============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. TYR 19 0.840 -11.100 -26.167 4.328 -99.200 -91.000 TYR 23 0.840 -5.969 -9.118 8.100 -99.200 -91.000 PHE 57 1.000 -12.421 -37.055 19.066 -99.200 -91.000 TYR 58 0.840 -8.709 -45.557 19.810 -99.200 -91.000 PHE 67 1.000 -17.132 -44.221 49.193 -99.200 -91.000 HIS 68 0.900 -12.011 -52.134 47.752 -99.200 -91.000 HIS 77 0.900 -38.213 -70.501 60.724 -99.200 -91.000 TYR 91 0.840 -12.823 -42.010 50.840 -99.200 -91.000 PHE 110 1.000 -38.666 -59.975 49.296 -99.200 -91.000 TYR 127 0.840 -32.170 -37.599 58.560 -99.200 -91.000 TYR 131 0.840 -38.504 -45.519 58.656 -99.200 -91.000 TYR 146 0.840 -29.369 -39.185 53.475 -99.200 -91.000 HIS 152 0.900 -8.210 -43.723 56.233 -99.200 -91.000 HIS 159 0.900 -27.165 -57.063 60.917 -99.200 -91.000 PHE 160 1.000 -31.916 -52.885 55.514 -99.200 -91.000 HIS 165 0.900 -46.351 -53.900 50.300 -99.200 -91.000 PHE 166 1.000 -45.297 -55.520 45.271 -99.200 -91.000 PHE 170 1.000 -36.582 -62.067 37.576 -99.200 -91.000 TYR 179 0.840 -24.590 -41.462 46.316 -99.200 -91.000 TYR 181 0.840 -20.803 -31.725 49.814 -99.200 -91.000 TYR 182 0.840 -16.066 -32.162 50.661 -99.200 -91.000 PHE 191 1.000 -27.249 -53.866 39.607 -99.200 -91.000 TYR 192 0.840 -30.332 -56.465 47.379 -99.200 -91.000 HIS 193 0.900 -32.786 -62.821 42.348 -99.200 -91.000 HIS 222 0.900 -42.807 -87.912 28.281 -99.200 -91.000 TYR 242 0.840 -33.279 -75.071 13.641 -99.200 -91.000 TYR 244 0.840 -31.438 -78.590 11.845 -99.200 -91.000 TYR 260 0.840 -27.523 -78.519 27.305 -99.200 -91.000 HIS 281 0.900 -25.880 -77.281 13.608 -99.200 -91.000 TYR 283 0.840 -29.460 -76.331 19.243 -99.200 -91.000 TYR 301 0.840 -32.152 -84.932 23.526 -99.200 -91.000 TRP 304 1.040 -40.233 -76.574 16.569 -99.200 -91.000 TRP6 304 1.020 -41.737 -78.393 16.742 -99.200 -91.000 TYR 319 0.840 -29.404 -72.167 15.635 -99.200 -91.000 TRP 326 1.040 -40.972 -79.447 20.241 -99.200 -91.000 TRP6 326 1.020 -43.181 -79.027 20.959 -99.200 -91.000 TRP 330 1.040 -36.647 -89.729 16.812 -99.200 -91.000 TRP6 330 1.020 -37.136 -88.137 15.130 -99.200 -91.000 HIS 332 0.900 -30.931 -93.736 22.159 -99.200 -91.000 PHE 341 1.000 -39.145 -95.255 25.251 -99.200 -91.000 PHE 348 1.000 -40.483 -88.403 18.261 -99.200 -91.000 PHE 351 1.000 -42.655 -83.675 13.184 -99.200 -91.000 TYR 353 0.840 -43.999 -90.805 4.011 -99.200 -91.000 PHE 358 1.000 -47.144 -86.586 1.272 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3hrzC1 ASP 1250 HA 0.01 0.01 0.16 -0.75 4.63 4.06 3hrzC1 ASP 1250 HB2 0.04 -0.27 0.21 -0.04 2.71 2.64 3hrzC1 ASP 1250 HB3 0.01 0.03 0.04 -0.04 2.70 2.75 3hrzC1 LEU 1251 H 0.07 0.07 0.12 -0.55 8.37 8.08 3hrzC1 LEU 1251 HA 0.04 0.12 0.69 -0.75 4.35 4.45 3hrzC1 LEU 1251 HB2 0.05 0.08 0.07 -0.04 1.64 1.80 3hrzC1 LEU 1251 HB3 0.09 -0.11 0.10 -0.04 1.64 1.68 3hrzC1 LEU 1251 HG 0.04 -0.14 -0.43 -0.04 1.64 1.07 3hrzC1 LEU 1251 HD13 0.03 -0.04 -0.09 -0.04 0.93 0.78 3hrzC1 LEU 1251 HD23 0.01 0.03 -0.15 -0.04 0.89 0.74 3hrzC1 ASN 1252 H 0.03 -0.04 -0.00 -0.55 8.53 7.97 3hrzC1 ASN 1252 HA 0.03 0.21 0.75 -0.75 4.76 5.00 3hrzC1 ASN 1252 HB2 0.02 0.07 -0.25 -0.04 2.88 2.69 3hrzC1 ASN 1252 HB3 0.02 -0.07 0.21 -0.04 2.79 2.90 3hrzC1 ASN 1252 HD21 0.02 -0.00 -0.02 -0.04 7.03 6.98 3hrzC1 ASN 1252 HD22 0.02 -0.00 -0.01 -0.04 7.74 7.70 3hrzC1 LEU 1253 H 0.03 0.70 0.27 -0.55 8.37 8.83 3hrzC1 LEU 1253 HA 0.03 0.30 1.01 -0.75 4.35 4.94 3hrzC1 LEU 1253 HB2 0.03 0.01 0.08 -0.04 1.64 1.72 3hrzC1 LEU 1253 HB3 0.04 0.04 -0.22 -0.04 1.64 1.46 3hrzC1 LEU 1253 HG 0.02 -0.18 -0.34 -0.04 1.64 1.10 3hrzC1 LEU 1253 HD13 0.03 0.01 -0.36 -0.04 0.93 0.56 3hrzC1 LEU 1253 HD23 0.02 0.07 -0.34 -0.04 0.89 0.60 3hrzC1 ASP 1254 H 0.02 0.73 0.37 -0.55 8.40 8.98 3hrzC1 ASP 1254 HA 0.04 0.30 1.14 -0.75 4.63 5.35 3hrzC1 ASP 1254 HB2 0.02 -0.05 0.20 -0.04 2.71 2.84 3hrzC1 ASP 1254 HB3 0.01 0.03 -0.00 -0.04 2.70 2.70 3hrzC1 ILE 1255 H 0.06 0.73 0.33 -0.55 8.25 8.82 3hrzC1 ILE 1255 HA 0.03 0.40 1.15 -0.75 4.18 5.01 3hrzC1 ILE 1255 HB 0.16 -0.13 0.10 -0.04 1.89 1.98 3hrzC1 ILE 1255 HG12 0.11 0.01 -0.26 -0.04 1.49 1.32 3hrzC1 ILE 1255 HG13 0.16 0.00 -0.15 -0.04 1.21 1.18 3hrzC1 ILE 1255 HG23 0.07 0.00 -0.17 -0.04 0.93 0.79 3hrzC1 ILE 1255 HD13 0.05 0.03 -0.25 -0.04 0.88 0.67 3hrzC1 THR 1256 H -0.02 0.67 0.38 -0.55 8.28 8.77 3hrzC1 THR 1256 HA -0.10 0.40 1.14 -0.75 4.39 5.07 3hrzC1 THR 1256 HB -0.03 -0.09 0.11 -0.04 4.32 4.27 3hrzC1 THR 1256 HG23 -0.04 0.00 -0.18 -0.04 1.22 0.96 3hrzC1 ILE 1257 H -0.12 0.71 0.30 -0.55 8.25 8.58 3hrzC1 ILE 1257 HA -0.03 0.25 1.10 -0.75 4.18 4.75 3hrzC1 ILE 1257 HB -0.09 -0.09 0.15 -0.04 1.89 1.82 3hrzC1 ILE 1257 HG12 -0.17 0.00 -0.22 -0.04 1.49 1.06 3hrzC1 ILE 1257 HG13 -0.12 -0.01 -0.11 -0.04 1.21 0.93 3hrzC1 ILE 1257 HG23 -0.01 -0.01 -0.19 -0.04 0.93 0.68 3hrzC1 ILE 1257 HD13 0.03 0.02 -0.18 -0.04 0.88 0.71 3hrzC1 GLU 1258 H -0.02 0.87 0.30 -0.55 8.60 9.20 3hrzC1 GLU 1258 HA -0.03 0.16 1.01 -0.75 4.29 4.67 3hrzC1 GLU 1258 HB2 -0.01 -0.08 0.18 -0.04 2.09 2.14 3hrzC1 GLU 1258 HB3 -0.01 0.07 -0.00 -0.04 1.99 2.00 3hrzC1 GLU 1258 HG2 -0.02 0.06 -0.06 -0.04 2.34 2.28 3hrzC1 GLU 1258 HG3 -0.02 -0.04 -0.20 -0.04 2.34 2.04 3hrzC1 LEU 1259 H -0.02 0.27 0.09 -0.55 8.37 8.16 3hrzC1 LEU 1259 HA -0.01 0.25 0.91 -0.75 4.35 4.75 3hrzC1 LEU 1259 HB2 -0.00 0.01 -0.02 -0.04 1.64 1.58 3hrzC1 LEU 1259 HB3 0.00 -0.06 0.04 -0.04 1.64 1.58 3hrzC1 LEU 1259 HG -0.01 -0.03 -0.27 -0.04 1.64 1.28 3hrzC1 LEU 1259 HD13 0.00 0.00 -0.12 -0.04 0.93 0.78 3hrzC1 LEU 1259 HD23 0.00 0.02 -0.13 -0.04 0.89 0.74 3hrzC1 PRO 1260 HA -0.00 0.13 0.43 -0.51 4.44 4.49 3hrzC1 PRO 1260 HB2 -0.00 -0.01 -0.03 -0.04 2.28 2.20 3hrzC1 PRO 1260 HB3 -0.00 0.03 0.08 -0.04 2.02 2.08 3hrzC1 PRO 1260 HG2 -0.00 -0.07 0.06 -0.04 2.03 1.97 3hrzC1 PRO 1260 HG3 -0.00 0.07 0.06 -0.04 2.03 2.11 3hrzC1 PRO 1260 HD2 -0.00 -0.02 0.16 -0.04 3.68 3.78 3hrzC1 PRO 1260 HD3 -0.00 0.36 0.30 -0.04 3.65 4.27 3hrzC1 ASP 1261 H 0.00 0.07 -0.25 -0.55 8.40 7.67 3hrzC1 ASP 1261 HA 0.00 0.12 0.36 -0.75 4.63 4.36 3hrzC1 ASP 1261 HB2 0.00 0.02 0.14 -0.04 2.71 2.83 3hrzC1 ASP 1261 HB3 0.00 -0.05 0.05 -0.04 2.70 2.66 3hrzC1 ARG 1262 H -0.00 0.38 -0.72 -0.55 8.46 7.56 3hrzC1 ARG 1262 HA -0.00 0.02 0.51 -0.75 4.34 4.11 3hrzC1 ARG 1262 HB2 -0.00 -0.06 0.04 -0.04 1.90 1.84 3hrzC1 ARG 1262 HB3 -0.00 0.11 -0.29 -0.04 1.80 1.57 3hrzC1 ARG 1262 HG2 -0.01 -0.09 -0.13 -0.04 1.67 1.40 3hrzC1 ARG 1262 HG3 -0.01 0.16 -0.28 -0.04 1.67 1.50 3hrzC1 ARG 1262 HD2 -0.01 0.04 -0.06 -0.04 3.22 3.16 3hrzC1 ARG 1262 HD3 -0.00 0.00 -0.05 -0.04 3.22 3.12 3hrzC1 GLU 1263 H -0.00 0.10 0.11 -0.55 8.60 8.26 3hrzC1 GLU 1263 HA -0.01 0.11 0.37 -0.75 4.29 4.01 3hrzC1 GLU 1263 HB2 -0.00 -0.05 0.14 -0.04 2.09 2.14 3hrzC1 GLU 1263 HB3 -0.01 0.02 0.00 -0.04 1.99 1.97 3hrzC1 GLU 1263 HG2 -0.00 0.04 0.02 -0.04 2.34 2.35 3hrzC1 GLU 1263 HG3 -0.00 -0.01 0.06 -0.04 2.34 2.34 3hrzC1 VAL 1264 H -0.01 0.00 -0.08 -0.55 8.24 7.61 3hrzC1 VAL 1264 HA -0.01 0.15 0.62 -0.75 4.13 4.13 3hrzC1 VAL 1264 HB -0.01 -0.07 0.13 -0.04 2.12 2.13 3hrzC1 VAL 1264 HG13 -0.02 0.02 -0.10 -0.04 0.97 0.83 3hrzC1 VAL 1264 HG23 -0.01 -0.02 0.01 -0.04 0.95 0.89 3hrzC1 PRO 1265 HA -0.04 0.10 0.57 -0.51 4.44 4.57 3hrzC1 PRO 1265 HB2 -0.05 0.01 -0.12 -0.04 2.28 2.07 3hrzC1 PRO 1265 HB3 -0.03 -0.01 0.03 -0.04 2.02 1.97 3hrzC1 PRO 1265 HG2 -0.03 -0.03 0.02 -0.04 2.03 1.95 3hrzC1 PRO 1265 HG3 -0.02 0.00 0.04 -0.04 2.03 2.01 3hrzC1 PRO 1265 HD2 -0.02 -0.00 0.32 -0.04 3.68 3.94 3hrzC1 PRO 1265 HD3 -0.02 0.29 0.28 -0.04 3.65 4.15 3hrzC1 ILE 1266 H -0.09 0.49 0.36 -0.55 8.25 8.46 3hrzC1 ILE 1266 HA -0.11 0.14 0.81 -0.75 4.18 4.26 3hrzC1 ILE 1266 HB -0.19 -0.06 0.16 -0.04 1.89 1.76 3hrzC1 ILE 1266 HG12 -0.05 0.01 0.01 -0.04 1.49 1.42 3hrzC1 ILE 1266 HG13 -0.06 0.07 -0.06 -0.04 1.21 1.12 3hrzC1 ILE 1266 HG23 -0.40 -0.00 -0.17 -0.04 0.93 0.32 3hrzC1 ILE 1266 HD13 -0.03 -0.01 -0.01 -0.04 0.88 0.79 3hrzC1 ARG 1267 H -0.16 0.21 0.17 -0.55 8.46 8.13 3hrzC1 ARG 1267 HA -0.21 0.45 1.18 -0.75 4.34 5.01 3hrzC1 ARG 1267 HB2 -0.05 -0.04 0.07 -0.04 1.90 1.84 3hrzC1 ARG 1267 HB3 -0.04 0.01 -0.03 -0.04 1.80 1.69 3hrzC1 ARG 1267 HG2 -0.06 0.05 -0.12 -0.04 1.67 1.50 3hrzC1 ARG 1267 HG3 -0.07 -0.03 -0.53 -0.04 1.67 1.00 3hrzC1 ARG 1267 HD2 -0.03 -0.02 -0.07 -0.04 3.22 3.06 3hrzC1 ARG 1267 HD3 -0.02 -0.02 -0.09 -0.04 3.22 3.04 3hrzC1 TYR 1268 H -0.10 0.51 0.32 -0.55 8.29 8.47 3hrzC1 TYR 1268 HA 0.00 0.19 1.00 -0.75 4.56 5.00 3hrzC1 TYR 1268 HB2 0.00 -0.07 -0.03 -0.04 3.06 2.93 3hrzC1 TYR 1268 HB3 0.00 0.08 -0.07 -0.04 2.98 2.95 3hrzC1 TYR 1268 HD2 0.00 0.03 -0.09 -0.04 7.15 7.05 3hrzC1 TYR 1268 HE2 0.01 0.02 -0.14 -0.04 6.85 6.69 3hrzC1 ARG 1269 H 0.12 0.18 0.16 -0.55 8.46 8.37 3hrzC1 ARG 1269 HA 0.07 0.46 1.10 -0.75 4.34 5.21 3hrzC1 ARG 1269 HB2 0.04 0.01 0.05 -0.04 1.90 1.96 3hrzC1 ARG 1269 HB3 0.05 -0.04 0.09 -0.04 1.80 1.85 3hrzC1 ARG 1269 HG2 0.04 -0.10 -0.35 -0.04 1.67 1.21 3hrzC1 ARG 1269 HG3 0.04 0.12 -0.04 -0.04 1.67 1.75 3hrzC1 ARG 1269 HD2 0.03 -0.02 -0.07 -0.04 3.22 3.12 3hrzC1 ARG 1269 HD3 0.03 -0.03 -0.10 -0.04 3.22 3.08 3hrzC1 ILE 1270 H 0.05 0.65 0.24 -0.55 8.25 8.64 3hrzC1 ILE 1270 HA 0.01 0.19 0.91 -0.75 4.18 4.54 3hrzC1 ILE 1270 HB 0.03 -0.10 0.07 -0.04 1.89 1.85 3hrzC1 ILE 1270 HG12 -0.03 0.12 -0.16 -0.04 1.49 1.38 3hrzC1 ILE 1270 HG13 0.06 -0.06 -0.38 -0.04 1.21 0.79 3hrzC1 ILE 1270 HG23 -0.01 0.02 -0.16 -0.04 0.93 0.75 3hrzC1 ILE 1270 HD13 0.01 0.01 -0.12 -0.04 0.88 0.74 3hrzC1 ASN 1271 H 0.01 0.15 0.07 -0.55 8.53 8.21 3hrzC1 ASN 1271 HA 0.05 0.42 0.70 -0.75 4.76 5.17 3hrzC1 ASN 1271 HB2 0.08 -0.09 0.26 -0.04 2.88 3.08 3hrzC1 ASN 1271 HB3 0.04 0.10 0.04 -0.04 2.79 2.93 3hrzC1 ASN 1271 HD21 0.03 0.05 -0.06 -0.04 7.03 7.02 3hrzC1 ASN 1271 HD22 0.04 0.05 -0.10 -0.04 7.74 7.69 3hrzC1 TYR 1272 H 0.17 0.28 0.25 -0.55 8.29 8.44 3hrzC1 TYR 1272 HA -0.00 0.09 0.44 -0.75 4.56 4.33 3hrzC1 TYR 1272 HB2 0.00 0.00 0.19 -0.04 3.06 3.22 3hrzC1 TYR 1272 HB3 0.00 -0.01 0.20 -0.04 2.98 3.13 3hrzC1 TYR 1272 HD2 0.00 -0.02 -0.07 -0.04 7.15 7.02 3hrzC1 TYR 1272 HE2 -0.00 0.01 -0.02 -0.04 6.85 6.80 3hrzC1 GLU 1273 H 0.14 0.05 -0.18 -0.55 8.60 8.06 3hrzC1 GLU 1273 HA -0.04 0.12 0.33 -0.75 4.29 3.94 3hrzC1 GLU 1273 HB2 0.06 -0.04 0.07 -0.04 2.09 2.14 3hrzC1 GLU 1273 HB3 0.04 0.06 0.01 -0.04 1.99 2.05 3hrzC1 GLU 1273 HG2 0.09 0.04 0.03 -0.04 2.34 2.45 3hrzC1 GLU 1273 HG3 0.17 0.04 0.03 -0.04 2.34 2.55 3hrzC1 ASN 1274 H -0.02 0.11 -0.20 -0.55 8.53 7.87 3hrzC1 ASN 1274 HA -0.06 0.24 1.01 -0.75 4.76 5.20 3hrzC1 ASN 1274 HB2 -0.04 0.04 0.20 -0.04 2.88 3.04 3hrzC1 ASN 1274 HB3 -0.02 -0.01 -0.03 -0.04 2.79 2.69 3hrzC1 ASN 1274 HD21 0.01 0.36 0.14 -0.04 7.03 7.50 3hrzC1 ASN 1274 HD22 -0.00 -0.03 0.05 -0.04 7.74 7.73 3hrzC1 ALA 1275 H -0.11 0.32 -0.20 -0.55 8.40 7.86 3hrzC1 ALA 1275 HA -0.05 0.03 0.25 -0.75 4.34 3.81 3hrzC1 ALA 1275 HB3 -0.09 0.03 0.04 -0.04 1.41 1.35 3hrzC1 LEU 1276 H -0.10 0.08 -0.22 -0.55 8.37 7.58 3hrzC1 LEU 1276 HA -0.06 0.07 0.41 -0.75 4.35 4.02 3hrzC1 LEU 1276 HB2 -0.07 -0.00 0.02 -0.04 1.64 1.54 3hrzC1 LEU 1276 HB3 -0.05 -0.00 -0.02 -0.04 1.64 1.52 3hrzC1 LEU 1276 HG -0.10 -0.01 0.01 -0.04 1.64 1.49 3hrzC1 LEU 1276 HD13 -0.06 -0.00 0.00 -0.04 0.93 0.84 3hrzC1 LEU 1276 HD23 -0.05 0.01 -0.01 -0.04 0.89 0.80 3hrzC1 LEU 1277 H -0.06 0.28 -0.37 -0.55 8.37 7.67 3hrzC1 LEU 1277 HA -0.05 -0.01 0.46 -0.75 4.35 3.99 3hrzC1 LEU 1277 HB2 -0.05 -0.09 0.08 -0.04 1.64 1.53 3hrzC1 LEU 1277 HB3 -0.07 0.14 0.17 -0.04 1.64 1.84 3hrzC1 LEU 1277 HG -0.08 0.13 -0.30 -0.04 1.64 1.36 3hrzC1 LEU 1277 HD13 -0.04 -0.03 0.03 -0.04 0.93 0.86 3hrzC1 LEU 1277 HD23 -0.05 -0.02 0.00 -0.04 0.89 0.77 3hrzC1 ALA 1278 H -0.05 0.10 0.24 -0.55 8.40 8.14 3hrzC1 ALA 1278 HA -0.07 0.09 0.65 -0.75 4.34 4.26 3hrzC1 ALA 1278 HB3 -0.03 0.00 0.08 -0.04 1.41 1.42 3hrzC1 ARG 1279 H -0.14 0.19 0.17 -0.55 8.46 8.12 3hrzC1 ARG 1279 HA -0.15 0.15 0.88 -0.75 4.34 4.47 3hrzC1 ARG 1279 HB2 -0.69 -0.04 -0.01 -0.04 1.90 1.12 3hrzC1 ARG 1279 HB3 -0.70 0.01 -0.00 -0.04 1.80 1.07 3hrzC1 ARG 1279 HG2 -0.31 0.06 -0.00 -0.04 1.67 1.37 3hrzC1 ARG 1279 HG3 -0.82 -0.05 -0.05 -0.04 1.67 0.70 3hrzC1 ARG 1279 HD2 -0.20 0.05 -0.45 -0.04 3.22 2.58 3hrzC1 ARG 1279 HD3 -0.21 0.09 -0.11 -0.04 3.22 2.95 3hrzC1 THR 1280 H -0.01 0.21 0.13 -0.55 8.28 8.06 3hrzC1 THR 1280 HA 0.05 0.22 1.07 -0.75 4.39 4.97 3hrzC1 THR 1280 HB 0.03 -0.02 0.01 -0.04 4.32 4.30 3hrzC1 THR 1280 HG23 0.05 -0.00 -0.10 -0.04 1.22 1.13 3hrzC1 VAL 1281 H 0.08 0.28 0.20 -0.55 8.24 8.25 3hrzC1 VAL 1281 HA 0.08 0.16 0.76 -0.75 4.13 4.37 3hrzC1 VAL 1281 HB 0.08 -0.01 0.01 -0.04 2.12 2.16 3hrzC1 VAL 1281 HG13 0.03 -0.00 -0.15 -0.04 0.97 0.81 3hrzC1 VAL 1281 HG23 0.14 0.00 -0.17 -0.04 0.95 0.88 3hrzC1 GLU 1282 H 0.04 0.24 0.14 -0.55 8.60 8.47 3hrzC1 GLU 1282 HA 0.05 0.20 0.97 -0.75 4.29 4.76 3hrzC1 GLU 1282 HB2 0.03 -0.02 0.02 -0.04 2.09 2.09 3hrzC1 GLU 1282 HB3 0.04 0.05 -0.01 -0.04 1.99 2.03 3hrzC1 GLU 1282 HG2 0.05 0.06 -0.10 -0.04 2.34 2.31 3hrzC1 GLU 1282 HG3 0.05 -0.12 -0.61 -0.04 2.34 1.62 3hrzC1 THR 1283 H 0.05 0.33 0.21 -0.55 8.28 8.32 3hrzC1 THR 1283 HA 0.02 0.15 0.75 -0.75 4.39 4.56 3hrzC1 THR 1283 HB 0.02 0.06 -0.09 -0.04 4.32 4.27 3hrzC1 THR 1283 HG23 0.02 0.06 0.00 -0.04 1.22 1.26 3hrzC1 LYS 1284 H 0.02 0.16 0.12 -0.55 8.42 8.17 3hrzC1 LYS 1284 HA 0.04 0.19 0.68 -0.75 4.32 4.48 3hrzC1 LYS 1284 HB2 0.02 -0.02 0.09 -0.04 1.87 1.92 3hrzC1 LYS 1284 HB3 0.02 0.03 0.18 -0.04 1.79 1.98 3hrzC1 LYS 1284 HG2 0.03 0.04 -0.02 -0.04 1.46 1.46 3hrzC1 LYS 1284 HG3 0.02 -0.03 -0.03 -0.04 1.46 1.38 3hrzC1 LYS 1284 HD2 0.01 -0.00 0.02 -0.04 1.69 1.68 3hrzC1 LYS 1284 HD3 0.02 0.01 0.03 -0.04 1.68 1.70 3hrzC1 LYS 1284 HE2 0.01 -0.00 -0.02 -0.04 2.99 2.94 3hrzC1 LYS 1284 HE3 0.01 0.00 -0.00 -0.04 2.99 2.96 3hrzC1 LEU 1285 H 0.02 -0.03 -0.40 -0.55 8.37 7.42 3hrzC1 LEU 1285 HA 0.01 0.25 0.91 -0.75 4.35 4.77 3hrzC1 LEU 1285 HB2 0.01 -0.05 -0.05 -0.04 1.64 1.52 3hrzC1 LEU 1285 HB3 0.00 0.01 -0.03 -0.04 1.64 1.59 3hrzC1 LEU 1285 HG 0.01 -0.13 -0.21 -0.04 1.64 1.27 3hrzC1 LEU 1285 HD13 0.01 0.00 -0.05 -0.04 0.93 0.85 3hrzC1 LEU 1285 HD23 0.01 0.05 -0.05 -0.04 0.89 0.85 3hrzC1 ASN 1286 H 0.00 0.20 0.01 -0.55 8.53 8.20 3hrzC1 ASN 1286 HA -0.01 0.20 0.73 -0.75 4.76 4.93 3hrzC1 ASN 1286 HB2 -0.02 0.06 0.01 -0.04 2.88 2.89 3hrzC1 ASN 1286 HB3 -0.02 -0.03 0.19 -0.04 2.79 2.89 3hrzC1 ASN 1286 HD21 -0.07 -0.01 -0.03 -0.04 7.03 6.87 3hrzC1 ASN 1286 HD22 -0.06 -0.02 0.02 -0.04 7.74 7.65 3hrzC1 GLN 1287 H -0.00 0.27 -0.08 -0.55 8.47 8.11 3hrzC1 GLN 1287 HA -0.01 0.19 0.82 -0.75 4.36 4.60 3hrzC1 GLN 1287 HB2 -0.00 0.02 -0.05 -0.04 2.15 2.07 3hrzC1 GLN 1287 HB3 -0.01 -0.03 0.14 -0.04 2.02 2.09 3hrzC1 GLN 1287 HG2 -0.01 0.08 -0.06 -0.04 2.40 2.38 3hrzC1 GLN 1287 HG3 -0.00 -0.19 -0.55 -0.04 2.39 1.61 3hrzC1 GLN 1287 HE21 -0.00 0.02 -0.08 -0.04 6.97 6.87 3hrzC1 GLN 1287 HE22 -0.00 0.04 -0.05 -0.04 7.69 7.64 3hrzC1 ASP 1288 H -0.01 0.09 0.12 -0.55 8.40 8.06 3hrzC1 ASP 1288 HA -0.01 0.06 0.50 -0.75 4.63 4.43 3hrzC1 ASP 1288 HB2 -0.01 -0.02 0.10 -0.04 2.71 2.74 3hrzC1 ASP 1288 HB3 -0.01 0.06 -0.04 -0.04 2.70 2.67 3hrzC1 ILE 1289 H -0.01 0.20 0.20 -0.55 8.25 8.09 3hrzC1 ILE 1289 HA -0.00 0.24 0.91 -0.75 4.18 4.58 3hrzC1 ILE 1289 HB -0.00 -0.04 0.12 -0.04 1.89 1.92 3hrzC1 ILE 1289 HG12 0.00 -0.00 -0.12 -0.04 1.49 1.33 3hrzC1 ILE 1289 HG13 -0.00 0.11 -0.21 -0.04 1.21 1.07 3hrzC1 ILE 1289 HG23 0.00 -0.01 -0.19 -0.04 0.93 0.69 3hrzC1 ILE 1289 HD13 0.01 -0.01 -0.04 -0.04 0.88 0.79 3hrzC1 THR 1290 H -0.01 0.61 0.23 -0.55 8.28 8.56 3hrzC1 THR 1290 HA -0.00 0.18 1.09 -0.75 4.39 4.90 3hrzC1 THR 1290 HB -0.01 -0.00 0.16 -0.04 4.32 4.42 3hrzC1 THR 1290 HG23 -0.01 -0.00 -0.17 -0.04 1.22 1.00 3hrzC1 VAL 1291 H -0.00 0.23 0.18 -0.55 8.24 8.10 3hrzC1 VAL 1291 HA -0.01 0.39 1.17 -0.75 4.13 4.93 3hrzC1 VAL 1291 HB 0.01 -0.03 0.06 -0.04 2.12 2.12 3hrzC1 VAL 1291 HG13 0.02 -0.00 -0.18 -0.04 0.97 0.76 3hrzC1 VAL 1291 HG23 0.01 -0.01 -0.21 -0.04 0.95 0.70 3hrzC1 THR 1292 H -0.01 0.69 0.41 -0.55 8.28 8.82 3hrzC1 THR 1292 HA 0.00 0.18 1.02 -0.75 4.39 4.84 3hrzC1 THR 1292 HB -0.01 -0.06 0.10 -0.04 4.32 4.31 3hrzC1 THR 1292 HG23 -0.00 0.00 -0.11 -0.04 1.22 1.08 3hrzC1 ALA 1293 H 0.01 0.24 0.17 -0.55 8.40 8.28 3hrzC1 ALA 1293 HA 0.02 0.48 1.03 -0.75 4.34 5.12 3hrzC1 ALA 1293 HB3 0.02 -0.01 -0.05 -0.04 1.41 1.33 3hrzC1 SER 1294 H 0.02 0.55 0.33 -0.55 8.46 8.82 3hrzC1 SER 1294 HA 0.01 0.19 0.94 -0.75 4.49 4.88 3hrzC1 SER 1294 HB2 0.01 -0.05 0.08 -0.04 3.95 3.96 3hrzC1 SER 1294 HB3 0.01 0.01 0.08 -0.04 3.93 3.98 3hrzC1 GLY 1295 H 0.01 0.22 0.20 -0.55 8.43 8.31 3hrzC1 GLY 1295 HA2 0.01 -0.01 0.32 -0.51 4.01 3.82 3hrzC1 GLY 1295 HA3 0.02 0.31 1.11 -0.51 4.01 4.93 3hrzC1 ASP 1296 H 0.02 0.42 0.29 -0.55 8.40 8.58 3hrzC1 ASP 1296 HA 0.01 0.15 0.52 -0.75 4.63 4.56 3hrzC1 ASP 1296 HB2 0.02 -0.20 0.09 -0.04 2.71 2.57 3hrzC1 ASP 1296 HB3 0.02 0.19 -0.01 -0.04 2.70 2.85 3hrzC1 GLY 1297 H 0.02 -0.16 -0.07 -0.55 8.43 7.68 3hrzC1 GLY 1297 HA2 0.02 0.16 0.30 -0.51 4.01 3.99 3hrzC1 GLY 1297 HA3 0.02 -0.07 0.32 -0.51 4.01 3.77 3hrzC1 LYS 1298 H 0.02 0.19 0.17 -0.55 8.42 8.24 3hrzC1 LYS 1298 HA 0.01 0.19 0.72 -0.75 4.32 4.48 3hrzC1 LYS 1298 HB2 0.01 -0.05 0.01 -0.04 1.87 1.81 3hrzC1 LYS 1298 HB3 0.01 0.03 0.01 -0.04 1.79 1.79 3hrzC1 LYS 1298 HG2 0.01 0.17 -0.09 -0.04 1.46 1.50 3hrzC1 LYS 1298 HG3 0.01 -0.02 -0.15 -0.04 1.46 1.26 3hrzC1 LYS 1298 HD2 0.01 0.00 -0.02 -0.04 1.69 1.64 3hrzC1 LYS 1298 HD3 0.01 0.02 -0.03 -0.04 1.68 1.64 3hrzC1 LYS 1298 HE2 0.01 -0.01 -0.04 -0.04 2.99 2.91 3hrzC1 LYS 1298 HE3 0.01 -0.02 -0.05 -0.04 2.99 2.89 3hrzC1 ALA 1299 H 0.01 0.31 0.13 -0.55 8.40 8.30 3hrzC1 ALA 1299 HA 0.00 0.14 0.51 -0.75 4.34 4.24 3hrzC1 ALA 1299 HB3 0.01 0.03 -0.12 -0.04 1.41 1.29 3hrzC1 THR 1300 H 0.00 0.23 0.11 -0.55 8.28 8.07 3hrzC1 THR 1300 HA 0.01 0.17 0.89 -0.75 4.39 