 414 HZ -0.31 -0.07 -0.01 -0.04 7.32 6.89 3d26B1 GLY 415 H 0.12 0.01 -0.46 -0.55 8.43 7.55 3d26B1 GLY 415 HA2 0.06 -0.03 0.27 -0.51 4.01 3.80 3d26B1 GLY 415 HA3 0.08 0.11 0.56 -0.51 4.01 4.24 3d26B1 GLU 416 H 0.16 0.38 -0.69 -0.55 8.60 7.90 3d26B1 GLU 416 HA 0.10 0.09 0.29 -0.75 4.29 4.00 3d26B1 GLU 416 HB2 0.16 0.22 -0.03 -0.04 2.09 2.40 3d26B1 GLU 416 HB3 0.17 -0.08 -0.06 -0.04 1.99 1.98 3d26B1 GLU 416 HG2 0.18 -0.11 -0.18 -0.04 2.34 2.19 3d26B1 GLU 416 HG3 0.23 0.08 -0.11 -0.04 2.34 2.51 3d26B1 VAL 417 H 0.08 0.26 0.40 -0.55 8.24 8.42 3d26B1 VAL 417 HA 0.04 0.12 0.93 -0.75 4.13 4.47 3d26B1 VAL 417 HB 0.06 -0.01 0.10 -0.04 2.12 2.23 3d26B1 VAL 417 HG13 0.07 0.04 0.15 -0.04 0.97 1.18 3d26B1 VAL 417 HG23 0.04 0.04 -0.09 -0.04 0.95 0.90 3d26B1 LEU 418 H 0.05 0.11 0.20 -0.55 8.37 8.19 3d26B1 LEU 418 HA -0.06 0.23 0.71 -0.75 4.35 4.48 3d26B1 LEU 418 HB2 0.21 -0.06 0.09 -0.04 1.64 1.84 3d26B1 LEU 418 HB3 -0.46 0.08 -0.01 -0.04 1.64 1.21 3d26B1 LEU 418 HG -0.08 -0.08 -0.02 -0.04 1.64 1.41 3d26B1 LEU 418 HD13 -0.02 0.02 -0.17 -0.04 0.93 0.71 3d26B1 LEU 418 HD23 -0.43 0.03 -0.18 -0.04 0.89 0.26 3d26B1 VAL 419 H -0.18 0.51 0.34 -0.55 8.24 8.36 3d26B1 VAL 419 HA 0.00 0.22 0.95 -0.75 4.13 4.55 3d26B1 VAL 419 HB -0.03 -0.04 -0.00 -0.04 2.12 2.00 3d26B1 VAL 419 HG13 -0.19 -0.01 -0.17 -0.04 0.97 0.56 3d26B1 VAL 419 HG23 0.19 0.01 -0.25 -0.04 0.95 0.86 3d26B1 PHE 420 H 0.18 0.51 0.27 -0.55 8.34 8.75 3d26B1 PHE 420 HA 0.13 0.35 1.03 -0.75 4.62 5.38 3d26B1 PHE 420 HB2 0.21 -0.06 -0.21 -0.04 3.15 3.05 3d26B1 PHE 420 HB3 0.13 -0.05 -0.09 -0.04 3.06 3.01 3d26B1 PHE 420 HD2 0.34 0.05 -0.30 -0.04 7.28 7.33 3d26B1 PHE 420 HE2 0.12 -0.02 -0.14 -0.04 7.38 7.30 3d26B1 PHE 420 HZ 0.09 0.01 -0.15 -0.04 7.32 7.23 3d26B1 PHE 421 H 0.44 0.60 0.29 -0.55 8.34 9.11 3d26B1 PHE 421 HA 0.07 0.18 0.93 -0.75 4.62 5.05 3d26B1 PHE 421 HB2 0.01 -0.06 0.06 -0.04 3.15 3.11 3d26B1 PHE 421 HB3 -0.00 0.04 0.02 -0.04 3.06 3.07 3d26B1 PHE 421 HD2 -0.00 0.11 -0.09 -0.04 7.28 7.26 3d26B1 PHE 421 HE2 0.04 0.10 -0.03 -0.04 7.38 7.45 3d26B1 PHE 421 HZ -0.15 -0.04 -0.05 -0.04 7.32 7.03 3d26B1 MET 422 H 0.10 0.75 0.27 -0.55 8.47 9.04 3d26B1 MET 422 HA 0.02 0.45 0.95 -0.75 4.52 5.19 3d26B1 MET 422 HB2 0.06 0.01 -0.25 -0.04 2.15 1.93 3d26B1 MET 422 HB3 0.03 -0.03 -0.29 -0.04 2.03 1.70 3d26B1 MET 422 HG2 0.05 -0.01 -0.33 -0.04 2.63 2.30 3d26B1 MET 422 HG3 -0.06 0.04 -0.62 -0.04 2.56 1.87 3d26B1 MET 422 HE3 0.28 -0.00 -0.27 -0.04 2.10 2.07 3d26B1 SER 423 H -0.02 0.42 0.22 -0.55 8.46 8.54 3d26B1 SER 423 HA 0.02 0.09 0.93 -0.75 4.49 4.78 3d26B1 SER 423 HB2 -0.02 -0.08 -0.02 -0.04 3.95 3.78 3d26B1 SER 423 HB3 0.00 0.13 -0.07 -0.04 3.93 3.94 3d26B1 LYS 424 H 0.02 0.16 0.13 -0.55 8.42 8.17 3d26B1 LYS 424 HA 0.03 0.23 0.72 -0.75 4.32 4.55 3d26B1 LYS 424 HB2 0.02 -0.02 0.15 -0.04 1.87 1.97 3d26B1 LYS 424 HB3 0.02 0.04 -0.02 -0.04 1.79 1.78 3d26B1 LYS 424 HG2 0.01 0.02 -0.00 -0.04 1.46 1.45 3d26B1 LYS 424 HG3 0.02 -0.05 -0.05 -0.04 1.46 1.33 3d26B1 LYS 424 HD2 0.01 -0.02 -0.03 -0.04 1.69 1.61 3d26B1 LYS 424 HD3 0.02 -0.00 -0.00 -0.04 1.68 1.65 3d26B1 LYS 424 HE2 0.01 -0.02 0.00 -0.04 2.99 2.93 3d26B1 LYS 424 HE3 0.01 0.02 0.01 -0.04 2.99 2.99 3d26B1 MET 425 H 0.08 0.50 0.25 -0.55 8.47 8.75 3d26B1 MET 425 HA 0.05 0.22 0.89 -0.75 4.52 4.93 3d26B1 MET 425 HB2 0.01 -0.03 -0.13 -0.04 2.15 1.96 3d26B1 MET 425 HB3 0.13 -0.10 -0.04 -0.04 2.03 1.98 3d26B1 MET 425 HG2 0.02 -0.09 -0.15 -0.04 2.63 2.38 3d26B1 MET 425 HG3 0.15 0.28 -0.26 -0.04 2.56 2.70 3d26B1 MET 425 HE3 0.08 -0.01 -0.20 -0.04 2.10 1.94 3d26B1 PRO 426 HA 0.07 0.03 0.56 -0.51 4.44 4.59 3d26B1 PRO 426 HB2 0.20 0.11 0.20 -0.04 2.28 2.74 3d26B1 PRO 426 HB3 0.03 -0.05 0.15 -0.04 2.02 2.10 3d26B1 PRO 426 HG2 0.06 0.09 