============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 57 rings ring int. center anis. iso. HIS 1 0.900 -112.935 27.818 68.467 -99.200 -91.000 PHE 4 1.000 -103.980 24.440 62.527 -99.200 -91.000 HIS 21 0.900 -85.562 20.724 54.005 -99.200 -91.000 PHE 30 1.000 -78.705 25.519 56.023 -99.200 -91.000 TYR 37 0.840 -75.264 39.612 57.906 -99.200 -91.000 PHE 48 1.000 -74.001 25.310 64.115 -99.200 -91.000 TYR 52 0.840 -74.815 27.621 54.642 -99.200 -91.000 HIS 56 0.900 -71.934 42.759 55.959 -99.200 -91.000 PHE 76 1.000 -79.472 25.069 51.441 -99.200 -91.000 HIS 77 0.900 -78.176 20.107 42.424 -99.200 -91.000 TYR 80 0.840 -75.900 21.700 50.934 -99.200 -91.000 TYR 87 0.840 -77.943 26.444 42.271 -99.200 -91.000 TYR 90 0.840 -76.422 38.794 45.926 -99.200 -91.000 HIS 93 0.900 -78.116 53.603 34.642 -99.200 -91.000 HIS 95 0.900 -82.781 47.031 42.405 -99.200 -91.000 TYR 102 0.840 -72.028 32.855 46.976 -99.200 -91.000 HIS 110 0.900 -72.378 22.606 60.578 -99.200 -91.000 PHE 120 1.000 -75.967 29.297 37.594 -99.200 -91.000 HIS 127 0.900 -89.704 52.488 39.070 -99.200 -91.000 HIS 130 0.900 -95.264 45.962 42.404 -99.200 -91.000 PHE 137 1.000 -82.699 23.614 42.156 -99.200 -91.000 PHE 142 1.000 -85.553 20.662 33.943 -99.200 -91.000 TYR 144 0.840 -89.966 25.132 37.812 -99.200 -91.000 PHE 163 1.000 -84.208 36.718 31.451 -99.200 -91.000 TYR 180 0.840 -78.955 30.350 32.387 -99.200 -91.000 HIS 188 0.900 -91.235 31.144 24.190 -99.200 -91.000 PHE 189 1.000 -84.229 22.774 23.620 -99.200 -91.000 PHE 199 1.000 -92.599 26.249 32.636 -99.200 -91.000 HIS 201 0.900 -96.634 36.241 29.335 -99.200 -91.000 HIS 204 0.900 -99.780 42.388 37.044 -99.200 -91.000 HIS 214 0.900 -99.618 17.797 42.912 -99.200 -91.000 TYR 242 0.840 -95.206 22.631 29.273 -99.200 -91.000 PHE 251 1.000 -107.166 30.731 41.629 -99.200 -91.000 PHE 254 1.000 -105.973 34.601 47.885 -99.200 -91.000 PHE 263 1.000 -97.643 27.679 55.413 -99.200 -91.000 TYR 265 0.840 -98.409 20.828 58.076 -99.200 -91.000 TYR 274 0.840 -99.813 15.187 54.010 -99.200 -91.000 TYR 277 0.840 -102.321 24.445 47.415 -99.200 -91.000 PHE 279 1.000 -101.620 31.293 49.350 -99.200 -91.000 PHE 286 1.000 -101.028 32.491 59.604 -99.200 -91.000 TRP 298 1.040 -108.513 26.946 42.930 -99.200 -91.000 TRP6 298 1.020 -106.848 25.837 44.187 -99.200 -91.000 TYR 314 0.840 -100.125 36.707 72.544 -99.200 -91.000 PHE 315 1.000 -97.805 37.105 64.250 -99.200 -91.000 HIS 318 0.900 -93.712 44.220 60.610 -99.200 -91.000 PHE 322 1.000 -95.883 32.861 55.367 -99.200 -91.000 TYR 331 0.840 -90.034 26.413 61.854 -99.200 -91.000 HIS 339 0.900 -79.447 43.403 65.148 -99.200 -91.000 TYR 344 0.840 -93.306 34.397 67.292 -99.200 -91.000 TYR 379 0.840 -67.260 27.066 35.813 -99.200 -91.000 TRP 392 1.040 -54.829 25.956 35.389 -99.200 -91.000 TRP6 392 1.020 -53.056 24.887 36.532 -99.200 -91.000 PHE 396 1.000 -61.957 15.021 38.511 -99.200 -91.000 HIS 408 0.900 -32.973 22.181 26.133 -99.200 -91.000 TYR 424 0.840 -30.613 22.945 29.917 -99.200 -91.000 HIS 431 0.900 -32.469 31.098 24.237 -99.200 -91.000 HIS 432 0.900 -26.222 24.768 29.046 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3ho4A1 HIS 214 HA -0.01 -0.05 0.17 -0.75 4.63 3.98 3ho4A1 HIS 214 HB2 -0.01 0.02 0.03 -0.04 3.26 3.27 3ho4A1 HIS 214 HB3 -0.02 -0.04 -0.09 -0.04 3.20 3.01 3ho4A1 HIS 214 HD2 0.01 0.02 0.01 -0.04 6.97 6.96 3ho4A1 HIS 214 HE1 0.02 0.02 -0.01 -0.04 7.75 7.74 3ho4A1 ASN 215 H 0.42 0.06 0.04 -0.55 8.53 8.50 3ho4A1 ASN 215 HA -0.04 0.27 0.84 -0.75 4.76 5.08 3ho4A1 ASN 215 HB2 0.10 -0.04 0.08 -0.04 2.88 2.98 3ho4A1 ASN 215 HB3 0.02 0.01 0.18 -0.04 2.79 2.95 3ho4A1 ASN 215 HD21 0.00 0.00 -0.06 -0.04 7.03 6.94 3ho4A1 ASN 215 HD22 0.03 -0.03 -0.03 -0.04 7.74 7.67 3ho4A1 CYS 216 H -0.04 0.09 -0.27 -0.55 8.50 7.72 3ho4A1 CYS 216 HA 0.02 0.07 0.38 -0.75 4.58 4.29 3ho4A1 CYS 216 HB2 -0.09 0.00 -0.11 -0.04 2.97 2.72 3ho4A1 CYS 216 HB3 -0.03 0.09 -0.25 -0.04 2.97 2.74 3ho4A1 PHE 217 H 0.21 0.62 0.33 -0.55 8.34 8.95 3ho4A1 PHE 217 HA -0.07 0.21 0.92 -0.75 4.62 4.94 3ho4A1 PHE 217 HB2 -0.12 0.03 0.06 -0.04 3.15 3.09 3ho4A1 PHE 217 HB3 -0.13 -0.14 0.16 -0.04 3.06 2.90 3ho4A1 PHE 217 HD2 -0.10 0.04 -0.15 -0.04 7.28 7.02 3ho4A1 PHE 217 HE2 -0.10 -0.05 -0.08 -0.04 7.38 7.11 3ho4A1 PHE 217 HZ -0.07 -0.07 -0.10 -0.04 7.32 7.03 3ho4A1 CYS 218 H 0.11 0.17 0.24 -0.55 8.50 8.47 3ho4A1 CYS 218 HA 0.00 0.17 0.68 -0.75 4.58 4.67 3ho4A1 CYS 218 HB2 -0.03 0.02 -0.39 -0.04 2.97 2.54 3ho4A1 CYS 218 HB3 -0.01 -0.08 -0.02 -0.04 2.97 2.83 3ho4A1 ILE 219 H -0.03 0.68 0.23 -0.55 8.25 8.58 3ho4A1 ILE 219 HA -0.01 0.42 1.26 -0.75 4.18 5.09 3ho4A1 ILE 219 HB -0.01 -0.07 -0.13 -0.04 1.89 1.63 3ho4A1 ILE 219 HG12 -0.07 0.20 0.01 -0.04 1.49 1.59 3ho4A1 ILE 219 HG13 -0.12 -0.05 -0.28 -0.04 1.21 0.72 3ho4A1 ILE 219 HG23 -0.04 -0.01 -0.28 -0.04 0.93 0.55 3ho4A1 ILE 219 HD13 0.03 -0.03 -0.54 -0.04 0.88 0.29 3ho4A1 GLN 220 H 0.08 0.48 0.26 -0.55 8.47 8.73 3ho4A1 GLN 220 HA 0.07 0.17 0.98 -0.75 4.36 4.82 3ho4A1 GLN 220 HB2 0.01 0.01 -0.16 -0.04 2.15 1.97 3ho4A1 GLN 220 HB3 0.01 -0.06 0.06 -0.04 2.02 2.00 3ho4A1 GLN 220 HG2 0.00 -0.01 -0.09 -0.04 2.40 2.25 3ho4A1 GLN 220 HG3 0.02 0.08 -0.05 -0.04 2.39 2.40 3ho4A1 GLN 220 HE21 -0.00 -0.18 -0.59 -0.04 6.97 6.15 3ho4A1 GLN 220 HE22 0.01 0.03 -0.05 -0.04 7.69 7.64 3ho4A1 GLU 221 H 0.10 0.18 0.15 -0.55 8.60 8.49 3ho4A1 GLU 221 HA -0.26 0.04 0.59 -0.75 4.29 3.90 3ho4A1 GLU 221 HB2 -0.04 -0.03 0.09 -0.04 2.09 2.07 3ho4A1 GLU 221 HB3 -0.04 0.01 0.12 -0.04 1.99 2.04 3ho4A1 GLU 221 HG2 -0.18 0.05 -0.44 -0.04 2.34 1.73 3ho4A1 GLU 221 HG3 -0.53 0.03 -0.08 -0.04 2.34 1.72 3ho4A1 VAL 222 H -0.11 0.60 0.50 -0.55 8.24 8.68 3ho4A1 VAL 222 HA -0.03 0.16 0.89 -0.75 4.13 4.40 3ho4A1 VAL 222 HB 0.00 -0.06 0.08 -0.04 2.12 2.09 3ho4A1 VAL 222 HG13 -0.01 -0.01 -0.13 -0.04 0.97 0.78 3ho4A1 VAL 222 HG23 0.16 -0.00 -0.09 -0.04 0.95 0.98 3ho4A1 VAL 223 H -0.13 0.30 0.33 -0.55 8.24 8.19 3ho4A1 VAL 223 HA -0.09 0.23 0.93 -0.75 4.13 4.45 3ho4A1 VAL 223 HB -0.11 -0.10 0.01 -0.04 2.12 1.88 3ho4A1 VAL 223 HG13 -0.09 -0.00 -0.14 -0.04 0.97 0.69 3ho4A1 VAL 223 HG23 -0.10 0.00 -0.23 -0.04 0.95 0.58 3ho4A1 SER 224 H -0.08 0.23 0.17 -0.55 8.46 8.23 3ho4A1 SER 224 HA -0.10 0.20 0.89 -0.75 4.49 4.72 3ho4A1 SER 224 HB2 -0.05 -0.03 0.15 -0.04 3.95 3.98 3ho4A1 SER 224 HB3 -0.10 -0.00 -0.08 -0.04 3.93 3.71 3ho4A1 GLY 225 H -0.04 0.16 0.13 -0.55 8.43 8.13 3ho4A1 GLY 225 HA2 -0.01 0.24 0.44 -0.51 4.01 4.18 3ho4A1 GLY 225 HA3 -0.01 -0.00 0.47 -0.51 4.01 3.95 3ho4A1 LEU 226 H -0.08 0.59 -0.19 -0.55 8.37 8.15 3ho4A1 LEU 226 HA -0.13 0.17 0.55 -0.75 4.35 4.19 3ho4A1 LEU 226 HB2 -0.09 -0.13 -0.29 -0.04 1.64 1.09 3ho4A1 LEU 226 HB3 -0.09 -0.05 -0.18 -0.04 1.64 1.28 3ho4A1 LEU 226 HG -0.09 0.07 -0.42 -0.04 1.64 1.16 3ho4A1 LEU 226 HD13 -0.08 -0.02 -0.36 -0.04 0.93 0.43 3ho4A1 LEU 226 HD23 -0.08 0.02 -0.20 -0.04 0.89 0.58 3ho4A1 ARG 227 H -0.19 0.21 -0.06 -0.55 8.46 7.86 3ho4A1 ARG 227 HA -0.30 0.06 0.95 -0.75 4.34 4.30 3ho4A1 ARG 227 HB2 -0.22 -0.01 0.02 -0.04 1.90 1.66 3ho4A1 ARG 227 HB3 -0.93 0.09 -0.00 -0.04 1.80 0.92 3ho4A1 ARG 227 HG2 -0.45 0.11 -0.06 -0.04 1.67 1.23 3ho4A1 ARG 227 HG3 -0.24 -0.07 0.08 -0.04 1.67 1.40 3ho4A1 ARG 227 HD2 -0.13 -0.06 -0.01 -0.04 3.22 2.98 3ho4A1 ARG 227 HD3 -0.15 0.07 -0.02 -0.04 3.22 3.08 3ho4A1 GLN 228 H -0.09 0.07 -0.05 -0.55 8.47 7.86 3ho4A1 GLN 228 HA -0.03 0.07 0.29 -0.75 4.36 3.94 3ho4A1 GLN 228 HB2 -0.01 -0.02 -0.25 -0.04 2.15 1.82 3ho4A1 GLN 228 HB3 0.01 -0.04 0.21 -0.04 2.02 2.16 3ho4A1 GLN 228 HG2 0.02 0.06 -0.01 -0.04 2.40 2.43 3ho4A1 GLN 228 HG3 0.01 -0.05 -0.03 -0.04 2.39 2.28 3ho4A1 GLN 228 HE21 0.05 0.03 0.02 -0.04 6.97 7.03 3ho4A1 GLN 228 HE22 0.06 0.03 -0.03 -0.04 7.69 7.71 3ho4A1 PRO 229 HA -0.02 0.24 0.57 -0.51 4.44 4.72 3ho4A1 PRO 229 HB2 -0.04 0.02 -0.20 -0.04 2.28 2.02 3ho4A1 PRO 229 HB3 -0.04 0.05 -0.09 -0.04 2.02 1.89 3ho4A1 PRO 229 HG2 -0.05 0.12 -0.05 -0.04 2.03 2.00 3ho4A1 PRO 229 HG3 -0.06 -0.06 -0.20 -0.04 2.03 1.67 3ho4A1 PRO 229 HD2 -0.05 0.16 -0.05 -0.04 3.68 3.69 3ho4A1 PRO 229 HD3 -0.06 -0.11 0.03 -0.04 3.65 3.46 3ho4A1 VAL 230 H 0.00 0.70 0.30 -0.55 8.24 8.70 3ho4A1 VAL 230 HA 0.00 0.16 0.71 -0.75 4.13 4.25 3ho4A1 VAL 230 HB 0.02 -0.08 -0.08 -0.04 2.12 1.94 3ho4A1 VAL 230 HG13 0.03 0.04 0.02 -0.04 0.97 1.02 3ho4A1 VAL 230 HG23 0.02 0.02 -0.20 -0.04 0.95 0.75 3ho4A1 GLY 231 H 0.00 0.23 0.23 -0.55 8.43 8.35 3ho4A1 GLY 231 HA2 -0.01 0.03 0.20 -0.51 4.01 3.72 3ho4A1 GLY 231 HA3 0.03 0.14 0.45 -0.51 4.01 4.11 3ho4A1 ALA 232 H 0.04 0.61 0.36 -0.55 8.40 8.86 3ho4A1 ALA 232 HA 0.03 0.24 0.79 -0.75 4.34 4.65 3ho4A1 ALA 232 HB3 -0.10 -0.03 -0.11 -0.04 1.41 1.13 3ho4A1 LEU 233 H 0.11 0.63 0.38 -0.55 8.37 8.96 3ho4A1 LEU 233 HA 0.11 0.16 0.63 -0.75 4.35 4.49 3ho4A1 LEU 233 HB2 0.06 -0.01 0.29 -0.04 1.64 1.93 3ho4A1 LEU 233 HB3 0.08 0.07 0.02 -0.04 1.64 1.77 3ho4A1 LEU 233 HG 0.23 -0.07 -0.26 -0.04 1.64 1.50 3ho4A1 LEU 233 HD13 0.09 0.04 0.03 -0.04 0.93 1.05 3ho4A1 LEU 233 HD23 0.06 -0.02 -0.10 -0.04 0.89 0.80 3ho4A1 HIS 234 H 0.06 0.22 0.22 -0.55 8.41 8.36 3ho4A1 HIS 234 HA 0.14 0.23 1.03 -0.75 4.63 5.27 3ho4A1 HIS 234 HB2 -0.02 0.02 0.21 -0.04 3.26 3.43 3ho4A1 HIS 234 HB3 0.01 -0.00 -0.04 -0.04 3.20 3.13 3ho4A1 HIS 234 HD2 0.02 0.10 -0.20 -0.04 6.97 6.85 3ho4A1 HIS 234 HE1 -0.00 0.08 0.05 -0.04 7.75 7.83 3ho4A1 SER 235 H -0.08 0.16 0.20 -0.55 8.46 8.20 3ho4A1 SER 235 HA -1.19 0.24 0.59 -0.75 4.49 3.38 3ho4A1 SER 235 HB2 -1.55 0.04 0.08 -0.04 3.95 2.48 3ho4A1 SER 235 HB3 -2.11 0.04 -0.03 -0.04 3.93 1.79 3ho4A1 GLY 236 H 0.29 0.04 -0.06 -0.55 8.43 8.15 3ho4A1 GLY 236 HA2 0.25 0.04 0.32 -0.51 4.01 4.11 3ho4A1 GLY 236 HA3 0.05 0.19 0.42 -0.51 4.01 4.16 3ho4A1 ASP 237 H 0.05 -0.03 -0.19 -0.55 8.40 7.68 3ho4A1 ASP 237 HA 0.08 0.27 0.84 -0.75 4.63 5.07 3ho4A1 ASP 237 HB2 0.13 0.06 0.14 -0.04 2.71 2.99 3ho4A1 ASP 237 HB3 0.24 0.06 -0.10 -0.04 2.70 2.85 3ho4A1 GLY 238 H 0.05 0.02 -0.10 -0.55 8.43 7.86 3ho4A1 GLY 238 HA2 0.02 0.05 0.28 -0.51 4.01 3.84 3ho4A1 GLY 238 HA3 0.03 0.27 0.73 -0.51 4.01 4.53 3ho4A1 SER 239 H 0.05 0.22 -0.29 -0.55 8.46 7.90 3ho4A1 SER 239 HA 0.02 0.01 0.47 -0.75 4.49 4.24 3ho4A1 SER 239 HB2 0.05 -0.05 0.04 -0.04 3.95 3.95 3ho4A1 SER 239 HB3 0.07 0.06 0.11 -0.04 3.93 4.13 3ho4A1 GLN 240 H -0.02 0.16 0.12 -0.55 8.47 8.19 3ho4A1 GLN 240 HA -0.04 0.09 0.42 -0.75 4.36 4.07 3ho4A1 GLN 240 HB2 -0.04 -0.02 0.17 -0.04 2.15 2.22 3ho4A1 GLN 240 HB3 -0.04 -0.03 0.21 -0.04 2.02 2.12 3ho4A1 GLN 240 HG2 -0.05 -0.05 -0.03 -0.04 2.40 2.22 3ho4A1 GLN 240 HG3 -0.03 0.14 -0.03 -0.04 2.39 2.44 3ho4A1 GLN 240 HE21 -0.02 0.22 -0.18 -0.04 6.97 6.95 3ho4A1 GLN 240 HE22 -0.02 0.09 -0.26 -0.04 7.69 7.46 3ho4A1 ARG 241 H -0.04 -0.03 -1.15 -0.55 8.46 6.68 3ho4A1 ARG 241 HA -0.24 0.14 0.43 -0.75 4.34 3.92 3ho4A1 ARG 241 HB2 -0.06 -0.03 -0.00 -0.04 1.90 1.77 3ho4A1 ARG 241 HB3 -0.48 0.02 -0.14 -0.04 1.80 1.16 3ho4A1 ARG 241 HG2 -0.48 0.03 -0.12 -0.04 1.67 1.06 3ho4A1 ARG 241 HG3 -0.24 -0.05 -0.08 -0.04 1.67 1.27 3ho4A1 ARG 241 HD2 0.28 0.06 -0.07 -0.04 3.22 3.45 3ho4A1 ARG 241 HD3 0.11 -0.10 -0.02 -0.04 3.22 3.17 3ho4A1 LEU 242 H -0.30 0.59 0.31 -0.55 8.37 8.42 3ho4A1 LEU 242 HA -0.04 0.21 0.92 -0.75 4.35 4.70 3ho4A1 LEU 242 HB2 -0.16 0.02 -0.02 -0.04 1.64 1.44 3ho4A1 LEU 242 HB3 -0.23 -0.03 0.14 -0.04 1.64 1.49 3ho4A1 LEU 242 HG -0.20 -0.01 -0.35 -0.04 1.64 1.04 3ho4A1 LEU 242 HD13 -0.08 0.02 -0.23 -0.04 0.93 0.60 3ho4A1 LEU 242 HD23 -0.65 -0.02 -0.20 -0.04 0.89 -0.02 3ho4A1 PHE 243 H 0.25 0.91 0.36 -0.55 8.34 9.30 3ho4A1 PHE 243 HA -0.06 0.24 0.87 -0.75 4.62 4.91 3ho4A1 PHE 243 HB2 0.12 0.06 0.11 -0.04 3.15 3.39 3ho4A1 PHE 243 HB3 0.08 -0.01 -0.09 -0.04 3.06 2.99 3ho4A1 PHE 243 HD2 -0.28 0.06 -0.11 -0.04 7.28 6.92 3ho4A1 PHE 243 HE2 -1.07 -0.02 -0.11 -0.04 7.38 6.14 3ho4A1 PHE 243 HZ -0.36 0.04 -0.09 -0.04 7.32 6.86 3ho4A1 ILE 244 H 0.02 0.76 0.37 -0.55 8.25 8.85 3ho4A1 ILE 244 HA 0.01 0.19 0.91 -0.75 4.18 4.53 3ho4A1 ILE 244 HB -0.03 -0.08 0.05 -0.04 1.89 1.79 3ho4A1 ILE 244 HG12 -0.12 0.00 -0.18 -0.04 1.49 1.15 3ho4A1 ILE 244 HG13 -0.12 0.03 -0.25 -0.04 1.21 0.83 3ho4A1 ILE 244 HG23 -0.04 0.00 -0.25 -0.04 0.93 0.60 3ho4A1 ILE 244 HD13 -0.13 -0.01 -0.19 -0.04 0.88 0.51 3ho4A1 LEU 245 H 0.03 0.77 0.35 -0.55 8.37 8.98 3ho4A1 LEU 245 HA 0.07 0.24 0.94 -0.75 4.35 4.84 3ho4A1 LEU 245 HB2 0.03 -0.18 0.05 -0.04 1.64 1.50 3ho4A1 LEU 245 HB3 0.04 0.10 -0.07 -0.04 1.64 1.67 3ho4A1 LEU 245 HG 0.04 -0.02 -0.18 -0.04 1.64 1.44 3ho4A1 LEU 245 HD13 0.02 0.02 -0.27 -0.04 0.93 0.66 3ho4A1 LEU 245 HD23 0.07 -0.00 -0.24 -0.04 0.89 0.68 3ho4A1 GLU 246 H 0.08 0.74 0.37 -0.55 8.60 9.25 3ho4A1 GLU 246 HA 0.02 0.23 0.95 -0.75 4.29 4.74 3ho4A1 GLU 246 HB2 0.18 -0.12 0.12 -0.04 2.09 2.23 3ho4A1 GLU 246 HB3 0.06 0.17 0.09 -0.04 1.99 2.27 3ho4A1 GLU 246 HG2 -0.03 -0.01 -0.29 -0.04 2.34 1.97 3ho4A1 GLU 246 HG3 0.02 0.02 -0.30 -0.04 2.34 2.03 3ho4A1 LYS 247 H 0.03 0.72 0.35 -0.55 8.42 8.97 3ho4A1 LYS 247 HA 0.03 0.15 0.28 -0.75 4.32 4.03 3ho4A1 LYS 247 HB2 0.03 0.14 0.13 -0.04 1.87 2.12 3ho4A1 LYS 247 HB3 0.03 -0.03 0.14 -0.04 1.79 1.89 3ho4A1 LYS 247 HG2 0.03 -0.11 0.01 -0.04 1.46 1.35 3ho4A1 LYS 247 HG3 0.03 0.11 0.12 -0.04 1.46 1.67 3ho4A1 LYS 247 HD2 0.03 0.10 -0.00 -0.04 1.69 1.77 3ho4A1 LYS 247 HD3 0.03 -0.00 0.02 -0.04 1.68 1.69 3ho4A1 LYS 247 HE2 0.03 -0.12 0.07 -0.04 2.99 2.93 3ho4A1 LYS 247 HE3 0.03 -0.22 -0.07 -0.04 2.99 2.68 3ho4A1 GLU 248 H 0.10 0.14 -0.09 -0.55 8.60 8.20 3ho4A1 GLU 248 HA 0.05 0.08 0.28 -0.75 4.29 3.95 3ho4A1 GLU 248 HB2 0.34 -0.04 -0.04 -0.04 2.09 2.30 3ho4A1 GLU 248 HB3 0.15 0.08 0.08 -0.04 1.99 2.25 3ho4A1 GLU 248 HG2 0.07 0.01 0.00 -0.04 2.34 2.39 3ho4A1 GLU 248 HG3 0.09 -0.00 0.02 -0.04 2.34 2.40 3ho4A1 GLY 249 H 0.04 0.24 -0.50 -0.55 8.43 7.66 3ho4A1 GLY 249 HA2 -0.12 0.06 0.17 -0.51 4.01 3.61 3ho4A1 GLY 249 HA3 -0.23 0.18 0.69 -0.51 4.01 4.15 3ho4A1 TYR 250 H 0.11 0.29 0.20 -0.55 8.29 8.33 3ho4A1 TYR 250 HA -0.01 0.32 1.04 -0.75 4.56 5.16 3ho4A1 TYR 250 HB2 -0.01 -0.09 0.05 -0.04 3.06 2.96 3ho4A1 TYR 250 HB3 0.01 0.06 0.02 -0.04 2.98 3.03 3ho4A1 TYR 250 HD2 -0.01 -0.02 -0.06 -0.04 7.15 7.02 3ho4A1 TYR 250 HE2 -0.05 0.02 -0.08 -0.04 6.85 6.70 3ho4A1 VAL 251 H 0.15 0.70 0.37 -0.55 8.24 8.91 3ho4A1 VAL 251 HA 0.15 0.38 0.83 -0.75 4.13 4.72 3ho4A1 VAL 251 HB 0.30 -0.12 0.07 -0.04 2.12 2.33 3ho4A1 VAL 251 HG13 0.37 0.01 -0.26 -0.04 0.97 1.04 3ho4A1 VAL 251 HG23 0.08 0.00 -0.22 -0.04 0.95 0.77 3ho4A1 LYS 252 H 0.10 0.67 0.30 -0.55 8.42 8.94 3ho4A1 LYS 252 HA 0.13 0.05 1.00 -0.75 4.32 4.75 3ho4A1 LYS 252 HB2 -0.01 -0.02 0.02 -0.04 1.87 1.82 3ho4A1 LYS 252 HB3 -0.01 0.08 0.00 -0.04 1.79 1.82 3ho4A1 LYS 252 HG2 0.01 0.12 -0.06 -0.04 1.46 1.49 3ho4A1 LYS 252 HG3 0.04 -0.10 -0.25 -0.04 1.46 1.12 3ho4A1 LYS 252 HD2 -0.05 -0.07 -0.12 -0.04 1.69 1.41 3ho4A1 LYS 252 HD3 -0.05 0.04 -0.10 -0.04 1.68 1.52 3ho4A1 LYS 252 HE2 -0.10 0.10 -0.06 -0.04 2.99 2.89 3ho4A1 LYS 252 HE3 -0.19 -0.05 -0.07 -0.04 2.99 2.64 3ho4A1 ILE 253 H 0.02 0.24 0.22 -0.55 8.25 8.18 3ho4A1 ILE 253 HA -0.40 0.27 1.00 -0.75 4.18 4.30 3ho4A1 ILE 253 HB 0.07 0.02 0.16 -0.04 1.89 2.10 3ho4A1 ILE 253 HG12 -1.12 -0.01 -0.13 -0.04 1.49 0.19 3ho4A1 ILE 253 HG13 -0.13 -0.08 -0.27 -0.04 1.21 0.68 3ho4A1 ILE 253 HG23 -0.51 -0.03 -0.25 -0.04 0.93 0.11 3ho4A1 ILE 253 HD13 0.25 0.04 -0.01 -0.04 0.88 1.12 3ho4A1 LEU 254 H -0.37 0.76 0.34 -0.55 8.37 8.56 3ho4A1 LEU 254 HA -0.32 0.32 1.01 -0.75 4.35 4.61 3ho4A1 LEU 254 HB2 -0.20 -0.02 -0.06 -0.04 1.64 1.32 3ho4A1 LEU 254 HB3 -0.24 -0.04 0.18 -0.04 1.64 1.50 3ho4A1 LEU 254 HG -0.18 0.12 -0.27 -0.04 1.64 1.27 3ho4A1 LEU 254 HD13 -0.17 0.01 -0.32 -0.04 0.93 0.41 3ho4A1 LEU 254 HD23 -0.16 -0.01 -0.14 -0.04 0.89 0.54 3ho4A1 THR 255 H -0.46 0.66 0.23 -0.55 8.28 8.16 3ho4A1 THR 255 HA -0.32 0.08 0.40 -0.75 4.39 3.80 3ho4A1 THR 255 HB -0.22 0.02 0.13 -0.04 4.32 4.21 3ho4A1 THR 255 HG23 -0.79 0.09 0.04 -0.04 1.22 0.52 3ho4A1 PRO 256 HA -0.08 0.19 0.49 -0.51 4.44 4.54 3ho4A1 PRO 256 HB2 -0.04 0.09 -0.00 -0.04 2.28 2.29 3ho4A1 PRO 256 HB3 -0.05 0.03 0.12 -0.04 2.02 2.08 3ho4A1 PRO 256 HG2 -0.05 0.06 0.06 -0.04 2.03 2.05 3ho4A1 PRO 256 HG3 -0.04 -0.07 0.07 -0.04 2.03 1.94 3ho4A1 PRO 256 HD2 -0.13 0.07 0.19 -0.04 3.68 3.77 3ho4A1 PRO 256 HD3 -0.11 0.08 -0.14 -0.04 3.65 3.44 3ho4A1 GLU 257 H -0.10 -0.02 -0.37 -0.55 8.60 7.56 3ho4A1 GLU 257 HA -0.05 0.18 0.48 -0.75 4.29 4.15 3ho4A1 GLU 257 HB2 -0.05 -0.04 0.03 -0.04 2.09 1.99 3ho4A1 GLU 257 HB3 -0.07 -0.04 -0.06 -0.04 1.99 1.78 3ho4A1 GLU 257 HG2 -0.03 -0.01 0.00 -0.04 2.34 2.27 3ho4A1 GLU 257 HG3 -0.04 0.04 0.06 -0.04 2.34 2.35 3ho4A1 GLY 258 H -0.13 0.33 -0.55 -0.55 8.43 7.54 