4.70 3hrzC1 THR 1300 HB 0.00 -0.00 0.09 -0.04 4.32 4.37 3hrzC1 THR 1300 HG23 0.00 -0.00 -0.20 -0.04 1.22 0.98 3hrzC1 MET 1301 H 0.01 0.21 0.08 -0.55 8.47 8.22 3hrzC1 MET 1301 HA 0.02 0.19 0.92 -0.75 4.52 4.89 3hrzC1 MET 1301 HB2 0.03 0.01 -0.08 -0.04 2.15 2.07 3hrzC1 MET 1301 HB3 0.02 -0.01 0.07 -0.04 2.03 2.06 3hrzC1 MET 1301 HG2 0.02 -0.03 -0.44 -0.04 2.63 2.13 3hrzC1 MET 1301 HG3 0.03 0.05 -0.08 -0.04 2.56 2.52 3hrzC1 MET 1301 HE3 0.05 0.00 -0.11 -0.04 2.10 2.00 3hrzC1 THR 1302 H 0.02 0.25 0.09 -0.55 8.28 8.08 3hrzC1 THR 1302 HA 0.00 0.17 0.93 -0.75 4.39 4.74 3hrzC1 THR 1302 HB 0.01 0.00 0.08 -0.04 4.32 4.37 3hrzC1 THR 1302 HG23 -0.01 0.00 -0.16 -0.04 1.22 1.01 3hrzC1 ILE 1303 H -0.01 0.21 0.06 -0.55 8.25 7.96 3hrzC1 ILE 1303 HA 0.00 0.20 1.00 -0.75 4.18 4.63 3hrzC1 ILE 1303 HB -0.02 -0.01 0.11 -0.04 1.89 1.93 3hrzC1 ILE 1303 HG12 0.00 0.02 -0.06 -0.04 1.49 1.41 3hrzC1 ILE 1303 HG13 0.01 0.04 -0.23 -0.04 1.21 1.00 3hrzC1 ILE 1303 HG23 -0.01 0.01 -0.15 -0.04 0.93 0.74 3hrzC1 ILE 1303 HD13 0.00 -0.02 -0.12 -0.04 0.88 0.71 3hrzC1 LEU 1304 H -0.01 0.25 0.08 -0.55 8.37 8.14 3hrzC1 LEU 1304 HA -0.17 0.15 0.83 -0.75 4.35 4.40 3hrzC1 LEU 1304 HB2 0.01 0.01 0.14 -0.04 1.64 1.75 3hrzC1 LEU 1304 HB3 -0.51 0.02 -0.06 -0.04 1.64 1.05 3hrzC1 LEU 1304 HG -0.00 -0.00 -0.20 -0.04 1.64 1.40 3hrzC1 LEU 1304 HD13 0.13 0.00 -0.04 -0.04 0.93 0.98 3hrzC1 LEU 1304 HD23 -0.08 0.03 -0.14 -0.04 0.89 0.65 3hrzC1 THR 1305 H -0.18 0.22 0.08 -0.55 8.28 7.85 3hrzC1 THR 1305 HA -0.03 0.21 1.04 -0.75 4.39 4.86 3hrzC1 THR 1305 HB -0.06 -0.02 0.11 -0.04 4.32 4.30 3hrzC1 THR 1305 HG23 -0.01 0.01 -0.15 -0.04 1.22 1.04 3hrzC1 PHE 1306 H 0.20 0.22 0.10 -0.55 8.34 8.30 3hrzC1 PHE 1306 HA 0.11 0.14 0.81 -0.75 4.62 4.92 3hrzC1 PHE 1306 HB2 0.05 0.01 0.08 -0.04 3.15 3.25 3hrzC1 PHE 1306 HB3 0.03 0.02 -0.02 -0.04 3.06 3.05 3hrzC1 PHE 1306 HD2 0.02 0.04 -0.02 -0.04 7.28 7.28 3hrzC1 PHE 1306 HE2 0.01 0.01 -0.05 -0.04 7.38 7.32 3hrzC1 PHE 1306 HZ 0.01 -0.00 -0.05 -0.04 7.32 7.23 3hrzC1 TYR 1307 H 0.13 0.33 0.21 -0.55 8.29 8.41 3hrzC1 TYR 1307 HA 0.07 0.09 0.45 -0.75 4.56 4.42 3hrzC1 TYR 1307 HB2 0.03 -0.01 0.07 -0.04 3.06 3.12 3hrzC1 TYR 1307 HB3 0.04 0.11 -0.30 -0.04 2.98 2.79 3hrzC1 TYR 1307 HD2 0.01 0.08 -0.24 -0.04 7.15 6.96 3hrzC1 TYR 1307 HE2 -0.00 -0.00 -0.08 -0.04 6.85 6.72 3hrzC1 ASN 1308 H 0.11 0.16 0.12 -0.55 8.53 8.37 3hrzC1 ASN 1308 HA -0.16 0.16 0.99 -0.75 4.76 4.99 3hrzC1 ASN 1308 HB2 0.03 -0.03 0.13 -0.04 2.88 2.97 3hrzC1 ASN 1308 HB3 -0.01 0.05 -0.05 -0.04 2.79 2.74 3hrzC1 ASN 1308 HD21 -0.00 0.02 -0.09 -0.04 7.03 6.92 3hrzC1 ASN 1308 HD22 0.02 -0.12 -0.21 -0.04 7.74 7.39 3hrzC1 ALA 1309 H -0.21 0.19 0.15 -0.55 8.40 7.97 3hrzC1 ALA 1309 HA 0.04 0.15 0.91 -0.75 4.34 4.69 3hrzC1 ALA 1309 HB3 -0.15 0.02 0.01 -0.04 1.41 1.25 3hrzC1 GLN 1310 H 0.04 0.11 0.12 -0.55 8.47 8.20 3hrzC1 GLN 1310 HA 0.01 0.03 0.47 -0.75 4.36 4.12 3hrzC1 GLN 1310 HB2 0.03 -0.01 0.12 -0.04 2.15 2.23 3hrzC1 GLN 1310 HB3 0.02 0.06 0.03 -0.04 2.02 2.08 3hrzC1 GLN 1310 HG2 0.04 -0.03 0.10 -0.04 2.40 2.47 3hrzC1 GLN 1310 HG3 0.03 0.01 0.05 -0.04 2.39 2.44 3hrzC1 GLN 1310 HE21 0.02 -0.00 -0.01 -0.04 6.97 6.93 3hrzC1 GLN 1310 HE22 0.03 -0.00 0.01 -0.04 7.69 7.68 3hrzC1 LEU 1311 H 0.00 0.12 0.11 -0.55 8.37 8.05 3hrzC1 LEU 1311 HA -0.00 0.15 0.24 -0.75 4.35 3.99 3hrzC1 LEU 1311 HB2 0.00 0.04 0.11 -0.04 1.64 1.75 3hrzC1 LEU 1311 HB3 0.01 0.00 0.14 -0.04 1.64 1.75 3hrzC1 LEU 1311 HG 0.01 0.01 0.19 -0.04 1.64 1.81 3hrzC1 LEU 1311 HD13 0.00 0.00 0.06 -0.04 0.93 0.96 3hrzC1 LEU 1311 HD23 0.01 0.01 0.09 -0.04 0.89 0.96 3hrzC1 VAL 1317 HA 0.05 -0.16 0.28 -0.75 4.13 3.55 3hrzC1 VAL 1317 HB 0.05 0.09 0.10 -0.04 2.12 2.33 3hrzC1 VAL 1317 HG13 0.03 -0.02 0.11 -0.04 0.97 1.05 3hrzC1 VAL 1317 HG23 0.04 -0.01 0.13 -0.04 0.95 1.07 3hrzC1 CYS 1318 H 0.07 0.04 -0.03 -0.55 8.50 8.03 3hrzC1 CYS 1318 HA 0.11 0.03 0.35 -0.75 4.58 4.32 3hrzC1 CYS 1318 HB2 0.09 0.17 0.10 -0.04 2.97 3.28 3hrzC1 CYS 1318 HB3 0.14 -0.01 0.31 -0.04 2.97 3.37 3hrzC1 ASN 1319 H 0.10 0.13 0.14 -0.55 8.53 8.34 3hrzC1 ASN 1319 HA 0.03 0.15 0.22 -0.75 4.76 4.41 3hrzC1 ASN 1319 HB2 0.06 -0.01 0.17 -0.04 2.88 3.06 3hrzC1 ASN 1319 HB3 0.05 -0.03 0.07 -0.04 2.79 2.84 3hrzC1 ASN 1319 HD21 0.01 0.02 -0.01 -0.04 7.03 7.01 3hrzC1 ASN 1319 HD22 0.02 -0.04 -0.03 -0.04 7.74 7.66 3hrzC1 LYS 1320 H 0.13 0.01 0.07 -0.55 8.42 8.07 3hrzC1 LYS 1320 HA -0.20 0.26 0.82 -0.75 4.32 4.45 3hrzC1 LYS 1320 HB2 0.15 -0.01 0.05 -0.04 1.87 2.02 3hrzC1 LYS 1320 HB3 -0.10 -0.05 0.11 -0.04 1.79 1.71 3hrzC1 LYS 1320 HG2 -0.07 0.06 -0.05 -0.04 1.46 1.36 3hrzC1 LYS 1320 HG3 0.00 -0.05 -0.23 -0.04 1.46 1.14 3hrzC1 LYS 1320 HD2 0.12 -0.04 0.01 -0.04 1.69 1.74 3hrzC1 LYS 1320 HD3 0.13 -0.01 0.01 -0.04 1.68 1.77 3hrzC1 LYS 1320 HE2 0.03 0.02 -0.01 -0.04 2.99 2.99 3hrzC1 LYS 1320 HE3 0.03 0.02 -0.03 -0.04 2.99 2.97 3hrzC1 PHE 1321 H 0.21 0.08 -0.12 -0.55 8.34 7.96 3hrzC1 PHE 1321 HA 0.04 0.22 0.89 -0.75 4.62 5.01 3hrzC1 PHE 1321 HB2 0.09 -0.05 -0.07 -0.04 3.15 3.08 3hrzC1 PHE 1321 HB3 0.09 0.14 -0.09 -0.04 3.06 3.16 3hrzC1 PHE 1321 HD2 0.14 -0.02 -0.25 -0.04 7.28 7.11 3hrzC1 PHE 1321 HE2 0.11 -0.05 -0.15 -0.04 7.38 7.26 3hrzC1 PHE 1321 HZ -0.02 -0.05 -0.23 -0.04 7.32 6.98 3hrzC1 HIS 1322 H 0.15 0.60 0.25 -0.55 8.41 8.87 3hrzC1 HIS 1322 HA 0.09 0.22 0.85 -0.75 4.63 5.03 3hrzC1 HIS 1322 HB2 0.06 -0.04 0.06 -0.04 3.26 3.31 3hrzC1 HIS 1322 HB3 0.05 -0.01 -0.07 -0.04 3.20 3.13 3hrzC1 HIS 1322 HD2 0.04 0.17 0.07 -0.04 6.97 7.21 3hrzC1 HIS 1322 HE1 0.00 -0.02 -0.05 -0.04 7.75 7.64 3hrzC1 LEU 1323 H 0.13 0.30 0.10 -0.55 8.37 8.35 3hrzC1 LEU 1323 HA 0.08 0.33 0.97 -0.75 4.35 4.97 3hrzC1 LEU 1323 HB2 0.07 -0.00 -0.29 -0.04 1.64 1.38 3hrzC1 LEU 1323 HB3 0.07 -0.01 -0.07 -0.04 1.64 1.59 3hrzC1 LEU 1323 HG 0.01 -0.02 -0.38 -0.04 1.64 1.20 3hrzC1 LEU 1323 HD13 -0.02 0.03 -0.14 -0.04 0.93 0.76 3hrzC1 LEU 1323 HD23 -0.02 -0.02 -0.28 -0.04 0.89 0.53 3hrzC1 ASN 1324 H 0.03 0.72 0.35 -0.55 8.53 9.08 3hrzC1 ASN 1324 HA 0.01 0.18 0.88 -0.75 4.76 5.07 3hrzC1 ASN 1324 HB2 -0.00 -0.10 0.10 -0.04 2.88 2.84 3hrzC1 ASN 1324 HB3 -0.01 0.04 -0.09 -0.04 2.79 2.69 3hrzC1 ASN 1324 HD21 -0.01 0.00 -0.11 -0.04 7.03 6.87 3hrzC1 ASN 1324 HD22 0.00 -0.04 -0.09 -0.04 7.74 7.57 3hrzC1 VAL 1325 H 0.00 0.29 0.17 -0.55 8.24 8.15 3hrzC1 VAL 1325 HA -0.07 0.37 1.11 -0.75 4.13 4.79 3hrzC1 VAL 1325 HB 0.03 0.05 -0.06 -0.04 2.12 2.10 3hrzC1 VAL 1325 HG13 -0.16 -0.01 -0.24 -0.04 0.97 0.52 3hrzC1 VAL 1325 HG23 -0.03 -0.02 -0.28 -0.04 0.95 0.59 3hrzC1 SER 1326 H -0.12 0.64 0.37 -0.55 8.46 8.81 3hrzC1 SER 1326 HA -0.01 0.16 0.59 -0.75 4.49 4.47 3hrzC1 SER 1326 HB2 -0.03 0.02 0.12 -0.04 3.95 4.02 3hrzC1 SER 1326 HB3 -0.03 0.06 -0.06 -0.04 3.93 3.87 3hrzC1 VAL 1327 H -0.02 0.30 0.19 -0.55 8.24 8.16 3hrzC1 VAL 1327 HA -0.15 0.39 0.97 -0.75 4.13 4.58 3hrzC1 VAL 1327 HB -0.07 -0.02 -0.20 -0.04 2.12 1.79 3hrzC1 VAL 1327 HG13 0.03 -0.01 -0.25 -0.04 0.97 0.69 3hrzC1 VAL 1327 HG23 -0.13 -0.00 -0.15 -0.04 0.95 0.63 3hrzC1 GLU 1328 H -0.09 0.40 0.33 -0.55 8.60 8.69 3hrzC1 GLU 1328 HA -0.04 0.19 0.97 -0.75 4.29 4.65 3hrzC1 GLU 1328 HB2 -0.05 -0.04 -0.00 -0.04 2.09 1.95 3hrzC1 GLU 1328 HB3 -0.03 0.10 0.06 -0.04 1.99 2.08 3hrzC1 GLU 1328 HG2 -0.03 0.02 -0.04 -0.04 2.34 2.25 3hrzC1 GLU 1328 HG3 -0.05 -0.05 -0.53 -0.04 2.34 1.67 3hrzC1 ASN 1329 H -0.02 0.14 0.19 -0.55 8.53 8.29 3hrzC1 ASN 1329 HA -0.01 0.22 0.91 -0.75 4.76 5.14 3hrzC1 ASN 1329 HB2 -0.01 -0.04 0.17 -0.04 2.88 2.96 3hrzC1 ASN 1329 HB3 0.01 0.01 -0.05 -0.04 2.79 2.72 3hrzC1 ASN 1329 HD21 0.03 0.01 0.01 -0.04 7.03 7.04 3hrzC1 ASN 1329 HD22 0.03 0.10 0.13 -0.04 7.74 7.95 3hrzC1 ILE 1330 H 0.03 0.51 0.17 -0.55 8.25 8.42 3hrzC1 ILE 1330 HA 0.04 0.14 0.56 -0.75 4.18 4.16 3hrzC1 ILE 1330 HB 0.03 0.00 -0.10 -0.04 1.89 1.79 3hrzC1 ILE 1330 HG12 0.01 0.00 -0.39 -0.04 1.49 1.08 3hrzC1 ILE 1330 HG13 0.03 -0.02 -0.33 -0.04 1.21 0.84 3hrzC1 ILE 1330 HG23 -0.00 0.00 -0.23 -0.04 0.93 0.66 3hrzC1 ILE 1330 HD13 0.01 0.01 -0.30 -0.04 0.88 0.57 3hrzC1 HIS 1331 H 0.12 0.16 0.07 -0.55 8.41 8.21 3hrzC1 HIS 1331 HA 0.01 0.18 0.73 -0.75 4.63 4.80 3hrzC1 HIS 1331 HB2 0.00 0.02 -0.04 -0.04 3.26 3.20 3hrzC1 HIS 1331 HB3 0.00 -0.02 0.10 -0.04 3.20 3.24 3hrzC1 HIS 1331 HD2 0.00 -0.01 -0.08 -0.04 6.97 6.84 3hrzC1 HIS 1331 HE1 0.00 0.05 -0.15 -0.04 7.75 7.61 3hrzC1 LEU 1332 H 0.01 0.29 0.03 -0.55 8.37 8.15 3hrzC1 LEU 1332 HA -0.16 0.16 0.93 -0.75 4.35 4.53 3hrzC1 LEU 1332 HB2 -0.01 -0.01 0.22 -0.04 1.64 1.80 3hrzC1 LEU 1332 HB3 -0.04 0.02 0.15 -0.04 1.64 1.73 3hrzC1 LEU 1332 HG 0.01 -0.01 -0.24 -0.04 1.64 1.36 3hrzC1 LEU 1332 HD13 0.01 -0.02 0.00 -0.04 0.93 0.88 3hrzC1 LEU 1332 HD23 -0.02 0.06 -0.07 -0.04 0.89 0.81 3hrzC1 ASN 1333 H -0.25 0.25 0.02 -0.55 8.53 8.01 3hrzC1 ASN 1333 HA -0.08 0.28 0.98 -0.75 4.76 5.18 3hrzC1 ASN 1333 HB2 -0.04 0.03 0.08 -0.04 2.88 2.90 3hrzC1 ASN 1333 HB3 -0.17 0.07 -0.20 -0.04 2.79 2.45 3hrzC1 