0.15 -0.04 2.03 2.29 3d26B1 PRO 426 HG3 0.03 -0.02 0.08 -0.04 2.03 2.08 3d26B1 PRO 426 HD2 0.09 0.19 0.26 -0.04 3.68 4.18 3d26B1 PRO 426 HD3 0.05 0.20 0.22 -0.04 3.65 4.08 3d26B1 GLY 427 H 0.05 0.18 0.31 -0.55 8.43 8.42 3d26B1 GLY 427 HA2 0.39 0.01 0.41 -0.51 4.01 4.30 3d26B1 GLY 427 HA3 0.61 0.30 0.73 -0.51 4.01 5.14 3d26B1 PRO 428 HA -0.06 0.07 0.50 -0.51 4.44 4.44 3d26B1 PRO 428 HB2 0.05 -0.00 0.26 -0.04 2.28 2.54 3d26B1 PRO 428 HB3 0.01 -0.01 0.15 -0.04 2.02 2.12 3d26B1 PRO 428 HG2 0.29 0.02 0.08 -0.04 2.03 2.39 3d26B1 PRO 428 HG3 0.22 0.01 0.12 -0.04 2.03 2.34 3d26B1 PRO 428 HD2 0.54 0.51 0.41 -0.04 3.68 5.10 3d26B1 PRO 428 HD3 0.24 0.04 0.18 -0.04 3.65 4.07 3d26B1 GLY 429 H -0.39 0.69 -0.33 -0.55 8.43 7.86 3d26B1 GLY 429 HA2 -0.27 0.03 0.41 -0.51 4.01 3.66 3d26B1 GLY 429 HA3 -0.69 0.04 0.24 -0.51 4.01 3.09 3d26B1 ALA 430 H -0.24 0.14 0.06 -0.55 8.40 7.81 3d26B1 ALA 430 HA -0.16 0.14 0.65 -0.75 4.34 4.22 3d26B1 ALA 430 HB3 -0.06 -0.00 0.12 -0.04 1.41 1.43 3d26B1 TYR 431 H -0.14 0.42 0.09 -0.55 8.29 8.12 3d26B1 TYR 431 HA 0.02 0.13 0.80 -0.75 4.56 4.75 3d26B1 TYR 431 HB2 0.02 0.14 0.05 -0.04 3.06 3.24 3d26B1 TYR 431 HB3 0.00 -0.01 -0.11 -0.04 2.98 2.82 3d26B1 TYR 431 HD2 0.05 0.13 -0.26 -0.04 7.15 7.03 3d26B1 TYR 431 HE2 0.09 0.01 -0.16 -0.04 6.85 6.75 3d26B1 ASN 432 H 0.11 0.21 0.09 -0.55 8.53 8.40 3d26B1 ASN 432 HA 0.02 0.26 0.91 -0.75 4.76 5.20 3d26B1 ASN 432 HB2 0.06 -0.01 -0.11 -0.04 2.88 2.78 3d26B1 ASN 432 HB3 0.03 -0.01 -0.03 -0.04 2.79 2.74 3d26B1 ASN 432 HD21 0.03 -0.08 -0.38 -0.04 7.03 6.56 3d26B1 ASN 432 HD22 0.03 0.18 -0.13 -0.04 7.74 7.78 3d26B1 LEU 433 H -0.05 0.72 0.21 -0.55 8.37 8.70 3d26B1 LEU 433 HA -0.27 0.19 0.76 -0.75 4.35 4.27 3d26B1 LEU 433 HB2 -0.12 -0.01 -0.05 -0.04 1.64 1.42 3d26B1 LEU 433 HB3 -0.10 -0.01 0.10 -0.04 1.64 1.59 3d26B1 LEU 433 HG -0.20 -0.04 -0.33 -0.04 1.64 1.02 3d26B1 LEU 433 HD13 -0.32 0.03 -0.00 -0.04 0.93 0.60 3d26B1 LEU 433 HD23 -0.15 -0.02 -0.22 -0.04 0.89 0.45 3d26B1 PRO 434 HA -0.08 0.26 0.59 -0.51 4.44 4.70 3d26B1 PRO 434 HB2 -0.47 -0.00 -0.15 -0.04 2.28 1.62 3d26B1 PRO 434 HB3 -0.69 -0.02 -0.16 -0.04 2.02 1.11 3d26B1 PRO 434 HG2 -0.94 0.08 0.04 -0.04 2.03 1.18 3d26B1 PRO 434 HG3 -2.60 -0.03 -0.09 -0.04 2.03 -0.73 3d26B1 PRO 434 HD2 -0.62 0.14 0.26 -0.04 3.68 3.42 3d26B1 PRO 434 HD3 -0.67 0.33 0.19 -0.04 3.65 3.46 3d26B1 CYS 435 H 0.22 0.37 0.31 -0.55 8.50 8.85 3d26B1 CYS 435 HA 0.15 0.18 0.68 -0.75 4.58 4.83 3d26B1 CYS 435 HB2 0.07 0.03 0.13 -0.04 2.97 3.15 3d26B1 CYS 435 HB3 -0.05 0.03 -0.12 -0.04 2.97 2.79 3d26B1 LEU 436 H 0.37 0.24 0.20 -0.55 8.37 8.63 3d26B1 LEU 436 HA 0.23 0.13 0.69 -0.75 4.35 4.65 3d26B1 LEU 436 HB2 0.22 0.22 0.23 -0.04 1.64 2.27 3d26B1 LEU 436 HB3 0.19 0.09 0.21 -0.04 1.64 2.09 3d26B1 LEU 436 HG 0.40 -0.09 0.03 -0.04 1.64 1.94 3d26B1 LEU 436 HD13 0.10 0.02 -0.04 -0.04 0.93 0.96 3d26B1 LEU 436 HD23 -0.01 -0.01 -0.00 -0.04 0.89 0.82 3d26B1 LEU 437 H 0.09 0.13 0.03 -0.55 8.37 8.08 3d26B1 LEU 437 HA -0.36 0.14 0.72 -0.75 4.35 4.09 3d26B1 LEU 437 HB2 0.04 -0.03 -0.01 -0.04 1.64 1.59 3d26B1 LEU 437 HB3 -0.01 -0.06 0.01 -0.04 1.64 1.54 3d26B1 LEU 437 HG 0.13 0.06 -0.37 -0.04 1.64 1.42 3d26B1 LEU 437 HD13 0.13 -0.04 -0.08 -0.04 0.93 0.90 3d26B1 LEU 437 HD23 0.13 0.05 0.04 -0.04 0.89 1.07 3d26B1 PRO 438 HA -0.22 0.25 0.53 -0.51 4.44 4.48 3d26B1 PRO 438 HB2 -0.32 -0.24 0.04 -0.04 2.28 1.72 3d26B1 PRO 438 HB3 -0.28 0.15 0.14 -0.04 2.02 1.99 3d26B1 PRO 438 HG2 -1.23 0.05 0.07 -0.04 2.03 0.87 3d26B1 PRO 438 HG3 -1.23 0.09 0.06 -0.04 2.03 0.91 3d26B1 PRO 438 HD2 -1.38 0.03 0.17 -0.04 3.68 2.46 3d26B1 PRO 438 HD3 -1.81 0.21 0.18 -0.04 3.65 2.19 3d26B1 GLN 439 H -0.06 0.50 -0.01 -0.55 8.47 8.36 3d26B1 GLN 439 HA 0.00 0.13 0.38 -0.75 4.36 