3ho4A1 GLY 258 HA2 -0.10 0.09 0.13 -0.51 4.01 3.62 3ho4A1 GLY 258 HA3 -0.07 0.14 0.36 -0.51 4.01 3.93 3ho4A1 GLU 259 H -0.20 -0.07 0.01 -0.55 8.60 7.79 3ho4A1 GLU 259 HA -0.11 0.24 0.89 -0.75 4.29 4.56 3ho4A1 GLU 259 HB2 -0.21 -0.13 0.02 -0.04 2.09 1.73 3ho4A1 GLU 259 HB3 -0.09 0.07 -0.11 -0.04 1.99 1.82 3ho4A1 GLU 259 HG2 -0.07 0.07 -0.39 -0.04 2.34 1.90 3ho4A1 GLU 259 HG3 -0.05 -0.03 -0.11 -0.04 2.34 2.10 3ho4A1 ILE 260 H -0.10 0.22 0.10 -0.55 8.25 7.92 3ho4A1 ILE 260 HA -0.21 0.40 1.02 -0.75 4.18 4.63 3ho4A1 ILE 260 HB -0.07 -0.01 0.13 -0.04 1.89 1.90 3ho4A1 ILE 260 HG12 -0.12 -0.06 -0.12 -0.04 1.49 1.16 3ho4A1 ILE 260 HG13 -0.09 0.04 -0.05 -0.04 1.21 1.07 3ho4A1 ILE 260 HG23 -0.06 0.03 -0.16 -0.04 0.93 0.70 3ho4A1 ILE 260 HD13 -0.14 -0.00 -0.18 -0.04 0.88 0.52 3ho4A1 PHE 261 H -0.21 0.38 0.17 -0.55 8.34 8.13 3ho4A1 PHE 261 HA -0.07 -0.05 0.34 -0.75 4.62 4.08 3ho4A1 PHE 261 HB2 -0.07 -0.03 0.18 -0.04 3.15 3.19 3ho4A1 PHE 261 HB3 -0.04 0.05 -0.02 -0.04 3.06 3.00 3ho4A1 PHE 261 HD2 -0.13 0.02 0.00 -0.04 7.28 7.13 3ho4A1 PHE 261 HE2 -0.49 -0.01 -0.04 -0.04 7.38 6.80 3ho4A1 PHE 261 HZ -0.43 -0.02 -0.02 -0.04 7.32 6.81 3ho4A1 LYS 262 H 0.12 0.05 0.17 -0.55 8.42 8.20 3ho4A1 LYS 262 HA 0.03 0.10 0.31 -0.75 4.32 4.01 3ho4A1 LYS 262 HB2 0.03 -0.01 0.16 -0.04 1.87 2.00 3ho4A1 LYS 262 HB3 0.01 -0.05 0.10 -0.04 1.79 1.80 3ho4A1 LYS 262 HG2 0.01 0.04 -0.04 -0.04 1.46 1.42 3ho4A1 LYS 262 HG3 0.00 0.00 0.05 -0.04 1.46 1.48 3ho4A1 LYS 262 HD2 0.00 -0.02 0.01 -0.04 1.69 1.63 3ho4A1 LYS 262 HD3 0.00 -0.00 -0.07 -0.04 1.68 1.57 3ho4A1 LYS 262 HE2 -0.00 0.02 -0.02 -0.04 2.99 2.95 3ho4A1 LYS 262 HE3 -0.00 -0.00 0.00 -0.04 2.99 2.94 3ho4A1 GLU 263 H 0.03 -0.02 -0.16 -0.55 8.60 7.89 3ho4A1 GLU 263 HA 0.04 0.16 0.70 -0.75 4.29 4.43 3ho4A1 GLU 263 HB2 -0.00 -0.11 0.05 -0.04 2.09 1.99 3ho4A1 GLU 263 HB3 0.03 0.03 -0.03 -0.04 1.99 1.97 3ho4A1 GLU 263 HG2 0.01 -0.05 -0.02 -0.04 2.34 2.25 3ho4A1 GLU 263 HG3 0.04 0.14 0.02 -0.04 2.34 2.49 3ho4A1 PRO 264 HA 0.13 -0.02 0.57 -0.51 4.44 4.62 3ho4A1 PRO 264 HB2 0.14 -0.05 -0.13 -0.04 2.28 2.19 3ho4A1 PRO 264 HB3 0.21 0.03 0.01 -0.04 2.02 2.22 3ho4A1 PRO 264 HG2 0.13 -0.01 0.06 -0.04 2.03 2.17 3ho4A1 PRO 264 HG3 0.02 0.06 0.06 -0.04 2.03 2.13 3ho4A1 PRO 264 HD2 0.06 0.03 0.21 -0.04 3.68 3.94 3ho4A1 PRO 264 HD3 0.04 0.35 0.33 -0.04 3.65 4.32 3ho4A1 TYR 265 H 0.29 0.20 0.41 -0.55 8.29 8.63 3ho4A1 TYR 265 HA 0.15 0.27 0.61 -0.75 4.56 4.83 3ho4A1 TYR 265 HB2 0.25 -0.05 0.01 -0.04 3.06 3.23 3ho4A1 TYR 265 HB3 0.24 0.03 -0.08 -0.04 2.98 3.13 3ho4A1 TYR 265 HD2 0.28 0.09 -0.38 -0.04 7.15 7.10 3ho4A1 TYR 265 HE2 0.16 0.06 -0.26 -0.04 6.85 6.77 3ho4A1 LEU 266 H 0.17 0.44 0.15 -0.55 8.37 8.58 3ho4A1 LEU 266 HA -0.22 0.17 0.68 -0.75 4.35 4.23 3ho4A1 LEU 266 HB2 -0.28 0.04 -0.19 -0.04 1.64 1.17 3ho4A1 LEU 266 HB3 -0.03 -0.09 0.00 -0.04 1.64 1.48 3ho4A1 LEU 266 HG -0.30 -0.02 -0.30 -0.04 1.64 0.98 3ho4A1 LEU 266 HD13 -0.68 0.01 -0.11 -0.04 0.93 0.10 3ho4A1 LEU 266 HD23 -0.24 0.01 -0.21 -0.04 0.89 0.41 3ho4A1 ASP 267 H -0.13 0.26 0.00 -0.55 8.40 7.98 3ho4A1 ASP 267 HA -0.12 0.20 0.96 -0.75 4.63 4.91 3ho4A1 ASP 267 HB2 0.19 0.04 -0.02 -0.04 2.71 2.88 3ho4A1 ASP 267 HB3 0.03 0.03 0.15 -0.04 2.70 2.87 3ho4A1 ILE 268 H -0.31 0.77 0.15 -0.55 8.25 8.31 3ho4A1 ILE 268 HA -0.24 0.17 0.98 -0.75 4.18 4.34 3ho4A1 ILE 268 HB -0.39 -0.03 0.19 -0.04 1.89 1.62 3ho4A1 ILE 268 HG12 -0.33 -0.05 -0.15 -0.04 1.49 0.92 3ho4A1 ILE 268 HG13 -0.37 0.09 -0.05 -0.04 1.21 0.83 3ho4A1 ILE 268 HG23 -0.31 -0.01 -0.15 -0.04 0.93 0.41 3ho4A1 ILE 268 HD13 -0.76 0.00 -0.14 -0.04 0.88 -0.05 3ho4A1 HIS 269 H -0.29 0.08 -0.13 -0.55 8.41 7.52 3ho4A1 HIS 269 HA -0.29 0.30 0.37 -0.75 4.63 4.26 3ho4A1 HIS 269 HB2 -0.23 0.12 0.03 -0.04 3.26 3.13 3ho4A1 HIS 269 HB3 -1.04 -0.10 -0.09 -0.04 3.20 1.93 3ho4A1 HIS 269 HD2 0.00 0.06 -0.19 -0.04 6.97 6.79 3ho4A1 HIS 269 HE1 0.05 -0.01 -0.04 -0.04 7.75 7.71 3ho4A1 LYS 270 H -0.60 -0.04 -0.26 -0.55 8.42 6.97 3ho4A1 LYS 270 HA -0.19 0.17 0.66 -0.75 4.32 4.20 3ho4A1 LYS 270 HB2 -0.28 -0.07 0.07 -0.04 1.87 1.54 3ho4A1 LYS 270 HB3 -0.14 0.04 -0.02 -0.04 1.79 1.63 3ho4A1 LYS 270 HG2 -0.15 0.05 0.01 -0.04 1.46 1.33 3ho4A1 LYS 270 HG3 -0.71 -0.07 -0.05 -0.04 1.46 0.59 3ho4A1 LYS 270 HD2 -0.16 -0.01 -0.00 -0.04 1.69 1.47 3ho4A1 LYS 270 HD3 -0.08 0.01 -0.01 -0.04 1.68 1.57 3ho4A1 LYS 270 HE2 0.04 0.01 -0.02 -0.04 2.99 2.98 3ho4A1 LYS 270 HE3 -0.00 -0.02 -0.02 -0.04 2.99 2.90 3ho4A1 LEU 271 H -0.17 -0.04 -0.12 -0.55 8.37 7.49 3ho4A1 LEU 271 HA -0.00 0.02 0.41 -0.75 4.35 4.02 3ho4A1 LEU 271 HB2 -0.16 0.08 0.14 -0.04 1.64 1.65 3ho4A1 LEU 271 HB3 0.12 0.01 -0.04 -0.04 1.64 1.69 3ho4A1 LEU 271 HG -0.05 -0.09 0.04 -0.04 1.64 1.49 3ho4A1 LEU 271 HD13 0.06 -0.01 -0.00 -0.04 0.93 0.94 3ho4A1 LEU 271 HD23 0.04 0.01 -0.01 -0.04 0.89 0.89 3ho4A1 VAL 272 H -0.13 0.29 -0.15 -0.55 8.24 7.69 3ho4A1 VAL 272 HA 0.19 0.28 0.52 -0.75 4.13 4.36 3ho4A1 VAL 272 HB 0.12 -0.02 -0.06 -0.04 2.12 2.12 3ho4A1 VAL 272 HG13 -0.26 -0.05 -0.03 -0.04 0.97 0.59 3ho4A1 VAL 272 HG23 0.01 0.01 -0.43 -0.04 0.95 0.51 3ho4A1 GLN 273 H 0.06 0.45 0.09 -0.55 8.47 8.52 3ho4A1 GLN 273 HA 0.02 0.10 0.81 -0.75 4.36 4.53 3ho4A1 GLN 273 HB2 0.02 0.08 0.07 -0.04 2.15 2.28 3ho4A1 GLN 273 HB3 -0.01 -0.11 0.04 -0.04 2.02 1.89 3ho4A1 GLN 273 HG2 0.02 -0.03 -0.04 -0.04 2.40 2.31 3ho4A1 GLN 273 HG3 -0.01 -0.04 -0.26 -0.04 2.39 2.03 3ho4A1 GLN 273 HE21 0.03 -0.06 0.01 -0.04 6.97 6.90 3ho4A1 GLN 273 HE22 0.03 0.04 0.01 -0.04 7.69 7.73 3ho4A1 SER 274 H 0.02 0.19 -0.02 -0.55 8.46 8.11 3ho4A1 SER 274 HA 0.00 0.16 0.20 -0.75 4.49 4.10 3ho4A1 SER 274 HB2 0.03 -0.17 -0.04 -0.04 3.95 3.72 3ho4A1 SER 274 HB3 0.02 0.11 -0.15 -0.04 3.93 3.87 3ho4A1 GLY 275 H 0.02 0.05 0.03 -0.55 8.43 7.99 3ho4A1 GLY 275 HA2 0.02 -0.00 0.35 -0.51 4.01 3.87 3ho4A1 GLY 275 HA3 0.03 0.11 0.31 -0.51 4.01 3.95 3ho4A1 ILE 276 H 0.03 0.10 0.16 -0.55 8.25 7.99 3ho4A1 ILE 276 HA 0.03 0.21 0.80 -0.75 4.18 4.48 3ho4A1 ILE 276 HB 0.03 -0.02 0.13 -0.04 1.89 1.99 3ho4A1 ILE 276 HG12 0.03 0.01 0.07 -0.04 1.49 1.57 3ho4A1 ILE 276 HG13 0.03 -0.04 -0.09 -0.04 1.21 1.07 3ho4A1 ILE 276 HG23 0.03 0.03 0.01 -0.04 0.93 0.96 3ho4A1 ILE 276 HD13 0.03 0.00 -0.01 -0.04 0.88 0.85 3ho4A1 LYS 277 H 0.03 -0.01 -0.10 -0.55 8.42 7.78 3ho4A1 LYS 277 HA 0.03 0.20 0.68 -0.75 4.32 4.47 3ho4A1 LYS 277 HB2 0.02 0.15 0.12 -0.04 1.87 2.12 3ho4A1 LYS 277 HB3 0.02 -0.08 0.21 -0.04 1.79 1.90 3ho4A1 LYS 277 HG2 0.02 0.10 -0.14 -0.04 1.46 1.41 3ho4A1 LYS 277 HG3 0.03 -0.16 -0.39 -0.04 1.46 0.90 3ho4A1 LYS 277 HD2 0.02 0.03 -0.01 -0.04 1.69 1.69 3ho4A1 LYS 277 HD3 0.02 -0.00 0.00 -0.04 1.68 1.66 3ho4A1 LYS 277 HE2 0.02 0.02 -0.04 -0.04 2.99 2.95 3ho4A1 LYS 277 HE3 0.02 -0.02 -0.05 -0.04 2.99 2.90 3ho4A1 GLY 278 H 0.02 0.15 0.17 -0.55 8.43 8.23 3ho4A1 GLY 278 HA2 0.03 0.24 0.77 -0.51 4.01 4.53 3ho4A1 GLY 278 HA3 0.02 0.05 0.35 -0.51 4.01 3.92 3ho4A1 GLY 279 H 0.01 0.20 0.07 -0.55 8.43 8.17 3ho4A1 GLY 279 HA2 0.02 0.04 0.34 -0.51 4.01 3.89 3ho4A1 GLY 279 HA3 0.02 0.10 0.49 -0.51 4.01 4.11 3ho4A1 ASP 280 H 0.03 0.06 -1.17 -0.55 8.40 6.77 3ho4A1 ASP 280 HA 0.04 0.15 0.66 -0.75 4.63 4.73 3ho4A1 ASP 280 HB2 0.03 0.06 -0.02 -0.04 2.71 2.73 3ho4A1 ASP 280 HB3 0.03 -0.05 0.04 -0.04 2.70 2.68 3ho4A1 GLU 281 H 0.05 0.42 0.21 -0.55 8.60 8.74 3ho4A1 GLU 281 HA 0.04 0.06 0.13 -0.75 4.29 3.77 3ho4A1 GLU 281 HB2 0.07 0.20 0.28 -0.04 2.09 2.60 3ho4A1 GLU 281 HB3 0.07 0.02 0.01 -0.04 1.99 2.05 3ho4A1 GLU 281 HG2 0.06 0.06 0.10 -0.04 2.34 2.52 3ho4A1 GLU 281 HG3 0.05 0.02 0.04 -0.04 2.34 2.41 3ho4A1 ARG 282 H 0.01 0.12 -0.36 -0.55 8.46 7.68 3ho4A1 ARG 282 HA -0.08 0.14 -0.25 -0.75 4.34 3.40 3ho4A1 ARG 282 HB2 -0.02 -0.18 -0.15 -0.04 1.90 1.50 3ho4A1 ARG 282 HB3 -0.04 0.06 -0.30 -0.04 1.80 1.48 3ho4A1 ARG 282 HG2 -0.25 0.18 -0.03 -0.04 1.67 1.53 3ho4A1 ARG 282 HG3 -0.43 -0.02 -0.08 -0.04 1.67 1.10 3ho4A1 ARG 282 HD2 0.02 0.03 -0.14 -0.04 3.22 3.09 3ho4A1 ARG 282 HD3 0.02 -0.14 -0.12 -0.04 3.22 2.94 3ho4A1 GLY 283 H 0.01 0.02 -0.08 -0.55 8.43 7.83 3ho4A1 GLY 283 HA2 0.02 0.10 0.15 -0.51 4.01 3.77 3ho4A1 GLY 283 HA3 0.03 -0.01 0.40 -0.51 4.01 3.91 3ho4A1 LEU 284 H 0.03 0.61 0.29 -0.55 8.37 8.74 3ho4A1 LEU 284 HA 0.12 0.06 0.86 -0.75 4.35 4.64 3ho4A1 LEU 284 HB2 -0.03 -0.04 0.06 -0.04 1.64 1.58 3ho4A1 LEU 284 HB3 0.01 0.06 0.15 -0.04 1.64 1.82 3ho4A1 LEU 284 HG 0.03 -0.01 -0.46 -0.04 1.64 1.17 3ho4A1 LEU 284 HD13 0.03 0.05 -0.07 -0.04 0.93 0.90 3ho4A1 LEU 284 HD23 0.01 -0.03 -0.14 -0.04 0.89 0.68 3ho4A1 LEU 285 H 0.10 0.67 0.36 -0.55 8.37 8.96 3ho4A1 LEU 285 HA 0.04 0.15 0.54 -0.75 4.35 4.33 3ho4A1 LEU 285 HB2 0.05 -0.01 -0.05 -0.04 1.64 1.59 3ho4A1 LEU 285 HB3 0.04 0.03 -0.05 -0.04 1.64 1.62 3ho4A1 LEU 285 HG 0.06 -0.03 -0.16 -0.04 1.64 1.47 3ho4A1 LEU 285 HD13 0.04 0.04 -0.19 -0.04 0.93 0.78 3ho4A1 LEU 285 HD23 0.04 0.00 -0.24 -0.04 0.89 0.65 3ho4A1 SER 286 H 0.05 0.36 0.28 -0.55 8.46 8.60 3ho4A1 SER 286 HA 0.03 0.07 0.60 -0.75 4.49 4.43 3ho4A1 SER 286 HB2 0.03 0.07 -0.68 -0.04 3.95 3.32 3ho4A1 SER 286 HB3 0.01 0.16 -0.12 -0.04 3.93 3.94 3ho4A1 LEU 287 H -0.00 0.26 0.20 -0.55 8.37 8.28 3ho4A1 LEU 287 HA -0.06 0.29 1.00 -0.75 4.35 4.83 3ho4A1 LEU 287 HB2 -0.03 -0.07 -0.17 -0.04 1.64 1.32 3ho4A1 LEU 287 HB3 -0.10 -0.01 -0.08 -0.04 1.64 1.41 3ho4A1 LEU 287 HG -0.11 -0.00 -0.11 -0.04 1.64 1.37 3ho4A1 LEU 287 HD13 -0.07 -0.02 -0.20 -0.04 0.93 0.60 3ho4A1 LEU 287 HD23 -0.59 0.03 -0.13 -0.04 0.89 0.16 3ho4A1 ALA 288 H -0.12 0.62 0.31 -0.55 8.40 8.66 3ho4A1 ALA 288 HA -0.01 0.09 0.70 -0.75 4.34 4.37 3ho4A1 ALA 288 HB3 0.05 0.05 -0.16 -0.04 1.41 1.30 3ho4A1 PHE 289 H 0.20 0.17 0.12 -0.55 8.34 8.27 3ho4A1 PHE 289 HA 0.10 0.13 0.87 -0.75 4.62 4.96 3ho4A1 PHE 289 HB2 -0.17 0.03 0.10 -0.04 3.15 3.08 3ho4A1 PHE 289 HB3 -0.18 0.05 0.10 -0.04 3.06 2.99 3ho4A1 PHE 289 HD2 -0.58 0.09 -0.09 -0.04 7.28 6.66 3ho4A1 PHE 289 HE2 -0.59 0.02 -0.23 -0.04 7.38 6.54 3ho4A1 PHE 289 HZ -1.88 -0.03 -0.19 -0.04 7.32 5.18 3ho4A1 HIS 290 H 0.46 0.66 0.34 -0.55 8.41 9.33 3ho4A1 HIS 290 HA -0.33 0.14 0.43 -0.75 4.63 4.12 3ho4A1 HIS 290 HB2 0.28 0.20 0.14 -0.04 3.26 3.84 3ho4A1 HIS 290 HB3 0.15 -0.21 0.00 -0.04 3.20 3.10 3ho4A1 HIS 290 HD2 0.25 0.06 -0.02 -0.04 6.97 7.22 3ho4A1 HIS 290 HE1 -0.05 0.03 -0.03 -0.04 7.75 7.66 3ho4A1 PRO 291 HA -0.11 0.12 0.49 -0.51 4.44 4.42 3ho4A1 PRO 291 HB2 -0.29 -0.01 0.00 -0.04 2.28 1.94 3ho4A1 PRO 291 HB3 -0.18 0.03 0.12 -0.04 2.02 1.95 3ho4A1 PRO 291 HG2 -0.67 0.06 0.11 -0.04 2.03 1.48 3ho4A1 PRO 291 HG3 -0.48 0.10 0.10 -0.04 2.03 1.70 3ho4A1 PRO 291 HD2 -2.04 0.06 0.21 -0.04 3.68 1.87 3ho4A1 PRO 291 HD3 -2.26 0.21 0.19 -0.04 3.65 1.75 3ho4A1 ASN 292 H 0.41 0.08 -0.52 -0.55 8.53 7.95 3ho4A1 ASN 292 HA 0.10 0.24 0.86 -0.75 4.76 5.21 3ho4A1 ASN 292 HB2 0.29 0.06 0.05 -0.04 2.88 3.24 3ho4A1 ASN 292 HB3 0.08 -0.10 0.23 -0.04 2.79 2.96 3ho4A1 ASN 292 HD21 0.03 0.01 -0.04 -0.04 7.03 6.99 3ho4A1 ASN 292 HD22 0.10 0.02 -0.04 -0.04 7.74 7.78 3ho4A1 TYR 293 H 0.26 0.70 -0.18 -0.55 8.29 8.52 3ho4A1 TYR 293 HA 0.10 -0.15 0.48 -0.75 4.56 4.23 3ho4A1 TYR 293 HB2 0.20 0.05 0.17 -0.04 3.06 3.44 3ho4A1 TYR 293 HB3 0.03 0.21 0.12 -0.04 2.98 3.30 3ho4A1 TYR 293 HD2 0.11 0.03 -0.22 -0.04 7.15 7.03 3ho4A1 TYR 293 HE2 0.14 0.00 -0.16 -0.04 6.85 6.79 3ho4A1 LYS 294 H 0.15 0.21 -0.21 -0.55 8.42 8.00 3ho4A1 LYS 294 HA 0.00 0.04 0.34 -0.75 4.32 3.95 3ho4A1 LYS 294 HB2 0.08 0.02 0.14 -0.04 1.87 2.07 3ho4A1 LYS 294 HB3 0.04 -0.01 0.04 -0.04 1.79 1.81 3ho4A1 LYS 294 HG2 0.01 -0.01 -0.09 -0.04 1.46 1.33 3ho4A1 LYS 294 HG3 0.03 -0.00 0.13 -0.04 1.46 1.57 3ho4A1 LYS 294 HD2 0.04 0.07 0.09 -0.04 1.69 1.85 3ho4A1 LYS 294 HD3 0.03 -0.04 0.01 -0.04 1.68 1.64 3ho4A1 LYS 294 HE2 0.01 -0.06 0.00 -0.04 2.99 2.91 3ho4A1 LYS 294 HE3 0.02 -0.01 0.04 -0.04 2.99 3.00 3ho4A1 LYS 295 H -0.00 0.18 -0.39 -0.55 8.42 7.64 3ho4A1 LYS 295 HA -0.04 0.13 0.85 -0.75 4.32 4.50 3ho4A1 LYS 295 HB2 -0.00 0.05 0.15 -0.04 1.87 2.03 3ho4A1 LYS 295 HB3 -0.02 -0.01 -0.00 -0.04 1.79 1.72 3ho4A1 LYS 295 HG2 -0.01 -0.00 0.02 -0.04 1.46 1.42 3ho4A1 LYS 295 HG3 0.00 -0.03 -0.06 -0.04 1.46 1.33 3ho4A1 LYS 295 HD2 0.01 0.01 0.02 -0.04 1.69 1.69 3ho4A1 LYS 295 HD3 0.00 -0.00 0.01 -0.04 1.68 1.65 3ho4A1 LYS 295 HE2 -0.00 -0.02 -0.00 -0.04 2.99 2.93 3ho4A1 LYS 295 HE3 0.00 0.00 -0.01 -0.04 2.99 2.95 3ho4A1 ASN 296 H -0.06 0.52 0.18 -0.55 8.53 8.61 3ho4A1 ASN 296 HA -0.08 0.15 0.79 -0.75 4.76 4.87 3ho4A1 ASN 296 HB2 -0.09 0.04 0.08 -0.04 2.88 2.87 3ho4A1 ASN 296 HB3 -0.09 -0.00 0.00 -0.04 2.79 2.66 3ho4A1 ASN 296 HD21 -1.28 -0.16 -0.02 -0.04 7.03 5.53 3ho4A1 ASN 296 HD22 -0.29 0.44 0.14 -0.04 7.74 7.98 3ho4A1 GLY 297 H -0.29 0.62 -0.02 -0.55 8.43 8.19 3ho4A1 GLY 297 HA2 -1.17 0.02 0.37 -0.51 4.01 2.72 3ho4A1 GLY 297 HA3 -0.35 -0.01 0.33 -0.51 4.01 3.47 3ho4A1 LYS 298 H 0.14 -0.03 -0.06 -0.55 8.42 7.92 3ho4A1 LYS 298 HA 0.03 0.33 1.35 -0.75 4.32 5.27 3ho4A1 LYS 298 HB2 -0.02 -0.14 0.02 -0.04 1.87 1.68 3ho4A1 LYS 298 HB3 -0.09 0.03 -0.00 -0.04 1.79 1.69 3ho4A1 LYS 298 HG2 -0.09 0.10 0.03 -0.04 1.46 1.46 3ho4A1 LYS 298 HG3 -0.04 0.21 -0.16 -0.04 1.46 1.43 3ho4A1 LYS 298 HD2 -0.04 -0.16 -0.02 -0.04 1.69 1.44 3ho4A1 LYS 298 HD3 0.04 -0.02 0.00 -0.04 1.68 1.67 3ho4A1 LYS 298 HE2 -0.00 0.01 -0.08 -0.04 2.99 2.88 3ho4A1 LYS 298 HE3 0.06 -0.02 -0.10 -0.04 2.99 2.88 3ho4A1 LEU 299 H -0.07 0.73 0.36 -0.55 8.37 8.84 3ho4A1 LEU 299 HA -0.15 0.11 0.85 -0.75 4.35 4.41 3ho4A1 LEU 299 HB2 -0.09 -0.09 -0.06 -0.04 1.64 1.36 3ho4A1 LEU 299 HB3 -0.26 -0.02 -0.04 -0.04 1.64 1.29 3ho4A1 LEU 299 HG -0.01 -0.02 -0.18 -0.04 1.64 1.39 3ho4A1 LEU 299 HD13 0.18 -0.03 -0.31 -0.04 0.93 0.73 3ho4A1 LEU 299 HD23 -0.09 -0.01 -0.21 -0.04 0.89 0.54 3ho4A1 TYR 300 H -0.08 0.46 0.32 -0.55 8.29 8.44 3ho4A1 TYR 300 HA -0.09 0.23 0.82 -0.75 4.56 4.77 3ho4A1 TYR 300 HB2 -0.01 -0.00 0.04 -0.04 3.06 3.05 3ho4A1 TYR 300 HB3 -0.09 -0.00 -0.05 -0.04 2.98 2.80 3ho4A1 TYR 300 HD2 0.00 0.03 -0.23 -0.04 7.15 6.91 3ho4A1 TYR 300 HE2 0.07 -0.03 -0.09 -0.04 6.85 6.76 3ho4A1 VAL 301 H 0.04 0.76 0.33 -0.55 8.24 8.82 3ho4A1 VAL 301 HA 0.04 0.27 1.08 -0.75 4.13 4.76 3ho4A1 VAL 301 HB 0.18 -0.00 -0.06 -0.04 2.12 2.20 3ho4A1 VAL 301 HG13 0.22 -0.00 -0.25 -0.04 0.97 0.89 3ho4A1 VAL 301 HG23 -0.03 -0.03 -0.23 -0.04 0.95 0.62 3ho4A1 SER 302 H 0.08 0.62 0.37 -0.55 8.46 8.98 3ho4A1 SER 302 HA 0.02 0.37 1.15 -0.75 4.49 5.28 3ho4A1 SER 302 HB2 0.01 0.03 0.06 -0.04 3.95 4.01 3ho4A1 SER 302 HB3 0.01 -0.01 -0.00 -0.04 3.93 3.88 3ho4A1 TYR 303 H -0.17 0.62 0.33 -0.55 8.29 8.51 3ho4A1 TYR 303 HA -0.00 0.09 0.67 -0.75 4.56 4.56 3ho4A1 TYR 303 HB2 -0.01 0.14 0.08 -0.04 3.06 3.22 3ho4A1 TYR 303 HB3 -0.00 -0.04 -0.07 -0.04 2.98 2.82 3ho4A1 TYR 303 HD2 0.01 0.13 -0.40 -0.04 7.15 6.85 3ho4A1 TYR 303 HE2 0.04 0.01 -0.24 -0.04 6.85 6.63 3ho4A1 THR 304 H 0.09 0.60 0.27 -0.55 8.28 8.69 3ho4A1 THR 304 HA -0.06 0.09 0.74 -0.75 4.39 4.41 3ho4A1 THR 304 HB -0.09 0.60 0.32 -0.04 4.32 5.11 3ho4A1 THR 304 HG23 -0.51 -0.08 -0.03 -0.04 1.22 0.56 3ho4A1 THR 305 H 0.00 0.26 0.26 -0.55 8.28 8.26 3ho4A1 THR 305 HA 0.06 0.13 0.54 -0.75 4.39 4.36 3ho4A1 THR 305 HB 0.12 0.08 -0.26 -0.04 4.32 4.22 3ho4A1 THR 305 HG23 -0.04 0.01 0.03 -0.04 1.22 1.17 3ho4A1 HIS 315 HA -0.05 -0.04 0.18 -0.75 4.63 3.97 3ho4A1 HIS 315 HB2 -0.06 -0.00 0.05 -0.04 3.26 3.21 3ho4A1 HIS 315 HB3 -0.06 -0.02 -0.04 -0.04 3.20 3.04 3ho4A1 HIS 315 HD2 -0.02 0.01 -0.01 -0.04 6.97 6.90 3ho4A1 HIS 315 HE1 -0.02 -0.02 0.01 -0.04 7.75 7.68 3ho4A1 ASP 316 H -0.08 0.24 0.23 -0.55 8.40 8.24 3ho4A1 ASP 316 HA 0.03 -0.03 0.34 -0.75 4.63 4.20 3ho4A1 ASP 316 HB2 -0.09 0.07 0.16 -0.04 2.71 2.81 3ho4A1 ASP 316 HB3 -0.22 0.08 0.03 -0.04 2.70 2.54 3ho4A1 HIS 317 H -0.32 0.57 0.20 -0.55 8.41 8.32 3ho4A1 HIS 317 HA -0.02 0.17 0.96 -0.75 4.63 4.98 3ho4A1 HIS 317 HB2 0.00 -0.19 0.14 -0.04 3.26 3.17 3ho4A1 HIS 317 HB3 0.01 0.11 -0.20 -0.04 3.20 3.07 3ho4A1 HIS 317 HD2 0.02 -0.04 -0.23 -0.04 6.97 6.67 3ho4A1 HIS 317 HE1 0.03 -0.03 -0.12 -0.04 7.75 7.58 3ho4A1 ILE 318 H 0.10 0.03 0.26 -0.55 8.25 8.09 3ho4A1 ILE 318 HA 0.04 0.32 1.02 -0.75 4.18 4.81 3ho4A1 ILE 318 HB -0.01 -0.01 -0.21 -0.04 1.89 1.62 3ho4A1 ILE 318 HG12 -0.00 -0.01 -0.11 -0.04 1.49 1.33 3ho4A1 ILE 318 HG13 0.00 -0.09 0.11 -0.04 1.21 1.19 3ho4A1 ILE 318 HG23 -0.02 0.00 -0.42 -0.04 0.93 0.45 3ho4A1 ILE 318 HD13 -0.02 0.02 -0.09 -0.04 0.88 0.74 3ho4A1 LEU 319 H 0.07 0.85 0.23 -0.55 8.37 8.97 3ho4A1 LEU 319 HA 0.00 0.12 0.70 -0.75 4.35 4.41 3ho4A1 LEU 319 HB2 0.12 0.02 0.03 -0.04 1.64 1.77 3ho4A1 LEU 319 HB3 0.06 -0.07 0.15 -0.04 1.64 1.74 3ho4A1 LEU 319 HG 0.02 0.01 -0.16 -0.04 1.64 1.47 3ho4A1 LEU 319 HD13 0.07 -0.01 -0.17 -0.04 0.93 0.78 3ho4A1 LEU 319 HD23 