ASN 1333 HD21 0.03 -0.00 -0.03 -0.04 7.03 6.99 3hrzC1 ASN 1333 HD22 0.06 0.02 -0.02 -0.04 7.74 7.76 3hrzC1 LYS 1338 HA -0.00 -0.05 0.26 -0.75 4.32 3.78 3hrzC1 LYS 1338 HB2 0.02 -0.03 0.15 -0.04 1.87 1.97 3hrzC1 LYS 1338 HB3 0.01 -0.13 0.20 -0.04 1.79 1.83 3hrzC1 LYS 1338 HG2 -0.00 0.10 0.44 -0.04 1.46 1.96 3hrzC1 LYS 1338 HG3 -0.01 -0.05 0.24 -0.04 1.46 1.60 3hrzC1 LYS 1338 HD2 -0.00 -0.03 0.05 -0.04 1.69 1.67 3hrzC1 LYS 1338 HD3 -0.00 0.02 0.08 -0.04 1.68 1.74 3hrzC1 LYS 1338 HE2 -0.00 0.01 -0.10 -0.04 2.99 2.86 3hrzC1 LYS 1338 HE3 -0.01 -0.02 -0.21 -0.04 2.99 2.70 3hrzC1 GLY 1339 H 0.01 0.04 0.12 -0.55 8.43 8.04 3hrzC1 GLY 1339 HA2 0.05 0.21 0.65 -0.51 4.01 4.41 3hrzC1 GLY 1339 HA3 0.04 0.00 0.43 -0.51 4.01 3.98 3hrzC1 ALA 1340 H 0.06 0.08 0.05 -0.55 8.40 8.04 3hrzC1 ALA 1340 HA 0.14 0.09 0.52 -0.75 4.34 4.34 3hrzC1 ALA 1340 HB3 0.05 0.00 0.08 -0.04 1.41 1.50 3hrzC1 LEU 1341 H 0.11 0.63 0.47 -0.55 8.37 9.03 3hrzC1 LEU 1341 HA -0.01 0.25 1.02 -0.75 4.35 4.85 3hrzC1 LEU 1341 HB2 -0.12 -0.07 0.07 -0.04 1.64 1.47 3hrzC1 LEU 1341 HB3 -0.12 -0.03 0.04 -0.04 1.64 1.48 3hrzC1 LEU 1341 HG 0.03 0.12 -0.22 -0.04 1.64 1.53 3hrzC1 LEU 1341 HD13 -0.57 -0.03 -0.08 -0.04 0.93 0.21 3hrzC1 LEU 1341 HD23 -0.06 0.00 -0.09 -0.04 0.89 0.70 3hrzC1 MET 1342 H -0.07 0.75 0.31 -0.55 8.47 8.92 3hrzC1 MET 1342 HA -0.09 0.13 0.97 -0.75 4.52 4.77 3hrzC1 MET 1342 HB2 -0.03 -0.02 -0.15 -0.04 2.15 1.92 3hrzC1 MET 1342 HB3 -0.06 -0.01 0.04 -0.04 2.03 1.95 3hrzC1 MET 1342 HG2 -0.05 -0.01 -0.15 -0.04 2.63 2.38 3hrzC1 MET 1342 HG3 -0.07 0.04 -0.37 -0.04 2.56 2.11 3hrzC1 MET 1342 HE3 0.06 -0.01 -0.12 -0.04 2.10 1.99 3hrzC1 LEU 1343 H -0.32 0.63 0.28 -0.55 8.37 8.41 3hrzC1 LEU 1343 HA -0.34 0.22 0.98 -0.75 4.35 4.46 3hrzC1 LEU 1343 HB2 -0.54 -0.07 0.00 -0.04 1.64 0.99 3hrzC1 LEU 1343 HB3 -0.96 0.02 0.15 -0.04 1.64 0.80 3hrzC1 LEU 1343 HG -0.54 0.00 -0.28 -0.04 1.64 0.78 3hrzC1 LEU 1343 HD13 -0.99 0.04 -0.09 -0.04 0.93 -0.14 3hrzC1 LEU 1343 HD23 -0.56 -0.01 -0.14 -0.04 0.89 0.14 3hrzC1 LYS 1344 H -0.22 0.80 0.41 -0.55 8.42 8.86 3hrzC1 LYS 1344 HA -0.07 0.27 1.17 -0.75 4.32 4.94 3hrzC1 LYS 1344 HB2 -0.09 -0.04 0.06 -0.04 1.87 1.75 3hrzC1 LYS 1344 HB3 -0.05 0.01 -0.04 -0.04 1.79 1.66 3hrzC1 LYS 1344 HG2 -0.06 0.02 -0.17 -0.04 1.46 1.20 3hrzC1 LYS 1344 HG3 -0.10 -0.03 -0.44 -0.04 1.46 0.85 3hrzC1 LYS 1344 HD2 -0.08 -0.01 -0.14 -0.04 1.69 1.43 3hrzC1 LYS 1344 HD3 -0.09 0.00 -0.12 -0.04 1.68 1.43 3hrzC1 LYS 1344 HE2 -0.17 -0.02 -0.15 -0.04 2.99 2.61 3hrzC1 LYS 1344 HE3 -0.09 -0.00 -0.15 -0.04 2.99 2.70 3hrzC1 ILE 1345 H -0.03 0.68 0.37 -0.55 8.25 8.72 3hrzC1 ILE 1345 HA -0.06 0.38 1.16 -0.75 4.18 4.91 3hrzC1 ILE 1345 HB -0.02 -0.05 0.05 -0.04 1.89 1.82 3hrzC1 ILE 1345 HG12 -0.12 0.05 -0.14 -0.04 1.49 1.23 3hrzC1 ILE 1345 HG13 -0.17 -0.12 -0.67 -0.04 1.21 0.21 3hrzC1 ILE 1345 HG23 -0.03 0.00 -0.22 -0.04 0.93 0.64 3hrzC1 ILE 1345 HD13 -0.06 -0.01 -0.19 -0.04 0.88 0.58 3hrzC1 CYS 1346 H -0.01 0.69 0.39 -0.55 8.50 9.03 3hrzC1 CYS 1346 HA 0.02 0.29 1.06 -0.75 4.58 5.20 3hrzC1 CYS 1346 HB2 0.01 -0.04 0.07 -0.04 2.97 2.97 3hrzC1 CYS 1346 HB3 0.03 -0.02 -0.12 -0.04 2.97 2.82 3hrzC1 THR 1347 H 0.06 0.67 0.35 -0.55 8.28 8.80 3hrzC1 THR 1347 HA 0.12 0.32 0.92 -0.75 4.39 4.99 3hrzC1 THR 1347 HB 0.04 -0.02 -0.18 -0.04 4.32 4.11 3hrzC1 THR 1347 HG23 0.05 -0.00 -0.07 -0.04 1.22 1.17 3hrzC1 ARG 1348 H 0.21 0.56 0.31 -0.55 8.46 8.98 3hrzC1 ARG 1348 HA 0.16 0.18 0.67 -0.75 4.34 4.59 3hrzC1 ARG 1348 HB2 0.09 -0.10 -0.28 -0.04 1.90 1.57 3hrzC1 ARG 1348 HB3 0.12 -0.05 -0.11 -0.04 1.80 1.72 3hrzC1 ARG 1348 HG2 0.04 0.24 -0.28 -0.04 1.67 1.64 3hrzC1 ARG 1348 HG3 0.07 0.10 -0.26 -0.04 1.67 1.55 3hrzC1 ARG 1348 HD2 0.02 0.14 -0.68 -0.04 3.22 2.65 3hrzC1 ARG 1348 HD3 0.04 -0.21 -0.61 -0.04 3.22 2.40 3hrzC1 TYR 1349 H 0.20 0.59 0.19 -0.55 8.29 8.73 3hrzC1 TYR 1349 HA -0.47 0.16 0.83 -0.75 4.56 4.33 3hrzC1 TYR 1349 HB2 -0.06 -0.04 -0.00 -0.04 3.06 2.92 3hrzC1 TYR 1349 HB3 -0.01 -0.00 -0.07 -0.04 2.98 2.85 3hrzC1 TYR 1349 HD2 -0.88 0.16 0.03 -0.04 7.15 6.42 3hrzC1 TYR 1349 HE2 -0.25 -0.03 -0.01 -0.04 6.85 6.53 3hrzC1 LEU 1350 H -0.81 0.67 0.27 -0.55 8.37 7.95 3hrzC1 LEU 1350 HA -0.29 0.22 0.65 -0.75 4.35 4.18 3hrzC1 LEU 1350 HB2 -0.39 -0.02 0.06 -0.04 1.64 1.24 3hrzC1 LEU 1350 HB3 -0.29 -0.00 0.13 -0.04 1.64 1.44 3hrzC1 LEU 1350 HG -0.37 -0.09 -0.47 -0.04 1.64 0.66 3hrzC1 LEU 1350 HD13 -0.43 0.05 -0.19 -0.04 0.93 0.32 3hrzC1 LEU 1350 HD23 -0.54 0.01 -0.27 -0.04 0.89 0.05 3hrzC1 GLY 1351 H -1.67 -0.03 -0.21 -0.55 8.43 5.97 3hrzC1 GLY 1351 HA2 -0.36 0.12 0.55 -0.51 4.01 3.81 3hrzC1 GLY 1351 HA3 -0.51 -0.06 0.36 -0.51 4.01 3.28 3hrzC1 GLU 1352 H -0.15 0.03 0.16 -0.55 8.60 8.10 3hrzC1 GLU 1352 HA -0.34 0.26 0.73 -0.75 4.29 4.19 3hrzC1 GLU 1352 HB2 -0.12 -0.04 0.06 -0.04 2.09 1.94 3hrzC1 GLU 1352 HB3 -0.13 0.00 0.10 -0.04 1.99 1.92 3hrzC1 GLU 1352 HG2 -0.12 -0.04 -0.06 -0.04 2.34 2.08 3hrzC1 GLU 1352 HG3 -0.08 -0.01 0.00 -0.04 2.34 2.21 3hrzC1 VAL 1353 H -0.13 0.05 0.06 -0.55 8.24 7.67 3hrzC1 VAL 1353 HA -0.28 0.18 0.55 -0.75 4.13 3.83 3hrzC1 VAL 1353 HB 0.01 -0.03 0.15 -0.04 2.12 2.20 3hrzC1 VAL 1353 HG13 -0.05 0.00 -0.08 -0.04 0.97 0.81 3hrzC1 VAL 1353 HG23 -0.02 0.01 -0.07 -0.04 0.95 0.83 3hrzC1 ASP 1354 H 0.17 0.10 0.10 -0.55 8.40 8.22 3hrzC1 ASP 1354 HA 0.23 0.07 0.45 -0.75 4.63 4.63 3hrzC1 ASP 1354 HB2 0.08 -0.01 0.02 -0.04 2.71 2.76 3hrzC1 ASP 1354 HB3 0.07 0.10 -0.12 -0.04 2.70 2.71 3hrzC1 SER 1355 H -0.13 0.41 0.24 -0.55 8.46 8.42 3hrzC1 SER 1355 HA -0.39 0.07 0.60 -0.75 4.49 4.01 3hrzC1 SER 1355 HB2 -0.38 0.02 -0.06 -0.04 3.95 3.49 3hrzC1 SER 1355 HB3 -2.20 0.01 0.07 -0.04 3.93 1.78 3hrzC1 THR 1356 H 0.03 0.10 0.17 -0.55 8.28 8.02 3hrzC1 THR 1356 HA 0.04 0.23 0.62 -0.75 4.39 4.52 3hrzC1 THR 1356 HB 0.07 0.01 0.09 -0.04 4.32 4.45 3hrzC1 THR 1356 HG23 0.29 -0.02 0.03 -0.04 1.22 1.48 3hrzC1 MET 1357 H 0.04 0.62 0.23 -0.55 8.47 8.82 3hrzC1 MET 1357 HA 0.05 0.26 0.44 -0.75 4.52 4.52 3hrzC1 MET 1357 HB2 0.07 -0.07 -0.07 -0.04 2.15 2.04 3hrzC1 MET 1357 HB3 0.06 0.00 0.13 -0.04 2.03 2.18 3hrzC1 MET 1357 HG2 -0.02 -0.04 -0.01 -0.04 2.63 2.53 3hrzC1 MET 1357 HG3 -0.15 -0.02 -0.01 -0.04 2.56 2.33 3hrzC1 MET 1357 HE3 -0.07 -0.01 0.00 -0.04 2.10 1.99 3hrzC1 THR 1358 H 0.05 0.33 -0.05 -0.55 8.28 8.06 3hrzC1 THR 1358 HA 0.01 0.12 0.89 -0.75 4.39 4.66 3hrzC1 THR 1358 HB 0.02 -0.05 -0.13 -0.04 4.32 4.12 3hrzC1 THR 1358 HG23 -0.13 0.02 -0.16 -0.04 1.22 0.91 3hrzC1 ILE 1359 H -0.30 0.87 0.41 -0.55 8.25 8.68 3hrzC1 ILE 1359 HA -0.26 0.27 1.08 -0.75 4.18 4.51 3hrzC1 ILE 1359 HB -0.85 -0.04 -0.01 -0.04 1.89 0.96 3hrzC1 ILE 1359 HG12 0.13 0.03 -0.17 -0.04 1.49 1.43 3hrzC1 ILE 1359 HG13 0.02 -0.07 -0.67 -0.04 1.21 0.45 3hrzC1 ILE 1359 HG23 -0.43 -0.01 -0.24 -0.04 0.93 0.22 3hrzC1 ILE 1359 HD13 0.28 -0.01 -0.17 -0.04 0.88 0.93 3hrzC1 ILE 1360 H -0.28 0.71 0.32 -0.55 8.25 8.45 3hrzC1 ILE 1360 HA -0.27 0.31 1.10 -0.75 4.18 4.57 3hrzC1 ILE 1360 HB -0.14 -0.06 0.19 -0.04 1.89 1.83 3hrzC1 ILE 1360 HG12 -0.14 -0.02 -0.14 -0.04 1.49 1.15 3hrzC1 ILE 1360 HG13 -0.08 -0.00 -0.09 -0.04 1.21 1.00 3hrzC1 ILE 1360 HG23 -0.08 0.00 -0.16 -0.04 0.93 0.65 3hrzC1 ILE 1360 HD13 -0.14 0.02 -0.13 -0.04 0.88 0.59 3hrzC1 ASP 1361 H -0.17 0.79 0.30 -0.55 8.40 8.78 3hrzC1 ASP 1361 HA -0.11 0.11 0.66 -0.75 4.63 4.54 3hrzC1 ASP 1361 HB2 -0.07 -0.02 -0.15 -0.04 2.71 2.42 3hrzC1 ASP 1361 HB3 0.02 -0.02 0.13 -0.04 2.70 2.80 3hrzC1 ILE 1362 H -0.03 0.69 0.37 -0.55 8.25 8.74 3hrzC1 ILE 1362 HA 0.03 0.28 1.09 -0.75 4.18 4.84 3hrzC1 ILE 1362 HB 0.07 -0.04 0.12 -0.04 1.89 2.00 3hrzC1 ILE 1362 HG12 0.00 0.00 -0.23 -0.04 1.49 1.23 3hrzC1 ILE 1362 HG13 -0.02 -0.00 -0.32 -0.04 1.21 0.82 3hrzC1 ILE 1362 HG23 0.11 0.00 -0.17 -0.04 0.93 0.83 3hrzC1 ILE 1362 HD13 0.13 -0.01 -0.15 -0.04 0.88 0.81 3hrzC1 SER 1363 H 0.09 0.70 0.41 -0.55 8.46 9.11 3hrzC1 SER 1363 HA 0.07 0.25 1.20 -0.75 4.49 5.26 3hrzC1 SER 1363 HB2 0.05 0.08 0.11 -0.04 3.95 4.16 3hrzC1 SER 1363 HB3 0.05 -0.04 0.06 -0.04 3.93 3.95 3hrzC1 MET 1364 H 0.08 0.60 0.33 -0.55 8.47 8.94 3hrzC1 MET 1364 HA 0.16 -0.04 0.46 -0.75 4.52 4.35 3hrzC1 MET 1364 HB2 0.09 -0.07 0.21 -0.04 2.15 2.34 3hrzC1 MET 1364 HB3 0.12 0.08 0.06 -0.04 2.03 2.26 3hrzC1 MET 1364 HG2 0.10 0.07 0.05 -0.04 2.63 2.81 3hrzC1 MET 1364 HG3 0.10 0.10 0.15 -0.04 2.56 2.87 3hrzC1 MET 1364 HE3 0.20 -0.02 -0.26 -0.04 2.10 1.98 3hrzC1 LEU 1365 H -0.01 0.03 0.13 -0.55 8.37 7.97 3hrzC1 LEU 1365 HA -0.16 0.30 0.54 -0.75 4.35 4.28 3hrzC1 LEU 1365 HB2 -0.41 -0.07 -0.01 -0.04 1.64 1.10 3hrzC1 LEU 1365 HB3 -0.30 0.05 -0.05 -0.04 1.64 1.30 3hrzC1 LEU 1365 HG -0.26 -0.04 0.05 -0.04 1.64 1.35 3hrzC1 LEU 1365 HD13 -0.52 -0.02 -0.06 -0.04 0.93 0.29 3hrzC1 LEU 1365 HD23 -0.39 0.03 0.04 -0.04 0.89 0.53 3hrzC1 THR 1366 H -0.05 0.26 0.17 -0.55 8.28 8.10 3hrzC1 THR 1366 HA 0.02 0.04 0.37 -0.75 4.39 4.07 3hrzC1 THR 1366 HB -0.03 -0.03 0.19 -0.04 4.32 4.42 3hrzC1 THR 