4.13 3d26B1 GLN 439 HB2 -0.01 0.23 -0.00 -0.04 2.15 2.33 3d26B1 GLN 439 HB3 0.00 -0.08 0.04 -0.04 2.02 1.94 3d26B1 GLN 439 HG2 0.02 -0.09 -0.05 -0.04 2.40 2.24 3d26B1 GLN 439 HG3 0.02 -0.04 -0.09 -0.04 2.39 2.24 3d26B1 GLN 439 HE21 0.02 0.38 -0.23 -0.04 6.97 7.09 3d26B1 GLN 439 HE22 0.02 0.11 -0.38 -0.04 7.69 7.40 3d26B1 GLU 440 H 0.01 0.09 -0.16 -0.55 8.60 7.99 3d26B1 GLU 440 HA 0.06 0.08 0.37 -0.75 4.29 4.05 3d26B1 GLU 440 HB2 0.14 0.06 -0.09 -0.04 2.09 2.17 3d26B1 GLU 440 HB3 0.06 0.05 0.04 -0.04 1.99 2.10 3d26B1 GLU 440 HG2 0.01 -0.14 0.16 -0.04 2.34 2.33 3d26B1 GLU 440 HG3 0.03 0.12 0.06 -0.04 2.34 2.52 3d26B1 TYR 441 H 0.17 0.22 -0.50 -0.55 8.29 7.63 3d26B1 TYR 441 HA -0.05 0.06 0.50 -0.75 4.56 4.32 3d26B1 TYR 441 HB2 -0.12 0.23 0.04 -0.04 3.06 3.18 3d26B1 TYR 441 HB3 -0.05 0.04 -0.07 -0.04 2.98 2.85 3d26B1 TYR 441 HD2 -0.10 -0.06 -0.07 -0.04 7.15 6.88 3d26B1 TYR 441 HE2 -0.05 0.02 -0.01 -0.04 6.85 6.77 3d26B1 ILE 442 H 0.10 0.30 -0.25 -0.55 8.25 7.85 3d26B1 ILE 442 HA 0.09 0.05 0.34 -0.75 4.18 3.91 3d26B1 ILE 442 HB 0.05 0.14 0.17 -0.04 1.89 2.20 3d26B1 ILE 442 HG12 0.07 -0.01 -0.18 -0.04 1.49 1.34 3d26B1 ILE 442 HG13 0.06 0.09 -0.05 -0.04 1.21 1.26 3d26B1 ILE 442 HG23 0.04 0.01 -0.19 -0.04 0.93 0.75 3d26B1 ILE 442 HD13 0.04 -0.02 -0.04 -0.04 0.88 0.82 3d26B1 SER 443 H 0.06 0.47 -0.00 -0.55 8.46 8.44 3d26B1 SER 443 HA 0.02 0.02 0.35 -0.75 4.49 4.12 3d26B1 SER 443 HB2 0.02 -0.07 0.04 -0.04 3.95 3.90 3d26B1 SER 443 HB3 0.03 0.21 0.15 -0.04 3.93 4.28 3d26B1 HIS 444 H 0.12 0.24 -0.70 -0.55 8.41 7.53 3d26B1 HIS 444 HA -0.05 0.05 0.52 -0.75 4.63 4.40 3d26B1 HIS 444 HB2 -0.07 0.05 0.09 -0.04 3.26 3.30 3d26B1 HIS 444 HB3 -0.12 0.10 0.18 -0.04 3.20 3.31 3d26B1 HIS 444 HD2 -0.26 0.10 -0.27 -0.04 6.97 6.50 3d26B1 HIS 444 HE1 -0.13 -0.01 -0.18 -0.04 7.75 7.39 3d26B1 LEU 445 H 0.08 0.68 0.07 -0.55 8.37 8.66 3d26B1 LEU 445 HA 0.01 0.02 0.47 -0.75 4.35 4.10 3d26B1 LEU 445 HB2 0.08 0.06 0.10 -0.04 1.64 1.83 3d26B1 LEU 445 HB3 0.11 0.01 -0.05 -0.04 1.64 1.66 3d26B1 LEU 445 HG 0.06 0.09 0.09 -0.04 1.64 1.84 3d26B1 LEU 445 HD13 0.14 -0.02 -0.21 -0.04 0.93 0.81 3d26B1 LEU 445 HD23 0.13 -0.00 0.07 -0.04 0.89 1.04 3d26B1 ALA 446 H 0.02 0.67 -0.14 -0.55 8.40 8.40 3d26B1 ALA 446 HA 0.01 0.09 0.50 -0.75 4.34 4.18 3d26B1 ALA 446 HB3 0.01 -0.02 -0.00 -0.04 1.41 1.36 3d26B1 SER 447 H -0.07 0.18 -0.59 -0.55 8.46 7.44 3d26B1 SER 447 HA -0.05 0.04 0.59 -0.75 4.49 4.32 3d26B1 SER 447 HB2 -0.07 0.03 0.13 -0.04 3.95 4.00 3d26B1 SER 447 HB3 -0.18 0.08 0.19 -0.04 3.93 3.98 3d26B1 GLU 448 H -0.19 0.56 0.01 -0.55 8.60 8.43 3d26B1 GLU 448 HA -0.13 -0.01 0.39 -0.75 4.29 3.79 3d26B1 GLU 448 HB2 -0.29 0.21 0.18 -0.04 2.09 2.15 3d26B1 GLU 448 HB3 -0.06 -0.10 0.02 -0.04 1.99 1.81 3d26B1 GLU 448 HG2 -0.18 -0.07 -0.03 -0.04 2.34 2.02 3d26B1 GLU 448 HG3 -0.08 -0.03 -0.06 -0.04 2.34 2.14 3d26B1 GLN 449 H -0.01 0.57 -0.15 -0.55 8.47 8.33 3d26B1 GLN 449 HA 0.02 0.27 0.28 -0.75 4.36 4.18 3d26B1 GLN 449 HB2 -0.01 0.12 -0.22 -0.04 2.15 2.00 3d26B1 GLN 449 HB3 -0.00 -0.13 0.16 -0.04 2.02 2.01 3d26B1 GLN 449 HG2 -0.00 0.02 0.04 -0.04 2.40 2.42 3d26B1 GLN 449 HG3 -0.02 0.10 -0.45 -0.04 2.39 1.98 3d26B1 GLN 449 HE21 -0.01 -0.17 0.03 -0.04 6.97 6.77 3d26B1 GLN 449 HE22 -0.02 0.20 0.09 -0.04 7.69 7.92 3d26B1 ALA 450 H 0.09 0.07 -0.30 -0.55 8.40 7.71 3d26B1 ALA 450 HA 0.06 0.15 0.50 -0.75 4.34 4.30 3d26B1 ALA 450 HB3 0.27 -0.01 -0.03 -0.04 1.41 1.60 3d26B1 PRO 451 HA -0.06 0.00 0.40 -0.51 4.44 4.28 3d26B1 PRO 451 HB2 -0.05 -0.06 0.12 -0.04 2.28 2.24 3d26B1 PRO 451 HB3 -0.07 -0.01 0.04 -0.04 2.02 1.94 3d26B1 PRO 451 HG2 -0.01 -0.02 0.10 -0.04 2.03 2.06 3d26B1 PRO 451 HG3 -0.02 0.09 0.09 -0.04 2.03 2.15 3d26B1 PRO 451 HD2 0.04 0.01 0.22 -0.04 3.68 3.91 3d26B1 