0.01 0.01 -0.36 -0.04 0.89 0.50 3ho4A1 ARG 320 H -0.22 0.71 0.30 -0.55 8.46 8.69 3ho4A1 ARG 320 HA -0.09 0.22 0.73 -0.75 4.34 4.44 3ho4A1 ARG 320 HB2 -0.30 -0.00 0.01 -0.04 1.90 1.56 3ho4A1 ARG 320 HB3 -0.79 0.01 0.06 -0.04 1.80 1.04 3ho4A1 ARG 320 HG2 -0.17 -0.05 -0.15 -0.04 1.67 1.25 3ho4A1 ARG 320 HG3 -0.10 0.04 0.03 -0.04 1.67 1.60 3ho4A1 ARG 320 HD2 -0.33 0.03 -0.10 -0.04 3.22 2.78 3ho4A1 ARG 320 HD3 -0.06 -0.06 -0.11 -0.04 3.22 2.95 3ho4A1 VAL 321 H -0.04 0.58 0.34 -0.55 8.24 8.58 3ho4A1 VAL 321 HA -0.04 0.32 0.94 -0.75 4.13 4.60 3ho4A1 VAL 321 HB 0.01 -0.11 0.13 -0.04 2.12 2.11 3ho4A1 VAL 321 HG13 -0.01 0.00 -0.20 -0.04 0.97 0.72 3ho4A1 VAL 321 HG23 -0.03 0.01 -0.22 -0.04 0.95 0.67 3ho4A1 VAL 322 H -0.00 0.83 0.34 -0.55 8.24 8.86 3ho4A1 VAL 322 HA -0.13 0.11 0.93 -0.75 4.13 4.28 3ho4A1 VAL 322 HB -0.01 -0.03 -0.18 -0.04 2.12 1.86 3ho4A1 VAL 322 HG13 -0.24 -0.01 -0.17 -0.04 0.97 0.51 3ho4A1 VAL 322 HG23 0.07 0.04 -0.24 -0.04 0.95 0.77 3ho4A1 GLU 323 H -0.41 0.46 0.20 -0.55 8.60 8.31 3ho4A1 GLU 323 HA -0.41 0.17 1.18 -0.75 4.29 4.49 3ho4A1 GLU 323 HB2 -0.90 0.19 0.23 -0.04 2.09 1.56 3ho4A1 GLU 323 HB3 -0.77 -0.06 0.09 -0.04 1.99 1.21 3ho4A1 GLU 323 HG2 -0.25 0.06 0.11 -0.04 2.34 2.22 3ho4A1 GLU 323 HG3 -0.26 -0.00 -0.06 -0.04 2.34 1.98 3ho4A1 TYR 324 H -0.21 0.32 0.11 -0.55 8.29 7.96 3ho4A1 TYR 324 HA -0.12 0.27 0.68 -0.75 4.56 4.64 3ho4A1 TYR 324 HB2 -0.15 -0.08 -0.13 -0.04 3.06 2.67 3ho4A1 TYR 324 HB3 -0.12 0.02 -0.15 -0.04 2.98 2.69 3ho4A1 TYR 324 HD2 -0.09 0.02 -0.23 -0.04 7.15 6.82 3ho4A1 TYR 324 HE2 -0.04 0.10 -0.06 -0.04 6.85 6.82 3ho4A1 THR 325 H 0.10 0.24 0.15 -0.55 8.28 8.22 3ho4A1 THR 325 HA 0.03 0.32 1.10 -0.75 4.39 5.09 3ho4A1 THR 325 HB 0.01 -0.05 0.09 -0.04 4.32 4.33 3ho4A1 THR 325 HG23 -0.02 0.08 0.05 -0.04 1.22 1.29 3ho4A1 VAL 326 H 0.06 0.41 0.23 -0.55 8.24 8.39 3ho4A1 VAL 326 HA 0.02 -0.12 0.46 -0.75 4.13 3.74 3ho4A1 VAL 326 HB 0.07 0.23 -0.03 -0.04 2.12 2.34 3ho4A1 VAL 326 HG13 0.37 0.01 -0.13 -0.04 0.97 1.18 3ho4A1 VAL 326 HG23 -0.04 0.02 0.07 -0.04 0.95 0.96 3ho4A1 SER 327 H 0.00 0.55 0.46 -0.55 8.46 8.93 3ho4A1 SER 327 HA -0.01 0.01 0.62 -0.75 4.49 4.36 3ho4A1 SER 327 HB2 -0.01 0.01 0.06 -0.04 3.95 3.98 3ho4A1 SER 327 HB3 0.01 0.38 0.33 -0.04 3.93 4.61 3ho4A1 ARG 328 H -0.02 0.19 0.23 -0.55 8.46 8.30 3ho4A1 ARG 328 HA -0.03 0.10 0.59 -0.75 4.34 4.24 3ho4A1 ARG 328 HB2 -0.04 0.04 0.12 -0.04 1.90 1.98 3ho4A1 ARG 328 HB3 -0.03 0.12 0.12 -0.04 1.80 1.97 3ho4A1 ARG 328 HG2 -0.02 -0.12 0.12 -0.04 1.67 1.60 3ho4A1 ARG 328 HG3 -0.03 -0.06 -0.11 -0.04 1.67 1.43 3ho4A1 ARG 328 HD2 -0.03 -0.06 0.02 -0.04 3.22 3.11 3ho4A1 ARG 328 HD3 -0.04 0.10 0.04 -0.04 3.22 3.28 3ho4A1 LYS 329 H -0.02 -0.12 -0.40 -0.55 8.42 7.33 3ho4A1 LYS 329 HA -0.02 0.26 0.88 -0.75 4.32 4.69 3ho4A1 LYS 329 HB2 -0.01 -0.05 -0.00 -0.04 1.87 1.76 3ho4A1 LYS 329 HB3 -0.01 -0.01 0.05 -0.04 1.79 1.77 3ho4A1 LYS 329 HG2 -0.02 0.05 -0.01 -0.04 1.46 1.44 3ho4A1 LYS 329 HG3 -0.02 0.01 -0.32 -0.04 1.46 1.09 3ho4A1 LYS 329 HD2 -0.01 -0.04 -0.03 -0.04 1.69 1.57 3ho4A1 LYS 329 HD3 -0.01 -0.02 -0.01 -0.04 1.68 1.59 3ho4A1 LYS 329 HE2 -0.02 0.05 -0.04 -0.04 2.99 2.93 3ho4A1 LYS 329 HE3 -0.02 0.02 -0.05 -0.04 2.99 2.90 3ho4A1 ASN 330 H -0.01 0.10 -0.20 -0.55 8.53 7.88 3ho4A1 ASN 330 HA -0.02 0.22 0.72 -0.75 4.76 4.93 3ho4A1 ASN 330 HB2 0.00 0.08 -0.15 -0.04 2.88 2.76 3ho4A1 ASN 330 HB3 0.01 -0.01 0.10 -0.04 2.79 2.85 3ho4A1 ASN 330 HD21 0.00 0.00 -0.08 -0.04 7.03 6.91 3ho4A1 ASN 330 HD22 0.00 0.03 -0.06 -0.04 7.74 7.67 3ho4A1 PRO 331 HA 0.01 0.19 0.35 -0.51 4.44 4.48 3ho4A1 PRO 331 HB2 -0.30 -0.05 -0.23 -0.04 2.28 1.66 3ho4A1 PRO 331 HB3 -0.11 0.11 -0.38 -0.04 2.02 1.60 3ho4A1 PRO 331 HG2 -0.72 -0.03 -0.09 -0.04 2.03 1.15 3ho4A1 PRO 331 HG3 -0.18 0.13 -0.15 -0.04 2.03 1.78 3ho4A1 PRO 331 HD2 -0.08 0.10 0.13 -0.04 3.68 3.80 3ho4A1 PRO 331 HD3 -0.07 0.17 -0.11 -0.04 3.65 3.60 3ho4A1 HIS 332 H -0.01 0.03 -0.51 -0.55 8.41 7.38 3ho4A1 HIS 332 HA 0.33 0.17 0.68 -0.75 4.63 5.06 3ho4A1 HIS 332 HB2 -0.08 0.01 -0.03 -0.04 3.26 3.12 3ho4A1 HIS 332 HB3 0.08 -0.00 0.09 -0.04 3.20 3.32 3ho4A1 HIS 332 HD2 -0.14 0.03 -0.04 -0.04 6.97 6.77 3ho4A1 HIS 332 HE1 0.16 -0.09 -0.05 -0.04 7.75 7.73 3ho4A1 GLN 333 H 0.17 0.41 -0.23 -0.55 8.47 8.27 3ho4A1 GLN 333 HA 0.08 0.27 0.81 -0.75 4.36 4.76 3ho4A1 GLN 333 HB2 0.07 -0.15 -0.18 -0.04 2.15 1.85 3ho4A1 GLN 333 HB3 0.01 -0.07 -0.06 -0.04 2.02 1.86 3ho4A1 GLN 333 HG2 -0.02 0.05 0.04 -0.04 2.40 2.43 3ho4A1 GLN 333 HG3 0.05 0.26 0.14 -0.04 2.39 2.80 3ho4A1 GLN 333 HE21 0.01 -0.06 -0.02 -0.04 6.97 6.85 3ho4A1 GLN 333 HE22 -0.00 0.03 -0.01 -0.04 7.69 7.66 3ho4A1 VAL 334 H -0.35 0.69 0.26 -0.55 8.24 8.29 3ho4A1 VAL 334 HA -0.11 -0.01 0.87 -0.75 4.13 4.13 3ho4A1 VAL 334 HB -0.38 -0.06 -0.02 -0.04 2.12 1.62 3ho4A1 VAL 334 HG13 -0.12 0.03 -0.35 -0.04 0.97 0.49 3ho4A1 VAL 334 HG23 -0.89 0.08 -0.17 -0.04 0.95 -0.07 3ho4A1 ASP 335 H -0.03 0.31 0.12 -0.55 8.40 8.25 3ho4A1 ASP 335 HA -0.04 0.14 0.97 -0.75 4.63 4.95 3ho4A1 ASP 335 HB2 -0.01 -0.02 0.12 -0.04 2.71 2.77 3ho4A1 ASP 335 HB3 -0.01 -0.04 0.10 -0.04 2.70 2.71 3ho4A1 LEU 336 H -0.02 0.19 0.17 -0.55 8.37 8.16 3ho4A1 LEU 336 HA 0.09 0.09 0.15 -0.75 4.35 3.94 3ho4A1 LEU 336 HB2 0.00 0.02 0.06 -0.04 1.64 1.68 3ho4A1 LEU 336 HB3 0.01 0.03 0.10 -0.04 1.64 1.74 3ho4A1 LEU 336 HG -0.11 0.04 0.11 -0.04 1.64 1.64 3ho4A1 LEU 336 HD13 -0.06 0.00 0.09 -0.04 0.93 0.92 3ho4A1 LEU 336 HD23 -0.29 -0.03 -0.05 -0.04 0.89 0.48 3ho4A1 ARG 337 H 0.04 0.04 -0.38 -0.55 8.46 7.60 3ho4A1 ARG 337 HA 0.04 0.09 0.40 -0.75 4.34 4.12 3ho4A1 ARG 337 HB2 0.02 0.06 -0.04 -0.04 1.90 1.90 3ho4A1 ARG 337 HB3 0.02 0.06 0.11 -0.04 1.80 1.94 3ho4A1 ARG 337 HG2 0.01 0.00 0.02 -0.04 1.67 1.67 3ho4A1 ARG 337 HG3 0.01 -0.12 0.03 -0.04 1.67 1.55 3ho4A1 ARG 337 HD2 0.01 0.05 0.02 -0.04 3.22 3.25 3ho4A1 ARG 337 HD3 0.00 -0.03 0.02 -0.04 3.22 3.17 3ho4A1 THR 338 H 0.11 0.18 -0.51 -0.55 8.28 7.51 3ho4A1 THR 338 HA -0.01 0.21 0.59 -0.75 4.39 4.42 3ho4A1 THR 338 HB 0.05 -0.19 0.13 -0.04 4.32 4.27 3ho4A1 THR 338 HG23 0.00 0.02 0.06 -0.04 1.22 1.26 3ho4A1 ALA 339 H -0.06 0.24 -0.29 -0.55 8.40 7.74 3ho4A1 ALA 339 HA -0.94 0.07 0.45 -0.75 4.34 3.17 3ho4A1 ALA 339 HB3 -0.18 -0.02 0.05 -0.04 1.41 1.22 3ho4A1 ARG 340 H -0.36 0.24 0.21 -0.55 8.46 8.00 3ho4A1 ARG 340 HA -0.11 0.12 0.83 -0.75 4.34 4.42 3ho4A1 ARG 340 HB2 -0.14 0.19 -0.07 -0.04 1.90 1.84 3ho4A1 ARG 340 HB3 -0.09 -0.09 0.26 -0.04 1.80 1.84 3ho4A1 ARG 340 HG2 -0.14 0.03 -0.00 -0.04 1.67 1.51 3ho4A1 ARG 340 HG3 -0.35 -0.02 -0.00 -0.04 1.67 1.25 3ho4A1 ARG 340 HD2 0.41 -0.00 -0.02 -0.04 3.22 3.57 3ho4A1 ARG 340 HD3 -0.35 -0.01 -0.03 -0.04 3.22 2.80 3ho4A1 VAL 341 H -0.03 0.15 0.03 -0.55 8.24 7.84 3ho4A1 VAL 341 HA 0.01 -0.04 0.39 -0.75 4.13 3.74 3ho4A1 VAL 341 HB 0.02 0.02 0.05 -0.04 2.12 2.18 3ho4A1 VAL 341 HG13 0.03 0.00 -0.21 -0.04 0.97 0.75 3ho4A1 VAL 341 HG23 -0.02 -0.00 -0.06 -0.04 0.95 0.83 3ho4A1 PHE 342 H 0.20 0.59 0.51 -0.55 8.34 9.09 3ho4A1 PHE 342 HA 0.14 0.15 0.82 -0.75 4.62 4.98 3ho4A1 PHE 342 HB2 0.04 0.10 0.08 -0.04 3.15 3.32 3ho4A1 PHE 342 HB3 0.01 -0.06 -0.11 -0.04 3.06 2.85 3ho4A1 PHE 342 HD2 0.02 0.00 -0.34 -0.04 7.28 6.92 3ho4A1 PHE 342 HE2 0.10 -0.06 -0.02 -0.04 7.38 7.36 3ho4A1 PHE 342 HZ 0.25 -0.01 0.08 -0.04 7.32 7.59 3ho4A1 LEU 343 H 0.14 0.36 0.35 -0.55 8.37 8.68 3ho4A1 LEU 343 HA 0.16 0.18 0.82 -0.75 4.35 4.76 3ho4A1 LEU 343 HB2 0.03 -0.05 0.03 -0.04 1.64 1.60 3ho4A1 LEU 343 HB3 0.08 0.00 -0.07 -0.04 1.64 1.61 3ho4A1 LEU 343 HG -0.07 -0.03 -0.42 -0.04 1.64 1.07 3ho4A1 LEU 343 HD13 -0.23 -0.00 -0.16 -0.04 0.93 0.50 3ho4A1 LEU 343 HD23 -0.04 0.05 -0.05 -0.04 0.89 0.81 3ho4A1 GLU 344 H 0.12 0.22 0.02 -0.55 8.60 8.42 3ho4A1 GLU 344 HA 0.01 0.20 0.68 -0.75 4.29 4.43 3ho4A1 GLU 344 HB2 0.03 -0.00 0.05 -0.04 2.09 2.13 3ho4A1 GLU 344 HB3 0.01 0.00 -0.08 -0.04 1.99 1.88 3ho4A1 GLU 344 HG2 -0.02 0.02 -0.06 -0.04 2.34 2.24 3ho4A1 GLU 344 HG3 0.02 -0.03 -0.45 -0.04 2.34 1.84 3ho4A1 VAL 345 H 0.04 0.82 0.10 -0.55 8.24 8.65 3ho4A1 VAL 345 HA 0.06 0.06 0.81 -0.75 4.13 4.30 3ho4A1 VAL 345 HB 0.08 0.05 0.16 -0.04 2.12 2.37 3ho4A1 VAL 345 HG13 0.07 0.01 -0.13 -0.04 0.97 0.87 3ho4A1 VAL 345 HG23 0.24 -0.02 -0.13 -0.04 0.95 1.00 3ho4A1 ALA 346 H -0.02 0.11 0.22 -0.55 8.40 8.16 3ho4A1 ALA 346 HA -0.05 0.08 0.57 -0.75 4.34 4.19 3ho4A1 ALA 346 HB3 -0.06 -0.00 0.14 -0.04 1.41 1.45 3ho4A1 GLU 347 H -0.16 0.78 0.53 -0.55 8.60 9.20 3ho4A1 GLU 347 HA -0.11 0.17 0.93 -0.75 4.29 4.52 3ho4A1 GLU 347 HB2 -0.11 -0.01 0.02 -0.04 2.09 1.94 3ho4A1 GLU 347 HB3 -0.65 0.02 0.01 -0.04 1.99 1.33 3ho4A1 GLU 347 HG2 0.02 -0.00 0.02 -0.04 2.34 2.34 3ho4A1 GLU 347 HG3 -0.03 0.02 0.18 -0.04 2.34 2.47 3ho4A1 LEU 348 H -0.15 0.20 0.23 -0.55 8.37 8.10 3ho4A1 LEU 348 HA -0.22 0.04 0.85 -0.75 4.35 4.26 3ho4A1 LEU 348 HB2 -0.33 0.05 0.16 -0.04 1.64 1.48 3ho4A1 LEU 348 HB3 -0.44 -0.06 0.12 -0.04 1.64 1.22 3ho4A1 LEU 348 HG -0.11 -0.00 -0.05 -0.04 1.64 1.43 3ho4A1 LEU 348 HD13 -0.07 0.01 0.05 -0.04 0.93 0.88 3ho4A1 LEU 348 HD23 -0.08 0.03 0.02 -0.04 0.89 0.82 3ho4A1 HIS 349 H -0.09 0.16 0.17 -0.55 8.41 8.09 3ho4A1 HIS 349 HA -0.01 0.20 0.91 -0.75 4.63 4.97 3ho4A1 HIS 349 HB2 -0.04 0.29 0.10 -0.04 3.26 3.58 3ho4A1 HIS 349 HB3 -0.03 -0.25 0.17 -0.04 3.20 3.05 3ho4A1 HIS 349 HD2 -0.05 0.25 0.06 -0.04 6.97 7.19 3ho4A1 HIS 349 HE1 -0.03 -0.03 -0.03 -0.04 7.75 7.62 3ho4A1 ARG 350 H 0.16 0.10 0.11 -0.55 8.46 8.28 3ho4A1 ARG 350 HA 0.27 0.30 0.85 -0.75 4.34 5.01 3ho4A1 ARG 350 HB2 0.10 -0.00 0.07 -0.04 1.90 2.03 3ho4A1 ARG 350 HB3 0.10 -0.16 0.17 -0.04 1.80 1.88 3ho4A1 ARG 350 HG2 0.22 0.09 -0.17 -0.04 1.67 1.77 3ho4A1 ARG 350 HG3 0.17 -0.01 -0.53 -0.04 1.67 1.27 3ho4A1 ARG 350 HD2 0.09 -0.02 -0.05 -0.04 3.22 3.19 3ho4A1 ARG 350 HD3 0.08 -0.08 -0.06 -0.04 3.22 3.13 3ho4A1 LYS 351 H 0.11 0.23 -0.02 -0.55 8.42 8.18 3ho4A1 LYS 351 HA 0.14 0.17 0.82 -0.75 4.32 4.69 3ho4A1 LYS 351 HB2 -0.02 -0.00 0.00 -0.04 1.87 1.81 3ho4A1 LYS 351 HB3 0.27 -0.05 0.11 -0.04 1.79 2.08 3ho4A1 LYS 351 HG2 0.09 0.12 0.10 -0.04 1.46 1.73 3ho4A1 LYS 351 HG3 0.06 -0.06 -0.37 -0.04 1.46 1.05 3ho4A1 LYS 351 HD2 -0.01 -0.03 -0.04 -0.04 1.69 1.58 3ho4A1 LYS 351 HD3 0.07 -0.03 0.01 -0.04 1.68 1.70 3ho4A1 LYS 351 HE2 0.04 0.00 0.03 -0.04 2.99 3.02 3ho4A1 LYS 351 HE3 0.03 0.06 -0.03 -0.04 2.99 3.02 3ho4A1 HIS 352 H 0.32 0.17 0.16 -0.55 8.41 8.51 3ho4A1 HIS 352 HA 0.05 0.02 0.41 -0.75 4.63 4.36 3ho4A1 HIS 352 HB2 0.06 0.08 0.07 -0.04 3.26 3.43 3ho4A1 HIS 352 HB3 0.07 0.12 0.37 -0.04 3.20 3.71 3ho4A1 HIS 352 HD2 0.03 0.07 -0.14 -0.04 6.97 6.89 3ho4A1 HIS 352 HE1 -0.01 0.03 -0.02 -0.04 7.75 7.71 3ho4A1 LEU 353 H 0.13 0.06 -0.19 -0.55 8.37 7.82 3ho4A1 LEU 353 HA 0.12 0.16 0.33 -0.75 4.35 4.21 3ho4A1 LEU 353 HB2 0.10 -0.07 -0.01 -0.04 1.64 1.61 3ho4A1 LEU 353 HB3 0.08 0.18 -0.19 -0.04 1.64 1.68 3ho4A1 LEU 353 HG 0.18 0.02 -0.12 -0.04 1.64 1.68 3ho4A1 LEU 353 HD13 0.20 0.03 -0.38 -0.04 0.93 0.74 3ho4A1 LEU 353 HD23 0.04 0.03 -0.19 -0.04 0.89 0.73 3ho4A1 GLY 354 H 0.07 -0.01 -0.01 -0.55 8.43 7.93 3ho4A1 GLY 354 HA2 0.05 0.10 0.29 -0.51 4.01 3.94 3ho4A1 GLY 354 HA3 0.06 0.03 0.62 -0.51 4.01 4.20 3ho4A1 GLY 355 H 0.04 0.72 0.36 -0.55 8.43 9.00 3ho4A1 GLY 355 HA2 0.02 0.01 0.18 -0.51 4.01 3.72 3ho4A1 GLY 355 HA3 0.03 0.15 0.71 -0.51 4.01 4.40 3ho4A1 GLN 356 H 0.03 0.05 -0.01 -0.55 8.47 7.99 3ho4A1 GLN 356 HA 0.02 0.03 0.32 -0.75 4.36 3.97 3ho4A1 GLN 356 HB2 0.04 0.01 0.09 -0.04 2.15 2.25 3ho4A1 GLN 356 HB3 0.03 -0.05 0.06 -0.04 2.02 2.01 3ho4A1 GLN 356 HG2 0.01 0.07 -0.21 -0.04 2.40 2.23 3ho4A1 GLN 356 HG3 0.03 0.02 0.06 -0.04 2.39 2.46 3ho4A1 GLN 356 HE21 0.03 0.41 0.08 -0.04 6.97 7.45 3ho4A1 GLN 356 HE22 0.02 0.03 -0.05 -0.04 7.69 7.65 3ho4A1 LEU 357 H -0.01 0.15 0.16 -0.55 8.37 8.13 3ho4A1 LEU 357 HA -0.07 0.34 1.01 -0.75 4.35 4.87 3ho4A1 LEU 357 HB2 -0.05 -0.05 -0.19 -0.04 1.64 1.31 3ho4A1 LEU 357 HB3 -0.14 0.02 -0.11 -0.04 1.64 1.37 3ho4A1 LEU 357 HG -0.01 0.05 -0.22 -0.04 1.64 1.41 3ho4A1 LEU 357 HD13 0.00 -0.03 -0.44 -0.04 0.93 0.42 3ho4A1 LEU 357 HD23 -0.05 0.02 -0.23 -0.04 0.89 0.58 3ho4A1 LEU 358 H -0.12 0.74 0.29 -0.55 8.37 8.73 3ho4A1 LEU 358 HA -0.05 0.10 0.69 -0.75 4.35 4.34 3ho4A1 LEU 358 HB2 -0.02 0.04 -0.05 -0.04 1.64 1.57 3ho4A1 LEU 358 HB3 -0.02 0.05 -0.18 -0.04 1.64 1.45 3ho4A1 LEU 358 HG -0.02 -0.03 -0.04 -0.04 1.64 1.51 3ho4A1 LEU 358 HD13 -0.18 0.00 -0.22 -0.04 0.93 0.50 3ho4A1 LEU 358 HD23 -0.02 -0.00 -0.28 -0.04 0.89 0.55 3ho4A1 PHE 359 H 0.15 0.17 0.13 -0.55 8.34 8.23 3ho4A1 PHE 359 HA 0.11 0.43 1.07 -0.75 4.62 5.48 3ho4A1 PHE 359 HB2 -0.02 -0.05 0.15 -0.04 3.15 3.20 3ho4A1 PHE 359 HB3 -0.03 0.05 -0.03 -0.04 3.06 3.01 3ho4A1 PHE 359 HD2 -0.03 0.06 -0.44 -0.04 7.28 6.83 3ho4A1 PHE 359 HE2 -0.03 -0.02 -0.29 -0.04 7.38 7.00 3ho4A1 PHE 359 HZ -0.71 -0.01 -0.15 -0.04 7.32 6.41 3ho4A1 GLY 360 H 0.37 0.26 0.09 -0.55 8.43 8.61 3ho4A1 GLY 360 HA2 0.02 0.11 0.70 -0.51 4.01 4.33 3ho4A1 GLY 360 HA3 0.04 0.04 0.33 -0.51 4.01 3.91 3ho4A1 PRO 361 HA 0.03 0.05 0.63 -0.51 4.44 4.63 3ho4A1 PRO 361 HB2 0.06 0.03 -0.03 -0.04 2.28 2.30 3ho4A1 PRO 361 HB3 0.04 -0.02 0.14 -0.04 2.02 2.13 3ho4A1 PRO 361 HG2 0.06 0.30 0.16 -0.04 2.03 2.51 3ho4A1 PRO 361 HG3 0.05 0.02 0.15 -0.04 2.03 2.22 3ho4A1 PRO 361 HD2 0.05 0.11 0.20 -0.04 3.68 4.01 3ho4A1 PRO 361 HD3 0.04 0.13 0.23 -0.04 3.65 4.01 3ho4A1 ASP 362 H -0.01 0.14 0.12 -0.55 8.40 8.09 3ho4A1 ASP 362 HA -0.11 0.00 0.34 -0.75 4.63 4.11 3ho4A1 ASP 362 HB2 0.12 0.33 0.20 -0.04 2.71 3.31 3ho4A1 ASP 362 HB3 -0.28 -0.03 0.11 -0.04 2.70 2.45 3ho4A1 GLY 363 H -0.03 0.29 -0.55 -0.55 8.43 7.60 3ho4A1 GLY 363 HA2 -0.07 0.09 0.26 -0.51 4.01 3.78 3ho4A1 GLY 363 HA3 -0.22 -0.03 0.25 -0.51 4.01 3.49 3ho4A1 PHE 364 H 0.03 0.14 -0.32 -0.55 8.34 7.64 3ho4A1 PHE 364 HA 0.08 0.07 0.78 -0.75 4.62 4.80 3ho4A1 PHE 364 HB2 -0.14 -0.03 -0.05 -0.04 3.15 2.89 3ho4A1 PHE 364 HB3 -0.26 0.08 -0.10 -0.04 3.06 2.75 3ho4A1 PHE 364 HD2 0.01 0.04 -0.08 -0.04 7.28 7.21 3ho4A1 PHE 364 HE2 0.05 -0.04 -0.04 -0.04 7.38 7.31 3ho4A1 PHE 364 HZ 0.04 -0.06 -0.02 -0.04 7.32 7.24 3ho4A1 LEU 365 H 0.07 0.53 0.34 -0.55 8.37 8.76 3ho4A1 LEU 365 HA -0.75 0.17 0.73 -0.75 4.35 3.73 3ho4A1 LEU 365 HB2 -0.47 -0.03 0.03 -0.04 1.64 1.13 3ho4A1 LEU 365 HB3 -0.22 -0.05 0.14 -0.04 1.64 1.46 3ho4A1 LEU 365 HG -0.32 -0.00 -0.41 -0.04 1.64 0.87 3ho4A1 LEU 365 HD13 -0.75 0.03 -0.17 -0.04 0.93 -0.00 3ho4A1 LEU 365 HD23 -0.33 -0.01 -0.16 -0.04 0.89 0.35 3ho4A1 TYR 366 H -0.01 0.91 0.46 -0.55 8.29 9.09 3ho4A1 TYR 366 HA -0.18 0.33 0.98 -0.75 4.56 4.94 3ho4A1 TYR 366 HB2 -0.13 -0.02 0.13 -0.04 3.06 3.01 3ho4A1 TYR 366 HB3 -0.11 -0.04 -0.08 -0.04 2.98 2.72 3ho4A1 TYR 366 HD2 -0.13 0.08 -0.05 -0.04 7.15 7.01 3ho4A1 TYR 366 HE2 -0.31 -0.00 -0.08 -0.04 6.85 6.41 3ho4A1 ILE 367 H -0.11 0.81 0.31 -0.55 8.25 8.72 3ho4A1 ILE 367 HA -0.05 0.31 0.91 -0.75 4.18 4.59 3ho4A1 ILE 367 HB -0.09 0.04 -0.04 -0.04 1.89 1.75 3ho4A1 ILE 367 HG12 -0.10 -0.05 -0.18 -0.04 1.49 1.12 3ho4A1 ILE 367 HG13 -0.07 -0.06 -0.35 -0.04 1.21 0.69 3ho4A1 ILE 367 HG23 -0.19 -0.01 -0.25 -0.04 0.93 0.44 3ho4A1 ILE 367 HD13 -0.02 0.01 -0.28 -0.04 0.88 0.55 3ho4A1 ILE 368 H 0.00 0.67 0.11 -0.55 8.25 8.48 3ho4A1 ILE 368 HA 0.03 0.19 0.96 -0.75 4.18 4.60 3ho4A1 ILE 368 HB 0.03 -0.05 0.08 -0.04 1.89 1.92 3ho4A1 ILE 368 HG12 0.06 0.02 -0.16 -0.04 1.49 1.37 3ho4A1 ILE 368 HG13 0.05 -0.02 -0.39 -0.04 1.21 0.80 3ho4A1 ILE 368 HG23 0.04 -0.02 -0.25 -0.04 0.93 0.66 3ho4A1 ILE 368 HD13 0.03 -0.01 -0.16 -0.04 0.88 0.70 3ho4A1 LEU 369 H 0.04 0.64 0.23 -0.55 8.37 8.74 3ho4A1 LEU 369 HA 0.05 0.09 0.97 -0.75 4.35 4.71 3ho4A1 LEU 369 HB2 0.07 0.10 0.15 -0.04 1.64 1.92 3ho4A1 LEU 369 HB3 0.08 0.08 -0.01 -0.04 1.64 1.75 3ho4A1 LEU 369 HG 0.02 -0.08 -0.41 -0.04 1.64 1.13 3ho4A1 LEU 369 HD13 0.07 0.00 -0.20 -0.04 0.93 0.76 3ho4A1 LEU 369 HD23 0.05 0.01 -0.13 -0.04 0.89 0.78 3ho4A1 GLY 370 H 0.08 0.33 -0.20 -0.55 8.43 8.10 3ho4A1 GLY 370 HA2 0.08 0.01 0.33 -0.51 4.01 3.91 3ho4A1 GLY 370 HA3 0.10 -0.05 0.12 -0.51 4.01 3.68 3ho4A1 ASP 371 H 0.20 0.68 0.35 -0.55 8.40 9.08 3ho4A1 ASP 371 HA 0.13 0.11 0.34 -0.75 4.63 4.46 3ho4A1 ASP 371 HB2 0.32 -0.15 0.20 -0.04 2.71 3.04 3ho4A1 ASP 371 HB3 0.10 0.07 -0.00 -0.04 2.70 2.82 3ho4A1 GLY 372 H 0.17 0.38 -0.03 -0.55 8.43 8.40 3ho4A1 GLY 372 HA2 0.10 0.08 0.12 -0.51 4.01 3.80 3ho4A1 GLY 372 HA3 0.07 0.12 0.49 -0.51 4.01 4.18 3ho4A1 ILE 374 HA 0.08 -0.14 0.41 -0.75 4.18 3.77 3ho4A1 ILE 374 HB 0.03 0.05 0.00 -0.04 1.89 1.92 3ho4A1 ILE 374 HG12 0.05 0.11 -0.36 -0.04 1.49 1.25 3ho4A1 ILE 374 HG13 0.02 0.06 -0.01 -0.04 1.21 1.24 3ho4A1 ILE 374 HG23 0.00 0.03 -0.04 -0.04 0.93 0.88 3ho4A1 ILE 374 HD13 0.01 -0.02 -0.02 -0.04 0.88 0.80 3ho4A1 THR 375 H 0.03 0.02 0.14 -0.55 8.28 7.93 3ho4A1 THR 375 HA 0.00 0.23 0.79 -0.75 4.39 4.66 3ho4A1 THR 375 HB -0.01 -0.08 0.15 -0.04 4.32 4.34 3ho4A1 THR 375 HG23 -0.02 0.03 -0.02 -0.04 1.22 1.17 3ho4A1 LEU 376 H -0.00 0.11 0.16 -0.55 8.37 8.09 3ho4A1 LEU 376 HA -0.01 0.18 0.40 -0.75 4.35 4.17 3ho4A1 LEU 376 HB2 -0.01 -0.11 0.15 -0.04 1.64 1.63 3ho4A1 LEU 376 HB3 -0.01 0.06 0.03 -0.04 1.64 1.67 3ho4A1 LEU 376 HG -0.00 -0.00 0.11 -0.04 1.64 1.70 3ho4A1 LEU 376 HD13 -0.01 -0.01 0.04 -0.04 0.93 0.91 3ho4A1 LEU 376 HD23 -0.02 0.03 0.02 -0.04 0.89 0.88 3ho4A1 ASP 377 H -0.01 -0.03 -0.11 -0.55 8.40 7.71 3ho4A1 ASP 377 HA -0.01 0.17 0.50 -0.75 4.63 4.53 3ho4A1 ASP 377 HB2 -0.01 -0.09 0.07 -0.04 2.71 2.64 3ho4A1 ASP 377 HB3 -0.01 0.03 -0.07 -0.04 2.70 2.62 3ho4A1 ASP 378 H -0.00 -0.04 -0.40 -0.55 8.40 7.41 3ho4A1 ASP 378 HA -0.01 0.03 0.36 -0.75 4.63 4.26 3ho4A1 ASP 378 HB2 0.01 -0.07 0.17 -0.04 2.71 2.78 3ho4A1 ASP 378 HB3 0.00 0.10 0.13 -0.04 2.70 2.89 3ho4A1 GLU 380 HA -0.02 -0.05 0.25 -0.75 4.29 3.72 3ho4A1 GLU 380 HB2 -0.01 -0.01 0.09 -0.04 2.09 2.12 3ho4A1 GLU 380 HB3 -0.01 -0.07 0.04 -0.04 1.99 1.91 3ho4A1 GLU 380 HG2 -0.01 -0.01 0.07 -0.04 2.34 2.35 3ho4A1 GLU 380 HG3 -0.01 0.11 0.09 -0.04 2.34 2.48 3ho4A1 GLU 381 H -0.01 0.35 -0.83 -0.55 8.60 7.56 3ho4A1 GLU 381 HA -0.01 0.04 0.55 -0.75 4.29 4.11 3ho4A1 GLU 381 HB2 -0.01 0.08 0.02 -0.04 2.09 2.13 3ho4A1 GLU 381 HB3 -0.02 0.06 0.05 -0.04 1.99 2.04 3ho4A1 GLU 381 HG2 -0.02 0.00 0.04 -0.04 2.34 2.32 3ho4A1 GLU 381 HG3 -0.01 -0.03 0.04 -0.04 2.34 2.30 3ho4A1 ASP 383 HA -0.02 -0.00 0.11 -0.75 4.63 3.96 3ho4A1 ASP 383 HB2 -0.01 -0.12 0.20 -0.04 2.71 2.74 3ho4A1 ASP 383 HB3 -0.02 -0.04 0.01 -0.04 2.70 2.61 3ho4A1 GLY 384 H -0.01 0.10 0.08 -0.55 8.43 8.05 3ho4A1 GLY 384 HA2 -0.04 0.01 0.47 -0.51 4.01 3.94 3ho4A1 GLY 384 HA3 -0.02 -0.05 0.39 -0.51 4.01 3.82 3ho4A1 LEU 385 H -0.06 0.44 0.28 -0.55 8.37 8.48 3ho4A1 LEU 385 HA -0.06 -0.02 0.76 -0.75 4.35 4.28 3ho4A1 LEU 385 HB2 -0.04 0.05 -0.34 -0.04 1.64 1.27 3ho4A1 LEU 385 HB3 -0.05 0.09 -0.09 -0.04 1.64 1.55 3ho4A1 LEU 385 HG -0.05 -0.04 -0.02 -0.04 1.64 1.49 3ho4A1 LEU 385 HD13 -0.04 -0.00 -0.05 -0.04 0.93 0.80 3ho4A1 LEU 385 HD23 -0.04 0.02 -0.15 -0.04 0.89 0.67 3ho4A1 SER 386 H -0.08 0.09 0.20 -0.55 8.46 8.12 3ho4A1 SER 386 HA -0.28 -0.00 0.37 -0.75 4.49 3.82 3ho4A1 SER 386 HB2 -0.11 0.03 0.24 -0.04 3.95 4.07 3ho4A1 SER 386 HB3 -0.06 0.15 0.23 -0.04 3.93 4.21 3ho4A1 ASP 387 H -0.51 0.10 0.17 -0.55 8.40 7.61 3ho4A1 ASP 387 HA -0.11 0.27 0.77 -0.75 4.63 4.81 3ho4A1 ASP 387 HB2 -0.26 -0.06 0.14 -0.04 2.71 2.48 3ho4A1 ASP 387 HB3 -0.08 -0.00 0.22 -0.04 2.70 2.79 3ho4A1 PHE 388 H -0.16 -0.02 -0.40 -0.55 8.34 7.22 3ho4A1 PHE 388 HA 0.02 0.21 0.70 -0.75 4.62 4.79 3ho4A1 PHE 388 HB2 0.01 -0.01 -0.06 -0.04 3.15 3.05 3ho4A1 PHE 388 HB3 0.01 0.03 -0.09 -0.04 3.06 2.97 3ho4A1 PHE 388 HD2 0.01 0.08 -0.17 -0.04 7.28 7.15 3ho4A1 PHE 388 HE2 0.02 -0.01 -0.08 -0.04 7.38 7.27 3ho4A1 PHE 388 HZ 0.05 0.03 -0.05 -0.04 7.32 7.31 3ho4A1 THR 389 H 0.09 0.04 -0.10 -0.55 8.28 7.76 3ho4A1 THR 389 HA 0.11 -0.06 0.28 -0.75 4.39 3.96 3ho4A1 THR 389 HB 0.07 0.34 -0.04 -0.04 4.32 4.65 3ho4A1 THR 389 HG23 0.06 -0.05 -0.01 -0.04 1.22 1.18 3ho4A1 GLY 390 H 0.09 0.17 -0.08 -0.55 8.43 8.07 3ho4A1 GLY 390 HA2 0.07 -0.02 0.13 -0.51 4.01 3.68 3ho4A1 GLY 390 HA3 0.07 0.08 0.69 -0.51 4.01 4.34 3ho4A1 SER 391 H 0.09 0.21 0.22 -0.55 8.46 8.43 3ho4A1 SER 391 HA 0.10 0.02 1.20 -0.75 4.49 5.05 3ho4A1 SER 391 HB2 0.12 0.03 0.02 -0.04 3.95 4.08 3ho4A1 SER 391 HB3 0.11 0.10 0.09 -0.04 3.93 4.18 3ho4A1 VAL 392 H 0.08 0.47 0.28 -0.55 8.24 8.52 3ho4A1 VAL 392 HA 0.06 0.17 1.00 -0.75 4.13 4.60 3ho4A1 VAL 392 HB 0.17 -0.04 0.15 -0.04 2.12 2.36 3ho4A1 VAL 392 HG13 0.21 -0.00 -0.23 -0.04 0.97 0.91 3ho4A1 VAL 392 HG23 0.09 -0.03 -0.10 -0.04 0.95 0.88 3ho4A1 LEU 393 H -0.04 0.98 0.39 -0.55 8.37 9.16 3ho4A1 LEU 393 HA -0.07 0.20 0.93 -0.75 4.35 4.65 3ho4A1 LEU 393 HB2 -0.22 -0.08 0.03 -0.04 1.64 1.33 3ho4A1 LEU 393 HB3 -0.33 0.04 -0.09 -0.04 1.64 1.22 3ho4A1 LEU 393 HG -0.13 0.09 -0.16 -0.04 1.64 1.40 3ho4A1 LEU 393 HD13 -0.57 -0.03 -0.15 -0.04 0.93 0.14 3ho4A1 LEU 393 HD23 -0.21 -0.02 -0.29 -0.04 0.89 0.34 3ho4A1 ARG 394 H -0.17 0.73 0.27 -0.55 8.46 8.73 3ho4A1 ARG 394 HA -0.48 0.29 1.01 -0.75 4.34 4.40 3ho4A1 ARG 394 HB2 -0.76 -0.05 -0.16 -0.04 1.90 0.89 3ho4A1 ARG 394 HB3 -0.36 0.09 0.06 -0.04 1.80 1.55 3ho4A1 ARG 394 HG2 -0.67 -0.05 -0.28 -0.04 1.67 0.64 3ho4A1 ARG 394 HG3 -0.95 -0.00 -0.18 -0.04 1.67 0.50 3ho4A1 ARG 394 HD2 -0.86 -0.05 -0.14 -0.04 3.22 2.12 3ho4A1 ARG 394 HD3 -1.53 -0.00 -0.13 -0.04 3.22 1.52 3ho4A1 LEU 395 H -0.28 0.56 0.24 -0.55 8.37 8.35 3ho4A1 LEU 395 HA -0.12 0.25 0.98 -0.75 4.35 4.71 3ho4A1 LEU 395 HB2 -0.16 -0.10 -0.09 -0.04 1.64 1.25 3ho4A1 LEU 395 HB3 -0.23 0.05 -0.09 -0.04 1.64 1.32 3ho4A1 LEU 395 HG -0.36 0.03 -0.29 -0.04 1.64 0.98 3ho4A1 LEU 395 HD13 -0.70 -0.01 -0.19 -0.04 0.93 -0.00 3ho4A1 LEU 395 HD23 -0.59 0.07 -0.30 -0.04 0.89 0.03 3ho4A1 ASP 396 H 0.10 0.78 0.27 -0.55 8.40 9.01 3ho4A1 ASP 396 HA 0.44 0.06 0.89 -0.75 4.63 5.26 3ho4A1 ASP 396 HB2 0.37 -0.05 -0.01 -0.04 2.71 2.97 3ho4A1 ASP 396 HB3 0.21 0.06 0.01 -0.04 2.70 2.94 3ho4A1 VAL 397 H 0.23 0.22 0.12 -0.55 8.24 8.27 3ho4A1 VAL 397 HA 0.23 0.17 0.58 -0.75 4.13 4.35 3ho4A1 VAL 397 HB 0.29 0.00 0.06 -0.04 2.12 2.43 3ho4A1 VAL 397 HG13 0.57 0.02 0.06 -0.04 0.97 1.57 3ho4A1 VAL 397 HG23 0.10 0.02 -0.04 -0.04 0.95 0.98 3ho4A1 ASP 398 H 0.18 0.06 -0.12 -0.55 8.40 7.97 3ho4A1 ASP 398 HA 0.16 0.04 0.45 -0.75 4.63 4.52 3ho4A1 ASP 398 HB2 0.09 0.00 0.14 -0.04 2.71 2.90 3ho4A1 ASP 398 HB3 0.09 0.01 0.02 -0.04 2.70 2.77 3ho4A1 THR 399 H 0.13 0.40 0.27 -0.55 8.28 8.52 3ho4A1 THR 399 HA 0.08 0.16 0.87 -0.75 4.39 4.74 3ho4A1 THR 399 HB 0.07 0.03 -0.12 -0.04 4.32 4.25 3ho4A1 THR 399 HG23 0.03 -0.01 -0.06 -0.04 1.22 1.14 3ho4A1 ASP 400 H 0.04 0.18 0.04 -0.55 8.40 8.12 3ho4A1 ASP 400 HA 0.02 0.16 0.64 -0.75 4.63 4.70 3ho4A1 ASP 400 HB2 0.02 0.02 0.08 -0.04 2.71 2.79 3ho4A1 ASP 400 HB3 0.00 0.02 0.07 -0.04 2.70 2.75 3ho4A1 CYS 402 HA 0.13 0.01 -0.01 -0.75 4.58 3.96 3ho4A1 CYS 402 HB2 -0.01 -0.03 0.00 -0.04 2.97 2.90 3ho4A1 CYS 402 HB3 -0.03 0.02 0.02 -0.04 2.97 2.94 3ho4A1 ASN 403 H 0.01 0.12 0.05 -0.55 8.53 8.16 3ho4A1 ASN 403 HA 0.02 0.15 0.82 -0.75 4.76 4.99 3ho4A1 ASN 403 HB2 -0.04 -0.09 0.16 -0.04 2.88 2.87 3ho4A1 ASN 403 HB3 -0.02 -0.01 0.07 -0.04 2.79 2.79 3ho4A1 ASN 403 HD21 -0.01 -0.01 -0.01 -0.04 7.03 6.95 3ho4A1 ASN 403 HD22 -0.03 -0.02 0.04 -0.04 7.74 7.69 3ho4A1 VAL 404 H -0.07 0.03 0.11 -0.55 8.24 7.76 3ho4A1 VAL 404 HA -0.17 0.18 0.62 -0.75 4.13 4.01 3ho4A1 VAL 404 HB -0.21 0.01 0.08 -0.04 2.12 1.96 3ho4A1 VAL 404 HG13 -0.52 -0.06 0.08 -0.04 0.97 0.42 3ho4A1 VAL 404 HG23 -0.13 -0.02 0.04 -0.04 0.95 0.80 3ho4A1 PRO 405 HA -0.13 0.06 0.35 -0.51 4.44 4.22 3ho4A1 PRO 405 HB2 -0.74 -0.01 -0.01 -0.04 2.28 1.48 3ho4A1 PRO 405 HB3 -0.12 0.04 0.07 -0.04 2.02 1.96 3ho4A1 PRO 405 HG2 -0.31 0.01 0.11 -0.04 2.03 1.79 3ho4A1 PRO 405 HG3 -0.09 0.14 0.15 -0.04 2.03 2.19 3ho4A1 PRO 405 HD2 -0.32 0.03 0.26 -0.04 3.68 3.62 3ho4A1 PRO 405 HD3 -0.14 0.22 0.23 -0.04 3.65 3.91 3ho4A1 TYR 406 H -0.60 0.15 -0.30 -0.55 8.29 7.00 3ho4A1 TYR 406 HA -0.18 0.16 0.60 -0.75 4.56 4.38 3ho4A1 TYR 406 HB2 -0.15 0.02 -0.13 -0.04 3.06 2.76 3ho4A1 TYR 406 HB3 -0.66 0.03 -0.17 -0.04 2.98 2.14 3ho4A1 TYR 406 HD2 -0.35 0.03 -0.34 -0.04 7.15 6.45 3ho4A1 TYR 406 HE2 -0.08 0.18 -0.05 -0.04 6.85 6.85 3ho4A1 SER 407 H 0.11 0.66 0.19 -0.55 8.46 8.88 3ho4A1 SER 407 HA -0.03 0.11 0.81 -0.75 4.49 4.62 3ho4A1 SER 407 HB2 0.07 -0.01 -0.03 -0.04 3.95 3.94 3ho4A1 SER 407 HB3 0.11 -0.04 -0.12 -0.04 3.93 3.83 3ho4A1 ILE 408 H -0.02 0.15 0.11 -0.55 8.25 7.94 3ho4A1 ILE 408 HA 0.05 0.15 0.71 -0.75 4.18 4.34 3ho4A1 ILE 408 HB -0.13 -0.04 0.13 -0.04 1.89 1.81 3ho4A1 ILE 408 HG12 0.06 0.09 -0.20 -0.04 1.49 1.40 3ho4A1 ILE 408 HG13 0.16 -0.07 -0.17 -0.04 1.21 1.09 3ho4A1 ILE 408 HG23 -0.01 0.06 -0.17 -0.04 0.93 0.77 3ho4A1 ILE 408 HD13 -0.01 -0.01 -0.02 -0.04 0.88 0.81 3ho4A1 PRO 409 HA 0.10 -0.05 0.16 -0.51 4.44 4.14 3ho4A1 PRO 409 HB2 -0.43 -0.01 -0.05 -0.04 2.28 1.75 3ho4A1 PRO 409 HB3 -1.29 -0.01 -0.05 -0.04 2.02 0.63 3ho4A1 PRO 409 HG2 -0.52 0.09 -0.30 -0.04 2.03 1.26 3ho4A1 PRO 409 HG3 -0.26 -0.06 -0.26 -0.04 2.03 1.41 3ho4A1 PRO 409 HD2 -0.08 0.28 0.11 -0.04 3.68 3.94 3ho4A1 PRO 409 HD3 -0.04 0.11 0.37 -0.04 3.65 4.05 3ho4A1 ARG 410 H 0.24 0.12 0.12 -0.55 8.46 8.39 3ho4A1 ARG 410 HA -0.06 0.03 0.46 -0.75 4.34 4.02 3ho4A1 ARG 410 HB2 0.20 0.00 0.11 -0.04 1.90 2.17 3ho4A1 ARG 410 HB3 0.10 -0.13 -0.01 -0.04 1.80 1.72 3ho4A1 ARG 410 HG2 -0.01 0.06 -0.15 -0.04 1.67 1.53 3ho4A1 ARG 410 HG3 0.04 -0.03 0.01 -0.04 1.67 1.66 3ho4A1 ARG 410 HD2 0.28 -0.02 -0.01 -0.04 3.22 3.44 3ho4A1 ARG 410 HD3 0.12 0.07 -0.04 -0.04 3.22 3.33 3ho4A1 SER 411 H -0.05 0.04 -0.34 -0.55 8.46 7.56 3ho4A1 SER 411 HA -0.06 0.13 0.48 -0.75 4.49 4.28 3ho4A1 SER 411 HB2 0.09 0.20 0.16 -0.04 3.95 4.36 3ho4A1 SER 411 HB3 -0.01 -0.01 -0.16 -0.04 3.93 3.71 3ho4A1 ASN 412 H 0.11 0.53 -0.23 -0.55 8.53 8.39 3ho4A1 ASN 412 HA 0.21 0.05 0.53 -0.75 4.76 4.80 3ho4A1 ASN 412 HB2 0.18 0.09 -0.03 -0.04 2.88 3.09 3ho4A1 ASN 412 HB3 0.14 0.29 -0.24 -0.04 2.79 2.94 3ho4A1 ASN 412 HD21 -0.06 -0.04 0.06 -0.04 7.03 6.95 3ho4A1 ASN 412 HD22 0.06 0.42 0.01 -0.04 7.74 8.19 3ho4A1 PRO 413 HA -0.08 0.09 0.51 -0.51 4.44 4.45 3ho4A1 PRO 413 HB2 -0.62 -0.01 -0.30 -0.04 2.28 1.30 3ho4A1 PRO 413 HB3 -0.21 -0.10 -0.55 -0.04 2.02 1.12 3ho4A1 PRO 413 HG2 -0.19 0.20 0.08 -0.04 2.03 2.08 3ho4A1 PRO 413 HG3 -0.47 0.02 0.04 -0.04 2.03 1.58 3ho4A1 PRO 413 HD2 0.10 0.11 0.25 -0.04 3.68 4.10 3ho4A1 PRO 413 HD3 -0.08 0.10 0.17 -0.04 3.65 3.79 3ho4A1 HIS 414 H -0.17 0.04 0.09 -0.55 8.41 7.83 3ho4A1 HIS 414 HA 0.06 -0.18 0.28 -0.75 4.63 4.04 3ho4A1 HIS 414 HB2 0.05 0.29 0.11 -0.04 3.26 3.67 3ho4A1 HIS 414 HB3 0.04 0.02 -0.04 -0.04 3.20 3.18 3ho4A1 HIS 414 HD2 0.01 0.43 -0.27 -0.04 6.97 7.10 3ho4A1 HIS 414 HE1 0.01 -0.11 -0.05 -0.04 7.75 7.55 3ho4A1 PHE 415 H 0.22 0.06 -0.10 -0.55 8.34 7.96 3ho4A1 PHE 415 HA 0.04 0.18 0.33 -0.75 4.62 4.42 3ho4A1 PHE 415 HB2 0.02 0.30 0.05 -0.04 3.15 3.48 3ho4A1 PHE 415 HB3 0.02 -0.21 0.15 -0.04 3.06 2.98 3ho4A1 PHE 415 HD2 0.01 0.05 -0.17 -0.04 7.28 7.13 3ho4A1 PHE 415 HE2 0.02 -0.09 -0.12 -0.04 7.38 7.15 3ho4A1 PHE 415 HZ 0.02 -0.10 -0.01 -0.04 7.32 7.19 3ho4A1 ASN 416 H 0.28 -0.02 0.04 -0.55 8.53 8.29 3ho4A1 ASN 416 HA -0.09 0.12 0.65 -0.75 4.76 4.69 3ho4A1 ASN 416 HB2 0.21 -0.03 0.13 -0.04 2.88 3.15 3ho4A1 ASN 416 HB3 0.09 -0.07 0.05 -0.04 2.79 2.81 3ho4A1 ASN 416 HD21 0.06 -0.03 0.00 -0.04 7.03 7.02 3ho4A1 ASN 416 HD22 0.08 -0.04 0.01 -0.04 7.74 7.74 3ho4A1 SER 417 H 0.10 -0.12 -0.08 -0.55 8.46 7.82 3ho4A1 SER 417 HA 0.10 -0.12 0.29 -0.75 4.49 4.01 3ho4A1 SER 417 HB2 0.08 0.16 -0.10 -0.04 3.95 4.05 3ho4A1 SER 417 HB3 0.11 0.22 -0.52 -0.04 3.93 3.70 3ho4A1 THR 418 H 0.05 -0.05 0.15 -0.55 8.28 7.89 3ho4A1 THR 418 HA 0.01 0.14 0.35 -0.75 4.39 4.14 3ho4A1 THR 418 HB 0.02 0.14 0.10 -0.04 4.32 4.53 3ho4A1 THR 418 HG23 0.03 -0.03 -0.10 -0.04 1.22 1.09 3ho4A1 ASN 419 H 0.05 -0.01 0.19 -0.55 8.53 8.21 3ho4A1 ASN 419 HA -0.01 0.13 0.88 -0.75 4.76 5.00 3ho4A1 ASN 419 HB2 0.03 0.05 0.02 -0.04 2.88 2.94 3ho4A1 ASN 419 HB3 0.02 0.01 0.06 -0.04 2.79 2.84 3ho4A1 ASN 419 HD21 0.11 -0.01 0.11 -0.04 7.03 7.19 3ho4A1 ASN 419 HD22 0.16 0.12 0.22 -0.04 7.74 8.20 3ho4A1 GLN 420 H -0.06 0.10 0.06 -0.55 8.47 8.02 3ho4A1 GLN 420 HA -0.11 0.04 0.36 -0.75 4.36 3.90 3ho4A1 GLN 420 HB2 -0.85 0.20 0.22 -0.04 2.15 1.67 3ho4A1 GLN 420 HB3 -0.45 0.11 0.01 -0.04 2.02 1.65 3ho4A1 GLN 420 HG2 -0.08 -0.15 -0.27 -0.04 2.40 1.87 3ho4A1 GLN 420 HG3 -0.08 -0.01 -0.09 -0.04 2.39 2.17 3ho4A1 GLN 420 HE21 -0.02 0.03 0.00 -0.04 6.97 6.95 3ho4A1 GLN 420 HE22 -0.01 -0.07 -0.02 -0.04 7.69 7.54 3ho4A1 PRO 421 HA 0.03 0.14 0.39 -0.51 4.44 4.49 3ho4A1 PRO 421 HB2 0.33 -0.08 -0.03 -0.04 2.28 2.46 3ho4A1 PRO 421 HB3 0.05 0.01 0.07 -0.04 2.02 2.11 3ho4A1 PRO 421 HG2 0.16 0.02 0.08 -0.04 2.03 2.25 3ho4A1 PRO 421 HG3 0.02 0.05 0.05 -0.04 2.03 2.11 3ho4A1 PRO 421 HD2 -0.05 0.11 0.18 -0.04 3.68 3.88 3ho4A1 PRO 421 HD3 -0.04 0.08 0.16 -0.04 3.65 3.81 3ho4A1 PRO 422 HA 0.14 0.33 0.33 -0.51 4.44 4.72 3ho4A1 PRO 422 HB2 0.03 -0.06 -0.05 -0.04 2.28 2.15 3ho4A1 PRO 422 HB3 0.01 0.26 0.09 -0.04 2.02 2.34 3ho4A1 PRO 422 HG2 0.07 -0.08 0.05 -0.04 2.03 2.03 3ho4A1 PRO 422 HG3 0.01 0.06 0.03 -0.04 2.03 2.09 3ho4A1 PRO 422 HD2 0.07 -0.03 0.17 -0.04 3.68 3.85 3ho4A1 PRO 422 HD3 0.03 0.19 0.11 -0.04 3.65 3.94 3ho4A1 GLU 423 H 0.12 -0.05 -0.36 -0.55 8.60 7.77 3ho4A1 GLU 423 HA -0.04 0.16 0.39 -0.75 4.29 4.05 3ho4A1 GLU 423 HB2 -0.28 -0.05 -0.04 -0.04 2.09 1.68 3ho4A1 GLU 423 HB3 -0.39 -0.06 -0.06 -0.04 1.99 1.44 3ho4A1 GLU 423 HG2 -0.14 -0.02 -0.08 -0.04 2.34 2.05 3ho4A1 GLU 423 HG3 0.10 0.05 -0.08 -0.04 2.34 2.37 3ho4A1 VAL 424 H 0.10 0.24 -0.18 -0.55 8.24 7.86 3ho4A1 VAL 424 HA 0.05 -0.03 0.40 -0.75 4.13 3.80 3ho4A1 VAL 424 HB 0.10 0.16 0.05 -0.04 2.12 2.39 3ho4A1 VAL 424 HG13 0.10 -0.01 -0.31 -0.04 0.97 0.71 3ho4A1 VAL 424 HG23 0.22 -0.02 -0.02 -0.04 0.95 1.08 3ho4A1 PHE 425 H 0.14 0.54 0.49 -0.55 8.34 8.96 3ho4A1 PHE 425 HA -0.07 0.19 0.81 -0.75 4.62 4.80 3ho4A1 PHE 425 HB2 -0.13 0.02 0.03 -0.04 3.15 3.02 3ho4A1 PHE 425 HB3 -0.06 0.03 -0.01 -0.04 3.06 2.98 3ho4A1 PHE 425 HD2 -0.07 0.02 -0.09 -0.04 7.28 7.11 3ho4A1 PHE 425 HE2 -0.07 -0.00 -0.08 -0.04 7.38 7.18 3ho4A1 PHE 425 HZ -0.15 -0.04 -0.04 -0.04 7.32 7.05 3ho4A1 ALA 426 H 0.09 0.41 0.34 -0.55 8.40 8.69 3ho4A1 ALA 426 HA -0.23 0.08 0.40 -0.75 4.34 3.83 3ho4A1 ALA 426 HB3 -0.10 0.03 0.04 -0.04 1.41 1.35 3ho4A1 HIS 427 H -0.41 0.17 0.18 -0.55 8.41 7.80 3ho4A1 HIS 427 HA 0.02 0.23 1.04 -0.75 4.63 5.17 3ho4A1 HIS 427 HB2 0.01 0.05 0.12 -0.04 3.26 3.41 3ho4A1 HIS 427 HB3 0.03 0.05 -0.06 -0.04 3.20 3.17 3ho4A1 HIS 427 HD2 0.02 0.05 -0.07 -0.04 6.97 6.92 3ho4A1 HIS 427 HE1 0.00 -0.04 -0.04 -0.04 7.75 7.62 3ho4A1 GLY 428 H 0.10 0.54 0.28 -0.55 8.43 8.80 3ho4A1 GLY 428 HA2 -0.01 -0.02 0.31 -0.51 4.01 3.78 3ho4A1 GLY 428 HA3 0.05 0.15 0.84 -0.51 4.01 4.53 3ho4A1 LEU 429 H -0.00 0.27 -0.07 -0.55 8.37 8.03 3ho4A1 LEU 429 HA -0.11 -0.06 0.37 -0.75 4.35 3.80 3ho4A1 LEU 429 HB2 0.02 0.17 -0.18 -0.04 1.64 1.61 3ho4A1 LEU 429 HB3 0.02 -0.04 -0.25 -0.04 1.64 1.33 3ho4A1 LEU 429 HG 0.02 -0.07 -0.20 -0.04 1.64 1.35 3ho4A1 LEU 429 HD13 -0.01 -0.01 -0.22 -0.04 0.93 0.65 3ho4A1 LEU 429 HD23 0.04 0.02 -0.28 -0.04 0.89 0.63 3ho4A1 HIS 430 H -0.03 -0.02 0.06 -0.55 8.41 7.88 3ho4A1 HIS 430 HA 0.07 0.33 0.99 -0.75 4.63 5.26 3ho4A1 HIS 430 HB2 -0.01 -0.19 0.16 -0.04 3.26 3.18 3ho4A1 HIS 430 HB3 0.05 -0.03 0.03 -0.04 3.20 3.20 3ho4A1 HIS 430 HD2 0.05 0.10 -0.02 -0.04 6.97 7.05 3ho4A1 HIS 430 HE1 0.01 -0.02 -0.02 -0.04 7.75 7.67 3ho4A1 ASP 431 H 0.02 0.03 0.06 -0.55 8.40 7.97 3ho4A1 ASP 431 HA -0.14 0.20 0.87 -0.75 4.63 4.81 3ho4A1 ASP 431 HB2 -1.10 0.07 -0.04 -0.04 2.71 1.60 3ho4A1 ASP 431 HB3 -0.28 -0.28 0.28 -0.04 2.70 2.38 3ho4A1 PRO 432 HA 0.00 0.29 0.63 -0.51 4.44 4.85 3ho4A1 PRO 432 HB2 0.04 0.20 -0.04 -0.04 2.28 2.43 3ho4A1 PRO 432 HB3 0.02 -0.04 -0.05 -0.04 2.02 1.91 3ho4A1 PRO 432 HG2 0.04 0.04 -0.09 -0.04 2.03 1.98 3ho4A1 PRO 432 HG3 0.03 0.09 -0.28 -0.04 2.03 1.84 3ho4A1 PRO 432 HD2 0.03 0.03 -0.01 -0.04 3.68 3.69 3ho4A1 PRO 432 HD3 0.03 0.09 -0.45 -0.04 3.65 3.28 3ho4A1 GLY 433 H 0.04 0.38 0.25 -0.55 8.43 8.56 3ho4A1 GLY 433 HA2 0.05 0.14 0.75 -0.51 4.01 4.44 3ho4A1 GLY 433 HA3 0.08 0.07 0.36 -0.51 4.01 4.01 3ho4A1 ARG 434 H 0.14 0.45 0.40 -0.55 8.46 8.90 3ho4A1 ARG 434 HA 0.09 0.06 0.61 -0.75 4.34 4.34 3ho4A1 ARG 434 HB2 0.20 0.07 0.21 -0.04 1.90 2.34 3ho4A1 ARG 434 HB3 0.26 -0.17 0.22 -0.04 1.80 2.07 3ho4A1 ARG 434 HG2 0.12 0.02 0.10 -0.04 1.67 1.87 3ho4A1 ARG 434 HG3 0.25 -0.08 0.08 -0.04 1.67 1.88 3ho4A1 ARG 434 HD2 0.10 0.11 -0.08 -0.04 3.22 3.31 3ho4A1 ARG 434 HD3 0.07 0.14 -0.40 -0.04 3.22 2.99 3ho4A1 CYS 435 H 0.06 0.14 0.21 -0.55 8.50 8.36 3ho4A1 CYS 435 HA 0.12 -0.01 0.57 -0.75 4.58 4.51 3ho4A1 CYS 435 HB2 0.05 -0.02 0.00 -0.04 2.97 2.96 3ho4A1 CYS 435 HB3 0.08 0.04 -0.27 -0.04 2.97 2.77 3ho4A1 ALA 436 H 0.07 0.32 0.27 -0.55 8.40 8.51 3ho4A1 ALA 436 HA -0.09 0.10 0.45 -0.75 4.34 4.04 3ho4A1 ALA 436 HB3 -0.14 -0.04 -0.16 -0.04 1.41 1.03 3ho4A1 VAL 437 H -0.06 0.10 0.19 -0.55 8.24 7.93 3ho4A1 VAL 437 HA 0.01 0.30 1.09 -0.75 4.13 4.78 3ho4A1 VAL 437 HB -0.02 -0.04 0.19 -0.04 2.12 2.20 3ho4A1 VAL 437 HG13 -0.04 -0.00 -0.18 -0.04 0.97 0.71 3ho4A1 VAL 437 HG23 -0.02 0.06 -0.18 -0.04 0.95 0.77 3ho4A1 ASP 438 H 0.03 0.78 