1366 HG23 0.11 0.02 -0.02 -0.04 1.22 1.28 3hrzC1 GLY 1367 H -0.25 0.13 0.20 -0.55 8.43 7.97 3hrzC1 GLY 1367 HA2 -2.14 -0.08 0.37 -0.51 4.01 1.65 3hrzC1 GLY 1367 HA3 -0.88 0.32 0.54 -0.51 4.01 3.48 3hrzC1 PHE 1368 H 0.11 0.56 -0.15 -0.55 8.34 8.30 3hrzC1 PHE 1368 HA -0.07 0.16 1.09 -0.75 4.62 5.05 3hrzC1 PHE 1368 HB2 -0.05 0.08 -0.01 -0.04 3.15 3.12 3hrzC1 PHE 1368 HB3 -0.02 -0.06 -0.11 -0.04 3.06 2.84 3hrzC1 PHE 1368 HD2 -0.09 0.06 -0.53 -0.04 7.28 6.68 3hrzC1 PHE 1368 HE2 -0.09 0.06 -0.13 -0.04 7.38 7.19 3hrzC1 PHE 1368 HZ -0.08 0.04 -0.07 -0.04 7.32 7.17 3hrzC1 LEU 1369 H 0.07 0.67 0.35 -0.55 8.37 8.91 3hrzC1 LEU 1369 HA 0.07 0.24 0.74 -0.75 4.35 4.64 3hrzC1 LEU 1369 HB2 -0.04 -0.07 -0.00 -0.04 1.64 1.48 3hrzC1 LEU 1369 HB3 -0.04 0.27 0.10 -0.04 1.64 1.93 3hrzC1 LEU 1369 HG 0.04 -0.10 -0.51 -0.04 1.64 1.03 3hrzC1 LEU 1369 HD13 -0.37 -0.01 -0.16 -0.04 0.93 0.35 3hrzC1 LEU 1369 HD23 0.04 0.02 -0.04 -0.04 0.89 0.87 3hrzC1 PRO 1370 HA 0.20 0.11 0.67 -0.51 4.44 4.91 3hrzC1 PRO 1370 HB2 -0.19 -0.08 -0.00 -0.04 2.28 1.96 3hrzC1 PRO 1370 HB3 -0.13 0.04 0.08 -0.04 2.02 1.97 3hrzC1 PRO 1370 HG2 -0.14 0.04 0.04 -0.04 2.03 1.93 3hrzC1 PRO 1370 HG3 0.11 0.03 0.02 -0.04 2.03 2.16 3hrzC1 PRO 1370 HD2 -0.05 0.24 0.30 -0.04 3.68 4.13 3hrzC1 PRO 1370 HD3 0.04 0.24 0.26 -0.04 3.65 4.15 3hrzC1 ASP 1371 H 0.13 0.63 0.33 -0.55 8.40 8.94 3hrzC1 ASP 1371 HA 0.01 0.27 0.75 -0.75 4.63 4.91 3hrzC1 ASP 1371 HB2 0.06 0.05 0.09 -0.04 2.71 2.87 3hrzC1 ASP 1371 HB3 0.07 -0.08 0.27 -0.04 2.70 2.93 3hrzC1 ALA 1372 H -0.01 0.76 0.20 -0.55 8.40 8.80 3hrzC1 ALA 1372 HA -0.07 0.10 0.27 -0.75 4.34 3.89 3hrzC1 ALA 1372 HB3 0.03 -0.00 -0.22 -0.04 1.41 1.18 3hrzC1 GLU 1373 H 0.00 0.13 -0.06 -0.55 8.60 8.13 3hrzC1 GLU 1373 HA 0.01 0.11 0.43 -0.75 4.29 4.08 3hrzC1 GLU 1373 HB2 0.01 0.03 0.08 -0.04 2.09 2.17 3hrzC1 GLU 1373 HB3 0.01 -0.03 0.10 -0.04 1.99 2.02 3hrzC1 GLU 1373 HG2 0.00 0.02 -0.44 -0.04 2.34 1.88 3hrzC1 GLU 1373 HG3 0.00 0.02 -0.01 -0.04 2.34 2.32 3hrzC1 ASP 1374 H -0.00 0.07 -0.21 -0.55 8.40 7.70 3hrzC1 ASP 1374 HA -0.02 0.09 0.52 -0.75 4.63 4.47 3hrzC1 ASP 1374 HB2 0.05 0.05 0.20 -0.04 2.71 2.98 3hrzC1 ASP 1374 HB3 0.07 0.08 0.11 -0.04 2.70 2.92 3hrzC1 LEU 1375 H -0.12 0.48 -0.15 -0.55 8.37 8.03 3hrzC1 LEU 1375 HA -0.34 0.05 0.42 -0.75 4.35 3.73 3hrzC1 LEU 1375 HB2 -0.36 0.08 0.06 -0.04 1.64 1.38 3hrzC1 LEU 1375 HB3 -0.31 0.04 0.04 -0.04 1.64 1.37 3hrzC1 LEU 1375 HG -0.42 0.02 -0.09 -0.04 1.64 1.11 3hrzC1 LEU 1375 HD13 -0.64 -0.01 -0.03 -0.04 0.93 0.22 3hrzC1 LEU 1375 HD23 -0.89 -0.01 -0.07 -0.04 0.89 -0.11 3hrzC1 THR 1376 H -0.01 0.53 -0.14 -0.55 8.28 8.12 3hrzC1 THR 1376 HA 0.07 0.04 0.38 -0.75 4.39 4.12 3hrzC1 THR 1376 HB 0.02 0.07 0.14 -0.04 4.32 4.50 3hrzC1 THR 1376 HG23 0.01 -0.02 -0.09 -0.04 1.22 1.08 3hrzC1 ARG 1377 H -0.03 0.50 -0.16 -0.55 8.46 8.23 3hrzC1 ARG 1377 HA -0.02 -0.02 0.48 -0.75 4.34 4.03 3hrzC1 ARG 1377 HB2 -0.02 -0.06 0.13 -0.04 1.90 1.91 3hrzC1 ARG 1377 HB3 -0.04 0.10 0.26 -0.04 1.80 2.07 3hrzC1 ARG 1377 HG2 -0.05 0.07 -0.33 -0.04 1.67 1.32 3hrzC1 ARG 1377 HG3 -0.02 -0.05 0.01 -0.04 1.67 1.57 3hrzC1 ARG 1377 HD2 -0.03 -0.02 -0.01 -0.04 3.22 3.12 3hrzC1 ARG 1377 HD3 -0.01 -0.05 0.01 -0.04 3.22 3.12 3hrzC1 LEU 1378 H -0.08 0.60 -0.06 -0.55 8.37 8.28 3hrzC1 LEU 1378 HA -0.07 0.00 0.47 -0.75 4.35 4.00 3hrzC1 LEU 1378 HB2 -0.18 0.10 0.20 -0.04 1.64 1.72 3hrzC1 LEU 1378 HB3 -0.14 -0.04 -0.07 -0.04 1.64 1.35 3hrzC1 LEU 1378 HG -0.11 0.04 0.09 -0.04 1.64 1.62 3hrzC1 LEU 1378 HD13 -0.16 -0.04 -0.11 -0.04 0.93 0.59 3hrzC1 LEU 1378 HD23 -0.07 -0.03 0.08 -0.04 0.89 0.83 3hrzC1 SER 1379 H -0.04 0.34 -0.39 -0.55 8.46 7.82 3hrzC1 SER 1379 HA -0.04 -0.01 0.27 -0.75 4.49 3.95 3hrzC1 SER 1379 HB2 -0.04 -0.12 0.10 -0.04 3.95 3.85 3hrzC1 SER 1379 HB3 0.00 0.08 0.07 -0.04 3.93 4.04 3hrzC1 LYS 1380 H -0.02 0.31 -0.48 -0.55 8.42 7.68 3hrzC1 LYS 1380 HA 0.00 -0.00 0.52 -0.75 4.32 4.09 3hrzC1 LYS 1380 HB2 -0.01 0.10 0.07 -0.04 1.87 1.99 3hrzC1 LYS 1380 HB3 -0.00 -0.15 0.08 -0.04 1.79 1.68 3hrzC1 LYS 1380 HG2 -0.01 0.32 0.18 -0.04 1.46 1.91 3hrzC1 LYS 1380 HG3 -0.01 -0.10 0.10 -0.04 1.46 1.41 3hrzC1 LYS 1380 HD2 -0.00 -0.09 0.03 -0.04 1.69 1.59 3hrzC1 LYS 1380 HD3 -0.01 0.00 -0.04 -0.04 1.68 1.59 3hrzC1 LYS 1380 HE2 -0.01 -0.07 -0.02 -0.04 2.99 2.85 3hrzC1 LYS 1380 HE3 -0.01 0.08 -0.06 -0.04 2.99 2.96 3hrzC1 GLY 1381 H 0.01 0.05 0.13 -0.55 8.43 8.08 3hrzC1 GLY 1381 HA2 0.01 -0.05 0.42 -0.51 4.01 3.88 3hrzC1 GLY 1381 HA3 0.01 0.25 0.93 -0.51 4.01 4.69 3hrzC1 VAL 1382 H 0.01 0.15 0.17 -0.55 8.24 8.02 3hrzC1 VAL 1382 HA 0.02 0.18 0.57 -0.75 4.13 4.16 3hrzC1 VAL 1382 HB 0.01 -0.02 0.15 -0.04 2.12 2.22 3hrzC1 VAL 1382 HG13 0.01 0.01 0.15 -0.04 0.97 1.09 3hrzC1 VAL 1382 HG23 0.01 -0.00 0.05 -0.04 0.95 0.97 3hrzC1 ASP 1383 H 0.03 0.10 -0.66 -0.55 8.40 7.32 3hrzC1 ASP 1383 HA 0.03 0.21 0.95 -0.75 4.63 5.06 3hrzC1 ASP 1383 HB2 0.02 -0.07 0.17 -0.04 2.71 2.79 3hrzC1 ASP 1383 HB3 0.02 -0.03 -0.10 -0.04 2.70 2.54 3hrzC1 ARG 1384 H 0.05 0.33 -0.02 -0.55 8.46 8.27 3hrzC1 ARG 1384 HA 0.08 0.23 1.07 -0.75 4.34 4.97 3hrzC1 ARG 1384 HB2 0.03 0.12 -0.12 -0.04 1.90 1.90 3hrzC1 ARG 1384 HB3 0.04 0.01 0.02 -0.04 1.80 1.82 3hrzC1 ARG 1384 HG2 0.02 -0.01 -0.04 -0.04 1.67 1.60 3hrzC1 ARG 1384 HG3 0.03 -0.12 -0.46 -0.04 1.67 1.07 3hrzC1 ARG 1384 HD2 0.01 -0.09 -0.03 -0.04 3.22 3.06 3hrzC1 ARG 1384 HD3 -0.00 0.32 0.01 -0.04 3.22 3.51 3hrzC1 TYR 1385 H 0.17 0.50 0.32 -0.55 8.29 8.73 3hrzC1 TYR 1385 HA 0.04 0.13 0.49 -0.75 4.56 4.47 3hrzC1 TYR 1385 HB2 0.01 0.12 -0.02 -0.04 3.06 3.12 3hrzC1 TYR 1385 HB3 0.06 -0.07 0.00 -0.04 2.98 2.93 3hrzC1 TYR 1385 HD2 -0.08 0.02 -0.06 -0.04 7.15 6.98 3hrzC1 TYR 1385 HE2 -0.06 -0.04 -0.06 -0.04 6.85 6.65 3hrzC1 ILE 1386 H -0.50 0.31 0.16 -0.55 8.25 7.67 3hrzC1 ILE 1386 HA -0.08 0.22 0.89 -0.75 4.18 4.45 3hrzC1 ILE 1386 HB -0.08 -0.02 0.10 -0.04 1.89 1.85 3hrzC1 ILE 1386 HG12 -0.10 0.08 0.13 -0.04 1.49 1.55 3hrzC1 ILE 1386 HG13 -0.07 -0.07 -0.34 -0.04 1.21 0.69 3hrzC1 ILE 1386 HG23 -0.03 0.08 -0.04 -0.04 0.93 0.90 3hrzC1 ILE 1386 HD13 -0.14 -0.00 -0.12 -0.04 0.88 0.58 3hrzC1 SER 1387 H -0.00 0.17 0.13 -0.55 8.46 8.21 3hrzC1 SER 1387 HA -0.21 0.01 0.36 -0.75 4.49 3.90 3hrzC1 SER 1387 HB2 0.25 -0.01 0.08 -0.04 3.95 4.23 3hrzC1 SER 1387 HB3 0.14 0.01 0.14 -0.04 3.93 4.18 3hrzC1 ARG 1388 H 0.01 0.04 0.16 -0.55 8.46 8.11 3hrzC1 ARG 1388 HA -0.20 0.04 0.46 -0.75 4.34 3.89 3hrzC1 ARG 1388 HB2 -0.00 -0.01 0.17 -0.04 1.90 2.01 3hrzC1 ARG 1388 HB3 -0.00 -0.01 0.05 -0.04 1.80 1.80 3hrzC1 ARG 1388 HG2 -0.09 0.01 -0.15 -0.04 1.67 1.41 3hrzC1 ARG 1388 HG3 -0.10 0.02 0.04 -0.04 1.67 1.59 3hrzC1 ARG 1388 HD2 -0.02 0.00 0.01 -0.04 3.22 3.17 3hrzC1 ARG 1388 HD3 -0.01 -0.01 -0.04 -0.04 3.22 3.11 3hrzC1 TYR 1389 H -0.56 0.21 0.19 -0.55 8.29 7.58 3hrzC1 TYR 1389 HA -0.02 0.11 0.67 -0.75 4.56 4.57 3hrzC1 TYR 1389 HB2 -0.04 -0.03 -0.03 -0.04 3.06 2.92 3hrzC1 TYR 1389 HB3 -0.04 0.11 -0.10 -0.04 2.98 2.91 3hrzC1 TYR 1389 HD2 -0.07 0.20 -0.21 -0.04 7.15 7.02 3hrzC1 TYR 1389 HE2 -0.09 -0.00 -0.11 -0.04 6.85 6.61 3hrzC1 GLU 1390 H 0.07 0.15 0.12 -0.55 8.60 8.40 3hrzC1 GLU 1390 HA -0.00 0.11 0.73 -0.75 4.29 4.38 3hrzC1 GLU 1390 HB2 0.04 0.00 0.03 -0.04 2.09 2.11 3hrzC1 GLU 1390 HB3 0.02 0.02 0.09 -0.04 1.99 2.08 3hrzC1 GLU 1390 HG2 0.02 -0.01 0.07 -0.04 2.34 2.38 3hrzC1 GLU 1390 HG3 0.01 0.03 0.04 -0.04 2.34 2.38 3hrzC1 VAL 1391 H 0.03 0.22 0.19 -0.55 8.24 8.13 3hrzC1 VAL 1391 HA 0.05 0.38 0.99 -0.75 4.13 4.80 3hrzC1 VAL 1391 HB 0.03 -0.02 0.04 -0.04 2.12 2.13 3hrzC1 VAL 1391 HG13 0.03 -0.03 -0.29 -0.04 0.97 0.63 3hrzC1 VAL 1391 HG23 0.15 0.02 -0.28 -0.04 0.95 0.80 3hrzC1 ASP 1392 H -0.01 0.76 0.23 -0.55 8.40 8.83 3hrzC1 ASP 1392 HA 0.00 0.07 0.53 -0.75 4.63 4.48 3hrzC1 ASP 1392 HB2 0.00 0.07 -0.03 -0.04 2.71 2.71 3hrzC1 ASP 1392 HB3 -0.02 0.04 0.01 -0.04 2.70 2.69 3hrzC1 ASN 1393 H 0.00 0.17 0.12 -0.55 8.53 8.27 3hrzC1 ASN 1393 HA 0.01 0.03 0.35 -0.75 4.76 4.39 3hrzC1 ASN 1393 HB2 0.01 0.07 -0.25 -0.04 2.88 2.67 3hrzC1 ASN 1393 HB3 0.01 0.06 0.25 -0.04 2.79 3.08 3hrzC1 ASN 1393 HD21 0.01 0.02 0.03 -0.04 7.03 7.05 3hrzC1 ASN 1393 HD22 0.01 -0.01 0.05 -0.04 7.74 7.75 3hrzC1 ASN 1394 H 0.00 0.06 -0.17 -0.55 8.53 7.88 3hrzC1 ASN 1394 HA 0.01 -0.03 0.22 -0.75 4.76 4.20 3hrzC1 ASN 1394 HB2 0.00 -0.00 -0.05 -0.04 2.88 2.79 3hrzC1 ASN 1394 HB3 0.00 0.24 0.01 -0.04 2.79 3.00 3hrzC1 ASN 1394 HD21 0.01 -0.08 0.09 -0.04 7.03 7.00 3hrzC1 ASN 1394 HD22 0.00 0.12 0.05 -0.04 7.74 7.87 3hrzC1 MET 1395 H -0.02 0.41 -0.61 -0.55 8.47 7.71 3hrzC1 MET 1395 HA -0.03 0.24 1.10 -0.75 4.52 5.07 3hrzC1 MET 1395 HB2 -0.10 0.04 0.03 -0.04 2.15 2.08 3hrzC1 MET 1395 HB3 -0.08 0.04 -0.08 -0.04 2.03 1.86 3hrzC1 MET 1395 HG2 -0.02 -0.05 -0.17 -0.04 2.63 2.35 3hrzC1 MET 1395 HG3 -0.02 0.29 -0.22 -0.04 2.56 2.57 3hrzC1 MET 1395 HE3 -0.03 -0.01 -0.31 -0.04 2.10 1.70 3hrzC1 ALA 1396 H -0.08 0.55 0.09 -0.55 8.40 8.40 3hrzC1 ALA 