PRO 451 HD3 0.02 0.42 0.35 -0.04 3.65 4.40 3d26B1 THR 452 H -0.16 0.10 0.11 -0.55 8.28 7.80 3d26B1 THR 452 HA -0.49 0.11 0.49 -0.75 4.39 3.74 3d26B1 THR 452 HB -0.35 0.07 0.06 -0.04 4.32 4.06 3d26B1 THR 452 HG23 -0.13 0.01 -0.09 -0.04 1.22 0.97 3d26B1 VAL 453 H -0.99 0.27 0.18 -0.55 8.24 7.15 3d26B1 VAL 453 HA -0.54 0.04 0.47 -0.75 4.13 3.34 3d26B1 VAL 453 HB -1.34 -0.01 0.05 -0.04 2.12 0.78 3d26B1 VAL 453 HG13 -0.34 -0.01 0.06 -0.04 0.97 0.64 3d26B1 VAL 453 HG23 -0.27 0.04 -0.01 -0.04 0.95 0.67 3d26B1 GLY 454 H -0.42 0.01 0.10 -0.55 8.43 7.58 3d26B1 GLY 454 HA2 -0.19 -0.06 0.35 -0.51 4.01 3.60 3d26B1 GLY 454 HA3 -0.20 0.06 0.28 -0.51 4.01 3.64 3d26B1 GLU 455 H -0.08 0.15 0.22 -0.55 8.60 8.34 3d26B1 GLU 455 HA -0.10 0.18 0.68 -0.75 4.29 4.30 3d26B1 GLU 455 HB2 -0.07 -0.17 0.23 -0.04 2.09 2.03 3d26B1 GLU 455 HB3 -0.01 0.05 0.20 -0.04 1.99 2.18 3d26B1 GLU 455 HG2 -0.08 0.04 0.08 -0.04 2.34 2.35 3d26B1 GLU 455 HG3 -0.10 0.07 -0.04 -0.04 2.34 2.23 3d26B1 ALA 456 H 0.07 0.21 0.01 -0.55 8.40 8.14 3d26B1 ALA 456 HA -0.10 0.20 0.56 -0.75 4.34 4.25 3d26B1 ALA 456 HB3 -0.44 0.02 -0.17 -0.04 1.41 0.78 3d26B1 ALA 457 H -0.02 0.83 0.36 -0.55 8.40 9.02 3d26B1 ALA 457 HA 0.00 0.12 0.99 -0.75 4.34 4.70 3d26B1 ALA 457 HB3 -0.34 0.00 -0.01 -0.04 1.41 1.02 3d26B1 LEU 458 H -0.18 0.76 0.42 -0.55 8.37 8.83 3d26B1 LEU 458 HA -0.11 0.19 0.77 -0.75 4.35 4.45 3d26B1 LEU 458 HB2 -0.41 -0.03 0.08 -0.04 1.64 1.24 3d26B1 LEU 458 HB3 -0.34 -0.08 0.24 -0.04 1.64 1.42 3d26B1 LEU 458 HG -0.25 -0.00 -0.21 -0.04 1.64 1.14 3d26B1 LEU 458 HD13 -0.09 0.05 0.07 -0.04 0.93 0.93 3d26B1 LEU 458 HD23 -0.25 -0.02 -0.06 -0.04 0.89 0.52 3d26B1 LEU 459 H 0.10 0.94 0.39 -0.55 8.37 9.25 3d26B1 LEU 459 HA 0.01 0.27 1.01 -0.75 4.35 4.89 3d26B1 LEU 459 HB2 0.28 -0.07 -0.17 -0.04 1.64 1.64 3d26B1 LEU 459 HB3 0.28 -0.05 -0.15 -0.04 1.64 1.68 3d26B1 LEU 459 HG 0.06 0.09 -0.40 -0.04 1.64 1.34 3d26B1 LEU 459 HD13 -0.11 -0.00 -0.24 -0.04 0.93 0.53 3d26B1 LEU 459 HD23 0.11 0.02 -0.40 -0.04 0.89 0.58 3d26B1 HIS 460 H 0.22 0.46 0.26 -0.55 8.41 8.80 3d26B1 HIS 460 HA 0.25 0.28 0.97 -0.75 4.63 5.37 3d26B1 HIS 460 HB2 0.05 0.07 0.12 -0.04 3.26 3.46 3d26B1 HIS 460 HB3 0.07 -0.04 -0.08 -0.04 3.20 3.10 3d26B1 HIS 460 HD2 0.13 0.22 -0.02 -0.04 6.97 7.26 3d26B1 HIS 460 HE1 0.00 -0.01 -0.05 -0.04 7.75 7.65 3d26B1 TYR 461 H 0.42 0.57 0.13 -0.55 8.29 8.86 3d26B1 TYR 461 HA -0.37 0.16 0.59 -0.75 4.56 4.18 3d26B1 TYR 461 HB2 -0.62 0.00 -0.07 -0.04 3.06 2.34 3d26B1 TYR 461 HB3 0.03 -0.03 0.06 -0.04 2.98 3.00 3d26B1 TYR 461 HD2 -0.85 -0.02 -0.24 -0.04 7.15 5.99 3d26B1 TYR 461 HE2 -0.24 0.10 -0.20 -0.04 6.85 6.47 3d26B1 VAL 462 H -0.20 0.79 0.28 -0.55 8.24 8.56 3d26B1 VAL 462 HA -0.13 0.16 0.89 -0.75 4.13 4.29 3d26B1 VAL 462 HB -0.09 0.01 -0.07 -0.04 2.12 1.93 3d26B1 VAL 462 HG13 -0.06 0.04 -0.41 -0.04 0.97 0.50 3d26B1 VAL 462 HG23 0.03 0.04 -0.22 -0.04 0.95 0.76 3d26B1 ASP 463 H -0.13 0.54 0.18 -0.55 8.40 8.44 3d26B1 ASP 463 HA -0.21 0.18 0.66 -0.75 4.63 4.50 3d26B1 ASP 463 HB2 -0.10 0.12 0.09 -0.04 2.71 2.79 3d26B1 ASP 463 HB3 -0.07 -0.13 0.20 -0.04 2.70 2.65 3d26B1 PRO 464 HA -0.06 0.12 0.41 -0.51 4.44 4.39 3d26B1 PRO 464 HB2 -0.04 0.04 -0.02 -0.04 2.28 2.21 3d26B1 PRO 464 HB3 -0.06 0.06 0.04 -0.04 2.02 2.01 3d26B1 PRO 464 HG2 -0.06 -0.10 0.12 -0.04 2.03 1.96 3d26B1 PRO 464 HG3 -0.06 0.15 0.11 -0.04 2.03 2.19 3d26B1 PRO 464 HD2 -0.13 0.05 0.31 -0.04 3.68 3.87 3d26B1 PRO 464 HD3 -0.17 0.21 0.32 -0.04 3.65 3.97 3d26B1 ASP 465 H -0.05 0.09 -0.16 -0.55 8.40 7.73 3d26B1 ASP 465 HA -0.03 0.13 0.44 -0.75 4.63 4.42 3d26B1 ASP 465 HB2 -0.03 -0.08 0.09 -0.04 2.71 2.64 3d26B1 ASP 465 HB3 -0.02 0.04 -0.01 -0.04 2.70 2.67 3d26B1 THR 466 H -0.04 0.01 -0.10 -0.55 8.28 7.60 3d26B1 THR 466 