0.29 -0.55 8.40 8.96 3ho4A1 ASP 438 HA -0.16 0.10 0.85 -0.75 4.63 4.68 3ho4A1 ASP 438 HB2 -0.19 -0.02 -0.02 -0.04 2.71 2.45 3ho4A1 ASP 438 HB3 0.09 0.00 0.14 -0.04 2.70 2.89 3ho4A1 ARG 439 H -0.06 0.19 0.20 -0.55 8.46 8.23 3ho4A1 ARG 439 HA 0.12 0.23 0.86 -0.75 4.34 4.80 3ho4A1 ARG 439 HB2 0.01 0.01 0.12 -0.04 1.90 2.01 3ho4A1 ARG 439 HB3 0.05 0.01 0.22 -0.04 1.80 2.04 3ho4A1 ARG 439 HG2 0.02 0.02 -0.02 -0.04 1.67 1.66 3ho4A1 ARG 439 HG3 0.00 0.00 -0.14 -0.04 1.67 1.49 3ho4A1 ARG 439 HD2 0.03 -0.02 0.06 -0.04 3.22 3.25 3ho4A1 ARG 439 HD3 0.04 0.04 0.05 -0.04 3.22 3.31 3ho4A1 HIS 440 H -0.15 -0.03 -0.17 -0.55 8.41 7.52 3ho4A1 HIS 440 HA 0.02 0.01 0.15 -0.75 4.63 4.06 3ho4A1 HIS 440 HB2 0.04 0.24 6.87 -0.04 3.26 10.38 3ho4A1 HIS 440 HB3 0.04 -0.03 0.23 -0.04 3.20 3.40 3ho4A1 HIS 440 HD2 0.05 0.14 -0.67 -0.04 6.97 6.44 3ho4A1 HIS 440 HE1 0.11 -0.02 -0.15 -0.04 7.75 7.65 3ho4A1 ASN 447 HA -0.20 -0.10 0.52 -0.75 4.76 4.23 3ho4A1 ASN 447 HB2 0.02 -0.01 -0.01 -0.04 2.88 2.84 3ho4A1 ASN 447 HB3 -0.01 -0.09 0.03 -0.04 2.79 2.67 3ho4A1 ASN 447 HD21 0.07 0.03 -0.31 -0.04 7.03 6.77 3ho4A1 ASN 447 HD22 0.03 -0.09 -0.17 -0.04 7.74 7.46 3ho4A1 LEU 448 H -0.00 0.52 0.28 -0.55 8.37 8.62 3ho4A1 LEU 448 HA 0.14 0.20 0.65 -0.75 4.35 4.59 3ho4A1 LEU 448 HB2 0.04 0.05 -0.03 -0.04 1.64 1.65 3ho4A1 LEU 448 HB3 0.02 -0.05 0.08 -0.04 1.64 1.65 3ho4A1 LEU 448 HG -0.13 -0.08 0.05 -0.04 1.64 1.44 3ho4A1 LEU 448 HD13 -0.31 -0.01 -0.24 -0.04 0.93 0.32 3ho4A1 LEU 448 HD23 -0.03 0.00 -0.00 -0.04 0.89 0.82 3ho4A1 THR 449 H 0.15 0.58 0.29 -0.55 8.28 8.75 3ho4A1 THR 449 HA 0.14 0.34 1.06 -0.75 4.39 5.17 3ho4A1 THR 449 HB 0.34 -0.08 0.08 -0.04 4.32 4.62 3ho4A1 THR 449 HG23 0.28 -0.02 -0.25 -0.04 1.22 1.20 3ho4A1 ILE 450 H 0.09 0.60 0.29 -0.55 8.25 8.68 3ho4A1 ILE 450 HA 0.08 0.36 1.09 -0.75 4.18 4.96 3ho4A1 ILE 450 HB 0.03 0.02 -0.07 -0.04 1.89 1.83 3ho4A1 ILE 450 HG12 0.04 0.04 0.10 -0.04 1.49 1.64 3ho4A1 ILE 450 HG13 0.05 -0.05 -0.09 -0.04 1.21 1.07 3ho4A1 ILE 450 HG23 -0.09 -0.01 -0.22 -0.04 0.93 0.58 3ho4A1 ILE 450 HD13 -0.03 0.00 -0.14 -0.04 0.88 0.67 3ho4A1 LEU 451 H 0.16 0.70 0.17 -0.55 8.37 8.85 3ho4A1 LEU 451 HA 0.08 0.27 0.96 -0.75 4.35 4.90 3ho4A1 LEU 451 HB2 0.29 -0.01 -0.13 -0.04 1.64 1.75 3ho4A1 LEU 451 HB3 0.40 -0.10 0.03 -0.04 1.64 1.92 3ho4A1 LEU 451 HG -0.11 0.07 -0.15 -0.04 1.64 1.41 3ho4A1 LEU 451 HD13 -0.66 -0.01 -0.16 -0.04 0.93 0.06 3ho4A1 LEU 451 HD23 -0.12 -0.00 -0.29 -0.04 0.89 0.44 3ho4A1 CYS 452 H 0.02 0.85 0.30 -0.55 8.50 9.12 3ho4A1 CYS 452 HA 0.17 0.10 0.95 -0.75 4.58 5.05 3ho4A1 CYS 452 HB2 0.01 -0.05 -0.02 -0.04 2.97 2.87 3ho4A1 CYS 452 HB3 0.04 0.07 -0.05 -0.04 2.97 2.99 3ho4A1 SER 453 H 0.18 0.14 0.09 -0.55 8.46 8.32 3ho4A1 SER 453 HA -0.03 0.28 0.88 -0.75 4.49 4.86 3ho4A1 SER 453 HB2 -0.22 0.03 0.02 -0.04 3.95 3.73 3ho4A1 SER 453 HB3 -0.10 -0.01 0.01 -0.04 3.93 3.78 3ho4A1 ASP 454 H -0.03 0.69 0.20 -0.55 8.40 8.71 3ho4A1 ASP 454 HA -0.02 0.21 0.76 -0.75 4.63 4.82 3ho4A1 ASP 454 HB2 -0.03 0.06 -0.34 -0.04 2.71 2.36 3ho4A1 ASP 454 HB3 -0.02 0.03 -0.03 -0.04 2.70 2.64 3ho4A1 SER 455 H -0.06 0.56 0.24 -0.55 8.46 8.64 3ho4A1 SER 455 HA -0.04 0.05 0.38 -0.75 4.49 4.13 3ho4A1 SER 455 HB2 -0.13 -0.11 0.19 -0.04 3.95 3.85 3ho4A1 SER 455 HB3 -0.05 0.09 0.10 -0.04 3.93 4.03 3ho4A1 ASN 456 H -0.03 -0.11 -0.13 -0.55 8.53 7.71 3ho4A1 ASN 456 HA 0.02 -0.07 0.22 -0.75 4.76 4.17 3ho4A1 ASN 456 HB2 0.01 0.46 -0.31 -0.04 2.88 2.99 3ho4A1 ASN 456 HB3 0.00 -0.10 0.05 -0.04 2.79 2.70 3ho4A1 ASN 456 HD21 0.02 -0.18 -0.09 -0.04 7.03 6.74 3ho4A1 ASN 456 HD22 0.02 0.78 -0.06 -0.04 7.74 8.44 3ho4A1 GLY 457 H -0.04 -0.08 -0.52 -0.55 8.43 7.24 3ho4A1 GLY 457 HA2 0.07 -0.03 0.23 -0.51 4.01 3.78 3ho4A1 GLY 457 HA3 0.08 -0.02 0.45 -0.51 4.01 4.01 3ho4A1 LYS 458 H -0.00 0.07 0.20 -0.55 8.42 8.14 3ho4A1 LYS 458 HA -0.00 0.07 0.47 -0.75 4.32 4.10 3ho4A1 LYS 458 HB2 -0.02 -0.02 0.14 -0.04 1.87 1.93 3ho4A1 LYS 458 HB3 -0.01 0.00 0.00 -0.04 1.79 1.74 3ho4A1 LYS 458 HG2 -0.01 0.01 0.04 -0.04 1.46 1.46 3ho4A1 LYS 458 HG3 -0.01 -0.05 0.02 -0.04 1.46 1.38 3ho4A1 LYS 458 HD2 -0.02 0.00 0.03 -0.04 1.69 1.66 3ho4A1 LYS 458 HD3 -0.02 -0.00 0.01 -0.04 1.68 1.63 3ho4A1 LYS 458 HE2 -0.02 -0.00 -0.00 -0.04 2.99 2.93 3ho4A1 LYS 458 HE3 -0.02 -0.01 -0.00 -0.04 2.99 2.91 3ho4A1 ASN 459 H -0.02 0.14 -0.09 -0.55 8.53 8.01 3ho4A1 ASN 459 HA -0.01 -0.01 0.50 -0.75 4.76 4.48 3ho4A1 ASN 459 HB2 -0.03 0.13 0.06 -0.04 2.88 3.01 3ho4A1 ASN 459 HB3 -0.01 0.04 0.04 -0.04 2.79 2.82 3ho4A1 ASN 459 HD21 -0.01 -0.03 0.01 -0.04 7.03 6.96 3ho4A1 ASN 459 HD22 -0.01 -0.01 0.06 -0.04 7.74 7.74 3ho4A1 ARG 460 H -0.00 -0.00 0.10 -0.55 8.46 8.00 3ho4A1 ARG 460 HA -0.00 0.05 0.40 -0.75 4.34 4.03 3ho4A1 ARG 460 HB2 -0.00 -0.05 0.05 -0.04 1.90 1.86 3ho4A1 ARG 460 HB3 0.00 0.08 0.03 -0.04 1.80 1.87 3ho4A1 ARG 460 HG2 0.00 0.02 0.05 -0.04 1.67 1.70 3ho4A1 ARG 460 HG3 -0.00 -0.05 0.08 -0.04 1.67 1.66 3ho4A1 ARG 460 HD2 0.00 -0.03 0.03 -0.04 3.22 3.18 3ho4A1 ARG 460 HD3 0.00 0.05 0.02 -0.04 3.22 3.25 3ho4A1 SER 461 H 0.00 -0.01 0.11 -0.55 8.46 8.02 3ho4A1 SER 461 HA -0.00 0.27 0.48 -0.75 4.49 4.48 3ho4A1 SER 461 HB2 -0.02 -0.02 -0.04 -0.04 3.95 3.83 3ho4A1 SER 461 HB3 -0.01 -0.03 0.04 -0.04 3.93 3.88 3ho4A1 SER 462 H -0.01 0.42 0.26 -0.55 8.46 8.59 3ho4A1 SER 462 HA -0.11 0.11 0.76 -0.75 4.49 4.49 3ho4A1 SER 462 HB2 -0.17 0.02 0.02 -0.04 3.95 3.78 3ho4A1 SER 462 HB3 -0.06 0.07 -0.18 -0.04 3.93 3.72 3ho4A1 ALA 463 H -0.52 0.71 0.38 -0.55 8.40 8.42 3ho4A1 ALA 463 HA -0.24 0.27 1.01 -0.75 4.34 4.63 3ho4A1 ALA 463 HB3 -1.04 -0.02 -0.01 -0.04 1.41 0.30 3ho4A1 ARG 464 H -0.17 0.45 0.21 -0.55 8.46 8.40 3ho4A1 ARG 464 HA -0.11 0.35 1.00 -0.75 4.34 4.82 3ho4A1 ARG 464 HB2 -0.03 -0.06 -0.14 -0.04 1.90 1.62 3ho4A1 ARG 464 HB3 -0.04 0.15 -0.21 -0.04 1.80 1.66 3ho4A1 ARG 464 HG2 -0.12 -0.11 -0.42 -0.04 1.67 0.97 3ho4A1 ARG 464 HG3 -0.07 -0.08 -0.20 -0.04 1.67 1.29 3ho4A1 ARG 464 HD2 -0.07 0.02 -0.26 -0.04 3.22 2.87 3ho4A1 ARG 464 HD3 -0.06 0.09 -0.17 -0.04 3.22 3.04 3ho4A1 ILE 465 H 0.08 0.67 0.17 -0.55 8.25 8.62 3ho4A1 ILE 465 HA 0.06 0.29 1.12 -0.75 4.18 4.90 3ho4A1 ILE 465 HB 0.13 -0.06 -0.17 -0.04 1.89 1.75 3ho4A1 ILE 465 HG12 0.14 0.02 -0.27 -0.04 1.49 1.34 3ho4A1 ILE 465 HG13 0.10 0.01 -0.15 -0.04 1.21 1.13 3ho4A1 ILE 465 HG23 0.14 0.04 0.00 -0.04 0.93 1.08 3ho4A1 ILE 465 HD13 0.18 -0.01 -0.15 -0.04 0.88 0.86 3ho4A1 LEU 466 H 0.09 0.72 0.32 -0.55 8.37 8.95 3ho4A1 LEU 466 HA 0.07 0.21 1.01 -0.75 4.35 4.89 3ho4A1 LEU 466 HB2 0.08 -0.02 -0.08 -0.04 1.64 1.57 3ho4A1 LEU 466 HB3 0.09 -0.05 0.11 -0.04 1.64 1.76 3ho4A1 LEU 466 HG 0.20 -0.00 -0.36 -0.04 1.64 1.43 3ho4A1 LEU 466 HD13 0.03 0.01 -0.11 -0.04 0.93 0.82 3ho4A1 LEU 466 HD23 0.32 -0.01 -0.15 -0.04 0.89 1.01 3ho4A1 GLN 467 H 0.09 0.25 0.17 -0.55 8.47 8.43 3ho4A1 GLN 467 HA 0.12 0.29 1.17 -0.75 4.36 5.19 3ho4A1 GLN 467 HB2 0.10 -0.04 0.06 -0.04 2.15 2.23 3ho4A1 GLN 467 HB3 0.10 0.01 -0.07 -0.04 2.02 2.02 3ho4A1 GLN 467 HG2 0.12 0.08 0.00 -0.04 2.40 2.56 3ho4A1 GLN 467 HG3 0.16 -0.02 -0.17 -0.04 2.39 2.31 3ho4A1 GLN 467 HE21 0.19 -0.00 -0.09 -0.04 6.97 7.03 3ho4A1 GLN 467 HE22 0.24 -0.00 -0.11 -0.04 7.69 7.78 3ho4A1 ILE 468 H 0.11 0.59 0.33 -0.55 8.25 8.73 3ho4A1 ILE 468 HA 0.30 0.09 0.90 -0.75 4.18 4.72 3ho4A1 ILE 468 HB 0.13 0.02 0.12 -0.04 1.89 2.13 3ho4A1 ILE 468 HG12 0.51 0.04 -0.09 -0.04 1.49 1.91 3ho4A1 ILE 468 HG13 0.31 -0.01 -0.62 -0.04 1.21 0.84 3ho4A1 ILE 468 HG23 0.28 0.01 -0.11 -0.04 0.93 1.07 3ho4A1 ILE 468 HD13 0.13 -0.00 -0.18 -0.04 0.88 0.79 3ho4A1 ILE 469 H 0.22 0.11 0.11 -0.55 8.25 8.14 3ho4A1 ILE 469 HA 0.04 0.36 0.86 -0.75 4.18 4.69 3ho4A1 ILE 469 HB 0.06 0.02 -0.03 -0.04 1.89 1.90 3ho4A1 ILE 469 HG12 0.01 -0.35 0.19 -0.04 1.49 1.30 3ho4A1 ILE 469 HG13 0.00 0.16 0.11 -0.04 1.21 1.44 3ho4A1 ILE 469 HG23 0.01 0.01 -0.05 -0.04 0.93 0.86 3ho4A1 ILE 469 HD13 0.01 0.00 0.02 -0.04 0.88 0.87 3ho4A1 LYS 470 H 0.01 0.12 0.12 -0.55 8.42 8.13 3ho4A1 LYS 470 HA 0.04 0.09 0.30 -0.75 4.32 3.99 3ho4A1 LYS 470 HB2 0.01 0.02 0.16 -0.04 1.87 2.01 3ho4A1 LYS 470 HB3 0.00 -0.02 0.20 -0.04 1.79 1.93 3ho4A1 LYS 470 HG2 0.02 0.03 -0.10 -0.04 1.46 1.36 3ho4A1 LYS 470 HG3 0.02 0.03 0.01 -0.04 1.46 1.48 3ho4A1 LYS 470 HD2 0.01 -0.00 0.02 -0.04 1.69 1.67 3ho4A1 LYS 470 HD3 0.00 -0.02 -0.00 -0.04 1.68 1.62 3ho4A1 LYS 470 HE2 0.01 0.01 -0.05 -0.04 2.99 2.93 3ho4A1 LYS 470 HE3 0.01 0.01 -0.01 -0.04 2.99 2.96 3ho4A1 GLY 471 H 0.07 0.27 0.25 -0.55 8.43 8.47 3ho4A1 GLY 471 HA2 0.09 0.05 0.29 -0.51 4.01 3.93 3ho4A1 GLY 471 HA3 0.04 -0.03 0.25 -0.51 4.01 3.76 3ho4A1 LYS 472 H -0.04 0.01 -0.86 -0.55 8.42 6.98 3ho4A1 LYS 472 HA -0.13 -0.02 0.35 -0.75 4.32 3.76 3ho4A1 LYS 472 HB2 -0.14 -0.01 -0.05 -0.04 1.87 1.63 3ho4A1 LYS 472 HB3 -0.28 -0.05 -0.09 -0.04 1.79 1.32 3ho4A1 LYS 472 HG2 -0.82 0.05 -0.44 -0.04 1.46 0.21 3ho4A1 LYS 472 HG3 -0.27 0.01 -0.07 -0.04 1.46 1.09 3ho4A1 LYS 472 HD2 -0.16 -0.06 -0.06 -0.04 1.69 1.37 3ho4A1 LYS 472 HD3 -0.21 0.01 -0.07 -0.04 1.68 1.38 3ho4A1 LYS 472 HE2 -0.10 0.02 -0.01 -0.04 2.99 2.85 3ho4A1 LYS 472 HE3 -0.09 -0.01 -0.02 -0.04 2.99 2.83 3ho4A1 ASP 473 H -0.15 0.05 0.16 -0.55 8.40 7.92 3ho4A1 ASP 473 HA -0.10 0.17 0.77 -0.75 4.63 4.72 3ho4A1 ASP 473 HB2 -0.10 -0.10 0.14 -0.04 2.71 2.61 3ho4A1 ASP 473 HB3 -0.09 0.08 -0.03 -0.04 2.70 2.61 3ho4A1 TYR 474 H 0.09 0.54 0.09 -0.55 8.29 8.46 3ho4A1 TYR 474 HA -0.05 0.01 0.76 -0.75 4.56 4.53 3ho4A1 TYR 474 HB2 -0.06 0.11 -0.02 -0.04 3.06 3.05 3ho4A1 TYR 474 HB3 -0.13 0.13 -0.04 -0.04 2.98 2.90 3ho4A1 TYR 474 HD2 0.03 0.20 0.06 -0.04 7.15 7.39 3ho4A1 TYR 474 HE2 0.12 -0.05 0.01 -0.04 6.85 6.88 3ho4A1 GLU 475 H 0.03 -0.00 0.20 -0.55 8.60 8.28 3ho4A1 GLU 475 HA -0.04 0.15 0.67 -0.75 4.29 4.32 3ho4A1 GLU 475 HB2 -0.01 0.01 -0.02 -0.04 2.09 2.03 3ho4A1 GLU 475 HB3 -0.01 -0.02 0.01 -0.04 1.99 1.93 3ho4A1 GLU 475 HG2 0.01 0.07 0.07 -0.04 2.34 2.44 3ho4A1 GLU 475 HG3 0.01 -0.04 0.07 -0.04 2.34 2.33 3ho4A1 SER 476 H 0.00 0.02 0.21 -0.55 8.46 8.14 3ho4A1 SER 476 HA -0.09 0.15 0.71 -0.75 4.49 4.51 3ho4A1 SER 476 HB2 -0.01 -0.04 0.12 -0.04 3.95 3.98 3ho4A1 SER 476 HB3 -0.03 0.08 0.06 -0.04 3.93 4.00 3ho4A1 GLU 477 H -0.14 0.07 0.02 -0.55 8.60 8.00 3ho4A1 GLU 477 HA -0.40 0.18 0.39 -0.75 4.29 3.71 3ho4A1 GLU 477 HB2 -0.18 -0.16 0.03 -0.04 2.09 1.73 3ho4A1 GLU 477 HB3 -0.31 0.22 0.03 -0.04 1.99 1.88 3ho4A1 GLU 477 HG2 -0.19 0.27 -0.16 -0.04 2.34 2.22 3ho4A1 GLU 477 HG3 -0.04 -0.10 -0.07 -0.04 2.34 2.09 3ho4A1 PRO 478 HA -0.15 -0.01 0.71 -0.51 4.44 4.48 3ho4A1 PRO 478 HB2 -0.28 -0.01 -0.01 -0.04 2.28 1.94 3ho4A1 PRO 478 HB3 -0.21 0.04 0.19 -0.04 2.02 2.00 3ho4A1 PRO 478 HG2 -1.34 0.02 0.07 -0.04 2.03 0.74 3ho4A1 PRO 478 HG3 -1.66 0.00 0.13 -0.04 2.03 0.46 3ho4A1 PRO 478 HD2 -1.03 0.44 0.36 -0.04 3.68 3.42 3ho4A1 PRO 478 HD3 -1.10 0.10 0.27 -0.04 3.65 2.88 3ho4A1 SER 479 H -0.06 0.07 0.19 -0.55 8.46 8.11 3ho4A1 SER 479 HA -0.08 0.08 0.60 -0.75 4.49 4.34 3ho4A1 SER 479 HB2 -0.01 -0.03 0.16 -0.04 3.95 4.04 3ho4A1 SER 479 HB3 -0.00 -0.02 -0.03 -0.04 3.93 3.84 3ho4A1 LEU 480 H -0.05 0.18 0.12 -0.55 8.37 8.08 3ho4A1 LEU 480 HA 0.01 0.22 0.75 -0.75 4.35 4.57 3ho4A1 LEU 480 HB2 -0.03 0.04 0.04 -0.04 1.64 1.65 3ho4A1 LEU 480 HB3 -0.01 0.03 0.23 -0.04 1.64 1.84 3ho4A1 LEU 480 HG 0.01 -0.05 -0.30 -0.04 1.64 1.25 3ho4A1 LEU 480 HD13 0.03 -0.01 -0.24 -0.04 0.93 0.67 3ho4A1 LEU 480 HD23 -0.01 0.01 -0.20 -0.04 0.89 0.65 3ho4A1 LEU 481 H 0.05 0.46 0.11 -0.55 8.37 8.44 3ho4A1 LEU 481 HA 0.05 -0.03 0.23 -0.75 4.35 3.84 3ho4A1 LEU 481 HB2 0.05 0.02 0.06 -0.04 1.64 1.73 3ho4A1 LEU 481 HB3 0.09 -0.00 0.14 -0.04 1.64 1.83 3ho4A1 LEU 481 HG 0.08 0.04 -0.01 -0.04 1.64 1.71 3ho4A1 LEU 481 HD13 0.04 -0.01 -0.01 -0.04 0.93 0.91 3ho4A1 LEU 481 HD23 0.06 -0.01 -0.14 -0.04 0.89 0.76 3ho4A1 GLU 482 H 0.06 0.10 0.24 -0.55 8.60 8.45 3ho4A1 GLU 482 HA -0.03 0.26 1.00 -0.75 4.29 4.78 3ho4A1 GLU 482 HB2 -0.01 0.07 0.07 -0.04 2.09 2.17 3ho4A1 GLU 482 HB3 0.01 -0.05 0.10 -0.04 1.99 2.01 3ho4A1 GLU 482 HG2 -0.10 0.02 -0.10 -0.04 2.34 2.12 3ho4A1 GLU 482 HG3 -0.09 -0.03 -0.10 -0.04 2.34 2.08 3ho4A1 PHE 483 H -0.38 0.73 0.42 -0.55 8.34 8.56 3ho4A1 PHE 483 HA -0.07 0.08 0.53 -0.75 4.62 4.41 3ho4A1 PHE 483 HB2 -0.09 -0.06 0.04 -0.04 3.15 3.01 3ho4A1 PHE 483 HB3 -0.06 0.10 -0.07 -0.04 3.06 2.99 3ho4A1 PHE 483 HD2 -0.22 -0.01 -0.27 -0.04 7.28 6.75 3ho4A1 PHE 483 HE2 -0.64 -0.03 -0.18 -0.04 7.38 6.49 3ho4A1 PHE 483 HZ -1.39 -0.02 -0.20 -0.04 7.32 5.67 3ho4A1 LYS 484 H 0.02 0.19 0.07 -0.55 8.42 8.14 3ho4A1 LYS 484 HA -0.30 0.12 0.99 -0.75 4.32 4.38 3ho4A1 LYS 484 HB2 -0.04 -0.01 0.22 -0.04 1.87 1.99 3ho4A1 LYS 484 HB3 -0.07 0.12 0.13 -0.04 1.79 1.93 3ho4A1 LYS 484 HG2 -0.07 0.09 -0.10 -0.04 1.46 1.34 3ho4A1 LYS 484 HG3 -0.06 -0.12 -0.24 -0.04 1.46 1.00 3ho4A1 LYS 484 HD2 -0.01 -0.03 0.01 -0.04 1.69 1.62 3ho4A1 LYS 484 HD3 -0.02 0.05 -0.05 -0.04 1.68 1.62 3ho4A1 LYS 484 HE2 -0.01 0.04 -0.09 -0.04 2.99 2.89 3ho4A1 LYS 484 HE3 -0.01 -0.02 -0.09 -0.04 2.99 2.82 3ho4A1 PRO 485 HA -0.10 0.20 0.66 -0.51 4.44 4.69 3ho4A1 PRO 485 HB2 -0.25 -0.05 -0.06 -0.04 2.28 1.88 3ho4A1 PRO 485 HB3 0.02 0.03 -0.11 -0.04 2.02 1.92 3ho4A1 PRO 485 HG2 -1.93 0.00 -0.20 -0.04 2.03 -0.14 3ho4A1 PRO 485 HG3 -0.68 0.05 -0.14 -0.04 2.03 1.21 3ho4A1 PRO 485 HD2 -1.11 0.05 0.08 -0.04 3.68 2.66 3ho4A1 PRO 485 HD3 -0.89 0.31 -0.27 -0.04 3.65 2.75 3ho4A1 PHE 486 H -0.29 0.14 -0.21 -0.55 8.34 7.42 3ho4A1 PHE 486 HA -0.06 0.14 0.77 -0.75 4.62 4.72 3ho4A1 PHE 486 HB2 -0.12 0.09 -0.14 -0.04 3.15 2.94 3ho4A1 PHE 486 HB3 -0.09 -0.08 -0.04 -0.04 3.06 2.81 3ho4A1 PHE 486 HD2 -0.18 0.05 -0.25 -0.04 7.28 6.85 3ho4A1 PHE 486 HE2 -0.42 0.04 -0.20 -0.04 7.38 6.76 3ho4A1 PHE 486 HZ -1.07 0.01 -0.22 -0.04 7.32 6.00 3ho4A1 SER 487 H 0.13 -0.04 0.15 -0.55 8.46 8.15 3ho4A1 SER 487 HA 0.05 0.26 0.91 -0.75 4.49 4.95 3ho4A1 SER 487 HB2 0.05 -0.03 0.02 -0.04 3.95 3.95 3ho4A1 SER 487 HB3 0.03 0.02 0.01 -0.04 3.93 3.95 3ho4A1 ASN 488 H 0.04 -0.01 0.13 -0.55 8.53 8.14 3ho4A1 ASN 488 HA 0.01 0.09 0.23 -0.75 4.76 4.34 3ho4A1 ASN 488 HB2 0.00 0.01 0.08 -0.04 2.88 2.92 3ho4A1 ASN 488 HB3 0.02 -0.04 0.09 -0.04 2.79 2.81 3ho4A1 ASN 488 HD21 -0.05 0.03 -0.16 -0.04 7.03 6.81 3ho4A1 ASN 488 HD22 -0.02 -0.05 -0.14 -0.04 7.74 7.49 3ho4A1 GLY 489 H 0.00 0.00 -0.35 -0.55 8.43 7.54 3ho4A1 GLY 489 HA2 -0.01 0.04 0.27 -0.51 4.01 3.79 3ho4A1 GLY 489 HA3 -0.02 0.21 0.80 -0.51 4.01 4.49 3ho4A1 PRO 490 HA -0.07 0.01 0.22 -0.51 4.44 4.10 3ho4A1 PRO 490 HB2 -0.04 0.01 -0.05 -0.04 2.28 2.16 3ho4A1 PRO 490 HB3 -0.03 0.06 0.12 -0.04 2.02 2.13 3ho4A1 PRO 490 HG2 -0.03 -0.04 0.06 -0.04 2.03 1.99 3ho4A1 PRO 490 HG3 -0.02 0.07 0.08 -0.04 2.03 2.12 3ho4A1 PRO 490 HD2 -0.02 0.15 0.21 -0.04 3.68 3.98 3ho4A1 PRO 490 HD3 -0.02 0.19 0.20 -0.04 3.65 3.97 3ho4A1 LEU 491 H -0.09 0.19 0.13 -0.55 8.37 8.05 3ho4A1 LEU 491 HA -0.07 0.08 0.94 -0.75 4.35 4.55 3ho4A1 LEU 491 HB2 -0.17 -0.05 -0.02 -0.04 1.64 1.35 3ho4A1 LEU 491 HB3 -0.05 0.05 -0.04 -0.04 1.64 1.56 3ho4A1 LEU 491 HG -0.35 0.09 -0.31 -0.04 1.64 1.02 3ho4A1 LEU 491 HD13 -1.22 -0.02 -0.15 -0.04 0.93 -0.49 3ho4A1 LEU 491 HD23 -0.21 -0.01 -0.22 -0.04 0.89 0.41 3ho4A1 VAL 492 H 0.04 0.37 0.37 -0.55 8.24 8.47 3ho4A1 VAL 492 HA 0.04 0.06 0.57 -0.75 4.13 4.05 3ho4A1 VAL 492 HB 0.15 0.12 0.07 -0.04 2.12 2.41 3ho4A1 VAL 492 HG13 -0.07 -0.02 -0.23 -0.04 0.97 0.61 3ho4A1 VAL 492 HG23 -0.03 -0.04 -0.13 -0.04 0.95 0.71 3ho4A1 GLY 493 H 0.23 0.34 0.15 -0.55 8.43 8.61 3ho4A1 GLY 493 HA2 0.23 -0.04 0.29 -0.51 4.01 3.98 3ho4A1 GLY 493 HA3 0.23 0.07 0.74 -0.51 4.01 4.55 3ho4A1 GLY 494 H -0.17 0.84 0.34 -0.55 8.43 8.90 3ho4A1 GLY 494 HA2 -0.94 0.13 0.90 -0.51 4.01 3.59 3ho4A1 GLY 494 HA3 -1.94 -0.05 0.35 -0.51 4.01 1.86 3ho4A1 PHE 495 H -1.15 0.64 0.42 -0.55 8.34 7.70 3ho4A1 PHE 495 HA -0.27 0.07 0.68 -0.75 4.62 4.34 3ho4A1 PHE 495 HB2 -0.16 0.04 0.03 -0.04 3.15 3.02 3ho4A1 PHE 495 HB3 -0.23 0.09 -0.07 -0.04 3.06 2.81 3ho4A1 PHE 495 HD2 -0.49 -0.00 -0.30 -0.04 7.28 6.44 3ho4A1 PHE 495 HE2 -0.29 -0.01 -0.09 -0.04 7.38 6.95 3ho4A1 PHE 495 HZ -0.23 -0.02 -0.11 -0.04 7.32 6.92 3ho4A1 VAL 496 H -0.07 0.22 0.14 -0.55 8.24 7.97 3ho4A1 VAL 496 HA -0.30 0.30 0.97 -0.75 4.13 4.35 3ho4A1 VAL 496 HB -0.27 0.06 0.10 -0.04 2.12 1.97 3ho4A1 VAL 496 HG13 -0.44 0.02 -0.30 -0.04 0.97 0.21 3ho4A1 VAL 496 HG23 -0.82 -0.05 -0.26 -0.04 0.95 -0.22 3ho4A1 TYR 497 H 0.10 0.62 0.17 -0.55 8.29 8.62 3ho4A1 TYR 497 HA 0.04 0.02 0.42 -0.75 4.56 4.28 3ho4A1 TYR 497 HB2 0.20 -0.03 0.05 -0.04 3.06 3.24 3ho4A1 TYR 497 HB3 0.01 0.19 0.17 -0.04 2.98 3.31 3ho4A1 TYR 497 HD2 -0.01 0.11 -0.35 -0.04 7.15 6.86 3ho4A1 TYR 497 HE2 0.05 0.14 -0.11 -0.04 6.85 6.88 3ho4A1 ARG 498 H -0.40 