1396 HA 0.02 0.18 0.68 -0.75 4.34 4.47 3hrzC1 ALA 1396 HB3 -0.42 -0.00 0.01 -0.04 1.41 0.95 3hrzC1 GLN 1397 H 0.06 0.64 0.19 -0.55 8.47 8.81 3hrzC1 GLN 1397 HA -0.04 0.11 0.33 -0.75 4.36 4.00 3hrzC1 GLN 1397 HB2 0.04 -0.07 0.17 -0.04 2.15 2.24 3hrzC1 GLN 1397 HB3 0.01 -0.02 0.11 -0.04 2.02 2.08 3hrzC1 GLN 1397 HG2 -0.00 0.10 -0.17 -0.04 2.40 2.28 3hrzC1 GLN 1397 HG3 0.00 -0.07 -0.17 -0.04 2.39 2.12 3hrzC1 GLN 1397 HE21 -0.23 0.02 -0.11 -0.04 6.97 6.61 3hrzC1 GLN 1397 HE22 -0.08 0.06 -0.02 -0.04 7.69 7.61 3hrzC1 LYS 1398 H -0.03 0.63 -0.07 -0.55 8.42 8.40 3hrzC1 LYS 1398 HA 0.03 0.08 0.83 -0.75 4.32 4.50 3hrzC1 LYS 1398 HB2 -0.09 -0.04 -0.07 -0.04 1.87 1.62 3hrzC1 LYS 1398 HB3 -0.02 0.17 -0.15 -0.04 1.79 1.75 3hrzC1 LYS 1398 HG2 0.07 -0.10 -0.34 -0.04 1.46 1.04 3hrzC1 LYS 1398 HG3 0.03 0.02 -0.07 -0.04 1.46 1.39 3hrzC1 LYS 1398 HD2 0.04 0.10 0.12 -0.04 1.69 1.91 3hrzC1 LYS 1398 HD3 0.05 0.02 0.20 -0.04 1.68 1.90 3hrzC1 LYS 1398 HE2 0.06 -0.07 0.08 -0.04 2.99 3.01 3hrzC1 LYS 1398 HE3 0.10 -0.04 0.12 -0.04 2.99 3.12 3hrzC1 VAL 1399 H 0.05 0.13 0.14 -0.55 8.24 8.01 3hrzC1 VAL 1399 HA 0.07 0.20 0.73 -0.75 4.13 4.38 3hrzC1 VAL 1399 HB 0.08 -0.02 0.12 -0.04 2.12 2.26 3hrzC1 VAL 1399 HG13 0.09 0.01 0.02 -0.04 0.97 1.05 3hrzC1 VAL 1399 HG23 0.13 0.02 -0.00 -0.04 0.95 1.05 3hrzC1 ALA 1400 H 0.04 0.08 0.03 -0.55 8.40 8.01 3hrzC1 ALA 1400 HA 0.04 0.36 1.02 -0.75 4.34 5.01 3hrzC1 ALA 1400 HB3 0.04 -0.01 0.02 -0.04 1.41 1.42 3hrzC1 VAL 1401 H 0.01 0.81 0.27 -0.55 8.24 8.79 3hrzC1 VAL 1401 HA -0.05 0.12 0.85 -0.75 4.13 4.30 3hrzC1 VAL 1401 HB -0.03 -0.01 0.07 -0.04 2.12 2.11 3hrzC1 VAL 1401 HG13 -0.22 -0.00 -0.20 -0.04 0.97 0.50 3hrzC1 VAL 1401 HG23 -0.09 -0.00 -0.23 -0.04 0.95 0.59 3hrzC1 ILE 1402 H -0.07 0.19 0.17 -0.55 8.25 7.99 3hrzC1 ILE 1402 HA -0.20 0.28 1.12 -0.75 4.18 4.63 3hrzC1 ILE 1402 HB -0.20 -0.06 0.06 -0.04 1.89 1.65 3hrzC1 ILE 1402 HG12 -0.01 -0.03 -0.20 -0.04 1.49 1.21 3hrzC1 ILE 1402 HG13 0.05 0.01 -0.10 -0.04 1.21 1.12 3hrzC1 ILE 1402 HG23 -0.57 0.01 -0.19 -0.04 0.93 0.14 3hrzC1 ILE 1402 HD13 -0.02 0.03 -0.23 -0.04 0.88 0.62 3hrzC1 ILE 1403 H -0.29 0.73 0.34 -0.55 8.25 8.48 3hrzC1 ILE 1403 HA -0.16 0.24 1.11 -0.75 4.18 4.61 3hrzC1 ILE 1403 HB -0.14 -0.06 0.16 -0.04 1.89 1.81 3hrzC1 ILE 1403 HG12 -0.16 0.04 -0.12 -0.04 1.49 1.20 3hrzC1 ILE 1403 HG13 -0.16 -0.08 -0.37 -0.04 1.21 0.56 3hrzC1 ILE 1403 HG23 -0.06 0.01 -0.15 -0.04 0.93 0.69 3hrzC1 ILE 1403 HD13 -0.09 -0.01 -0.11 -0.04 0.88 0.64 3hrzC1 TYR 1404 H 0.12 0.74 0.34 -0.55 8.29 8.93 3hrzC1 TYR 1404 HA -0.02 0.20 0.96 -0.75 4.56 4.95 3hrzC1 TYR 1404 HB2 0.15 -0.03 0.14 -0.04 3.06 3.28 3hrzC1 TYR 1404 HB3 0.06 0.01 -0.04 -0.04 2.98 2.97 3hrzC1 TYR 1404 HD2 0.10 0.14 -0.11 -0.04 7.15 7.23 3hrzC1 TYR 1404 HE2 0.08 -0.05 -0.09 -0.04 6.85 6.76 3hrzC1 LEU 1405 H 0.04 0.85 0.32 -0.55 8.37 9.04 3hrzC1 LEU 1405 HA 0.06 0.23 0.99 -0.75 4.35 4.87 3hrzC1 LEU 1405 HB2 0.00 -0.00 0.00 -0.04 1.64 1.60 3hrzC1 LEU 1405 HB3 0.03 0.03 -0.07 -0.04 1.64 1.59 3hrzC1 LEU 1405 HG 0.02 0.04 0.02 -0.04 1.64 1.67 3hrzC1 LEU 1405 HD13 -0.00 0.01 -0.24 -0.04 0.93 0.66 3hrzC1 LEU 1405 HD23 -0.01 -0.01 -0.13 -0.04 0.89 0.69 3hrzC1 ASN 1406 H 0.04 0.75 0.36 -0.55 8.53 9.15 3hrzC1 ASN 1406 HA 0.03 0.01 0.54 -0.75 4.76 4.59 3hrzC1 ASN 1406 HB2 0.03 0.03 0.24 -0.04 2.88 3.13 3hrzC1 ASN 1406 HB3 0.02 -0.06 0.09 -0.04 2.79 2.80 3hrzC1 ASN 1406 HD21 0.01 0.08 0.05 -0.04 7.03 7.12 3hrzC1 ASN 1406 HD22 0.01 -0.03 0.13 -0.04 7.74 7.81 3hrzC1 LYS 1407 H 0.04 0.28 0.03 -0.55 8.42 8.21 3hrzC1 LYS 1407 HA 0.04 0.23 0.28 -0.75 4.32 4.12 3hrzC1 LYS 1407 HB2 0.03 0.02 -0.11 -0.04 1.87 1.77 3hrzC1 LYS 1407 HB3 0.03 0.09 -0.13 -0.04 1.79 1.74 3hrzC1 LYS 1407 HG2 0.03 -0.04 -0.14 -0.04 1.46 1.27 3hrzC1 LYS 1407 HG3 0.04 -0.03 -0.43 -0.04 1.46 1.00 3hrzC1 LYS 1407 HD2 0.05 -0.06 -0.17 -0.04 1.69 1.47 3hrzC1 LYS 1407 HD3 0.04 0.03 -0.13 -0.04 1.68 1.58 3hrzC1 LYS 1407 HE2 0.03 0.02 -0.08 -0.04 2.99 2.91 3hrzC1 LYS 1407 HE3 0.03 -0.03 -0.10 -0.04 2.99 2.86 3hrzC1 VAL 1408 H 0.05 0.48 0.20 -0.55 8.24 8.41 3hrzC1 VAL 1408 HA 0.07 0.17 0.77 -0.75 4.13 4.40 3hrzC1 VAL 1408 HB 0.20 -0.03 0.04 -0.04 2.12 2.28 3hrzC1 VAL 1408 HG13 0.22 0.00 -0.19 -0.04 0.97 0.97 3hrzC1 VAL 1408 HG23 0.07 0.01 -0.10 -0.04 0.95 0.89 3hrzC1 SER 1409 H 0.07 0.21 0.14 -0.55 8.46 8.34 3hrzC1 SER 1409 HA 0.08 -0.00 0.43 -0.75 4.49 4.24 3hrzC1 SER 1409 HB2 0.02 0.04 0.12 -0.04 3.95 4.10 3hrzC1 SER 1409 HB3 0.04 0.37 0.19 -0.04 3.93 4.49 3hrzC1 HIS 1410 H 0.09 0.09 0.13 -0.55 8.41 8.17 3hrzC1 HIS 1410 HA 0.07 0.29 0.90 -0.75 4.63 5.14 3hrzC1 HIS 1410 HB2 0.00 0.26 -0.14 -0.04 3.26 3.35 3hrzC1 HIS 1410 HB3 0.20 -0.04 -0.35 -0.04 3.20 2.97 3hrzC1 HIS 1410 HD2 -0.02 0.11 -0.16 -0.04 6.97 6.85 3hrzC1 HIS 1410 HE1 0.02 -0.04 -0.04 -0.04 7.75 7.64 3hrzC1 SER 1411 H -0.20 -0.12 -0.05 -0.55 8.46 7.54 3hrzC1 SER 1411 HA -0.18 0.27 0.68 -0.75 4.49 4.51 3hrzC1 SER 1411 HB2 -0.16 -0.02 -0.00 -0.04 3.95 3.72 3hrzC1 SER 1411 HB3 -0.16 0.04 0.03 -0.04 3.93 3.80 3hrzC1 GLU 1412 H -0.04 0.04 -0.04 -0.55 8.60 8.02 3hrzC1 GLU 1412 HA 0.00 0.17 0.79 -0.75 4.29 4.49 3hrzC1 GLU 1412 HB2 -0.02 0.02 -0.22 -0.04 2.09 1.83 3hrzC1 GLU 1412 HB3 -0.01 -0.07 -0.03 -0.04 1.99 1.84 3hrzC1 GLU 1412 HG2 0.01 0.27 -0.08 -0.04 2.34 2.50 3hrzC1 GLU 1412 HG3 0.00 -0.04 0.08 -0.04 2.34 2.34 3hrzC1 ASP 1413 H 0.03 0.11 0.06 -0.55 8.40 8.05 3hrzC1 ASP 1413 HA 0.06 0.16 0.35 -0.75 4.63 4.45 3hrzC1 ASP 1413 HB2 0.03 -0.03 0.04 -0.04 2.71 2.70 3hrzC1 ASP 1413 HB3 0.04 0.00 -0.17 -0.04 2.70 2.53 3hrzC1 GLU 1414 H 0.07 0.82 0.44 -0.55 8.60 9.38 3hrzC1 GLU 1414 HA 0.03 0.13 0.97 -0.75 4.29 4.67 3hrzC1 GLU 1414 HB2 0.06 0.02 0.27 -0.04 2.09 2.40 3hrzC1 GLU 1414 HB3 0.04 0.05 0.08 -0.04 1.99 2.12 3hrzC1 GLU 1414 HG2 0.03 0.06 0.08 -0.04 2.34 2.47 3hrzC1 GLU 1414 HG3 0.05 0.03 -0.02 -0.04 2.34 2.36 3hrzC1 CYS 1415 H 0.04 0.19 0.18 -0.55 8.50 8.36 3hrzC1 CYS 1415 HA 0.03 0.39 1.18 -0.75 4.58 5.43 3hrzC1 CYS 1415 HB2 0.04 -0.04 0.04 -0.04 2.97 2.97 3hrzC1 CYS 1415 HB3 0.04 0.04 -0.01 -0.04 2.97 3.00 3hrzC1 LEU 1416 H 0.04 0.69 0.45 -0.55 8.37 9.01 3hrzC1 LEU 1416 HA 0.07 0.11 0.46 -0.75 4.35 4.24 3hrzC1 LEU 1416 HB2 0.02 -0.01 0.13 -0.04 1.64 1.74 3hrzC1 LEU 1416 HB3 0.01 0.10 0.07 -0.04 1.64 1.78 3hrzC1 LEU 1416 HG 0.02 0.03 -0.04 -0.04 1.64 1.61 3hrzC1 LEU 1416 HD13 0.11 -0.01 -0.25 -0.04 0.93 0.74 3hrzC1 LEU 1416 HD23 -0.00 0.00 -0.12 -0.04 0.89 0.73 3hrzC1 HIS 1417 H -0.15 0.32 0.23 -0.55 8.41 8.26 3hrzC1 HIS 1417 HA -0.10 0.36 0.87 -0.75 4.63 5.01 3hrzC1 HIS 1417 HB2 -0.07 0.01 0.01 -0.04 3.26 3.17 3hrzC1 HIS 1417 HB3 -0.05 0.01 -0.13 -0.04 3.20 2.99 3hrzC1 HIS 1417 HD2 0.00 -0.02 -0.18 -0.04 6.97 6.73 3hrzC1 HIS 1417 HE1 0.01 -0.02 -0.06 -0.04 7.75 7.63 3hrzC1 PHE 1418 H -0.28 0.58 0.35 -0.55 8.34 8.43 3hrzC1 PHE 1418 HA -0.06 0.03 0.39 -0.75 4.62 4.23 3hrzC1 PHE 1418 HB2 -0.08 -0.10 0.12 -0.04 3.15 3.05 3hrzC1 PHE 1418 HB3 -0.13 0.20 0.04 -0.04 3.06 3.13 3hrzC1 PHE 1418 HD2 -0.08 0.09 -0.29 -0.04 7.28 6.95 3hrzC1 PHE 1418 HE2 -0.08 0.01 -0.14 -0.04 7.38 7.12 3hrzC1 PHE 1418 HZ -0.09 0.03 -0.14 -0.04 7.32 7.08 3hrzC1 LYS 1419 H 0.15 0.06 0.22 -0.55 8.42 8.29 3hrzC1 LYS 1419 HA -0.02 0.28 0.87 -0.75 4.32 4.70 3hrzC1 LYS 1419 HB2 0.07 -0.14 0.19 -0.04 1.87 1.96 3hrzC1 LYS 1419 HB3 0.05 0.08 0.06 -0.04 1.79 1.94 3hrzC1 LYS 1419 HG2 0.03 0.09 -0.03 -0.04 1.46 1.51 3hrzC1 LYS 1419 HG3 0.06 -0.06 0.03 -0.04 1.46 1.45 3hrzC1 LYS 1419 HD2 0.03 0.02 -0.05 -0.04 1.69 1.65 3hrzC1 LYS 1419 HD3 0.03 0.03 -0.07 -0.04 1.68 1.63 3hrzC1 LYS 1419 HE2 0.04 -0.09 0.04 -0.04 2.99 2.94 3hrzC1 LYS 1419 HE3 0.02 0.03 -0.01 -0.04 2.99 2.99 3hrzC1 ILE 1420 H 0.01 0.61 0.39 -0.55 8.25 8.71 3hrzC1 ILE 1420 HA 0.15 0.12 0.84 -0.75 4.18 4.54 3hrzC1 ILE 1420 HB 0.20 0.06 -0.10 -0.04 1.89 2.00 3hrzC1 ILE 1420 HG12 -0.08 -0.02 0.01 -0.04 1.49 1.36 3hrzC1 ILE 1420 HG13 0.10 -0.01 -0.07 -0.04 1.21 1.18 3hrzC1 ILE 1420 HG23 -0.01 0.01 -0.21 -0.04 0.93 0.68 3hrzC1 ILE 1420 HD13 -0.16 0.01 -0.09 -0.04 0.88 0.59 3hrzC1 LEU 1421 H 0.12 0.84 0.30 -0.55 8.37 9.09 3hrzC1 LEU 1421 HA 0.08 0.07 0.89 -0.75 4.35 4.64 3hrzC1 LEU 1421 HB2 -0.00 0.09 -0.07 -0.04 1.64 1.62 3hrzC1 LEU 1421 HB3 -0.01 0.00 0.05 -0.04 1.64 1.65 3hrzC1 LEU 1421 HG 0.05 -0.05 -0.14 -0.04 1.64 1.46 3hrzC1 LEU 1421 HD13 0.01 0.01 0.01 -0.04 0.93 0.92 3hrzC1 LEU 1421 HD23 0.05 0.01 -0.19 -0.04 0.89 0.72 3hrzC1 LYS 1422 H -0.19 0.04 0.08 -0.55 8.42 7.79 3hrzC1 LYS 1422 HA -1.09 0.14 0.57 -0.75 4.32 3.19 3hrzC1 LYS 1422 HB2 -0.66 0.02 0.01 -0.04 1.87 1.20 3hrzC1 LYS 1422 HB3 -0.26 -0.07 0.09 -0.04 1.79 1.51 3hrzC1 LYS 1422 HG2 -0.27 -0.03 -0.48 -0.04 1.46 0.65 3hrzC1 LYS 1422 HG3 -0.63 0.18 -0.14 -0.04 1.46 0.83 3hrzC1 LYS 1422 HD2 -0.15 -0.03 -0.10 -0.04 1.69 1.37 3hrzC1 LYS 1422 HD3 -0.15 -0.06 -0.21 -0.04 1.68 1.21 3hrzC1 LYS 1422 HE2 -0.28 0.07 -0.07 -0.04 2.99 2.67 3hrzC1 LYS 1422 