HA -0.02 0.25 0.82 -0.75 4.39 4.69 3d26B1 THR 466 HB -0.02 0.04 0.11 -0.04 4.32 4.41 3d26B1 THR 466 HG23 -0.02 -0.00 -0.05 -0.04 1.22 1.11 3d26B1 GLY 467 H -0.04 0.30 -0.27 -0.55 8.43 7.87 3d26B1 GLY 467 HA2 -0.04 0.09 0.26 -0.51 4.01 3.80 3d26B1 GLY 467 HA3 -0.03 0.04 0.33 -0.51 4.01 3.84 3d26B1 ARG 468 H -0.04 -0.08 -0.39 -0.55 8.46 7.40 3d26B1 ARG 468 HA -0.03 0.18 0.67 -0.75 4.34 4.40 3d26B1 ARG 468 HB2 -0.03 -0.07 -0.05 -0.04 1.90 1.71 3d26B1 ARG 468 HB3 -0.02 0.05 -0.02 -0.04 1.80 1.77 3d26B1 ARG 468 HG2 -0.02 0.08 -0.10 -0.04 1.67 1.60 3d26B1 ARG 468 HG3 -0.02 -0.05 -0.14 -0.04 1.67 1.41 3d26B1 ARG 468 HD2 -0.01 0.01 -0.02 -0.04 3.22 3.16 3d26B1 ARG 468 HD3 -0.01 0.00 -0.01 -0.04 3.22 3.16 3d26B1 ASN 469 H -0.05 0.15 0.13 -0.55 8.53 8.21 3d26B1 ASN 469 HA -0.06 0.08 0.49 -0.75 4.76 4.52 3d26B1 ASN 469 HB2 -0.21 0.05 0.05 -0.04 2.88 2.73 3d26B1 ASN 469 HB3 -0.13 -0.00 0.17 -0.04 2.79 2.78 3d26B1 ASN 469 HD21 -0.20 -0.01 -0.14 -0.04 7.03 6.63 3d26B1 ASN 469 HD22 -0.18 0.01 -0.03 -0.04 7.74 7.49 3d26B1 LEU 470 H 0.01 0.62 0.33 -0.55 8.37 8.79 3d26B1 LEU 470 HA 0.05 0.11 0.65 -0.75 4.35 4.40 3d26B1 LEU 470 HB2 0.21 0.14 0.09 -0.04 1.64 2.04 3d26B1 LEU 470 HB3 0.15 -0.04 0.15 -0.04 1.64 1.86 3d26B1 LEU 470 HG -0.09 0.04 0.09 -0.04 1.64 1.64 3d26B1 LEU 470 HD13 -0.07 -0.03 -0.07 -0.04 0.93 0.73 3d26B1 LEU 470 HD23 -0.01 -0.04 -0.19 -0.04 0.89 0.61 3d26B1 GLY 471 H 0.12 0.02 -0.22 -0.55 8.43 7.80 3d26B1 GLY 471 HA2 0.10 0.06 0.31 -0.51 4.01 3.96 3d26B1 GLY 471 HA3 0.24 0.17 0.58 -0.51 4.01 4.48 3d26B1 GLU 472 H 0.07 0.24 0.14 -0.55 8.60 8.50 3d26B1 GLU 472 HA 0.42 0.27 0.91 -0.75 4.29 5.14 3d26B1 GLU 472 HB2 0.11 0.03 0.20 -0.04 2.09 2.39 3d26B1 GLU 472 HB3 0.23 0.05 0.08 -0.04 1.99 2.30 3d26B1 GLU 472 HG2 0.31 0.05 0.03 -0.04 2.34 2.69 3d26B1 GLU 472 HG3 0.12 -0.04 0.03 -0.04 2.34 2.40 3d26B1 PHE 473 H 0.46 0.62 0.41 -0.55 8.34 9.27 3d26B1 PHE 473 HA 0.16 0.23 0.94 -0.75 4.62 5.19 3d26B1 PHE 473 HB2 0.23 -0.12 -0.10 -0.04 3.15 3.12 3d26B1 PHE 473 HB3 0.08 0.06 0.12 -0.04 3.06 3.28 3d26B1 PHE 473 HD2 0.22 0.05 -0.35 -0.04 7.28 7.15 3d26B1 PHE 473 HE2 0.13 -0.02 -0.22 -0.04 7.38 7.23 3d26B1 PHE 473 HZ -0.02 -0.02 -0.13 -0.04 7.32 7.11 3d26B1 LYS 474 H 0.26 0.47 0.33 -0.55 8.42 8.93 3d26B1 LYS 474 HA 0.04 0.34 1.03 -0.75 4.32 4.97 3d26B1 LYS 474 HB2 0.21 -0.04 -0.00 -0.04 1.87 1.99 3d26B1 LYS 474 HB3 -0.16 0.03 -0.10 -0.04 1.79 1.52 3d26B1 LYS 474 HG2 0.01 -0.02 -0.16 -0.04 1.46 1.25 3d26B1 LYS 474 HG3 0.16 -0.07 -0.47 -0.04 1.46 1.04 3d26B1 LYS 474 HD2 0.37 0.03 -0.24 -0.04 1.69 1.81 3d26B1 LYS 474 HD3 0.26 -0.05 -0.16 -0.04 1.68 1.69 3d26B1 LYS 474 HE2 -0.06 -0.06 -0.16 -0.04 2.99 2.67 3d26B1 LYS 474 HE3 0.11 -0.09 -0.21 -0.04 2.99 2.75 3d26B1 ALA 475 H -0.05 0.67 0.35 -0.55 8.40 8.83 3d26B1 ALA 475 HA 0.06 0.29 1.06 -0.75 4.34 4.99 3d26B1 ALA 475 HB3 0.03 -0.02 0.01 -0.04 1.41 1.40 3d26B1 TYR 476 H -0.08 0.66 0.36 -0.55 8.29 8.67 3d26B1 TYR 476 HA -0.11 0.26 1.02 -0.75 4.56 4.98 3d26B1 TYR 476 HB2 -1.61 -0.02 0.13 -0.04 3.06 1.53 3d26B1 TYR 476 HB3 -0.46 -0.04 0.15 -0.04 2.98 2.58 3d26B1 TYR 476 HD2 0.00 0.07 -0.01 -0.04 7.15 7.17 3d26B1 TYR 476 HE2 0.18 -0.02 -0.07 -0.04 6.85 6.90 3d26B1 PRO 477 HA -0.06 0.02 0.45 -0.51 4.44 4.34 3d26B1 PRO 477 HB2 0.01 -0.02 0.15 -0.04 2.28 2.37 3d26B1 PRO 477 HB3 -0.05 0.04 0.10 -0.04 2.02 2.07 3d26B1 PRO 477 HG2 -0.01 0.03 0.15 -0.04 2.03 2.16 3d26B1 PRO 477 HG3 -0.09 0.13 0.04 -0.04 2.03 2.07 3d26B1 PRO 477 HD2 0.13 0.06 0.28 -0.04 3.68 4.11 3d26B1 PRO 477 HD3 -0.01 0.35 0.33 -0.04 3.65 4.28 3d26B1 ASP 478 H -0.04 0.14 -0.06 -0.55 8.40 7.89 3d26B1 ASP 478 HA 0.06 0.07 0.48 -0.75 4.63 4.49 3d26B1 ASP 478 HB2 0.33 -0.03 0.02 -0.04 2.71 2.99 3d26B1 ASP 478 HB3 0.21 