0.21 0.27 -0.55 8.46 7.99 3ho4A1 ARG 498 HA -0.44 0.11 0.82 -0.75 4.34 4.08 3ho4A1 ARG 498 HB2 -0.15 0.01 0.18 -0.04 1.90 1.89 3ho4A1 ARG 498 HB3 -0.12 0.02 0.23 -0.04 1.80 1.89 3ho4A1 ARG 498 HG2 -0.42 0.05 -0.40 -0.04 1.67 0.86 3ho4A1 ARG 498 HG3 -0.22 0.18 -0.16 -0.04 1.67 1.43 3ho4A1 ARG 498 HD2 -0.21 -0.12 0.02 -0.04 3.22 2.87 3ho4A1 ARG 498 HD3 -0.12 0.03 0.04 -0.04 3.22 3.13 3ho4A1 GLY 499 H -1.80 -0.03 -0.02 -0.55 8.43 6.03 3ho4A1 GLY 499 HA2 -0.20 0.28 0.56 -0.51 4.01 4.14 3ho4A1 GLY 499 HA3 -0.35 -0.14 0.09 -0.51 4.01 3.10 3ho4A1 CYS 500 H 0.02 -0.05 0.12 -0.55 8.50 8.04 3ho4A1 CYS 500 HA 0.01 0.27 0.67 -0.75 4.58 4.78 3ho4A1 CYS 500 HB2 -0.02 0.12 -0.03 -0.04 2.97 2.99 3ho4A1 CYS 500 HB3 0.00 -0.05 0.07 -0.04 2.97 2.95 3ho4A1 GLN 501 H 0.12 -0.06 0.09 -0.55 8.47 8.06 3ho4A1 GLN 501 HA 0.04 0.14 0.26 -0.75 4.36 4.06 3ho4A1 GLN 501 HB2 0.05 -0.03 0.14 -0.04 2.15 2.26 3ho4A1 GLN 501 HB3 0.08 -0.08 0.06 -0.04 2.02 2.03 3ho4A1 GLN 501 HG2 0.02 0.22 0.05 -0.04 2.40 2.65 3ho4A1 GLN 501 HG3 0.01 -0.02 0.05 -0.04 2.39 2.39 3ho4A1 GLN 501 HE21 -0.01 0.51 0.00 -0.04 6.97 7.43 3ho4A1 GLN 501 HE22 -0.00 0.67 -0.34 -0.04 7.69 7.97 3ho4A1 SER 502 H 0.33 0.04 -0.31 -0.55 8.46 7.97 3ho4A1 SER 502 HA 0.08 0.16 0.95 -0.75 4.49 4.93 3ho4A1 SER 502 HB2 0.04 0.02 -0.04 -0.04 3.95 3.93 3ho4A1 SER 502 HB3 -0.14 0.03 -0.05 -0.04 3.93 3.73 3ho4A1 GLU 503 H 0.07 0.16 0.09 -0.55 8.60 8.37 3ho4A1 GLU 503 HA 0.09 0.22 0.60 -0.75 4.29 4.44 3ho4A1 GLU 503 HB2 0.04 -0.05 0.16 -0.04 2.09 2.19 3ho4A1 GLU 503 HB3 0.05 0.03 -0.04 -0.04 1.99 1.98 3ho4A1 GLU 503 HG2 -0.00 0.05 0.03 -0.04 2.34 2.38 3ho4A1 GLU 503 HG3 0.01 0.04 -0.00 -0.04 2.34 2.36 3ho4A1 ARG 504 H 0.09 0.05 0.02 -0.55 8.46 8.06 3ho4A1 ARG 504 HA 0.11 0.13 0.22 -0.75 4.34 4.05 3ho4A1 ARG 504 HB2 0.11 0.07 -0.04 -0.04 1.90 2.00 3ho4A1 ARG 504 HB3 0.06 0.01 0.06 -0.04 1.80 1.90 3ho4A1 ARG 504 HG2 0.03 -0.07 0.09 -0.04 1.67 1.68 3ho4A1 ARG 504 HG3 0.13 -0.07 0.02 -0.04 1.67 1.69 3ho4A1 ARG 504 HD2 0.04 0.06 -0.04 -0.04 3.22 3.24 3ho4A1 ARG 504 HD3 -0.02 0.01 -0.00 -0.04 3.22 3.16 3ho4A1 LEU 505 H 0.17 -0.04 -0.40 -0.55 8.37 7.55 3ho4A1 LEU 505 HA 0.11 0.12 0.30 -0.75 4.35 4.12 3ho4A1 LEU 505 HB2 -0.03 -0.11 -0.04 -0.04 1.64 1.42 3ho4A1 LEU 505 HB3 -0.48 0.02 -0.17 -0.04 1.64 0.96 3ho4A1 LEU 505 HG -0.49 0.00 -0.07 -0.04 1.64 1.05 3ho4A1 LEU 505 HD13 -0.71 -0.02 -0.08 -0.04 0.93 0.08 3ho4A1 LEU 505 HD23 -0.12 0.02 -0.01 -0.04 0.89 0.74 3ho4A1 TYR 506 H 0.35 0.27 -0.69 -0.55 8.29 7.67 3ho4A1 TYR 506 HA 0.26 0.03 0.30 -0.75 4.56 4.40 3ho4A1 TYR 506 HB2 0.14 0.11 0.12 -0.04 3.06 3.38 3ho4A1 TYR 506 HB3 0.09 -0.00 0.10 -0.04 2.98 3.12 3ho4A1 TYR 506 HD2 -0.02 0.03 -0.08 -0.04 7.15 7.04 3ho4A1 TYR 506 HE2 -0.05 0.05 0.02 -0.04 6.85 6.83 3ho4A1 GLY 507 H -0.47 0.60 0.38 -0.55 8.43 8.39 3ho4A1 GLY 507 HA2 -0.36 -0.05 0.31 -0.51 4.01 3.40 3ho4A1 GLY 507 HA3 -0.17 0.03 0.39 -0.51 4.01 3.74 3ho4A1 SER 508 H 0.06 0.55 -0.23 -0.55 8.46 8.30 3ho4A1 SER 508 HA 0.16 0.07 0.60 -0.75 4.49 4.56 3ho4A1 SER 508 HB2 0.03 -0.09 -0.02 -0.04 3.95 3.84 3ho4A1 SER 508 HB3 0.09 -0.03 0.01 -0.04 3.93 3.96 3ho4A1 TYR 509 H 0.50 0.24 0.24 -0.55 8.29 8.72 3ho4A1 TYR 509 HA -0.09 0.21 0.92 -0.75 4.56 4.85 3ho4A1 TYR 509 HB2 0.26 0.03 0.25 -0.04 3.06 3.55 3ho4A1 TYR 509 HB3 0.23 -0.05 -0.04 -0.04 2.98 3.08 3ho4A1 TYR 509 HD2 0.17 -0.00 0.01 -0.04 7.15 7.29 3ho4A1 TYR 509 HE2 0.13 0.02 -0.10 -0.04 6.85 6.86 3ho4A1 VAL 510 H -0.55 0.81 0.40 -0.55 8.24 8.36 3ho4A1 VAL 510 HA -0.12 0.43 1.09 -0.75 4.13 4.78 3ho4A1 VAL 510 HB -1.80 -0.10 0.16 -0.04 2.12 0.35 3ho4A1 VAL 510 HG13 -0.22 0.02 -0.11 -0.04 0.97 0.62 3ho4A1 VAL 510 HG23 -0.22 0.03 -0.14 -0.04 0.95 0.57 3ho4A1 PHE 511 H 0.15 0.23 0.07 -0.55 8.34 8.23 3ho4A1 PHE 511 HA -0.29 0.28 1.15 -0.75 4.62 5.01 3ho4A1 PHE 511 HB2 -0.13 -0.07 -0.04 -0.04 3.15 2.87 3ho4A1 PHE 511 HB3 -0.25 0.01 -0.05 -0.04 3.06 2.74 3ho4A1 PHE 511 HD2 -0.06 -0.04 -0.39 -0.04 7.28 6.75 3ho4A1 PHE 511 HE2 0.07 -0.03 -0.17 -0.04 7.38 7.20 3ho4A1 PHE 511 HZ 0.07 0.11 -0.23 -0.04 7.32 7.22 3ho4A1 GLY 512 H 0.04 0.63 0.37 -0.55 8.43 8.92 3ho4A1 GLY 512 HA2 -0.33 0.36 1.08 -0.51 4.01 4.60 3ho4A1 GLY 512 HA3 -0.31 0.02 0.30 -0.51 4.01 3.50 3ho4A1 ASP 513 H -0.22 0.52 0.32 -0.55 8.40 8.47 3ho4A1 ASP 513 HA -0.05 -0.02 0.96 -0.75 4.63 4.77 3ho4A1 ASP 513 HB2 -0.06 0.26 0.25 -0.04 2.71 3.13 3ho4A1 ASP 513 HB3 -0.09 0.09 0.14 -0.04 2.70 2.80 3ho4A1 ARG 514 H -0.02 0.25 0.17 -0.55 8.46 8.31 3ho4A1 ARG 514 HA 0.02 0.19 0.41 -0.75 4.34 4.21 3ho4A1 ARG 514 HB2 -0.00 0.03 0.14 -0.04 1.90 2.03 3ho4A1 ARG 514 HB3 0.00 -0.01 0.12 -0.04 1.80 1.87 3ho4A1 ARG 514 HG2 0.06 -0.04 -0.05 -0.04 1.67 1.60 3ho4A1 ARG 514 HG3 0.05 0.16 0.12 -0.04 1.67 1.96 3ho4A1 ARG 514 HD2 -0.04 0.01 0.02 -0.04 3.22 3.17 3ho4A1 ARG 514 HD3 -0.06 -0.01 -0.01 -0.04 3.22 3.10 3ho4A1 ASN 515 H 0.01 0.03 -0.24 -0.55 8.53 7.79 3ho4A1 ASN 515 HA 0.11 0.23 0.64 -0.75 4.76 4.98 3ho4A1 ASN 515 HB2 0.01 -0.04 0.04 -0.04 2.88 2.85 3ho4A1 ASN 515 HB3 0.01 -0.02 -0.02 -0.04 2.79 2.72 3ho4A1 ASN 515 HD21 -0.03 0.00 0.04 -0.04 7.03 7.00 3ho4A1 ASN 515 HD22 0.03 -0.01 0.02 -0.04 7.74 7.74 3ho4A1 GLY 516 H 0.04 0.39 -0.41 -0.55 8.43 7.90 3ho4A1 GLY 516 HA2 -0.11 0.06 0.20 -0.51 4.01 3.65 3ho4A1 GLY 516 HA3 0.57 0.10 0.39 -0.51 4.01 4.56 3ho4A1 ASN 517 H -0.11 -0.06 -0.03 -0.55 8.53 7.78 3ho4A1 ASN 517 HA 0.06 0.21 0.86 -0.75 4.76 5.14 3ho4A1 ASN 517 HB2 -0.05 -0.14 0.12 -0.04 2.88 2.77 3ho4A1 ASN 517 HB3 0.00 0.06 -0.01 -0.04 2.79 2.81 3ho4A1 ASN 517 HD21 0.00 0.06 -0.08 -0.04 7.03 6.97 3ho4A1 ASN 517 HD22 -0.02 -0.16 -0.08 -0.04 7.74 7.44 3ho4A1 PHE 518 H 0.23 0.27 0.18 -0.55 8.34 8.48 3ho4A1 PHE 518 HA 0.04 0.29 1.23 -0.75 4.62 5.42 3ho4A1 PHE 518 HB2 0.03 0.12 0.06 -0.04 3.15 3.32 3ho4A1 PHE 518 HB3 -0.04 0.08 0.00 -0.04 3.06 3.06 3ho4A1 PHE 518 HD2 0.03 0.08 -0.22 -0.04 7.28 7.12 3ho4A1 PHE 518 HE2 0.24 0.02 -0.16 -0.04 7.38 7.45 3ho4A1 PHE 518 HZ 0.09 -0.02 -0.15 -0.04 7.32 7.20 3ho4A1 LEU 519 H 0.16 0.69 0.43 -0.55 8.37 9.10 3ho4A1 LEU 519 HA 0.12 0.27 0.97 -0.75 4.35 4.96 3ho4A1 LEU 519 HB2 0.16 -0.13 0.04 -0.04 1.64 1.67 3ho4A1 LEU 519 HB3 0.18 0.01 -0.04 -0.04 1.64 1.75 3ho4A1 LEU 519 HG 0.02 -0.00 -0.24 -0.04 1.64 1.38 3ho4A1 LEU 519 HD13 0.05 -0.02 -0.14 -0.04 0.93 0.77 3ho4A1 LEU 519 HD23 0.10 0.01 -0.16 -0.04 0.89 0.80 3ho4A1 THR 520 H 0.14 0.46 0.38 -0.55 8.28 8.71 3ho4A1 THR 520 HA 0.14 0.49 0.85 -0.75 4.39 5.11 3ho4A1 THR 520 HB 0.11 -0.06 0.15 -0.04 4.32 4.48 3ho4A1 THR 520 HG23 0.12 -0.00 -0.11 -0.04 1.22 1.19 3ho4A1 LEU 521 H 0.32 0.35 0.06 -0.55 8.37 8.56 3ho4A1 LEU 521 HA 0.24 0.24 0.83 -0.75 4.35 4.91 3ho4A1 LEU 521 HB2 0.32 -0.03 0.05 -0.04 1.64 1.94 3ho4A1 LEU 521 HB3 0.34 0.01 -0.10 -0.04 1.64 1.85 3ho4A1 LEU 521 HG 0.18 -0.05 -0.20 -0.04 1.64 1.52 3ho4A1 LEU 521 HD13 -0.36 -0.00 -0.19 -0.04 0.93 0.34 3ho4A1 LEU 521 HD23 0.07 0.01 -0.22 -0.04 0.89 0.71 3ho4A1 GLN 522 H 0.17 0.65 0.13 -0.55 8.47 8.87 3ho4A1 GLN 522 HA 0.09 0.19 1.05 -0.75 4.36 4.94 3ho4A1 GLN 522 HB2 0.08 0.00 -0.02 -0.04 2.15 2.17 3ho4A1 GLN 522 HB3 0.03 -0.03 0.03 -0.04 2.02 2.00 3ho4A1 GLN 522 HG2 -0.03 0.08 -0.03 -0.04 2.40 2.37 3ho4A1 GLN 522 HG3 0.05 0.03 -0.01 -0.04 2.39 2.42 3ho4A1 GLN 522 HE21 -0.03 -0.09 -0.08 -0.04 6.97 6.73 3ho4A1 GLN 522 HE22 -0.06 0.22 -0.17 -0.04 7.69 7.64 3ho4A1 GLN 523 H -0.31 0.21 0.06 -0.55 8.47 7.89 3ho4A1 GLN 523 HA -0.80 0.24 0.79 -0.75 4.36 3.84 3ho4A1 GLN 523 HB2 -2.63 -0.04 -0.09 -0.04 2.15 -0.66 3ho4A1 GLN 523 HB3 -0.76 -0.02 -0.02 -0.04 2.02 1.19 3ho4A1 GLN 523 HG2 -0.69 0.06 -0.35 -0.04 2.40 1.38 3ho4A1 GLN 523 HG3 -1.69 0.08 -0.39 -0.04 2.39 0.35 3ho4A1 GLN 523 HE21 -0.14 -0.09 -0.04 -0.04 6.97 6.65 3ho4A1 GLN 523 HE22 -0.46 0.57 0.09 -0.04 7.69 7.85 3ho4A1 SER 524 H -0.33 0.58 0.11 -0.55 8.46 8.28 3ho4A1 SER 524 HA -0.13 0.14 0.51 -0.75 4.49 4.25 3ho4A1 SER 524 HB2 -0.11 0.12 0.07 -0.04 3.95 3.99 3ho4A1 SER 524 HB3 -0.17 0.01 0.12 -0.04 3.93 3.85 3ho4A1 PRO 525 HA -0.11 0.15 0.57 -0.51 4.44 4.54 3ho4A1 PRO 525 HB2 -0.04 0.02 -0.02 -0.04 2.28 2.19 3ho4A1 PRO 525 HB3 -0.05 0.07 0.11 -0.04 2.02 2.12 3ho4A1 PRO 525 HG2 -0.05 -0.07 0.12 -0.04 2.03 1.99 3ho4A1 PRO 525 HG3 -0.03 0.08 0.09 -0.04 2.03 2.12 3ho4A1 PRO 525 HD2 -0.08 0.01 0.28 -0.04 3.68 3.85 3ho4A1 PRO 525 HD3 -0.08 0.30 0.21 -0.04 3.65 4.04 3ho4A1 VAL 526 H -0.07 0.07 -0.14 -0.55 8.24 7.55 3ho4A1 VAL 526 HA -0.05 0.17 0.33 -0.75 4.13 3.83 3ho4A1 VAL 526 HB -0.04 0.03 -0.07 -0.04 2.12 2.01 3ho4A1 VAL 526 HG13 -0.03 0.01 -0.01 -0.04 0.97 0.90 3ho4A1 VAL 526 HG23 -0.04 -0.01 0.04 -0.04 0.95 0.89 3ho4A1 THR 527 H -0.10 -0.03 -0.14 -0.55 8.28 7.47 3ho4A1 THR 527 HA -0.06 0.27 0.74 -0.75 4.39 4.58 3ho4A1 THR 527 HB -0.06 0.03 0.11 -0.04 4.32 4.35 3ho4A1 THR 527 HG23 -0.04 0.00 -0.08 -0.04 1.22 1.06 3ho4A1 LYS 528 H -0.16 0.22 -0.27 -0.55 8.42 7.65 3ho4A1 LYS 528 HA -0.27 0.23 0.26 -0.75 4.32 3.78 3ho4A1 LYS 528 HB2 -0.10 0.13 -0.18 -0.04 1.87 1.67 3ho4A1 LYS 528 HB3 -0.14 -0.05 0.09 -0.04 1.79 1.65 3ho4A1 LYS 528 HG2 -0.09 0.06 -0.27 -0.04 1.46 1.12 3ho4A1 LYS 528 HG3 -0.07 -0.04 -0.11 -0.04 1.46 1.20 3ho4A1 LYS 528 HD2 -0.10 -0.05 -0.01 -0.04 1.69 1.48 3ho4A1 LYS 528 HD3 -0.16 0.08 0.00 -0.04 1.68 1.56 3ho4A1 LYS 528 HE2 -0.06 0.15 0.02 -0.04 2.99 3.06 3ho4A1 LYS 528 HE3 -0.04 -0.06 -0.02 -0.04 2.99 2.83 3ho4A1 GLN 529 H -0.18 -0.11 -0.88 -0.55 8.47 6.75 3ho4A1 GLN 529 HA -0.17 0.13 0.55 -0.75 4.36 4.12 3ho4A1 GLN 529 HB2 -0.08 0.09 0.01 -0.04 2.15 2.13 3ho4A1 GLN 529 HB3 -0.09 -0.06 -0.06 -0.04 2.02 1.77 3ho4A1 GLN 529 HG2 0.00 0.11 0.02 -0.04 2.40 2.49 3ho4A1 GLN 529 HG3 0.00 -0.04 0.12 -0.04 2.39 2.43 3ho4A1 GLN 529 HE21 -0.01 -0.02 0.00 -0.04 6.97 6.90 3ho4A1 GLN 529 HE22 -0.03 -0.04 -0.01 -0.04 7.69 7.57 3ho4A1 TRP 530 H 0.10 0.13 0.13 -0.55 7.97 7.78 3ho4A1 TRP 530 HA -0.11 0.25 0.80 -0.75 4.62 4.81 3ho4A1 TRP 530 HB2 -0.13 -0.04 -0.01 -0.04 3.23 3.01 3ho4A1 TRP 530 HB3 -0.04 -0.02 -0.16 -0.04 3.23 2.97 3ho4A1 TRP 530 HD1 -0.74 -0.04 -0.05 -0.04 7.22 6.36 3ho4A1 TRP 530 HE1 -0.52 0.04 -0.10 -0.04 10.20 9.58 3ho4A1 TRP 530 HE3 -0.11 -0.07 -0.43 -0.04 7.59 6.94 3ho4A1 TRP 530 HZ2 -0.15 0.02 -0.13 -0.04 7.44 7.14 3ho4A1 TRP 530 HZ3 -0.55 0.11 -0.17 -0.04 7.13 6.48 3ho4A1 TRP 530 HH2 -0.44 0.01 -0.12 -0.04 7.19 6.60 3ho4A1 GLN 531 H 0.20 0.41 0.14 -0.55 8.47 8.67 3ho4A1 GLN 531 HA 0.09 0.11 0.91 -0.75 4.36 4.72 3ho4A1 GLN 531 HB2 0.03 -0.01 -0.18 -0.04 2.15 1.95 3ho4A1 GLN 531 HB3 0.04 0.04 0.07 -0.04 2.02 2.13 3ho4A1 GLN 531 HG2 0.03 -0.07 -0.07 -0.04 2.40 2.25 3ho4A1 GLN 531 HG3 0.06 0.06 -0.37 -0.04 2.39 2.10 3ho4A1 GLN 531 HE21 0.03 -0.03 0.03 -0.04 6.97 6.95 3ho4A1 GLN 531 HE22 0.02 -0.05 -0.02 -0.04 7.69 7.60 3ho4A1 GLU 532 H 0.07 0.18 0.18 -0.55 8.60 8.48 3ho4A1 GLU 532 HA 0.14 0.30 0.89 -0.75 4.29 4.88 3ho4A1 GLU 532 HB2 0.18 -0.08 0.05 -0.04 2.09 2.20 3ho4A1 GLU 532 HB3 0.09 0.09 0.10 -0.04 1.99 2.23 3ho4A1 GLU 532 HG2 0.06 0.09 0.16 -0.04 2.34 2.61 3ho4A1 GLU 532 HG3 0.08 -0.02 -0.04 -0.04 2.34 2.32 3ho4A1 LYS 533 H 0.12 0.49 0.45 -0.55 8.42 8.93 3ho4A1 LYS 533 HA 0.08 0.15 0.84 -0.75 4.32 4.63 3ho4A1 LYS 533 HB2 0.09 -0.02 0.12 -0.04 1.87 2.02 3ho4A1 LYS 533 HB3 0.08 0.07 0.07 -0.04 1.79 1.97 3ho4A1 LYS 533 HG2 0.06 0.02 -0.01 -0.04 1.46 1.50 3ho4A1 LYS 533 HG3 0.07 0.01 -0.41 -0.04 1.46 1.09 3ho4A1 LYS 533 HD2 0.07 -0.01 -0.04 -0.04 1.69 1.67 3ho4A1 LYS 533 HD3 0.06 -0.01 -0.02 -0.04 1.68 1.68 3ho4A1 LYS 533 HE2 0.04 -0.00 -0.05 -0.04 2.99 2.93 3ho4A1 LYS 533 HE3 0.04 -0.00 -0.07 -0.04 2.99 2.92 3ho4A1 PRO 534 HA 0.10 0.21 0.56 -0.51 4.44 4.79 3ho4A1 PRO 534 HB2 0.08 -0.01 0.02 -0.04 2.28 2.33 3ho4A1 PRO 534 HB3 0.07 -0.00 0.10 -0.04 2.02 2.15 3ho4A1 PRO 534 HG2 0.08 0.02 0.00 -0.04 2.03 2.09 3ho4A1 PRO 534 HG3 0.07 0.02 0.06 -0.04 2.03 2.14 3ho4A1 PRO 534 HD2 0.07 0.10 0.23 -0.04 3.68 4.04 3ho4A1 PRO 534 HD3 0.07 0.14 0.17 -0.04 3.65 3.99 3ho4A1 LEU 535 H 0.13 0.26 0.14 -0.55 8.37 8.34 3ho4A1 LEU 535 HA 0.14 0.09 0.73 -0.75 4.35 4.56 3ho4A1 LEU 535 HB2 0.10 0.05 -0.54 -0.04 1.64 1.21 3ho4A1 LEU 535 HB3 0.15 -0.11 -0.06 -0.04 1.64 1.58 3ho4A1 LEU 535 HG 0.11 0.02 -0.09 -0.04 1.64 1.64 3ho4A1 LEU 535 HD13 0.06 0.02 -0.12 -0.04 0.93 0.85 3ho4A1 LEU 535 HD23 -0.32 -0.00 -0.15 -0.04 0.89 0.38 3ho4A1 CYS 536 H 0.13 0.15 0.09 -0.55 8.50 8.32 3ho4A1 CYS 536 HA 0.11 0.12 0.61 -0.75 4.58 4.66 3ho4A1 CYS 536 HB2 -0.01 0.12 0.08 -0.04 2.97 3.12 3ho4A1 CYS 536 HB3 0.04 -0.02 0.04 -0.04 2.97 2.99 3ho4A1 LEU 537 H 0.09 0.19 0.26 -0.55 8.37 8.37 3ho4A1 LEU 537 HA 0.08 0.21 0.81 -0.75 4.35 4.69 3ho4A1 LEU 537 HB2 0.11 0.11 0.14 -0.04 1.64 1.96 3ho4A1 LEU 537 HB3 0.08 -0.03 -0.01 -0.04 1.64 1.64 3ho4A1 LEU 537 HG 0.21 -0.01 -0.09 -0.04 1.64 1.71 3ho4A1 LEU 537 HD13 0.30 0.00 -0.12 -0.04 0.93 1.07 3ho4A1 LEU 537 HD23 -0.03 -0.00 -0.26 -0.04 0.89 0.56 3ho4A1 GLY 538 H 0.01 0.91 0.26 -0.55 8.43 9.06 3ho4A1 GLY 538 HA2 -0.00 0.03 0.78 -0.51 4.01 4.31 3ho4A1 GLY 538 HA3 -0.04 0.01 0.21 -0.51 4.01 3.68 3ho4A1 THR 539 H 0.02 0.08 0.17 -0.55 8.28 8.01 3ho4A1 THR 539 HA -0.03 0.29 0.77 -0.75 4.39 4.66 3ho4A1 THR 539 HB -0.04 -0.26 0.22 -0.04 4.32 4.20 3ho4A1 THR 539 HG23 0.10 0.01 0.13 -0.04 1.22 1.42 3ho4A1 SER 540 H -0.02 0.94 0.27 -0.55 8.46 9.11 3ho4A1 SER 540 HA -0.00 -0.04 0.48 -0.75 4.49 4.18 3ho4A1 SER 540 HB2 -0.01 -0.05 0.02 -0.04 3.95 3.87 3ho4A1 SER 540 HB3 -0.01 0.05 0.07 -0.04 3.93 3.99 3ho4A1 GLY 541 H 0.00 0.08 0.07 -0.55 8.43 8.03 3ho4A1 GLY 541 HA2 0.00 0.02 0.32 -0.51 4.01 3.85 3ho4A1 GLY 541 HA3 -0.01 0.08 0.59 -0.51 4.01 4.17 3ho4A1 SER 542 H -0.00 0.13 0.13 -0.55 8.46 8.18 3ho4A1 SER 542 HA -0.00 0.05 0.26 -0.75 4.49 4.05 3ho4A1 SER 542 HB2 0.00 0.01 0.15 -0.04 3.95 4.07 3ho4A1 SER 542 HB3 0.00 -0.04 0.14 -0.04 3.93 3.99 3ho4A1 CYS 543 H -0.02 0.11 -0.83 -0.55 8.50 7.22 3ho4A1 CYS 543 HA -0.02 0.16 0.73 -0.75 4.58 4.69 3ho4A1 CYS 543 HB2 -0.01 -0.09 -0.03 -0.04 2.97 2.80 3ho4A1 CYS 543 HB3 -0.02 0.20 0.13 -0.04 2.97 3.23 3ho4A1 ARG 544 H -0.08 0.56 0.33 -0.55 8.46 8.72 3ho4A1 ARG 544 HA -0.10 0.08 0.49 -0.75 4.34 4.06 3ho4A1 ARG 544 HB2 -0.53 0.11 0.07 -0.04 1.90 1.51 3ho4A1 ARG 544 HB3 -0.56 -0.12 0.07 -0.04 1.80 1.15 3ho4A1 ARG 544 HG2 -0.10 0.03 -0.49 -0.04 1.67 1.07 3ho4A1 ARG 544 HG3 -0.14 0.15 0.04 -0.04 1.67 1.68 3ho4A1 ARG 544 HD2 -0.22 -0.01 -0.02 -0.04 3.22 2.93 3ho4A1 ARG 544 HD3 -0.09 -0.06 -0.06 -0.04 3.22 2.98 3ho4A1 GLY 545 H -0.07 0.12 0.07 -0.55 8.43 8.00 3ho4A1 GLY 545 HA2 0.02 0.12 0.25 -0.51 4.01 3.89 3ho4A1 GLY 545 HA3 0.06 -0.02 0.14 -0.51 4.01 3.69 3ho4A1 TYR 546 H -0.37 0.21 -0.46 -0.55 8.29 7.13 3ho4A1 TYR 546 HA -0.05 0.17 0.69 -0.75 4.56 4.61 3ho4A1 TYR 546 HB2 -0.16 0.11 -0.01 -0.04 3.06 2.97 3ho4A1 TYR 546 HB3 -0.07 0.06 -0.23 -0.04 2.98 2.71 3ho4A1 TYR 546 HD2 -0.03 0.01 -0.35 -0.04 7.15 6.74 3ho4A1 TYR 546 HE2 0.01 -0.01 -0.08 -0.04 6.85 6.73 3ho4A1 PHE 547 H -0.48 0.27 0.08 -0.55 8.34 7.65 3ho4A1 PHE 547 HA -0.26 0.14 0.72 -0.75 4.62 4.46 3ho4A1 PHE 547 HB2 -0.87 0.02 -0.05 -0.04 3.15 2.21 3ho4A1 PHE 547 HB3 -0.93 -0.02 -0.15 -0.04 3.06 1.91 3ho4A1 PHE 547 HD2 -0.06 0.12 -0.36 -0.04 7.28 6.94 3ho4A1 PHE 547 HE2 0.08 0.01 -0.23 -0.04 7.38 7.21 3ho4A1 PHE 547 HZ 0.02 -0.08 -0.43 -0.04 7.32 6.79 3ho4A1 SER 548 H 0.34 0.09 0.03 -0.55 8.46 8.38 3ho4A1 SER 548 HA 0.06 0.10 0.68 -0.75 4.49 4.58 3ho4A1 SER 548 HB2 0.27 -0.02 0.07 -0.04 3.95 4.23 3ho4A1 SER 548 HB3 0.15 0.03 -0.11 -0.04 3.93 3.96 3ho4A1 GLY 549 H 0.03 0.08 0.12 -0.55 8.43 8.12 3ho4A1 GLY 549 HA2 0.08 -0.06 0.33 -0.51 4.01 3.84 3ho4A1 GLY 549 HA3 0.04 0.10 0.15 -0.51 4.01 3.79 3ho4A1 HIS 550 H -0.30 0.55 0.40 -0.55 8.41 8.52 3ho4A1 HIS 550 HA 0.23 0.24 0.95 -0.75 4.63 5.29 3ho4A1 HIS 550 HB2 0.06 0.07 0.12 -0.04 3.26 3.47 3ho4A1 HIS 550 HB3 0.05 -0.06 -0.03 -0.04 3.20 3.13 3ho4A1 HIS 550 HD2 0.02 0.14 -0.22 -0.04 6.97 6.86 3ho4A1 HIS 550 HE1 0.03 -0.16 -0.06 -0.04 7.75 7.51 3ho4A1 ILE 551 H 0.20 0.69 0.37 -0.55 8.25 8.96 3ho4A1 ILE 551 HA -0.09 0.10 0.60 -0.75 4.18 4.04 3ho4A1 ILE 551 HB -0.04 0.00 0.15 -0.04 1.89 1.96 3ho4A1 ILE 551 HG12 -0.42 -0.02 -0.11 -0.04 1.49 0.90 3ho4A1 ILE 551 HG13 -0.03 0.03 -0.08 -0.04 1.21 1.08 3ho4A1 ILE 551 HG23 -0.39 0.00 -0.14 -0.04 0.93 0.35 3ho4A1 ILE 551 HD13 -0.08 0.01 -0.07 -0.04 0.88 0.70 3ho4A1 LEU 552 H -0.12 0.80 0.53 -0.55 8.37 9.03 3ho4A1 LEU 552 HA -0.00 0.11 0.99 -0.75 4.35 4.69 3ho4A1 LEU 552 HB2 -0.05 0.07 0.00 -0.04 1.64 1.62 3ho4A1 LEU 552 HB3 -0.01 0.05 0.13 -0.04 1.64 1.77 3ho4A1 LEU 552 HG -0.05 -0.03 -0.11 -0.04 1.64 1.41 3ho4A1 LEU 552 HD13 0.00 -0.03 -0.11 -0.04 0.93 0.75 3ho4A1 LEU 552 HD23 0.19 0.01 -0.08 -0.04 0.89 0.98 3ho4A1 