0.10 0.04 -0.04 2.70 3.01 3d26B1 GLY 479 H -0.14 0.24 -0.41 -0.55 8.43 7.56 3d26B1 GLY 479 HA2 0.05 -0.01 0.29 -0.51 4.01 3.84 3d26B1 GLY 479 HA3 0.11 0.36 0.92 -0.51 4.01 4.89 3d26B1 PHE 480 H -0.41 0.09 0.20 -0.55 8.34 7.67 3d26B1 PHE 480 HA 0.07 0.30 0.88 -0.75 4.62 5.12 3d26B1 PHE 480 HB2 -0.03 0.07 0.13 -0.04 3.15 3.28 3d26B1 PHE 480 HB3 0.01 0.10 -0.15 -0.04 3.06 2.98 3d26B1 PHE 480 HD2 0.02 0.10 -0.37 -0.04 7.28 7.00 3d26B1 PHE 480 HE2 -0.39 0.00 -0.06 -0.04 7.38 6.89 3d26B1 PHE 480 HZ -0.28 0.01 0.01 -0.04 7.32 7.02 3d26B1 LEU 481 H 0.20 0.29 0.34 -0.55 8.37 8.65 3d26B1 LEU 481 HA 0.20 0.31 1.20 -0.75 4.35 5.31 3d26B1 LEU 481 HB2 0.06 -0.01 0.10 -0.04 1.64 1.75 3d26B1 LEU 481 HB3 0.07 0.00 0.14 -0.04 1.64 1.82 3d26B1 LEU 481 HG 0.13 0.12 0.04 -0.04 1.64 1.89 3d26B1 LEU 481 HD13 -0.65 -0.02 -0.08 -0.04 0.93 0.14 3d26B1 LEU 481 HD23 0.03 -0.04 -0.25 -0.04 0.89 0.59 3d26B1 THR 482 H 0.28 0.43 0.45 -0.55 8.28 8.90 3d26B1 THR 482 HA 0.15 0.40 0.97 -0.75 4.39 5.15 3d26B1 THR 482 HB 0.18 -0.06 0.12 -0.04 4.32 4.52 3d26B1 THR 482 HG23 0.29 -0.01 -0.34 -0.04 1.22 1.12 3d26B1 CYS 483 H 0.08 0.37 0.39 -0.55 8.50 8.80 3d26B1 CYS 483 HA -0.05 0.09 0.48 -0.75 4.58 4.35 3d26B1 CYS 483 HB2 -0.52 0.09 0.11 -0.04 2.97 2.60 3d26B1 CYS 483 HB3 -0.44 0.09 -0.13 -0.04 2.97 2.45 3d26B1 VAL 484 H -0.06 0.25 0.03 -0.55 8.24 7.91 3d26B1 VAL 484 HA 0.02 0.38 0.83 -0.75 4.13 4.60 3d26B1 VAL 484 HB -0.00 -0.04 -0.07 -0.04 2.12 1.96 3d26B1 VAL 484 HG13 0.02 0.04 -0.14 -0.04 0.97 0.84 3d26B1 VAL 484 HG23 0.06 0.01 -0.20 -0.04 0.95 0.77 3d26B1 PRO 485 HA -0.01 -0.14 0.54 -0.51 4.44 4.32 3d26B1 PRO 485 HB2 0.01 -0.05 0.13 -0.04 2.28 2.33 3d26B1 PRO 485 HB3 0.02 0.27 0.28 -0.04 2.02 2.55 3d26B1 PRO 485 HG2 0.03 0.04 0.10 -0.04 2.03 2.15 3d26B1 PRO 485 HG3 0.02 -0.04 0.04 -0.04 2.03 2.01 3d26B1 PRO 485 HD2 0.02 0.15 0.28 -0.04 3.68 4.09 3d26B1 PRO 485 HD3 0.02 0.42 0.34 -0.04 3.65 4.39 3d26B1 ASN 486 H -0.00 0.02 0.04 -0.55 8.53 8.04 3d26B1 ASN 486 HA 0.00 0.15 0.64 -0.75 4.76 4.80 3d26B1 ASN 486 HB2 -0.00 -0.06 0.01 -0.04 2.88 2.79 3d26B1 ASN 486 HB3 0.01 0.04 0.12 -0.04 2.79 2.91 3d26B1 ASN 486 HD21 0.01 -0.04 0.01 -0.04 7.03 6.96 3d26B1 ASN 486 HD22 0.01 0.06 0.01 -0.04 7.74 7.78 3d26B1 GLY 487 H 0.01 0.41 -0.42 -0.55 8.43 7.88 3d26B1 GLY 487 HA2 0.01 -0.01 0.31 -0.51 4.01 3.81 3d26B1 GLY 487 HA3 0.01 0.17 0.83 -0.51 4.01 4.51 3d26B1 ALA 488 H 0.01 0.11 0.13 -0.55 8.40 8.10 3d26B1 ALA 488 HA 0.01 0.15 0.41 -0.75 4.34 4.15 3d26B1 ALA 488 HB3 0.00 -0.00 0.10 -0.04 1.41 1.47 3d26B1 SER 489 H 0.01 0.05 -0.08 -0.55 8.46 7.89 3d26B1 SER 489 HA 0.02 0.14 0.43 -0.75 4.49 4.32 3d26B1 SER 489 HB2 0.01 0.04 0.12 -0.04 3.95 4.08 3d26B1 SER 489 HB3 0.01 -0.03 0.06 -0.04 3.93 3.92 3d26B1 SER 490 H 0.01 0.29 -1.08 -0.55 8.46 7.14 3d26B1 SER 490 HA 0.02 0.16 0.87 -0.75 4.49 4.79 3d26B1 SER 490 HB2 0.01 -0.02 -0.22 -0.04 3.95 3.68 3d26B1 SER 490 HB3 0.01 0.05 -0.42 -0.04 3.93 3.53 3d26B1 GLY 491 H 0.03 0.33 0.13 -0.55 8.43 8.37 3d26B1 GLY 491 HA2 0.02 -0.01 0.39 -0.51 4.01 3.90 3d26B1 GLY 491 HA3 0.04 0.14 0.31 -0.51 4.01 3.99 3d26B1 PRO 492 HA 0.11 0.09 0.35 -0.51 4.44 4.49 3d26B1 PRO 492 HB2 0.08 0.05 -0.10 -0.04 2.28 2.26 3d26B1 PRO 492 HB3 0.27 0.05 -0.00 -0.04 2.02 2.29 3d26B1 PRO 492 HG2 0.09 0.00 -0.20 -0.04 2.03 1.88 3d26B1 PRO 492 HG3 0.11 0.15 -0.08 -0.04 2.03 2.17 3d26B1 PRO 492 HD2 0.06 0.14 0.10 -0.04 3.68 3.94 3d26B1 PRO 492 HD3 0.04 0.15 0.05 -0.04 3.65 3.85 3d26B1 GLN 493 H 0.06 0.00 -0.56 -0.55 8.47 7.43 3d26B1 GLN 493 HA 0.05 0.44 0.34 -0.75 4.36 4.44 3d26B1 GLN 493 HB2 0.05 0.04 -0.13 -0.04 2.15 2.08 3d26B1 GLN 493 HB3 0.07 0.01 0.11 -0.04 2.02 2.17 3d26B1 GLN 493 HG2 0.07 -0.02 -0.07 -0.04 2.40 2.33 3d26B1 GLN 493 HG3 0.06 