GLY 553 H -0.30 0.21 0.29 -0.55 8.43 8.08 3ho4A1 GLY 553 HA2 -0.38 0.00 0.38 -0.51 4.01 3.50 3ho4A1 GLY 553 HA3 -0.13 0.43 0.54 -0.51 4.01 4.34 3ho4A1 PHE 554 H 0.09 0.25 0.27 -0.55 8.34 8.40 3ho4A1 PHE 554 HA 0.04 0.20 0.98 -0.75 4.62 5.09 3ho4A1 PHE 554 HB2 0.07 0.02 0.02 -0.04 3.15 3.23 3ho4A1 PHE 554 HB3 -0.04 0.06 0.15 -0.04 3.06 3.18 3ho4A1 PHE 554 HD2 0.15 0.10 -0.02 -0.04 7.28 7.46 3ho4A1 PHE 554 HE2 0.22 -0.06 -0.23 -0.04 7.38 7.27 3ho4A1 PHE 554 HZ 0.03 0.01 -0.04 -0.04 7.32 7.28 3ho4A1 GLY 555 H 0.16 0.41 0.35 -0.55 8.43 8.80 3ho4A1 GLY 555 HA2 0.06 0.43 1.06 -0.51 4.01 5.05 3ho4A1 GLY 555 HA3 0.08 -0.06 0.19 -0.51 4.01 3.70 3ho4A1 GLU 556 H 0.07 0.36 0.07 -0.55 8.60 8.56 3ho4A1 GLU 556 HA 0.11 0.31 0.86 -0.75 4.29 4.82 3ho4A1 GLU 556 HB2 0.02 0.02 -0.03 -0.04 2.09 2.05 3ho4A1 GLU 556 HB3 0.11 -0.04 0.18 -0.04 1.99 2.20 3ho4A1 GLU 556 HG2 0.11 0.18 -0.13 -0.04 2.34 2.46 3ho4A1 GLU 556 HG3 0.00 0.01 0.04 -0.04 2.34 2.35 3ho4A1 ASP 557 H 0.16 0.72 0.12 -0.55 8.40 8.85 3ho4A1 ASP 557 HA 0.06 0.13 0.52 -0.75 4.63 4.58 3ho4A1 ASP 557 HB2 0.04 -0.09 0.14 -0.04 2.71 2.75 3ho4A1 ASP 557 HB3 -0.03 -0.25 0.02 -0.04 2.70 2.40 3ho4A1 GLU 558 H -0.14 0.23 0.13 -0.55 8.60 8.27 3ho4A1 GLU 558 HA -1.59 0.11 0.62 -0.75 4.29 2.68 3ho4A1 GLU 558 HB2 -0.16 0.03 0.14 -0.04 2.09 2.05 3ho4A1 GLU 558 HB3 -0.15 -0.02 0.07 -0.04 1.99 1.85 3ho4A1 GLU 558 HG2 -0.09 0.08 -0.14 -0.04 2.34 2.15 3ho4A1 GLU 558 HG3 -0.24 0.09 0.03 -0.04 2.34 2.18 3ho4A1 LEU 559 H -0.11 0.04 -0.07 -0.55 8.37 7.68 3ho4A1 LEU 559 HA -0.09 0.22 0.49 -0.75 4.35 4.21 3ho4A1 LEU 559 HB2 -0.04 -0.13 0.06 -0.04 1.64 1.48 3ho4A1 LEU 559 HB3 -0.04 0.07 0.15 -0.04 1.64 1.78 3ho4A1 LEU 559 HG -0.05 -0.12 0.05 -0.04 1.64 1.48 3ho4A1 LEU 559 HD13 -0.02 0.03 0.04 -0.04 0.93 0.93 3ho4A1 LEU 559 HD23 -0.04 0.05 -0.04 -0.04 0.89 0.81 3ho4A1 GLY 560 H -0.12 0.14 -0.78 -0.55 8.43 7.13 3ho4A1 GLY 560 HA2 -0.08 0.15 0.23 -0.51 4.01 3.79 3ho4A1 GLY 560 HA3 -0.12 0.23 0.33 -0.51 4.01 3.94 3ho4A1 GLU 561 H -0.03 -0.04 -0.28 -0.55 8.60 7.71 3ho4A1 GLU 561 HA 0.08 0.07 0.61 -0.75 4.29 4.30 3ho4A1 GLU 561 HB2 -0.02 -0.06 0.07 -0.04 2.09 2.04 3ho4A1 GLU 561 HB3 -0.17 0.07 -0.04 -0.04 1.99 1.82 3ho4A1 GLU 561 HG2 -0.03 0.10 0.05 -0.04 2.34 2.42 3ho4A1 GLU 561 HG3 0.00 0.09 0.14 -0.04 2.34 2.53 3ho4A1 VAL 562 H -0.18 0.23 0.24 -0.55 8.24 7.98 3ho4A1 VAL 562 HA -0.11 0.39 0.92 -0.75 4.13 4.58 3ho4A1 VAL 562 HB -0.08 -0.08 0.10 -0.04 2.12 2.02 3ho4A1 VAL 562 HG13 -0.80 -0.01 -0.09 -0.04 0.97 0.03 3ho4A1 VAL 562 HG23 -0.35 0.07 -0.08 -0.04 0.95 0.55 3ho4A1 TYR 563 H 0.04 0.48 0.37 -0.55 8.29 8.64 3ho4A1 TYR 563 HA -0.03 0.17 1.19 -0.75 4.56 5.15 3ho4A1 TYR 563 HB2 -0.02 -0.14 -0.04 -0.04 3.06 2.81 3ho4A1 TYR 563 HB3 -0.01 0.14 -0.01 -0.04 2.98 3.06 3ho4A1 TYR 563 HD2 -0.04 0.04 -0.47 -0.04 7.15 6.64 3ho4A1 TYR 563 HE2 -0.04 -0.02 -0.28 -0.04 6.85 6.47 3ho4A1 ILE 564 H 0.13 0.52 0.31 -0.55 8.25 8.67 3ho4A1 ILE 564 HA 0.07 0.26 0.88 -0.75 4.18 4.64 3ho4A1 ILE 564 HB -0.14 0.05 0.05 -0.04 1.89 1.80 3ho4A1 ILE 564 HG12 -0.09 -0.03 -0.09 -0.04 1.49 1.25 3ho4A1 ILE 564 HG13 -0.01 -0.08 -0.12 -0.04 1.21 0.97 3ho4A1 ILE 564 HG23 0.36 -0.00 -0.14 -0.04 0.93 1.10 3ho4A1 ILE 564 HD13 -0.93 0.00 -0.20 -0.04 0.88 -0.29 3ho4A1 LEU 565 H -0.13 0.70 0.25 -0.55 8.37 8.65 3ho4A1 LEU 565 HA 0.00 0.31 1.06 -0.75 4.35 4.97 3ho4A1 LEU 565 HB2 -0.07 0.02 -0.17 -0.04 1.64 1.38 3ho4A1 LEU 565 HB3 -0.05 0.01 -0.12 -0.04 1.64 1.44 3ho4A1 LEU 565 HG -0.02 0.01 -0.29 -0.04 1.64 1.30 3ho4A1 LEU 565 HD13 -0.01 -0.02 -0.53 -0.04 0.93 0.32 3ho4A1 LEU 565 HD23 -0.05 -0.01 -0.27 -0.04 0.89 0.52 3ho4A1 SER 566 H 0.02 0.60 0.38 -0.55 8.46 8.92 3ho4A1 SER 566 HA -0.06 0.25 1.13 -0.75 4.49 5.05 3ho4A1 SER 566 HB2 0.15 0.16 -0.09 -0.04 3.95 4.13 3ho4A1 SER 566 HB3 0.05 -0.11 -0.26 -0.04 3.93 3.56 3ho4A1 SER 567 H -0.28 0.63 0.39 -0.55 8.46 8.65 3ho4A1 SER 567 HA -0.06 0.19 0.46 -0.75 4.49 4.32 3ho4A1 SER 567 HB2 -0.08 0.04 -0.13 -0.04 3.95 3.73 3ho4A1 SER 567 HB3 -0.17 0.03 -0.05 -0.04 3.93 3.70 3ho4A1 SER 568 H -0.03 0.24 0.04 -0.55 8.46 8.17 3ho4A1 SER 568 HA 0.03 0.05 0.82 -0.75 4.49 4.63 3ho4A1 SER 568 HB2 0.04 0.09 -0.04 -0.04 3.95 4.00 3ho4A1 SER 568 HB3 0.04 -0.05 -0.04 -0.04 3.93 3.84 3ho4A1 LYS 569 H 0.13 0.10 0.05 -0.55 8.42 8.14 3ho4A1 LYS 569 HA 0.06 0.15 0.41 -0.75 4.32 4.19 3ho4A1 LYS 569 HB2 0.07 0.01 0.11 -0.04 1.87 2.02 3ho4A1 LYS 569 HB3 0.05 0.07 0.09 -0.04 1.79 1.96 3ho4A1 LYS 569 HG2 0.18 -0.06 -0.02 -0.04 1.46 1.51 3ho4A1 LYS 569 HG3 0.08 0.02 0.01 -0.04 1.46 1.53 3ho4A1 LYS 569 HD2 0.06 0.02 -0.04 -0.04 1.69 1.70 3ho4A1 LYS 569 HD3 0.06 0.05 -0.00 -0.04 1.68 1.75 3ho4A1 LYS 569 HE2 0.10 -0.10 -0.24 -0.04 2.99 2.71 3ho4A1 LYS 569 HE3 0.11 0.03 -0.10 -0.04 2.99 2.99 3ho4A1 THR 574 HA 0.06 -0.15 0.24 -0.75 4.39 3.78 3ho4A1 THR 574 HB 0.07 -0.01 -0.01 -0.04 4.32 4.33 3ho4A1 THR 574 HG23 0.04 -0.01 0.11 -0.04 1.22 1.31 3ho4A1 HIS 575 H 0.07 -0.12 0.11 -0.55 8.41 7.93 3ho4A1 HIS 575 HA -0.02 -0.07 0.33 -0.75 4.63 4.12 3ho4A1 HIS 575 HB2 -0.02 0.61 0.55 -0.04 3.26 4.36 3ho4A1 HIS 575 HB3 -0.03 -0.05 0.20 -0.04 3.20 3.28 3ho4A1 HIS 575 HD2 -0.06 0.05 0.01 -0.04 6.97 6.94 3ho4A1 HIS 575 HE1 -0.06 -0.03 -0.02 -0.04 7.75 7.60 3ho4A1 ASN 576 H -0.00 -0.06 0.17 -0.55 8.53 8.09 3ho4A1 ASN 576 HA 0.00 0.22 0.79 -0.75 4.76 5.03 3ho4A1 ASN 576 HB2 0.01 -0.04 0.14 -0.04 2.88 2.94 3ho4A1 ASN 576 HB3 0.02 -0.02 0.18 -0.04 2.79 2.92 3ho4A1 ASN 576 HD21 0.03 0.05 0.01 -0.04 7.03 7.07 3ho4A1 ASN 576 HD22 0.03 -0.07 0.01 -0.04 7.74 7.67 3ho4A1 GLY 577 H -0.08 0.49 -0.04 -0.55 8.43 8.26 3ho4A1 GLY 577 HA2 -0.05 0.26 0.64 -0.51 4.01 4.36 3ho4A1 GLY 577 HA3 -0.08 -0.12 0.14 -0.51 4.01 3.44 3ho4A1 LYS 578 H -0.03 0.71 0.44 -0.55 8.42 8.99 3ho4A1 LYS 578 HA -0.13 0.19 1.06 -0.75 4.32 4.69 3ho4A1 LYS 578 HB2 0.04 -0.04 0.06 -0.04 1.87 1.89 3ho4A1 LYS 578 HB3 -0.46 0.02 -0.01 -0.04 1.79 1.30 3ho4A1 LYS 578 HG2 -0.08 -0.03 -0.06 -0.04 1.46 1.25 3ho4A1 LYS 578 HG3 0.01 0.13 -0.11 -0.04 1.46 1.45 3ho4A1 LYS 578 HD2 -0.29 -0.04 -0.04 -0.04 1.69 1.27 3ho4A1 LYS 578 HD3 -0.14 -0.00 -0.03 -0.04 1.68 1.47 3ho4A1 LYS 578 HE2 0.15 -0.04 -0.04 -0.04 2.99 3.02 3ho4A1 LYS 578 HE3 0.09 -0.03 -0.03 -0.04 2.99 2.99 3ho4A1 LEU 579 H -0.19 0.84 0.35 -0.55 8.37 8.83 3ho4A1 LEU 579 HA -0.02 0.26 1.06 -0.75 4.35 4.90 3ho4A1 LEU 579 HB2 -0.10 0.01 -0.05 -0.04 1.64 1.47 3ho4A1 LEU 579 HB3 -0.11 -0.14 0.19 -0.04 1.64 1.54 3ho4A1 LEU 579 HG 0.10 0.03 -0.31 -0.04 1.64 1.41 3ho4A1 LEU 579 HD13 -0.18 0.02 -0.18 -0.04 0.93 0.55 3ho4A1 LEU 579 HD23 -0.26 -0.01 -0.14 -0.04 0.89 0.44 3ho4A1 TYR 580 H 0.18 0.81 0.34 -0.55 8.29 9.06 3ho4A1 TYR 580 HA 0.03 0.14 0.98 -0.75 4.56 4.96 3ho4A1 TYR 580 HB2 -0.05 0.02 0.03 -0.04 3.06 3.02 3ho4A1 TYR 580 HB3 -0.01 -0.01 -0.18 -0.04 2.98 2.73 3ho4A1 TYR 580 HD2 -0.02 0.02 -0.32 -0.04 7.15 6.79 3ho4A1 TYR 580 HE2 0.08 0.06 -0.07 -0.04 6.85 6.88 3ho4A1 LYS 581 H 0.10 0.86 0.35 -0.55 8.42 9.18 3ho4A1 LYS 581 HA -0.28 0.17 1.06 -0.75 4.32 4.50 3ho4A1 LYS 581 HB2 -0.19 -0.05 -0.04 -0.04 1.87 1.55 3ho4A1 LYS 581 HB3 -0.06 0.02 0.11 -0.04 1.79 1.83 3ho4A1 LYS 581 HG2 -0.17 0.05 -0.39 -0.04 1.46 0.91 3ho4A1 LYS 581 HG3 -0.51 0.06 0.02 -0.04 1.46 1.00 3ho4A1 LYS 581 HD2 -0.08 0.00 -0.07 -0.04 1.69 1.50 3ho4A1 LYS 581 HD3 -0.11 0.01 -0.07 -0.04 1.68 1.47 3ho4A1 LYS 581 HE2 -0.38 -0.08 -0.07 -0.04 2.99 2.43 3ho4A1 LYS 581 HE3 -0.34 -0.01 -0.12 -0.04 2.99 2.48 3ho4A1 ILE 582 H -0.24 0.56 0.36 -0.55 8.25 8.38 3ho4A1 ILE 582 HA -0.09 0.18 0.74 -0.75 4.18 4.25 3ho4A1 ILE 582 HB -0.21 0.02 0.10 -0.04 1.89 1.76 3ho4A1 ILE 582 HG12 -0.27 0.02 -0.13 -0.04 1.49 1.07 3ho4A1 ILE 582 HG13 -0.12 -0.09 -0.17 -0.04 1.21 0.79 3ho4A1 ILE 582 HG23 -0.23 -0.02 -0.18 -0.04 0.93 0.45 3ho4A1 ILE 582 HD13 -0.14 -0.00 -0.22 -0.04 0.88 0.47 3ho4A1 VAL 583 H 0.00 0.67 0.41 -0.55 8.24 8.77 3ho4A1 VAL 583 HA -0.01 0.08 0.84 -0.75 4.13 4.28 3ho4A1 VAL 583 HB -0.01 0.03 -0.10 -0.04 2.12 2.00 3ho4A1 VAL 583 HG13 -0.02 -0.02 -0.35 -0.04 0.97 0.54 3ho4A1 VAL 583 HG23 -0.04 0.02 -0.34 -0.04 0.95 0.55 3ho4A1 ASP 584 H 0.02 0.17 0.04 -0.55 8.40 8.08 3ho4A1 ASP 584 HA -0.20 0.25 0.88 -0.75 4.63 4.79 3ho4A1 ASP 584 HB2 0.11 -0.04 0.02 -0.04 2.71 2.75 3ho4A1 ASP 584 HB3 -0.01 0.10 0.11 -0.04 2.70 2.86 3ho4A1 PRO 585 HA -0.05 0.14 0.30 -0.51 4.44 4.32 3ho4A1 PRO 585 HB2 -0.06 0.02 -0.07 -0.04 2.28 2.13 3ho4A1 PRO 585 HB3 -0.05 0.01 0.01 -0.04 2.02 1.95 3ho4A1 PRO 585 HG2 -0.10 0.11 -0.07 -0.04 2.03 1.93 3ho4A1 PRO 585 HG3 -0.07 0.03 -0.12 -0.04 2.03 1.83 3ho4A1 PRO 585 HD2 -0.26 0.14 0.19 -0.04 3.68 3.71 3ho4A1 PRO 585 HD3 -0.20 0.25 0.37 -0.04 3.65 4.03 3ho4A1 LYS 586 H -0.13 0.03 -0.34 -0.55 8.42 7.43 3ho4A1 LYS 586 HA -0.05 0.11 0.55 -0.75 4.32 4.17 3ho4A1 LYS 586 HB2 -0.09 -0.07 -0.01 -0.04 1.87 1.66 3ho4A1 LYS 586 HB3 -0.05 -0.02 0.06 -0.04 1.79 1.74 3ho4A1 LYS 586 HG2 -0.08 0.08 -0.00 -0.04 1.46 1.41 3ho4A1 LYS 586 HG3 -0.17 -0.00 0.01 -0.04 1.46 1.27 3ho4A1 LYS 586 HD2 -0.16 0.06 0.01 -0.04 1.69 1.56 3ho4A1 LYS 586 HD3 -0.11 -0.09 0.00 -0.04 1.68 1.44 3ho4A1 LYS 586 HE2 -0.04 -0.06 -0.01 -0.04 2.99 2.84 3ho4A1 LYS 586 HE3 -0.04 -0.04 0.01 -0.04 2.99 2.87 3ho4A1 ARG 587 H -0.05 0.18 -0.23 -0.55 8.46 7.81 3ho4A1 ARG 587 HA -0.02 0.13 0.89 -0.75 4.34 4.58 3ho4A1 ARG 587 HB2 -0.01 0.07 0.17 -0.04 1.90 2.09 3ho4A1 ARG 587 HB3 0.00 0.07 0.17 -0.04 1.80 2.00 3ho4A1 ARG 587 HG2 -0.01 0.03 -0.03 -0.04 1.67 1.62 3ho4A1 ARG 587 HG3 -0.01 -0.18 0.02 -0.04 1.67 1.45 3ho4A1 ARG 587 HD2 0.03 -0.39 0.11 -0.04 3.22 2.92 3ho4A1 ARG 587 HD3 0.03 0.56 0.15 -0.04 3.22 3.92 3ho4A1 PRO 588 HA -0.01 0.08 0.53 -0.51 4.44 4.53 3ho4A1 PRO 588 HB2 -0.01 0.03 0.05 -0.04 2.28 2.31 3ho4A1 PRO 588 HB3 -0.01 -0.02 0.14 -0.04 2.02 2.09 3ho4A1 PRO 588 HG2 -0.01 -0.04 0.11 -0.04 2.03 2.05 3ho4A1 PRO 588 HG3 -0.01 0.07 0.08 -0.04 2.03 2.13 3ho4A1 PRO 588 HD2 -0.01 0.08 0.21 -0.04 3.68 3.93 3ho4A1 PRO 588 HD3 -0.01 0.16 0.26 -0.04 3.65 4.02 3ho4A1 LEU 589 H -0.01 0.09 0.09 -0.55 8.37 8.00 3ho4A1 LEU 589 HA -0.01 0.16 0.39 -0.75 4.35 4.14 3ho4A1 LEU 589 HB2 -0.01 -0.02 0.12 -0.04 1.64 1.68 3ho4A1 LEU 589 HB3 -0.01 0.01 0.08 -0.04 1.64 1.69 3ho4A1 LEU 589 HG -0.01 0.02 0.00 -0.04 1.64 1.61 3ho4A1 LEU 589 HD13 -0.01 -0.00 -0.00 -0.04 0.93 0.87 3ho4A1 LEU 589 HD23 -0.02 0.01 -0.06 -0.04 0.89 0.78 3ho4A1 PRO 591 HA -0.01 -0.06 0.24 -0.51 4.44 4.10 3ho4A1 PRO 591 HB2 -0.01 -0.08 -0.10 -0.04 2.28 2.06 3ho4A1 PRO 591 HB3 -0.01 -0.02 0.07 -0.04 2.02 2.02 3ho4A1 PRO 591 HG2 0.01 0.13 -0.10 -0.04 2.03 2.02 3ho4A1 PRO 591 HG3 -0.00 0.01 -0.01 -0.04 2.03 1.98 3ho4A1 PRO 591 HD2 0.00 -0.01 -0.08 -0.04 3.68 3.55 3ho4A1 PRO 591 HD3 -0.00 0.09 -2.88 -0.04 3.65 0.81 3ho4A1 GLU 592 H -0.01 0.14 0.11 -0.55 8.60 8.30 3ho4A1 GLU 592 HA -0.01 0.08 0.36 -0.75 4.29 3.97 3ho4A1 GLU 592 HB2 -0.01 -0.03 0.16 -0.04 2.09 2.16 3ho4A1 GLU 592 HB3 -0.01 0.06 0.03 -0.04 1.99 2.03 3ho4A1 GLU 592 HG2 -0.01 0.02 0.06 -0.04 2.34 2.37 3ho4A1 GLU 592 HG3 -0.01 -0.02 0.11 -0.04 2.34 2.38 3ho4A1 GLU 593 H -0.01 0.06 -0.12 -0.55 8.60 7.97 3ho4A1 GLU 593 HA -0.02 0.06 0.29 -0.75 4.29 3.86 3ho4A1 GLU 593 HB2 -0.03 0.08 -0.09 -0.04 2.09 2.02 3ho4A1 GLU 593 HB3 -0.03 0.05 0.08 -0.04 1.99 2.04 3ho4A1 GLU 593 HG2 -0.03 0.04 0.02 -0.04 2.34 2.34 3ho4A1 GLU 593 HG3 -0.02 -0.10 0.06 -0.04 2.34 2.24 3ho4A1 CYS 594 H -0.01 0.32 -0.63 -0.55 8.50 7.62 3ho4A1 CYS 594 HA -0.02 0.14 0.42 -0.75 4.58 4.36 3ho4A1 CYS 594 HB2 -0.01 0.16 0.07 -0.04 2.97 3.15 3ho4A1 CYS 594 HB3 -0.01 -0.09 0.06 -0.04 2.97 2.90 3ho4A1 ARG 595 H -0.01 0.29 -0.10 -0.55 8.46 8.09 3ho4A1 ARG 595 HA -0.01 -0.03 0.40 -0.75 4.34 3.94 3ho4A1 ARG 595 HB2 -0.01 0.07 0.08 -0.04 1.90 2.00 3ho4A1 ARG 595 HB3 -0.01 -0.07 -0.00 -0.04 1.80 1.67 3ho4A1 ARG 595 HG2 -0.01 -0.04 0.00 -0.04 1.67 1.58 3ho4A1 ARG 595 HG3 -0.01 0.13 0.08 -0.04 1.67 1.84 3ho4A1 ARG 595 HD2 -0.01 0.01 0.02 -0.04 3.22 3.20 3ho4A1 ARG 595 HD3 -0.01 -0.05 -0.01 -0.04 3.22 3.11 3ho4A1 ALA 596 H -0.01 0.17 0.18 -0.55 8.40 8.20 3ho4A1 ALA 596 HA -0.01 0.06 0.49 -0.75 4.34 4.12 3ho4A1 ALA 596 HB3 -0.02 0.05 -0.05 -0.04 1.41 1.35 3ho4A1 THR 597 H -0.01 0.17 0.10 -0.55 8.28 7.99 3ho4A1 THR 597 HA -0.01 0.05 0.68 -0.75 4.39 4.36 3ho4A1 THR 597 HB -0.00 0.08 -0.04 -0.04 4.32 4.32 3ho4A1 THR 597 HG23 -0.00 -0.01 -0.01 -0.04 1.22 1.16 3ho4A1 VAL 598 H -0.01 0.11 0.21 -0.55 8.24 8.00 3ho4A1 VAL 598 HA -0.00 0.22 0.64 -0.75 4.13 4.23 3ho4A1 VAL 598 HB -0.01 -0.01 0.15 -0.04 2.12 2.21 3ho4A1 VAL 598 HG13 -0.01 0.01 0.14 -0.04 0.97 1.08 3ho4A1 VAL 598 HG23 0.00 -0.04 -0.10 -0.04 0.95 0.78 3ho4A1 GLN 599 H 0.01 0.38 -0.11 -0.55 8.47 8.21 3ho4A1 GLN 599 HA 0.02 0.20 0.83 -0.75 4.36 4.65 3ho4A1 GLN 599 HB2 0.02 -0.06 0.11 -0.04 2.15 2.18 3ho4A1 GLN 599 HB3 0.02 0.07 -0.00 -0.04 2.02 2.06 3ho4A1 GLN 599 HG2 0.01 -0.01 -0.04 -0.04 2.40 2.31 3ho4A1 GLN 599 HG3 0.01 0.01 -0.36 -0.04 2.39 2.00 3ho4A1 GLN 599 HE21 0.01 -0.01 -0.00 -0.04 6.97 6.92 3ho4A1 GLN 599 HE22 0.00 -0.03 -0.04 -0.04 7.69 7.58 3ho4A1 PRO 600 HA 0.07 -0.16 0.19 -0.51 4.44 4.02 3ho4A1 PRO 600 HB2 0.05 0.11 -0.01 -0.04 2.28 2.39 3ho4A1 PRO 600 HB3 0.08 -0.03 0.06 -0.04 2.02 2.08 3ho4A1 PRO 600 HG2 0.03 0.04 0.05 -0.04 2.03 2.11 3ho4A1 PRO 600 HG3 0.03 -0.01 0.02 -0.04 2.03 2.03 3ho4A1 PRO 600 HD2 0.02 0.11 0.11 -0.04 3.68 3.89 3ho4A1 PRO 600 HD3 0.02 0.37 0.21 -0.04 3.65 4.21 3ho4A1 ALA 601 H 0.12 -0.06 0.15 -0.55 8.40 8.06 3ho4A1 ALA 601 HA 0.06 0.09 0.43 -0.75 4.34 4.17 3ho4A1 ALA 601 HB3 0.07 -0.01 0.04 -0.04 1.41 1.47 3ho4A1 GLN 602 H 0.00 0.21 0.20 -0.55 8.47 8.34 3ho4A1 GLN 602 HA -0.02 0.09 0.81 -0.75 4.36 4.49 3ho4A1 GLN 602 HB2 0.00 0.04 0.00 -0.04 2.15 2.16 3ho4A1 GLN 602 HB3 -0.02 0.09 -0.03 -0.04 2.02 2.02 3ho4A1 GLN 602 HG2 -0.01 -0.03 -0.02 -0.04 2.40 2.31 3ho4A1 GLN 602 HG3 -0.01 -0.01 0.05 -0.04 2.39 2.38 3ho4A1 GLN 602 HE21 0.01 -0.05 -0.02 -0.04 6.97 6.87 3ho4A1 GLN 602 HE22 -0.00 -0.02 0.00 -0.04 7.69 7.63 3ho4A1 THR 603 H -0.03 0.07 0.10 -0.55 8.28 7.88 3ho4A1 THR 603 HA -0.05 0.00 0.36 -0.75 4.39 3.95 3ho4A1 THR 603 HB -0.03 0.23 0.00 -0.04 4.32 4.48 3ho4A1 THR 603 HG23 -0.03 -0.04 -0.06 -0.04 1.22 1.05 3ho4A1 LEU 604 H -0.06 0.10 0.13 -0.55 8.37 7.99 3ho4A1 LEU 604 HA -0.07 0.08 0.49 -0.75 4.35 4.10 3ho4A1 LEU 604 HB2 -0.06 0.02 0.10 -0.04 1.64 1.67 3ho4A1 LEU 604 HB3 -0.07 -0.09 0.04 -0.04 1.64 1.48 3ho4A1 LEU 604 HG -0.10 -0.02 0.04 -0.04 1.64 1.52 3ho4A1 LEU 604 HD13 -0.06 -0.00 -0.08 -0.04 0.93 0.74 3ho4A1 LEU 604 HD23 -0.14 0.01 -0.15 -0.04 0.89 0.57 3ho4A1 THR 605 H -0.05 0.13 0.25 -0.55 8.28 8.05 3ho4A1 THR 605 HA -0.05 0.22 0.76 -0.75 4.39 4.57 3ho4A1 THR 605 HB -0.03 -0.06 0.15 -0.04 4.32 4.33 3ho4A1 THR 605 HG23 -0.03 0.05 -0.13 -0.04 1.22 1.07 3ho4A1 SER 606 H -0.05 0.10 0.12 -0.55 8.46 8.08 3ho4A1 SER 606 HA -0.03 0.05 0.47 -0.75 4.49 4.23 3ho4A1 SER 606 HB2 -0.02 -0.03 0.08 -0.04 3.95 3.94 3ho4A1 SER 606 HB3 -0.04 0.33 0.19 -0.04 3.93 4.36 3ho4A1 GLU 607 H -0.03 0.15 0.20 -0.55 8.60 8.37 3ho4A1 GLU 607 HA -0.16 0.11 0.34 -0.75 4.29 3.83 3ho4A1 GLU 607 HB2 -0.02 0.01 0.19 -0.04 2.09 2.23 3ho4A1 GLU 607 HB3 0.04 0.04 0.11 -0.04 1.99 2.13 3ho4A1 GLU 607 HG2 -0.50 -0.01 -0.02 -0.04 2.34 1.77 3ho4A1 GLU 607 HG3 -0.14 0.01 0.06 -0.04 2.34 2.23 3ho4A1 CYS 608 H 0.03 0.10 -0.10 -0.55 8.50 7.98 3ho4A1 CYS 608 HA 0.12 0.04 0.40 -0.75 4.58 4.38 3ho4A1 CYS 608 HB2 0.20 0.26 0.09 -0.04 2.97 3.48 3ho4A1 CYS 608 HB3 0.06 -0.05 -0.05 -0.04 2.97 2.89 3ho4A1 SER 609 H -0.04 0.00 -0.42 -0.55 8.46 7.46 3ho4A1 SER 609 HA -0.03 0.13 0.30 -0.75 4.49 4.14 3ho4A1 SER 609 HB2 -0.04 -0.00 0.01 -0.04 3.95 3.87 3ho4A1 SER 609 HB3 -0.05 0.01 -0.02 -0.04 3.93 3.82 3ho4A1 ARG 610 H -0.11 0.24 -0.36 -0.55 8.46 7.68 3ho4A1 ARG 610 HA -0.08 0.16 0.68 -0.75 4.34 4.35 3ho4A1 ARG 610 HB2 -0.10 -0.06 -0.07 -0.04 1.90 1.63 3ho4A1 ARG 610 HB3 -0.08 0.00 -0.06 -0.04 1.80 1.62 3ho4A1 ARG 610 HG2 -0.13 0.23 0.03 -0.04 1.67 1.75 3ho4A1 ARG 610 HG3 -0.17 -0.07 0.02 -0.04 1.67 1.41 3ho4A1 ARG 610 HD2 -0.07 -0.02 -0.11 -0.04 3.22 2.98 3ho4A1 ARG 610 HD3 -0.08 0.18 -0.42 -0.04 3.22 2.85 3ho4A1 LEU 611 H -0.27 0.45 0.06 -0.55 8.37 8.06 3ho4A1 LEU 611 HA -0.16 0.08 0.38 -0.75 4.35 3.89 3ho4A1 LEU 611 HB2 -1.04 0.08 0.08 -0.04 1.64 0.71 3ho4A1 LEU 611 HB3 -0.41 -0.10 0.01 -0.04 1.64 1.10 3ho4A1 LEU 611 HG -0.33 0.02 0.04 -0.04 1.64 1.33 3ho4A1 LEU 611 HD13 -0.50 -0.03 -0.01 -0.04 0.93 0.34 3ho4A1 LEU 611 HD23 -0.15 -0.01 -0.05 -0.04 0.89 0.65 3ho4A1 CYS 612 H -0.09 0.29 -0.11 -0.55 8.50 8.04 3ho4A1 CYS 612 HA 0.15 -0.06 0.29 -0.75 4.58 4.21 3ho4A1 CYS 612 HB2 0.22 -0.19 0.11 -0.04 2.97 3.08 3ho4A1 CYS 612 HB3 0.03 0.23 0.10 -0.04 