0.00 -0.24 -0.04 2.39 2.16 3d26B1 GLN 493 HE21 0.03 0.08 -0.11 -0.04 6.97 6.93 3d26B1 GLN 493 HE22 0.05 -0.03 -0.07 -0.04 7.69 7.59 3d26B1 GLN 494 H 0.05 0.36 -0.43 -0.55 8.47 7.90 3d26B1 GLN 494 HA 0.04 0.21 0.89 -0.75 4.36 4.75 3d26B1 GLN 494 HB2 0.04 -0.03 0.15 -0.04 2.15 2.27 3d26B1 GLN 494 HB3 0.04 -0.01 -0.01 -0.04 2.02 1.99 3d26B1 GLN 494 HG2 0.04 0.22 0.13 -0.04 2.40 2.76 3d26B1 GLN 494 HG3 0.04 0.02 -0.13 -0.04 2.39 2.28 3d26B1 GLN 494 HE21 0.02 -0.01 0.00 -0.04 6.97 6.95 3d26B1 GLN 494 HE22 0.03 0.08 -0.01 -0.04 7.69 7.75 3d26B1 LEU 495 H 0.05 0.43 -0.16 -0.55 8.37 8.15 3d26B1 LEU 495 HA 0.09 0.10 0.63 -0.75 4.35 4.42 3d26B1 LEU 495 HB2 0.01 0.08 0.06 -0.04 1.64 1.75 3d26B1 LEU 495 HB3 0.19 0.02 0.06 -0.04 1.64 1.87 3d26B1 LEU 495 HG 0.10 -0.07 -0.01 -0.04 1.64 1.61 3d26B1 LEU 495 HD13 0.21 -0.02 -0.06 -0.04 0.93 1.02 3d26B1 LEU 495 HD23 0.14 0.01 -0.01 -0.04 0.89 0.99 3d26B1 PRO 496 HA 0.07 0.09 0.51 -0.51 4.44 4.59 3d26B1 PRO 496 HB2 0.05 -0.12 0.00 -0.04 2.28 2.17 3d26B1 PRO 496 HB3 0.05 0.06 0.11 -0.04 2.02 2.20 3d26B1 PRO 496 HG2 0.12 -0.02 0.02 -0.04 2.03 2.11 3d26B1 PRO 496 HG3 0.04 0.02 0.05 -0.04 2.03 2.10 3d26B1 PRO 496 HD2 0.18 0.10 0.21 -0.04 3.68 4.13 3d26B1 PRO 496 HD3 0.08 0.17 0.19 -0.04 3.65 4.05 3d26B1 ILE 497 H 0.07 0.17 0.16 -0.55 8.25 8.10 3d26B1 ILE 497 HA 0.12 0.17 0.43 -0.75 4.18 4.15 3d26B1 ILE 497 HB 0.08 -0.00 -0.09 -0.04 1.89 1.83 3d26B1 ILE 497 HG12 0.05 -0.08 0.12 -0.04 1.49 1.53 3d26B1 ILE 497 HG13 0.05 -0.07 -0.19 -0.04 1.21 0.96 3d26B1 ILE 497 HG23 0.05 0.12 0.00 -0.04 0.93 1.07 3d26B1 ILE 497 HD13 0.04 0.07 0.03 -0.04 0.88 0.97 3d26B1 ASN 498 H 0.05 0.06 -0.26 -0.55 8.53 7.84 3d26B1 ASN 498 HA 0.03 0.05 0.75 -0.75 4.76 4.84 3d26B1 ASN 498 HB2 -0.01 0.01 0.20 -0.04 2.88 3.04 3d26B1 ASN 498 HB3 0.01 0.03 0.05 -0.04 2.79 2.84 3d26B1 ASN 498 HD21 0.00 0.01 0.02 -0.04 7.03 7.02 3d26B1 ASN 498 HD22 0.01 0.04 0.03 -0.04 7.74 7.77 3d26B1 GLY 499 H 0.09 0.23 -0.53 -0.55 8.43 7.68 3d26B1 GLY 499 HA2 -0.39 0.17 0.80 -0.51 4.01 4.08 3d26B1 GLY 499 HA3 -1.29 0.04 0.14 -0.51 4.01 2.40 3d26B1 VAL 500 H -0.46 0.69 0.27 -0.55 8.24 8.19 3d26B1 VAL 500 HA -0.02 0.23 0.90 -0.75 4.13 4.48 3d26B1 VAL 500 HB -0.10 -0.04 -0.02 -0.04 2.12 1.92 3d26B1 VAL 500 HG13 -0.00 0.04 -0.15 -0.04 0.97 0.83 3d26B1 VAL 500 HG23 -0.06 0.01 -0.50 -0.04 0.95 0.36 3d26B1 PHE 501 H 0.25 0.21 0.14 -0.55 8.34 8.39 3d26B1 PHE 501 HA 0.14 0.13 0.70 -0.75 4.62 4.83 3d26B1 PHE 501 HB2 0.25 0.03 0.09 -0.04 3.15 3.48 3d26B1 PHE 501 HB3 0.11 -0.02 -0.14 -0.04 3.06 2.97 3d26B1 PHE 501 HD2 0.14 -0.01 -0.16 -0.04 7.28 7.21 3d26B1 PHE 501 HE2 -0.89 0.02 -0.15 -0.04 7.38 6.32 3d26B1 PHE 501 HZ -1.00 0.01 -0.13 -0.04 7.32 6.16 3d26B1 VAL 502 H 0.24 0.38 0.25 -0.55 8.24 8.56 3d26B1 VAL 502 HA 0.05 0.18 0.98 -0.75 4.13 4.59 3d26B1 VAL 502 HB 0.06 -0.06 0.08 -0.04 2.12 2.17 3d26B1 VAL 502 HG13 -0.01 0.05 -0.11 -0.04 0.97 0.86 3d26B1 VAL 502 HG23 0.02 0.05 -0.28 -0.04 0.95 0.69 3d26B1 PHE 503 H 0.10 0.15 0.07 -0.55 8.34 8.10 3d26B1 PHE 503 HA -0.14 0.07 0.43 -0.75 4.62 4.23 3d26B1 PHE 503 HB2 -0.15 -0.03 -0.09 -0.04 3.15 2.84 3d26B1 PHE 503 HB3 -0.16 0.05 0.08 -0.04 3.06 2.99 3d26B1 PHE 503 HD2 -0.28 0.05 -0.15 -0.04 7.28 6.86 3d26B1 PHE 503 HE2 -0.82 -0.01 -0.29 -0.04 7.38 6.22 3d26B1 PHE 503 HZ -1.11 -0.10 -0.15 -0.04 7.32 5.92 3d26B1 VAL 504 H -0.56 0.58 0.40 -0.55 8.24 8.12 3d26B1 VAL 504 HA -0.45 0.15 0.79 -0.75 4.13 3.87 3d26B1 VAL 504 HB -0.53 -0.00 0.08 -0.04 2.12 1.63 3d26B1 VAL 504 HG13 -0.32 -0.02 -0.09 -0.04 0.97 0.49 3d26B1 VAL 504 HG23 -0.87 0.03 -0.10 -0.04 0.95 -0.03 3d26B1 SER 505 H -0.86 0.30 0.29 -0.55 8.46 7.64 3d26B1 SER 505 HA -0.87 0.11 0.37 -0.75 4.49 3.34 3d26B1 SER 505 HB2 -0.14 -0.03 0.15 -0.04 3.95 3.89 3d26B1 SER 505 HB3 -0.30 0.16 -0.29 -0.04 3.93 3.46 3d26B1 TRP 506 H 0.20 0.17 0.15 -0.55 7.97 7.94 3d26B1 TRP 506 HA 0.07 0.18 0.77 -0.75 4.62 4.90 3d26B1 TRP 506 HB2 0.05 -0.05 0.14 -0.04 3.23 3.32 3d26B1 TRP 506 HB3 -0.01 -0.02 -0.10 -0.04 3.23 3.06 3d26B1 TRP 506 HD1 0.15 -0.02 -0.00 -0.04 7.22 7.31 3d26B1 TRP 506 HE1 -0.09 0.00 -0.01 -0.04 10.20 10.06 3d26B1 TRP 506 HE3 -0.07 0.08 -0.35 -0.04 7.59 7.20 3d26B1 TRP 506 HZ2 -0.72 0.03 -0.04 -0.04 7.44 6.67 3d26B1 TRP 506 HZ3 -0.31 -0.06 -0.27 -0.04 7.13 6.44 3d26B1 TRP 506 HH2 -1.13 -0.01 -0.12 -0.04 7.19 5.88 3d26B1 VAL 507 H 0.15 0.69 0.38 -0.55 8.24 8.92 3d26B1 VAL 507 HA 0.04 0.18 0.99 -0.75 4.13 4.59 3d26B1 VAL 507 HB -0.05 -0.12 0.12 -0.04 2.12 2.02 3d26B1 VAL 507 HG13 -0.41 0.02 -0.20 -0.04 0.97 0.34 3d26B1 VAL 507 HG23 -0.20 0.05 -0.25 -0.04 0.95 0.51 3d26B1 SER 508 H 0.08 0.13 0.16 -0.55 8.46 8.29 3d26B1 SER 508 HA -0.06 0.04 0.59 -0.75 4.49 4.30 3d26B1 SER 508 HB2 -0.00 0.08 0.13 -0.04 3.95 4.11 3d26B1 SER 508 HB3 0.09 0.02 0.14 -0.04 3.93 4.13 3d26B1 ARG 509 H -0.17 0.12 0.20 -0.55 8.46 8.05 3d26B1 ARG 509 HA 0.08 0.16 0.24 -0.75 4.34 4.06 3d26B1 ARG 509 HB2 -0.03 -0.00 0.16 -0.04 1.90 1.99 3d26B1 ARG 509 HB3 -0.37 -0.08 0.08 -0.04 1.80 1.40 3d26B1 ARG 509 HG2 0.45 0.06 -0.12 -0.04 1.67 2.03 3d26B1 ARG 509 HG3 0.34 0.07 0.05 -0.04 1.67 2.09 3d26B1 ARG 509 HD2 0.59 -0.01 -0.08 -0.04 3.22 3.69 3d26B1 ARG 509 HD3 0.25 0.04 -0.01 -0.04 3.22 3.46 3d26B1 PHE 510 H -0.12 -0.10 -0.46 -0.55 8.34 7.10 3d26B1 PHE 510 HA 0.31 0.20 0.48 -0.75 4.62 4.86 3d26B1 PHE 510 HB2 0.06 -0.06 -0.06 -0.04 3.15 3.05 3d26B1 PHE 510 HB3 -0.05 0.03 0.03 -0.04 3.06 3.03 3d26B1 PHE 510 HD2 0.26 0.07 -0.18 -0.04 7.28 7.39 3d26B1 PHE 510 HE2 0.13 0.03 -0.03 -0.04 7.38 7.47 3d26B1 PHE 510 HZ 0.10 0.01 -0.01 -0.04 7.32 7.39 3d26B1 TYR 511 H 0.28 0.45 -0.31 -0.55 8.29 8.15 3d26B1 TYR 511 HA 0.07 -0.11 0.31 -0.75 4.56 4.08 3d26B1 TYR 511 HB2 0.05 -0.18 0.09 -0.04 3.06 2.98 3d26B1 TYR 511 HB3 0.07 0.10 -0.05 -0.04 2.98 3.06 3d26B1 TYR 511 HD2 0.05 -0.06 -0.27 -0.04 7.15 6.83 3d26B1 TYR 511 HE2 0.04 -0.06 -0.11 -0.04 6.85 6.68 3d26B1 GLN 512 H -0.39 0.01 0.17 -0.55 8.47 7.72 3d26B1 GLN 512 HA -0.02 0.16 0.68 -0.75 4.36 4.43 3d26B1 LEU 513 H 0.06 0.17 0.10 -0.55 8.37 8.15 3d26B1 LEU 513 HA 0.17 0.08 0.62 -0.75 4.35 4.47 3d26B1 LEU 513 HB2 0.09 -0.05 -0.03 -0.04 1.64 1.62 3d26B1 LEU 513 HB3 0.08 0.15 -0.08 -0.04 1.64 1.75 3d26B1 LEU 513 HG 0.30 0.06 -0.24 -0.04 1.64 1.72 3d26B1 LEU 513 HD13 0.14 0.00 -0.18 -0.04 0.93 0.85 3d26B1 LEU 513 HD23 0.23 0.02 -0.36 -0.04 0.89 0.74 3d26B1 LYS 514 H 0.09 0.07 0.14 -0.55 8.42 8.16 3d26B1 LYS 514 HA 0.00 0.09 0.56 -0.75 4.32 4.22 3d26B1 LYS 514 HB2 0.06 -0.10 0.18 -0.04 1.87 1.97 3d26B1 LYS 514 HB3 0.02 0.16 0.02 -0.04 1.79 1.95 3d26B1 LYS 514 HG2 0.01 0.02 0.06 -0.04 1.46 1.51 3d26B1 LYS 514 HG3 0.03 -0.03 0.03 -0.04 1.46 1.45 3d26B1 LYS 514 HD2 0.04 -0.04 0.02 -0.04 1.69 1.67 3d26B1 LYS 514 HD3 0.02 0.06 0.02 -0.04 1.68 1.73 3d26B1 LYS 514 HE2 0.01 0.00 0.01 -0.04 2.99 2.97 3d26B1 LYS 514 HE3 0.02 -0.03 0.00 -0.04 2.99 2.95 3d26B1 PRO 515 HA -0.02 0.25 0.43 -0.51 4.44 4.59 3d26B1 PRO 515 HB2 -0.00 -0.01 0.01 -0.04 2.28 2.23 3d26B1 PRO 515 HB3 -0.00 0.00 -0.06 -0.04 2.02 1.91 3d26B1 PRO 515 HG2 -0.00 -0.02 0.05 -0.04 2.03 2.02 3d26B1 PRO 515 HG3 -0.00 0.08 0.01 -0.04 2.03 2.08 3d26B1 PRO 515 HD2 -0.00 0.04 0.19 -0.04 3.68 3.87 3d26B1 PRO 515 HD3 -0.00 0.18 0.26 -0.04 3.65 4.05 3d26B1 VAL 516 H -0.04 0.40 0.19 -0.55 8.24 8.24 3d26B1 VAL 516 HA -0.01 0.25 0.73 -0.75 4.13 4.35 3d26B1 VAL 516 HB -0.15 0.05 -0.02 -0.04 2.12 1.95 3d26B1 VAL 516 HG13 -0.17 -0.00 -0.11 -0.04 0.97 0.64 3d26B1 VAL 516 HG23 0.03 0.00 -0.12 -0.04 0.95 0.82