2.97 3.29 3ho4A1 ARG 613 H -0.03 0.32 0.33 -0.55 8.46 8.53 3ho4A1 ARG 613 HA -0.11 -0.01 0.18 -0.75 4.34 3.65 3ho4A1 ARG 613 HB2 -0.12 0.01 0.15 -0.04 1.90 1.90 3ho4A1 ARG 613 HB3 -0.32 -0.03 0.15 -0.04 1.80 1.56 3ho4A1 ARG 613 HG2 -0.23 -0.03 -0.09 -0.04 1.67 1.28 3ho4A1 ARG 613 HG3 -0.14 -0.07 0.05 -0.04 1.67 1.46 3ho4A1 ARG 613 HD2 -0.30 -0.06 0.03 -0.04 3.22 2.84 3ho4A1 ARG 613 HD3 -0.52 0.10 0.07 -0.04 3.22 2.83 3ho4A1 ASN 614 H -0.38 0.21 0.10 -0.55 8.53 7.92 3ho4A1 ASN 614 HA -0.13 0.30 0.20 -0.75 4.76 4.38 3ho4A1 ASN 614 HB2 -0.22 0.03 -0.03 -0.04 2.88 2.63 3ho4A1 ASN 614 HB3 -0.29 -0.07 -0.02 -0.04 2.79 2.37 3ho4A1 ASN 614 HD21 -0.03 -0.04 0.02 -0.04 7.03 6.94 3ho4A1 ASN 614 HD22 -0.07 -0.04 0.00 -0.04 7.74 7.59 3ho4A1 GLY 615 H -0.05 0.08 0.08 -0.55 8.43 7.99 3ho4A1 GLY 615 HA2 0.03 -0.06 0.42 -0.51 4.01 3.89 3ho4A1 GLY 615 HA3 -0.08 0.16 0.30 -0.51 4.01 3.88 3ho4A1 TYR 616 H 0.01 0.14 0.09 -0.55 8.29 7.97 3ho4A1 TYR 616 HA -0.00 0.20 0.60 -0.75 4.56 4.60 3ho4A1 TYR 616 HB2 0.02 -0.07 0.11 -0.04 3.06 3.08 3ho4A1 TYR 616 HB3 0.01 0.02 0.04 -0.04 2.98 3.01 3ho4A1 TYR 616 HD2 0.04 -0.06 -0.09 -0.04 7.15 7.00 3ho4A1 TYR 616 HE2 0.04 0.01 -0.10 -0.04 6.85 6.76 3ho4A1 CYS 617 H 0.29 0.20 -0.02 -0.55 8.50 8.42 3ho4A1 CYS 617 HA 0.02 0.21 0.83 -0.75 4.58 4.88 3ho4A1 CYS 617 HB2 0.04 0.16 -0.44 -0.04 2.97 2.68 3ho4A1 CYS 617 HB3 0.06 -0.02 -0.04 -0.04 2.97 2.93 3ho4A1 THR 618 H 0.06 0.54 0.22 -0.55 8.28 8.55 3ho4A1 THR 618 HA 0.21 0.17 0.39 -0.75 4.39 4.40 3ho4A1 THR 618 HB 0.15 0.07 0.23 -0.04 4.32 4.73 3ho4A1 THR 618 HG23 0.17 0.03 -0.03 -0.04 1.22 1.35 3ho4A1 PRO 619 HA -0.08 0.12 0.33 -0.51 4.44 4.30 3ho4A1 PRO 619 HB2 -0.11 -0.04 -0.06 -0.04 2.28 2.03 3ho4A1 PRO 619 HB3 -0.14 0.02 0.09 -0.04 2.02 1.95 3ho4A1 PRO 619 HG2 0.21 0.01 -0.06 -0.04 2.03 2.15 3ho4A1 PRO 619 HG3 0.37 0.05 0.00 -0.04 2.03 2.41 3ho4A1 PRO 619 HD2 0.23 0.16 0.32 -0.04 3.68 4.34 3ho4A1 PRO 619 HD3 0.23 0.19 0.22 -0.04 3.65 4.24 3ho4A1 THR 620 H 0.06 0.09 -0.52 -0.55 8.28 7.36 3ho4A1 THR 620 HA 0.03 0.10 0.55 -0.75 4.39 4.31 3ho4A1 THR 620 HB 0.04 -0.02 -0.12 -0.04 4.32 4.18 3ho4A1 THR 620 HG23 0.06 -0.03 -0.21 -0.04 1.22 1.01 3ho4A1 GLY 621 H 0.03 0.59 -0.07 -0.55 8.43 8.44 3ho4A1 GLY 621 HA2 0.04 0.01 0.19 -0.51 4.01 3.75 3ho4A1 GLY 621 HA3 0.05 0.11 0.78 -0.51 4.01 4.44 3ho4A1 LYS 622 H 0.03 0.01 -0.01 -0.55 8.42 7.89 3ho4A1 LYS 622 HA -0.05 0.09 0.58 -0.75 4.32 4.18 3ho4A1 LYS 622 HB2 -0.02 -0.02 0.05 -0.04 1.87 1.84 3ho4A1 LYS 622 HB3 0.00 -0.01 0.13 -0.04 1.79 1.88 3ho4A1 LYS 622 HG2 -0.06 -0.02 -0.36 -0.04 1.46 0.98 3ho4A1 LYS 622 HG3 -0.09 0.06 -0.19 -0.04 1.46 1.20 3ho4A1 LYS 622 HD2 -0.05 -0.09 -0.00 -0.04 1.69 1.51 3ho4A1 LYS 622 HD3 -0.03 0.15 -0.01 -0.04 1.68 1.75 3ho4A1 LYS 622 HE2 -0.07 0.00 -0.17 -0.04 2.99 2.70 3ho4A1 LYS 622 HE3 -0.08 -0.04 -0.04 -0.04 2.99 2.79 3ho4A1 CYS 623 H -0.14 0.21 0.19 -0.55 8.50 8.21 3ho4A1 CYS 623 HA -0.06 0.23 0.91 -0.75 4.58 4.91 3ho4A1 CYS 623 HB2 0.14 -0.05 0.05 -0.04 2.97 3.07 3ho4A1 CYS 623 HB3 -0.15 0.24 0.28 -0.04 2.97 3.31 3ho4A1 CYS 624 H -0.32 0.42 -0.04 -0.55 8.50 8.01 3ho4A1 CYS 624 HA -0.19 0.05 0.64 -0.75 4.58 4.32 3ho4A1 CYS 624 HB2 -1.42 -0.07 -0.03 -0.04 2.97 1.41 3ho4A1 CYS 624 HB3 -0.46 0.09 -0.10 -0.04 2.97 2.47 3ho4A1 CYS 625 H -0.08 0.10 0.10 -0.55 8.50 8.07 3ho4A1 CYS 625 HA -0.02 0.11 0.26 -0.75 4.58 4.18 3ho4A1 CYS 625 HB2 0.05 -0.06 0.11 -0.04 2.97 3.03 3ho4A1 CYS 625 HB3 0.19 0.07 -0.01 -0.04 2.97 3.18 3ho4A1 SER 626 H 0.05 0.24 0.30 -0.55 8.46 8.50 3ho4A1 SER 626 HA 0.11 0.10 0.65 -0.75 4.49 4.61 3ho4A1 SER 626 HB2 0.19 0.04 0.01 -0.04 3.95 4.14 3ho4A1 SER 626 HB3 0.10 -0.05 0.14 -0.04 3.93 4.08 3ho4A1 PRO 627 HA 0.06 -0.04 0.38 -0.51 4.44 4.33 3ho4A1 PRO 627 HB2 0.07 0.01 0.13 -0.04 2.28 2.45 3ho4A1 PRO 627 HB3 0.04 -0.01 0.09 -0.04 2.02 2.10 3ho4A1 PRO 627 HG2 0.07 0.02 0.11 -0.04 2.03 2.18 3ho4A1 PRO 627 HG3 0.06 0.04 0.13 -0.04 2.03 2.21 3ho4A1 PRO 627 HD2 0.11 0.07 0.22 -0.04 3.68 4.04 3ho4A1 PRO 627 HD3 0.09 0.20 0.24 -0.04 3.65 4.15 3ho4A1 GLY 628 H 0.02 0.09 0.19 -0.55 8.43 8.18 3ho4A1 GLY 628 HA2 -0.13 -0.08 0.34 -0.51 4.01 3.63 3ho4A1 GLY 628 HA3 -0.22 0.11 0.61 -0.51 4.01 4.00 3ho4A1 TRP 629 H 0.17 0.32 0.07 -0.55 7.97 7.98 3ho4A1 TRP 629 HA -0.00 0.25 0.97 -0.75 4.62 5.08 3ho4A1 TRP 629 HB2 -0.01 -0.04 0.10 -0.04 3.23 3.24 3ho4A1 TRP 629 HB3 -0.00 0.11 0.10 -0.04 3.23 3.40 3ho4A1 TRP 629 HD1 0.01 0.14 -0.27 -0.04 7.22 7.06 3ho4A1 TRP 629 HE1 0.01 -0.07 -0.05 -0.04 10.20 10.05 3ho4A1 TRP 629 HE3 0.01 0.09 -0.44 -0.04 7.59 7.21 3ho4A1 TRP 629 HZ2 0.01 -0.08 0.04 -0.04 7.44 7.37 3ho4A1 TRP 629 HZ3 0.01 0.08 -0.17 -0.04 7.13 7.00 3ho4A1 TRP 629 HH2 0.01 0.07 0.09 -0.04 7.19 7.32 3ho4A1 GLU 630 H 0.20 0.73 0.23 -0.55 8.60 9.22 3ho4A1 GLU 630 HA 0.07 0.20 0.69 -0.75 4.29 4.49 3ho4A1 GLU 630 HB2 0.02 -0.11 0.09 -0.04 2.09 2.04 3ho4A1 GLU 630 HB3 0.02 0.08 -0.13 -0.04 1.99 1.92 3ho4A1 GLU 630 HG2 0.02 0.09 -0.24 -0.04 2.34 2.17 3ho4A1 GLU 630 HG3 0.03 -0.06 -0.22 -0.04 2.34 2.05 3ho4A1 GLY 631 H 0.01 0.18 0.10 -0.55 8.43 8.17 3ho4A1 GLY 631 HA2 -0.00 0.05 0.42 -0.51 4.01 3.97 3ho4A1 GLY 631 HA3 0.04 0.11 0.88 -0.51 4.01 4.54 3ho4A1 ASP 632 H -0.08 0.16 0.16 -0.55 8.40 8.10 3ho4A1 ASP 632 HA -0.29 0.11 0.38 -0.75 4.63 4.07 3ho4A1 ASP 632 HB2 -0.22 -0.04 0.09 -0.04 2.71 2.50 3ho4A1 ASP 632 HB3 -0.85 0.07 0.04 -0.04 2.70 1.92 3ho4A1 PHE 633 H 0.01 -0.11 -0.50 -0.55 8.34 7.18 3ho4A1 PHE 633 HA -0.04 0.27 0.67 -0.75 4.62 4.77 3ho4A1 PHE 633 HB2 -0.02 -0.04 -0.10 -0.04 3.15 2.94 3ho4A1 PHE 633 HB3 -0.04 0.07 -0.26 -0.04 3.06 2.79 3ho4A1 PHE 633 HD2 -0.02 0.01 -0.07 -0.04 7.28 7.15 3ho4A1 PHE 633 HE2 -0.02 0.00 -0.08 -0.04 7.38 7.24 3ho4A1 PHE 633 HZ -0.01 -0.04 -0.08 -0.04 7.32 7.15 3ho4A1 CYS 634 H 0.02 0.33 -0.40 -0.55 8.50 7.91 3ho4A1 CYS 634 HA 0.12 -0.00 -0.08 -0.75 4.58 3.87 3ho4A1 CYS 634 HB2 -0.08 0.14 -0.30 -0.04 2.97 2.69 3ho4A1 CYS 634 HB3 0.05 0.01 0.04 -0.04 2.97 3.03 3ho4A1 ARG 635 H 0.12 -0.13 -0.21 -0.55 8.46 7.69 3ho4A1 ARG 635 HA 0.03 0.20 0.52 -0.75 4.34 4.34 3ho4A1 ARG 635 HB2 0.10 -0.09 0.01 -0.04 1.90 1.87 3ho4A1 ARG 635 HB3 0.07 0.02 0.12 -0.04 1.80 1.97 3ho4A1 ARG 635 HG2 0.05 0.25 -0.12 -0.04 1.67 1.81 3ho4A1 ARG 635 HG3 0.13 -0.22 -0.13 -0.04 1.67 1.40 3ho4A1 ARG 635 HD2 0.03 -0.05 0.03 -0.04 3.22 3.19 3ho4A1 ARG 635 HD3 -0.01 0.20 0.07 -0.04 3.22 3.45 3ho4A1 THR 636 H 0.22 0.29 -0.01 -0.55 8.28 8.24 3ho4A1 THR 636 HA 0.17 0.14 0.83 -0.75 4.39 4.78 3ho4A1 THR 636 HB 0.08 -0.03 0.01 -0.04 4.32 4.34 3ho4A1 THR 636 HG23 0.03 0.04 0.01 -0.04 1.22 1.25 3ho4A1 ALA 637 H 0.00 0.18 0.18 -0.55 8.40 8.21 3ho4A1 ALA 637 HA -0.73 0.28 0.80 -0.75 4.34 3.94 3ho4A1 ALA 637 HB3 -0.54 0.08 -0.33 -0.04 1.41 0.58 3ho4A1 LYS 638 H -0.47 0.51 0.20 -0.55 8.42 8.09 3ho4A1 LYS 638 HA -0.13 0.08 0.59 -0.75 4.32 4.11 3ho4A1 LYS 638 HB2 -0.20 0.17 -0.13 -0.04 1.87 1.67 3ho4A1 LYS 638 HB3 -0.16 -0.07 0.09 -0.04 1.79 1.61 3ho4A1 LYS 638 HG2 -0.07 -0.00 -0.14 -0.04 1.46 1.20 3ho4A1 LYS 638 HG3 -0.07 0.01 -0.17 -0.04 1.46 1.19 3ho4A1 LYS 638 HD2 -0.04 0.05 -0.28 -0.04 1.69 1.38 3ho4A1 LYS 638 HD3 -0.07 -0.07 -0.08 -0.04 1.68 1.43 3ho4A1 LYS 638 HE2 -0.04 -0.00 -0.08 -0.04 2.99 2.83 3ho4A1 LYS 638 HE3 -0.03 -0.01 -0.10 -0.04 2.99 2.81 3ho4A1 CYS 639 H -0.10 0.24 0.06 -0.55 8.50 8.16 3ho4A1 CYS 639 HA -0.10 0.02 0.97 -0.75 4.58 4.71 3ho4A1 CYS 639 HB2 -0.07 -0.06 0.05 -0.04 2.97 2.84 3ho4A1 CYS 639 HB3 -0.07 0.18 -0.14 -0.04 2.97 2.91 3ho4A1 GLU 640 H -0.06 0.12 0.05 -0.55 8.60 8.15 3ho4A1 GLU 640 HA -0.05 -0.01 0.05 -0.75 4.29 3.53 3ho4A1 GLU 640 HB2 -0.04 0.03 0.15 -0.04 2.09 2.19 3ho4A1 GLU 640 HB3 -0.03 -0.02 -0.03 -0.04 1.99 1.87 3ho4A1 GLU 640 HG2 -0.06 0.01 0.04 -0.04 2.34 2.30 3ho4A1 GLU 640 HG3 -0.04 0.01 0.02 -0.04 2.34 2.29 3ho4A1 PRO 641 HA -0.04 0.08 0.68 -0.51 4.44 4.65 3ho4A1 PRO 641 HB2 -0.04 0.07 -0.03 -0.04 2.28 2.25 3ho4A1 PRO 641 HB3 -0.03 -0.01 0.12 -0.04 2.02 2.06 3ho4A1 PRO 641 HG2 -0.03 0.02 0.02 -0.04 2.03 2.01 3ho4A1 PRO 641 HG3 -0.02 0.00 0.04 -0.04 2.03 2.01 3ho4A1 PRO 641 HD2 -0.03 0.04 0.13 -0.04 3.68 3.78 3ho4A1 PRO 641 HD3 -0.03 0.08 0.05 -0.04 3.65 3.71 3ho4A1 ALA 642 H -0.05 0.02 0.01 -0.55 8.40 7.84 3ho4A1 ALA 642 HA -0.06 0.11 0.20 -0.75 4.34 3.84 3ho4A1 ALA 642 HB3 -0.06 -0.00 0.06 -0.04 1.41 1.37 3ho4A1 CYS 643 H -0.06 0.07 0.06 -0.55 8.50 8.03 3ho4A1 CYS 643 HA -0.05 0.13 0.68 -0.75 4.58 4.58 3ho4A1 CYS 643 HB2 -0.05 0.10 -0.22 -0.04 2.97 2.76 3ho4A1 CYS 643 HB3 -0.04 -0.01 -0.23 -0.04 2.97 2.65 3ho4A1 ARG 644 H -0.08 0.77 0.21 -0.55 8.46 8.80 3ho4A1 ARG 644 HA -0.22 0.13 0.80 -0.75 4.34 4.29 3ho4A1 ARG 644 HB2 -0.30 0.11 -0.17 -0.04 1.90 1.49 3ho4A1 ARG 644 HB3 -0.55 -0.12 0.07 -0.04 1.80 1.16 3ho4A1 ARG 644 HG2 -0.13 0.05 -0.38 -0.04 1.67 1.17 3ho4A1 ARG 644 HG3 -0.11 -0.00 -0.12 -0.04 1.67 1.40 3ho4A1 ARG 644 HD2 -0.19 -0.04 -0.07 -0.04 3.22 2.88 3ho4A1 ARG 644 HD3 -0.11 -0.00 -0.10 -0.04 3.22 2.97 3ho4A1 HIS 645 H -0.60 0.11 0.11 -0.55 8.41 7.49 3ho4A1 HIS 645 HA -0.24 -0.01 0.35 -0.75 4.63 3.98 3ho4A1 HIS 645 HB2 -0.84 0.14 -0.04 -0.04 3.26 2.48 3ho4A1 HIS 645 HB3 -1.10 -0.01 0.12 -0.04 3.20 2.17 3ho4A1 HIS 645 HD2 -0.16 -0.04 0.04 -0.04 6.97 6.77 3ho4A1 HIS 645 HE1 -0.00 0.15 0.04 -0.04 7.75 7.89 3ho4A1 GLY 646 H -0.11 0.08 -0.19 -0.55 8.43 7.66 3ho4A1 GLY 646 HA2 -0.05 -0.01 0.25 -0.51 4.01 3.69 3ho4A1 GLY 646 HA3 -0.05 0.04 0.34 -0.51 4.01 3.84 3ho4A1 GLY 647 H -0.08 0.41 -0.61 -0.55 8.43 7.61 3ho4A1 GLY 647 HA2 -0.01 0.15 0.42 -0.51 4.01 4.06 3ho4A1 GLY 647 HA3 -0.03 -0.01 0.09 -0.51 4.01 3.56 3ho4A1 VAL 648 H -0.00 0.44 0.25 -0.55 8.24 8.38 3ho4A1 VAL 648 HA -0.02 0.15 0.84 -0.75 4.13 4.35 3ho4A1 VAL 648 HB 0.01 0.01 0.18 -0.04 2.12 2.28 3ho4A1 VAL 648 HG13 0.01 -0.02 -0.20 -0.04 0.97 0.72 3ho4A1 VAL 648 HG23 0.00 0.04 -0.07 -0.04 0.95 0.88 3ho4A1 CYS 649 H -0.03 0.18 0.11 -0.55 8.50 8.22 3ho4A1 CYS 649 HA -0.05 0.21 0.67 -0.75 4.58 4.65 3ho4A1 CYS 649 HB2 -0.06 -0.08 0.06 -0.04 2.97 2.84 3ho4A1 CYS 649 HB3 -0.06 0.02 0.20 -0.04 2.97 3.09 3ho4A1 VAL 650 H -0.02 0.37 0.25 -0.55 8.24 8.29 3ho4A1 VAL 650 HA 0.03 0.05 0.34 -0.75 4.13 3.80 3ho4A1 VAL 650 HB 0.05 0.00 -0.02 -0.04 2.12 2.11 3ho4A1 VAL 650 HG13 0.03 0.00 -0.04 -0.04 0.97 0.92 3ho4A1 VAL 650 HG23 0.01 0.03 -0.04 -0.04 0.95 0.90 3ho4A1 ARG 651 H -0.06 0.19 0.10 -0.55 8.46 8.14 3ho4A1 ARG 651 HA -0.19 0.25 0.70 -0.75 4.34 4.35 3ho4A1 ARG 651 HB2 -0.01 -0.08 -0.03 -0.04 1.90 1.74 3ho4A1 ARG 651 HB3 0.01 0.11 0.09 -0.04 1.80 1.97 3ho4A1 ARG 651 HG2 0.23 0.08 0.00 -0.04 1.67 1.94 3ho4A1 ARG 651 HG3 0.11 -0.06 -0.43 -0.04 1.67 1.25 3ho4A1 ARG 651 HD2 0.05 -0.02 -0.06 -0.04 3.22 3.15 3ho4A1 ARG 651 HD3 0.10 0.02 -0.03 -0.04 3.22 3.27 3ho4A1 PRO 652 HA -0.39 0.08 0.59 -0.51 4.44 4.21 3ho4A1 PRO 652 HB2 -0.18 -0.04 0.15 -0.04 2.28 2.18 3ho4A1 PRO 652 HB3 -0.33 0.01 0.26 -0.04 2.02 1.92 3ho4A1 PRO 652 HG2 -0.20 0.09 0.11 -0.04 2.03 1.99 3ho4A1 PRO 652 HG3 -1.32 0.22 0.10 -0.04 2.03 0.99 3ho4A1 PRO 652 HD2 -0.09 0.05 0.18 -0.04 3.68 3.79 3ho4A1 PRO 652 HD3 -0.72 0.16 0.18 -0.04 3.65 3.23 3ho4A1 ASN 653 H -0.17 0.38 0.27 -0.55 8.53 8.47 3ho4A1 ASN 653 HA -0.08 -0.09 0.38 -0.75 4.76 4.21 3ho4A1 ASN 653 HB2 -0.07 0.19 -0.15 -0.04 2.88 2.81 3ho4A1 ASN 653 HB3 -0.04 -0.04 0.25 -0.04 2.79 2.91 3ho4A1 ASN 653 HD21 -0.04 -0.04 0.03 -0.04 7.03 6.94 3ho4A1 ASN 653 HD22 -0.04 0.02 0.03 -0.04 7.74 7.72 3ho4A1 LYS 654 H -0.10 0.53 -0.43 -0.55 8.42 7.86 3ho4A1 LYS 654 HA -0.02 0.18 0.94 -0.75 4.32 4.66 3ho4A1 LYS 654 HB2 -0.02 0.10 -0.15 -0.04 1.87 1.76 3ho4A1 LYS 654 HB3 -0.03 -0.20 0.04 -0.04 1.79 1.55 3ho4A1 LYS 654 HG2 0.01 -0.03 -0.07 -0.04 1.46 1.33 3ho4A1 LYS 654 HG3 0.00 0.01 -0.27 -0.04 1.46 1.16 3ho4A1 LYS 654 HD2 -0.00 0.05 0.13 -0.04 1.69 1.83 3ho4A1 LYS 654 HD3 0.01 -0.02 0.00 -0.04 1.68 1.63 3ho4A1 LYS 654 HE2 0.02 -0.05 -0.01 -0.04 2.99 2.90 3ho4A1 LYS 654 HE3 0.01 0.17 -0.00 -0.04 2.99 3.12 3ho4A1 CYS 655 H -0.01 0.27 0.11 -0.55 8.50 8.32 3ho4A1 CYS 655 HA -0.02 0.23 0.91 -0.75 4.58 4.94 3ho4A1 CYS 655 HB2 0.00 0.13 0.04 -0.04 2.97 3.10 3ho4A1 CYS 655 HB3 -0.00 -0.05 -0.21 -0.04 2.97 2.66 3ho4A1 LEU 656 H 0.00 0.75 0.32 -0.55 8.37 8.89 3ho4A1 LEU 656 HA 0.02 0.12 0.88 -0.75 4.35 4.63 3ho4A1 LEU 656 HB2 0.02 -0.00 0.11 -0.04 1.64 1.72 3ho4A1 LEU 656 HB3 0.02 -0.06 0.25 -0.04 1.64 1.81 3ho4A1 LEU 656 HG 0.02 -0.01 0.02 -0.04 1.64 1.64 3ho4A1 LEU 656 HD13 0.02 -0.01 -0.01 -0.04 0.93 0.89 3ho4A1 LEU 656 HD23 0.03 0.01 -0.07 -0.04 0.89 0.81 3ho4A1 CYS 657 H 0.04 0.17 0.01 -0.55 8.50 8.18 3ho4A1 CYS 657 HA 0.05 0.07 0.52 -0.75 4.58 4.46 3ho4A1 CYS 657 HB2 0.10 -0.01 0.05 -0.04 2.97 3.07 3ho4A1 CYS 657 HB3 0.15 0.11 0.11 -0.04 2.97 3.30 3ho4A1 LYS 658 H 0.09 0.20 0.11 -0.55 8.42 8.28 3ho4A1 LYS 658 HA 0.09 0.03 0.60 -0.75 4.32 4.28 3ho4A1 LYS 658 HB2 0.23 0.07 0.07 -0.04 1.87 2.20 3ho4A1 LYS 658 HB3 0.14 -0.04 0.09 -0.04 1.79 1.94 3ho4A1 LYS 658 HG2 0.04 0.04 -0.02 -0.04 1.46 1.48 3ho4A1 LYS 658 HG3 0.04 0.02 0.05 -0.04 1.46 1.52 3ho4A1 LYS 658 HD2 0.05 -0.06 0.03 -0.04 1.69 1.67 3ho4A1 LYS 658 HD3 0.05 -0.04 0.02 -0.04 1.68 1.67 3ho4A1 LYS 658 HE2 0.02 -0.00 0.04 -0.04 2.99 3.00 3ho4A1 LYS 658 HE3 0.02 -0.08 0.01 -0.04 2.99 2.90 3ho4A1 LYS 659 H 0.08 0.07 0.14 -0.55 8.42 8.16 3ho4A1 LYS 659 HA 0.04 -0.00 0.37 -0.75 4.32 3.98 3ho4A1 LYS 659 HB2 0.04 0.01 0.17 -0.04 1.87 2.04 3ho4A1 LYS 659 HB3 0.04 0.00 0.08 -0.04 1.79 1.87 3ho4A1 LYS 659 HG2 -0.01 0.01 -0.04 -0.04 1.46 1.38 3ho4A1 LYS 659 HG3 0.01 0.00 0.05 -0.04 1.46 1.48 3ho4A1 LYS 659 HD2 0.01 0.00 0.02 -0.04 1.69 1.69 3ho4A1 LYS 659 HD3 0.01 -0.00 -0.02 -0.04 1.68 1.63 3ho4A1 LYS 659 HE2 -0.01 -0.00 -0.01 -0.04 2.99 2.92 3ho4A1 LYS 659 HE3 0.00 0.00 0.00 -0.04 2.99 2.95 3ho4A1 GLY 660 H -0.02 0.08 0.12 -0.55 8.43 8.06 3ho4A1 GLY 660 HA2 -0.21 -0.04 0.32 -0.51 4.01 3.56 3ho4A1 GLY 660 HA3 -0.20 0.16 0.68 -0.51 4.01 4.14 3ho4A1 TYR 661 H 0.13 0.44 -0.11 -0.55 8.29 8.20 3ho4A1 TYR 661 HA 0.07 0.35 1.16 -0.75 4.56 5.38 3ho4A1 TYR 661 HB2 0.07 -0.08 0.16 -0.04 3.06 3.17 3ho4A1 TYR 661 HB3 0.10 0.25 0.09 -0.04 2.98 3.38 3ho4A1 TYR 661 HD2 -0.05 0.15 -0.17 -0.04 7.15 7.03 3ho4A1 TYR 661 HE2 -0.29 -0.07 -0.06 -0.04 6.85 6.39 3ho4A1 LEU 662 H 0.08 0.19 -0.06 -0.55 8.37 8.03 3ho4A1 LEU 662 HA 0.08 0.14 0.67 -0.75 4.35 4.48 3ho4A1 LEU 662 HB2 0.06 -0.02 -0.05 -0.04 1.64 1.59 3ho4A1 LEU 662 HB3 0.05 -0.07 0.06 -0.04 1.64 1.64 3ho4A1 LEU 662 HG 0.01 0.03 -0.08 -0.04 1.64 1.56 3ho4A1 LEU 662 HD13 -0.06 0.01 -0.13 -0.04 0.93 0.70 3ho4A1 LEU 662 HD23 -0.01 -0.01 -0.02 -0.04 0.89 0.81 3ho4A1 GLY 663 H 0.08 0.13 0.08 -0.55 8.43 8.17 3ho4A1 GLY 663 HA2 0.13 0.10 0.38 -0.51 4.01 4.11 3ho4A1 GLY 663 HA3 0.20 0.03 0.63 -0.51 4.01 4.36 3ho4A1 PRO 664 HA 0.03 0.12 0.37 -0.51 4.44 4.44 3ho4A1 PRO 664 HB2 0.01 0.11 0.00 -0.04 2.28 2.36 3ho4A1 PRO 664 HB3 0.02 0.06 0.15 -0.04 2.02 2.22 3ho4A1 PRO 664 HG2 0.03 0.01 0.08 -0.04 2.03 2.11 3ho4A1 PRO 664 HG3 0.04 0.08 0.10 -0.04 2.03 2.20 3ho4A1 PRO 664 HD2 0.11 0.06 0.23 -0.04 3.68 4.04 3ho4A1 PRO 664 HD3 0.06 0.15 0.20 -0.04 3.65 4.02 3ho4A1 GLN 665 H 0.02 -0.05 -0.36 -0.55 8.47 7.53 3ho4A1 GLN 665 HA -0.01 0.25 0.79 -0.75 4.36 4.63 3ho4A1 GLN 665 HB2 -0.03 -0.13 0.01 -0.04 2.15 1.96 3ho4A1 GLN 665 HB3 -0.05 0.04 0.11 -0.04 2.02 2.08 3ho4A1 GLN 665 HG2 -0.04 -0.02 -0.14 -0.04 2.40 2.16 3ho4A1 GLN 665 HG3 -0.04 0.17 -0.17 -0.04 2.39 2.31 3ho4A1 GLN 665 HE21 -0.01 -0.03 -0.14 -0.04 6.97 6.74 3ho4A1 GLN 665 HE22 -0.02 0.12 -0.23 -0.04 7.69 7.52 3ho4A1 CYS 666 H 0.05 0.55 -0.31 -0.55 8.50 8.24 3ho4A1 CYS 666 HA 0.14 0.21 -0.01 -0.75 4.58 4.17 3ho4A1 CYS 666 HB2 0.02 0.06 0.16 -0.04 2.97 3.18 3ho4A1 CYS 666 HB3 0.11 0.02 0.09 -0.04 2.97 3.16 3ho4A1 GLU 667 H 0.01 -0.14 -0.30 -0.55 8.60 7.62 3ho4A1 GLU 667 HA 0.09 0.07 0.13 -0.75 4.29 3.83 3ho4A1 GLU 667 HB2 -0.17 0.00 0.00 -0.04 2.09 1.89 3ho4A1 GLU 667 HB3 -0.10 0.02 -0.04 -0.04 1.99 1.83 3ho4A1 GLU 667 HG2 -0.99 0.03 -0.07 -0.04 2.34 1.27 3ho4A1 GLU 667 HG3 -0.45 0.01 -0.05 -0.04 2.34 1.81 3ho4A1 HIS 668 H 0.09 0.27 -0.16 -0.55 8.41 8.07 3ho4A1 HIS 668 HA 0.11 0.11 0.61 -0.75 4.63 4.71 3ho4A1 HIS 668 HB2 0.05 0.00 -0.13 -0.04 3.26 3.15 3ho4A1 HIS 668 HB3 0.04 -0.07 0.02 -0.04 3.20 3.15 3ho4A1 HIS 668 HD2 0.05 0.02 -0.04 -0.04 6.97 6.95 3ho4A1 HIS 668 HE1 0.03 0.01 -0.03 -0.04 7.75 7.72 3ho4A1 HIS 669 H 0.19 0.05 0.09 -0.55 8.41 8.19 3ho4A1 HIS 669 HA -0.14 0.43 0.81 -0.75 4.63 4.96 3ho4A1 HIS 669 HB2 -0.16 0.11 -0.10 -0.04 3.26 3.06 3ho4A1 HIS 669 HB3 -0.06 -0.07 0.07 -0.04 3.20 3.10 3ho4A1 HIS 669 HD2 -0.09 -0.06 0.05 -0.04 6.97 6.82 3ho4A1 HIS 669 HE1 -0.32 -0.03 0.04 -0.04 7.75 7.40