HE3 -0.18 0.01 -0.05 -0.04 2.99 2.73 3hrzC1 HIS 1423 H -0.29 0.78 0.53 -0.55 8.41 8.88 3hrzC1 HIS 1423 HA -0.06 0.08 0.71 -0.75 4.63 4.60 3hrzC1 HIS 1423 HB2 -0.04 -0.03 -0.06 -0.04 3.26 3.09 3hrzC1 HIS 1423 HB3 -0.13 -0.00 0.01 -0.04 3.20 3.03 3hrzC1 HIS 1423 HD2 0.05 0.02 0.03 -0.04 6.97 7.02 3hrzC1 HIS 1423 HE1 0.11 -0.03 -0.08 -0.04 7.75 7.71 3hrzC1 PHE 1424 H -0.56 0.34 0.28 -0.55 8.34 7.86 3hrzC1 PHE 1424 HA -0.16 0.17 0.73 -0.75 4.62 4.61 3hrzC1 PHE 1424 HB2 -0.14 0.02 0.09 -0.04 3.15 3.08 3hrzC1 PHE 1424 HB3 -0.35 0.04 -0.09 -0.04 3.06 2.62 3hrzC1 PHE 1424 HD2 -0.29 0.10 -0.23 -0.04 7.28 6.82 3hrzC1 PHE 1424 HE2 0.05 0.01 -0.08 -0.04 7.38 7.32 3hrzC1 PHE 1424 HZ 0.03 -0.01 0.01 -0.04 7.32 7.30 3hrzC1 GLU 1425 H 0.08 0.11 0.11 -0.55 8.60 8.37 3hrzC1 GLU 1425 HA -0.05 0.20 0.81 -0.75 4.29 4.49 3hrzC1 GLU 1425 HB2 0.02 -0.04 0.08 -0.04 2.09 2.11 3hrzC1 GLU 1425 HB3 0.03 0.04 -0.07 -0.04 1.99 1.94 3hrzC1 GLU 1425 HG2 -0.01 0.05 0.01 -0.04 2.34 2.35 3hrzC1 GLU 1425 HG3 -0.06 0.01 -0.12 -0.04 2.34 2.13 3hrzC1 VAL 1426 H 0.03 0.26 0.11 -0.55 8.24 8.08 3hrzC1 VAL 1426 HA 0.11 0.16 0.68 -0.75 4.13 4.32 3hrzC1 VAL 1426 HB 0.10 -0.05 0.02 -0.04 2.12 2.15 3hrzC1 VAL 1426 HG13 0.22 0.01 -0.06 -0.04 0.97 1.10 3hrzC1 VAL 1426 HG23 0.01 -0.01 -0.21 -0.04 0.95 0.70 3hrzC1 GLY 1427 H 0.09 0.13 0.11 -0.55 8.43 8.21 3hrzC1 GLY 1427 HA2 0.08 0.08 0.46 -0.51 4.01 4.12 3hrzC1 GLY 1427 HA3 0.10 -0.00 0.33 -0.51 4.01 3.93 3hrzC1 PHE 1428 H 0.19 0.14 -0.04 -0.55 8.34 8.08 3hrzC1 PHE 1428 HA 0.06 0.21 0.78 -0.75 4.62 4.91 3hrzC1 PHE 1428 HB2 0.03 0.06 -0.11 -0.04 3.15 3.08 3hrzC1 PHE 1428 HB3 0.03 -0.07 -0.02 -0.04 3.06 2.96 3hrzC1 PHE 1428 HD2 0.03 -0.00 -0.11 -0.04 7.28 7.16 3hrzC1 PHE 1428 HE2 -0.07 -0.02 -0.06 -0.04 7.38 7.19 3hrzC1 PHE 1428 HZ -0.14 -0.03 -0.01 -0.04 7.32 7.09 3hrzC1 ILE 1429 H -0.56 0.19 0.08 -0.55 8.25 7.41 3hrzC1 ILE 1429 HA -0.21 0.12 0.78 -0.75 4.18 4.12 3hrzC1 ILE 1429 HB -0.24 -0.06 0.11 -0.04 1.89 1.66 3hrzC1 ILE 1429 HG12 -0.09 -0.05 -0.02 -0.04 1.49 1.28 3hrzC1 ILE 1429 HG13 -0.08 0.00 -0.01 -0.04 1.21 1.08 3hrzC1 ILE 1429 HG23 -0.18 0.09 -0.08 -0.04 0.93 0.71 3hrzC1 ILE 1429 HD13 0.05 0.04 -0.10 -0.04 0.88 0.83 3hrzC1 GLN 1430 H -0.15 0.10 0.18 -0.55 8.47 8.06 3hrzC1 GLN 1430 HA -0.08 0.09 0.62 -0.75 4.36 4.24 3hrzC1 GLN 1430 HB2 0.01 -0.11 0.18 -0.04 2.15 2.19 3hrzC1 GLN 1430 HB3 0.04 0.21 0.02 -0.04 2.02 2.25 3hrzC1 GLN 1430 HG2 0.21 0.01 0.04 -0.04 2.40 2.61 3hrzC1 GLN 1430 HG3 0.15 -0.04 0.03 -0.04 2.39 2.49 3hrzC1 GLN 1430 HE21 0.07 -0.01 0.01 -0.04 6.97 7.00 3hrzC1 GLN 1430 HE22 0.09 -0.00 0.01 -0.04 7.69 7.75 3hrzC1 PRO 1431 HA -0.05 0.05 0.59 -0.51 4.44 4.51 3hrzC1 PRO 1431 HB2 0.05 0.01 0.06 -0.04 2.28 2.36 3hrzC1 PRO 1431 HB3 0.02 0.01 0.14 -0.04 2.02 2.15 3hrzC1 PRO 1431 HG2 -0.08 0.04 0.04 -0.04 2.03 1.99 3hrzC1 PRO 1431 HG3 -0.09 -0.07 -0.05 -0.04 2.03 1.77 3hrzC1 PRO 1431 HD2 0.05 0.04 0.22 -0.04 3.68 3.95 3hrzC1 PRO 1431 HD3 0.03 0.14 0.25 -0.04 3.65 4.04 3hrzC1 GLY 1432 H -0.75 0.27 0.31 -0.55 8.43 7.71 3hrzC1 GLY 1432 HA2 -0.14 0.19 0.64 -0.51 4.01 4.20 3hrzC1 GLY 1432 HA3 -0.63 0.07 0.25 -0.51 4.01 3.19 3hrzC1 SER 1433 H 0.03 0.27 0.27 -0.55 8.46 8.49 3hrzC1 SER 1433 HA -0.08 0.23 0.92 -0.75 4.49 4.81 3hrzC1 SER 1433 HB2 -0.61 0.05 -0.01 -0.04 3.95 3.34 3hrzC1 SER 1433 HB3 -0.31 0.02 -0.23 -0.04 3.93 3.37 3hrzC1 VAL 1434 H -0.12 0.74 0.39 -0.55 8.24 8.70 3hrzC1 VAL 1434 HA -0.01 0.28 0.98 -0.75 4.13 4.62 3hrzC1 VAL 1434 HB -0.03 -0.03 0.05 -0.04 2.12 2.07 3hrzC1 VAL 1434 HG13 -0.06 -0.01 -0.22 -0.04 0.97 0.64 3hrzC1 VAL 1434 HG23 -0.02 -0.02 -0.24 -0.04 0.95 0.63 3hrzC1 LYS 1435 H -0.04 0.62 0.38 -0.55 8.42 8.82 3hrzC1 LYS 1435 HA -0.03 0.39 1.17 -0.75 4.32 5.10 3hrzC1 LYS 1435 HB2 0.11 -0.10 0.08 -0.04 1.87 1.93 3hrzC1 LYS 1435 HB3 0.19 0.05 0.02 -0.04 1.79 2.01 3hrzC1 LYS 1435 HG2 -0.02 0.04 -0.09 -0.04 1.46 1.35 3hrzC1 LYS 1435 HG3 -0.01 -0.03 -0.18 -0.04 1.46 1.19 3hrzC1 LYS 1435 HD2 0.13 -0.04 -0.08 -0.04 1.69 1.65 3hrzC1 LYS 1435 HD3 0.05 0.04 -0.07 -0.04 1.68 1.65 3hrzC1 LYS 1435 HE2 0.01 -0.00 -0.08 -0.04 2.99 2.87 3hrzC1 LYS 1435 HE3 -0.01 0.00 -0.11 -0.04 2.99 2.83 3hrzC1 VAL 1436 H -0.04 0.59 0.31 -0.55 8.24 8.54 3hrzC1 VAL 1436 HA -0.41 0.40 1.07 -0.75 4.13 4.45 3hrzC1 VAL 1436 HB -0.27 -0.05 0.03 -0.04 2.12 1.79 3hrzC1 VAL 1436 HG13 -0.97 -0.01 -0.16 -0.04 0.97 -0.22 3hrzC1 VAL 1436 HG23 -0.15 -0.01 -0.21 -0.04 0.95 0.54 3hrzC1 TYR 1437 H -0.75 0.58 0.35 -0.55 8.29 7.93 3hrzC1 TYR 1437 HA -0.19 0.04 0.42 -0.75 4.56 4.07 3hrzC1 TYR 1437 HB2 0.01 0.03 0.20 -0.04 3.06 3.25 3hrzC1 TYR 1437 HB3 -0.03 0.20 0.13 -0.04 2.98 3.24 3hrzC1 TYR 1437 HD2 -0.04 0.02 -0.35 -0.04 7.15 6.74 3hrzC1 TYR 1437 HE2 -0.02 -0.02 -0.15 -0.04 6.85 6.62 3hrzC1 SER 1438 H 0.28 0.36 0.08 -0.55 8.46 8.63 3hrzC1 SER 1438 HA 0.10 0.25 0.84 -0.75 4.49 4.93 3hrzC1 SER 1438 HB2 0.15 0.34 -0.10 -0.04 3.95 4.31 3hrzC1 SER 1438 HB3 0.28 -0.02 -0.27 -0.04 3.93 3.88 3hrzC1 TYR 1439 H 0.20 0.70 0.29 -0.55 8.29 8.93 3hrzC1 TYR 1439 HA -0.00 0.06 0.23 -0.75 4.56 4.09 3hrzC1 TYR 1439 HB2 -0.08 0.06 0.15 -0.04 3.06 3.15 3hrzC1 TYR 1439 HB3 -0.20 0.00 0.13 -0.04 2.98 2.87 3hrzC1 TYR 1439 HD2 -0.90 -0.01 -0.08 -0.04 7.15 6.12 3hrzC1 TYR 1439 HE2 -0.36 -0.00 -0.04 -0.04 6.85 6.41 3hrzC1 TYR 1440 H 0.22 0.15 -0.08 -0.55 8.29 8.04 3hrzC1 TYR 1440 HA -0.11 0.18 0.67 -0.75 4.56 4.54 3hrzC1 TYR 1440 HB2 0.08 -0.02 0.05 -0.04 3.06 3.13 3hrzC1 TYR 1440 HB3 0.05 0.02 0.16 -0.04 2.98 3.17 3hrzC1 TYR 1440 HD2 0.10 0.01 0.05 -0.04 7.15 7.27 3hrzC1 TYR 1440 HE2 0.13 0.01 -0.00 -0.04 6.85 6.94 3hrzC1 ASN 1441 H 0.13 0.41 -0.64 -0.55 8.53 7.89 3hrzC1 ASN 1441 HA 0.11 0.17 0.77 -0.75 4.76 5.06 3hrzC1 ASN 1441 HB2 0.32 -0.05 0.14 -0.04 2.88 3.25 3hrzC1 ASN 1441 HB3 0.23 -0.07 0.22 -0.04 2.79 3.13 3hrzC1 ASN 1441 HD21 0.23 0.03 -0.10 -0.04 7.03 7.15 3hrzC1 ASN 1441 HD22 0.22 -0.03 -0.11 -0.04 7.74 7.78 3hrzC1 LEU 1442 H -0.02 0.27 -0.06 -0.55 8.37 8.01 3hrzC1 LEU 1442 HA 0.01 0.11 0.58 -0.75 4.35 4.29 3hrzC1 LEU 1442 HB2 -0.09 -0.02 0.02 -0.04 1.64 1.52 3hrzC1 LEU 1442 HB3 -0.11 0.01 0.12 -0.04 1.64 1.62 3hrzC1 LEU 1442 HG -0.13 0.22 0.09 -0.04 1.64 1.78 3hrzC1 LEU 1442 HD13 -0.15 -0.02 0.02 -0.04 0.93 0.74 3hrzC1 LEU 1442 HD23 0.10 -0.02 -0.14 -0.04 0.89 0.79 3hrzC1 ASP 1443 H 0.03 -0.08 -0.57 -0.55 8.40 7.24 3hrzC1 ASP 1443 HA -0.01 0.13 0.53 -0.75 4.63 4.52 3hrzC1 ASP 1443 HB2 0.05 -0.08 0.03 -0.04 2.71 2.67 3hrzC1 ASP 1443 HB3 0.04 0.00 -0.15 -0.04 2.70 2.55 3hrzC1 GLU 1444 H 0.10 0.22 -0.21 -0.55 8.60 8.16 3hrzC1 GLU 1444 HA 0.10 -0.09 0.24 -0.75 4.29 3.79 3hrzC1 GLU 1444 HB2 0.26 -0.08 0.16 -0.04 2.09 2.39 3hrzC1 GLU 1444 HB3 0.23 0.11 0.26 -0.04 1.99 2.55 3hrzC1 GLU 1444 HG2 0.35 0.12 0.01 -0.04 2.34 2.77 3hrzC1 GLU 1444 HG3 0.17 0.02 -0.41 -0.04 2.34 2.08 3hrzC1 LYS 1445 H 0.06 0.08 0.14 -0.55 8.42 8.15 3hrzC1 LYS 1445 HA 0.03 0.18 0.83 -0.75 4.32 4.61 3hrzC1 LYS 1445 HB2 0.05 -0.04 0.24 -0.04 1.87 2.07 3hrzC1 LYS 1445 HB3 0.03 0.03 0.09 -0.04 1.79 1.90 3hrzC1 LYS 1445 HG2 0.02 0.15 0.03 -0.04 1.46 1.62 3hrzC1 LYS 1445 HG3 0.03 -0.04 0.08 -0.04 1.46 1.48 3hrzC1 LYS 1445 HD2 0.02 -0.02 0.02 -0.04 1.69 1.66 3hrzC1 LYS 1445 HD3 -0.00 0.04 -0.02 -0.04 1.68 1.66 3hrzC1 LYS 1445 HE2 -0.00 -0.03 -0.01 -0.04 2.99 2.91 3hrzC1 LYS 1445 HE3 -0.01 0.07 -0.00 -0.04 2.99 3.01 3hrzC1 CYS 1446 H 0.08 0.35 -0.09 -0.55 8.50 8.30 3hrzC1 CYS 1446 HA 0.07 0.29 0.88 -0.75 4.58 5.07 3hrzC1 CYS 1446 HB2 0.16 -0.20 -0.08 -0.04 2.97 2.81 3hrzC1 CYS 1446 HB3 0.06 0.13 0.21 -0.04 2.97 3.33 3hrzC1 THR 1447 H 0.02 0.39 0.16 -0.55 8.28 8.30 3hrzC1 THR 1447 HA -0.07 0.38 1.15 -0.75 4.39 5.09 3hrzC1 THR 1447 HB -0.04 -0.06 -0.23 -0.04 4.32 3.95 3hrzC1 THR 1447 HG23 -0.01 -0.00 -0.05 -0.04 1.22 1.11 3hrzC1 LYS 1448 H -0.13 0.58 0.38 -0.55 8.42 8.70 3hrzC1 LYS 1448 HA -0.00 0.17 0.80 -0.75 4.32 4.54 3hrzC1 LYS 1448 HB2 0.00 -0.08 0.01 -0.04 1.87 1.75 3hrzC1 LYS 1448 HB3 0.05 0.11 0.11 -0.04 1.79 2.02 3hrzC1 LYS 1448 HG2 0.02 -0.09 -0.29 -0.04 1.46 1.05 3hrzC1 LYS 1448 HG3 0.03 0.01 -0.07 -0.04 1.46 1.38 3hrzC1 LYS 1448 HD2 0.06 -0.03 0.14 -0.04 1.69 1.82 3hrzC1 LYS 1448 HD3 0.06 0.16 0.24 -0.04 1.68 2.10 3hrzC1 LYS 1448 HE2 0.05 -0.03 0.04 -0.04 2.99 3.01 3hrzC1 LYS 1448 HE3 0.04 0.13 0.12 -0.04 2.99 3.24 3hrzC1 PHE 1449 H 0.26 0.20 0.17 -0.55 8.34 8.43 3hrzC1 PHE 1449 HA 0.05 0.22 1.05 -0.75 4.62 5.19 3hrzC1 PHE 1449 HB2 0.02 0.08 0.09 -0.04 3.15 3.29 3hrzC1 PHE 1449 HB3 -0.03 0.08 0.16 -0.04 3.06 3.23 3hrzC1 PHE 1449 HD2 -0.01 0.09 -0.09 -0.04 7.28 7.23 3hrzC1 PHE 1449 HE2 0.01 -0.00 -0.10 -0.04 7.38 7.25 3hrzC1 PHE 1449 HZ 0.02 -0.03 -0.08 -0.04 7.32 7.18 3hrzC1 TYR 1450 H -0.09 0.57 0.23 -0.55 8.29 8.45 3hrzC1 TYR 1450 HA 0.06 0.18 0.55 -0.75 4.56 4.60 3hrzC1 TYR 1450 HB2 -0.03 -0.06 -0.11 -0.04 3.06 2.81 3hrzC1 TYR 1450 HB3 -0.01 0.10 -0.36 -0.04 2.98 2.67 3hrzC1 TYR 1450 HD2 -0.08 0.01 -0.36 -0.04 7.15 6.67 3hrzC1 TYR 1450 HE2 -0.13 0.05 -0.14 -0.04 6.85 6.60 3hrzC1 HIS 1451 H 0.16 0.40 0.14 -0.55 8.41 8.56 3hrzC1 HIS 1451 HA -0.14 0.14 0.54 -0.75 4.63 4.42 3hrzC1 HIS 1451 HB2 -0.09 0.16 -0.12 -0.04 3.26 3.17 3hrzC1 HIS 1451 HB3 -0.02 -0.12 0.04 -0.04 3.20 3.06 3hrzC1 HIS 1451 HD2 -0.23 0.04 -0.21 -0.04 6.97 6.53 3hrzC1 HIS 1451 HE1 -0.03 0.04 0.00 -0.04 7.75 7.71 3hrzC1 PRO 1452 HA -0.07 0.15 0.37 -0.51 4.44 4.37 3hrzC1 PRO 1452 HB2 -0.14 0.06 -0.03 -0.04 2.28 2.13 3hrzC1 PRO 1452 HB3 -0.19 0.03 0.03 -0.04 2.02 1.85 3hrzC1 PRO 1452 HG2 -0.63 0.02 0.05 -0.04 2.03 1.43 3hrzC1 PRO 1452 HG3 -0.43 0.09 0.02 -0.04 2.03 1.67 3hrzC1 PRO 1452 HD2 -1.22 0.14 0.19 -0.04 3.68 2.75 3hrzC1 PRO 1452 HD3 -0.42 0.13 0.07 -0.04 3.65 3.40 3hrzC1 ASP 1453 H 0.42 0.04 -0.34 -0.55 8.40 7.97 3hrzC1 ASP 1453 HA 0.08 0.26 0.91 -0.75 4.63 5.13 3hrzC1 ASP 1453 HB2 0.30 -0.00 0.00 -0.04 2.71 2.98 3hrzC1 ASP 1453 HB3 0.12 0.00 0.16 -0.04 2.70 2.94 3hrzC1 LYS 1454 H 0.21 0.40 -0.17 -0.55 8.42 8.30 3hrzC1 LYS 1454 HA 0.04 0.19 0.96 -0.75 4.32 4.76 3hrzC1 LYS 1454 HB2 0.04 -0.13 0.07 -0.04 1.87 1.80 3hrzC1 LYS 1454 HB3 -0.00 -0.02 0.05 -0.04 1.79 1.77 3hrzC1 LYS 1454 HG2 -0.06 0.10 -0.12 -0.04 1.46 1.34 3hrzC1 LYS 1454 HG3 -0.07 -0.16 -0.49 -0.04 1.46 0.70 3hrzC1 LYS 1454 HD2 -0.44 -0.06 -0.18 -0.04 1.69 0.96 3hrzC1 LYS 1454 HD3 -0.14 0.25 -0.26 -0.04 1.68 1.50 3hrzC1 LYS 1454 HE2 -0.44 -0.03 -0.07 -0.04 2.99 2.41 3hrzC1 LYS 1454 HE3 -0.18 0.01 -0.12 -0.04 2.99 2.66 3hrzC1 GLY 1455 H 0.03 0.18 0.15 -0.55 8.43 8.25 3hrzC1 GLY 1455 HA2 0.04 0.11 0.33 -0.51 4.01 3.98 3hrzC1 GLY 1455 HA3 0.03 0.03 0.37 -0.51 4.01 3.93 3hrzC1 THR 1456 H 0.04 -0.09 -0.31 -0.55 8.28 7.37 3hrzC1 THR 1456 HA 0.08 0.37 1.00 -0.75 4.39 5.08 3hrzC1 THR 1456 HB 0.07 0.05 0.20 -0.04 4.32 4.59 3hrzC1 THR 1456 HG23 0.04 0.00 -0.11 -0.04 1.22 1.10 3hrzC1 GLY 1457 H 0.07 0.20 -0.20 -0.55 8.43 7.95 3hrzC1 GLY 1457 HA2 0.07 -0.02 0.04 -0.51 4.01 3.59 3hrzC1 GLY 1457 HA3 0.14 0.06 -0.07 -0.51 4.01 3.63 3hrzC1 LEU 1458 H -0.02 -0.07 -0.35 -0.55 8.37 7.39 3hrzC1 LEU 1458 HA -0.19 0.14 0.61 -0.75 4.35 4.16 3hrzC1 LEU 1458 HB2 -0.04 -0.11 0.00 -0.04 1.64 1.46 3hrzC1 LEU 1458 HB3 -0.07 0.11 -0.03 -0.04 1.64 1.61 3hrzC1 LEU 1458 HG 0.00 0.06 -0.17 -0.04 1.64 1.49 3hrzC1 LEU 1458 HD13 -0.00 -0.01 -0.02 -0.04 0.93 0.86 3hrzC1 LEU 1458 HD23 -0.10 0.02 -0.05 -0.04 0.89 0.71 3hrzC1 LEU 1459 H -0.15 0.14 0.14 -0.55 8.37 7.95 3hrzC1 LEU 1459 HA -0.07 0.05 0.51 -0.75 4.35 4.09 3hrzC1 LEU 1459 HB2 -0.09 -0.00 0.03 -0.04 1.64 1.54 3hrzC1 LEU 1459 HB3 -0.09 -0.02 -0.00 -0.04 1.64 1.49 3hrzC1 LEU 1459 HG -0.11 0.05 0.08 -0.04 1.64 1.63 3hrzC1 LEU 1459 HD13 -0.05 -0.00 0.00 -0.04 0.93 0.84 3hrzC1 LEU 1459 HD23 0.06 -0.00 0.01 -0.04 0.89 0.91 3hrzC1 ASN 1460 H -0.09 0.09 0.09 -0.55 8.53 8.08 3hrzC1 ASN 1460 HA -0.05 0.10 0.51 -0.75 4.76 4.57 3hrzC1 ASN 1460 HB2 -0.07 0.09 0.10 -0.04 2.88 2.96 3hrzC1 ASN 1460 HB3 -0.04 0.01 0.03 -0.04 2.79 2.75 3hrzC1 ASN 1460 HD21 -0.03 -0.01 0.01 -0.04 7.03 6.96 3hrzC1 ASN 1460 HD22 -0.04 0.06 -0.09 -0.04 7.74 7.63 3hrzC1 LYS 1461 H -0.03 0.28 0.28 -0.55 8.42 8.39 3hrzC1 LYS 1461 HA -0.03 0.03 0.85 -0.75 4.32 4.42 3hrzC1 LYS 1461 HB2 -0.02 0.03 -0.02 -0.04 1.87 1.81 3hrzC1 LYS 1461 HB3 -0.04 -0.03 -0.15 -0.04 1.79 1.53 3hrzC1 LYS 1461 HG2 -0.04 0.06 -0.01 -0.04 1.46 1.43 3hrzC1 LYS 1461 HG3 -0.02 -0.03 -0.24 -0.04 1.46 1.13 3hrzC1 LYS 1461 HD2 -0.02 -0.03 -0.16 -0.04 1.69 1.44 3hrzC1 LYS 1461 HD3 -0.04 -0.01 -0.14 -0.04 1.68 1.45 3hrzC1 LYS 1461 HE2 -0.02 -0.01 -0.09 -0.04 2.99 2.83 3hrzC1 LYS 1461 HE3 -0.03 0.01 -0.07 -0.04 2.99 2.86 3hrzC1 ILE 1462 H -0.01 0.61 0.24 -0.55 8.25 8.54 3hrzC1 ILE 1462 HA -0.01 0.17 0.91 -0.75 4.18 4.49 3hrzC1 ILE 1462 HB 0.00 0.01 0.04 -0.04 1.89 1.89 3hrzC1 ILE 1462 HG12 -0.00 0.07 -0.15 -0.04 1.49 1.37 3hrzC1 ILE 1462 HG13 -0.00 -0.10 -0.56 -0.04 1.21 0.50 3hrzC1 ILE 1462 HG23 -0.00 0.00 -0.22 -0.04 0.93 0.67 3hrzC1 ILE 1462 HD13 0.02 -0.02 -0.22 -0.04 0.88 0.62 3hrzC1 CYS 1463 H -0.01 0.21 0.07 -0.55 8.50 8.22 3hrzC1 CYS 1463 HA -0.01 0.32 1.02 -0.75 4.58 5.16 3hrzC1 CYS 1463 HB2 -0.01 -0.03 -0.01 -0.04 2.97 2.88 3hrzC1 CYS 1463 HB3 -0.01 0.15 -0.31 -0.04 2.97 2.77 3hrzC1 ILE 1464 H -0.01 0.69 0.12 -0.55 8.25 8.50 3hrzC1 ILE 1464 HA -0.02 0.11 0.77 -0.75 4.18 4.29 3hrzC1 ILE 1464 HB -0.02 0.04 0.12 -0.04 1.89 1.99 3hrzC1 ILE 1464 HG12 -0.03 -0.06 -0.19 -0.04 1.49 1.17 3hrzC1 ILE 1464 HG13 -0.02 0.05 -0.15 -0.04 1.21 1.05 3hrzC1 ILE 1464 HG23 -0.02 -0.01 -0.22 -0.04 0.93 0.64 3hrzC1 ILE 1464 HD13 -0.02 -0.02 -0.27 -0.04 0.88 0.52 3hrzC1 GLY 1465 H -0.01 0.18 -0.04 -0.55 8.43 8.01 3hrzC1 GLY 1465 HA2 -0.00 0.04 0.30 -0.51 4.01 3.84 3hrzC1 GLY 1465 HA3 -0.01 0.03 0.59 -0.51 4.01 4.11 3hrzC1 ASN 1466 H -0.00 0.15 0.21 -0.55 8.53 8.34 3hrzC1 ASN 1466 HA 0.00 0.19 0.69 -0.75 4.76 4.89 3hrzC1 ASN 1466 HB2 0.00 0.00 0.07 -0.04 2.88 2.91 3hrzC1 ASN 1466 HB3 0.00 0.01 0.10 -0.04 2.79 2.87 3hrzC1 ASN 1466 HD21 0.01 -0.00 -0.03 -0.04 7.03 6.97 3hrzC1 ASN 1466 HD22 0.01 0.01 -0.00 -0.04 7.74 7.72 3hrzC1 VAL 1467 H -0.01 0.42 -0.06 -0.55 8.24 8.05 3hrzC1 VAL 1467 HA -0.00 0.14 0.90 -0.75 4.13 4.42 3hrzC1 VAL 1467 HB -0.01 0.01 0.20 -0.04 2.12 2.28 3hrzC1 VAL 1467 HG13 -0.01 0.01 -0.06 -0.04 0.97 0.88 3hrzC1 VAL 1467 HG23 -0.00 -0.01 0.04 -0.04 0.95 0.93 3hrzC1 CYS 1468 H -0.00 0.20 0.13 -0.55 8.50 8.28 3hrzC1 CYS 1468 HA -0.01 0.25 0.87 -0.75 4.58 4.94 3hrzC1 CYS 1468 HB2 -0.01 -0.00 -0.02 -0.04 2.97 2.90 3hrzC1 CYS 1468 HB3 -0.01 -0.02 -0.17 -0.04 2.97 2.72 3hrzC1 ARG 1469 H -0.01 0.46 0.24 -0.55 8.46 8.60 3hrzC1 ARG 1469 HA -0.00 0.16 0.92 -0.75 4.34 4.66 3hrzC1 ARG 1469 HB2 0.00 -0.02 0.06 -0.04 1.90 1.90 3hrzC1 ARG 1469 HB3 0.01 0.08 -0.05 -0.04 1.80 1.79 3hrzC1 ARG 1469 HG2 -0.00 -0.03 -0.37 -0.04 1.67 1.23 3hrzC1 ARG 1469 HG3 0.01 0.01 -0.08 -0.04 1.67 1.57 3hrzC1 ARG 1469 HD2 0.02 0.00 0.01 -0.04 3.22 3.21 3hrzC1 ARG 1469 HD3 0.01 -0.01 0.08 -0.04 3.22 3.26 3hrzC1 CYS 1470 H -0.01 0.15 0.12 -0.55 8.50 8.22 3hrzC1 CYS 1470 HA -0.03 0.11 0.66 -0.75 4.58 4.56 3hrzC1 CYS 1470 HB2 -0.02 0.03 0.14 -0.04 2.97 3.07 3hrzC1 CYS 1470 HB3 -0.02 0.00 0.12 -0.04 2.97 3.03 3hrzC1 ALA 1471 H -0.04 0.64 0.38 -0.55 8.40 8.83 3hrzC1 ALA 1471 HA -0.00 0.14 0.58 -0.75 4.34 4.30 3hrzC1 ALA 1471 HB3 -0.02 -0.03 -0.14 -0.04 1.41 1.18 3hrzC1 GLY 1472 H -0.07 0.01 -0.10 -0.55 8.43 7.72 3hrzC1 GLY 1472 HA2 -0.10 -0.06 0.37 -0.51 4.01 3.70 3hrzC1 GLY 1472 HA3 -0.06 0.18 0.61 -0.51 4.01 4.23 3hrzC1 GLU 1473 H -0.21 0.09 0.17 -0.55 8.60 8.10 3hrzC1 GLU 1473 HA -0.17 0.17 0.77 -0.75 4.29 4.30 3hrzC1 GLU 1473 HB2 -0.67 -0.01 0.05 -0.04 2.09 1.42 3hrzC1 GLU 1473 HB3 -0.59 0.04 0.11 -0.04 1.99 1.51 3hrzC1 GLU 1473 HG2 -0.52 -0.07 -0.03 -0.04 2.34 1.68 3hrzC1 GLU 1473 HG3 -1.74 0.04 -0.01 -0.04 2.34 0.60 3hrzC1 THR 1474 H -0.10 -0.05 0.02 -0.55 8.28 7.59 3hrzC1 THR 1474 HA -0.02 0.17 0.77 -0.75 4.39 4.56 3hrzC1 THR 1474 HB -0.02 0.05 0.05 -0.04 4.32 4.36 3hrzC1 THR 1474 HG23 -0.07 -0.03 0.05 -0.04 1.22 1.13 3hrzC1 CYS 1475 H -0.01 0.15 0.10 -0.55 8.50 8.20 3hrzC1 CYS 1475 HA -0.02 0.15 0.84 -0.75 4.58 4.81 3hrzC1 CYS 1475 HB2 -0.01 -0.03 0.07 -0.04 2.97 2.96 3hrzC1 CYS 1475 HB3 -0.02 0.17 -0.05 -0.04 2.97 3.03 3hrzC1 SER 1476 H -0.03 0.11 0.08 -0.55 8.46 8.08 3hrzC1 SER 1476 HA -0.06 0.10 0.61 -0.75 4.49 4.39 3hrzC1 SER 1476 HB2 -0.04 -0.05 -0.13 -0.04 3.95 3.69 3hrzC1 SER 1476 HB3 -0.07 -0.04 -0.11 -0.04 3.93 3.67 3hrzC1 SER 1477 H -0.13 0.23 0.12 -0.55 8.46 8.13 3hrzC1 SER 1477 HA -0.10 0.18 0.67 -0.75 4.49 4.48 3hrzC1 SER 1477 HB2 -0.08 0.16 0.06 -0.04 3.95 4.04 3hrzC1 SER 1477 HB3 -0.07 -0.05 -0.18 -0.04 3.93 3.59 3hrzC1 LEU 1478 H -0.13 0.31 0.19 -0.55 8.37 8.20 3hrzC1 LEU 1478 HA -0.22 0.00 0.51 -0.75 4.35 3.89 3hrzC1 LEU 1478 HB2 -0.12 0.27 0.17 -0.04 1.64 1.92 3hrzC1 LEU 1478 HB3 -0.07 -0.02 0.08 -0.04 1.64 1.59 3hrzC1 LEU 1478 HG 0.04 0.08 -0.05 -0.04 1.64 1.67 3hrzC1 LEU 1478 HD13 0.04 -0.03 -0.26 -0.04 0.93 0.64 3hrzC1 LEU 1478 HD23 -0.01 -0.02 -0.08 -0.04 0.89 0.74 3hrzC1 ASN 1479 H -0.37 0.71 0.48 -0.55 8.53 8.80 3hrzC1 ASN 1479 HA -0.28 0.08 0.72 -0.75 4.76 4.52 3hrzC1 ASN 1479 HB2 -0.82 0.07 0.17 -0.04 2.88 2.25 3hrzC1 ASN 1479 HB3 -0.55 -0.07 -0.01 -0.04 2.79 2.12 3hrzC1 ASN 1479 HD21 -0.55 -0.02 0.04 -0.04 7.03 6.46 3hrzC1 ASN 1479 HD22 -0.41 -0.02 0.09 -0.04 7.74 7.36 3hrzC1 HIS 1480 H -0.04 0.22 0.23 -0.55 8.41 8.28 3hrzC1 HIS 1480 HA -0.02 0.18 0.94 -0.75 4.63 4.98 3hrzC1 HIS 1480 HB2 -0.03 0.08 -0.11 -0.04 3.26 3.16 3hrzC1 HIS 1480 HB3 -0.04 -0.01 0.05 -0.04 3.20 3.16 3hrzC1 HIS 1480 HD2 0.04 0.03 0.03 -0.04 6.97 7.02 3hrzC1 HIS 1480 HE1 -0.03 -0.05 -0.12 -0.04 7.75 7.50 3hrzC1 GLN 1481 H -0.71 0.37 0.11 -0.55 8.47 7.69 3hrzC1 GLN 1481 HA -0.12 0.09 0.77 -0.75 4.36 4.35 3hrzC1 GLN 1481 HB2 -0.08 -0.02 -0.31 -0.04 2.15 1.70 3hrzC1 GLN 1481 HB3 -0.15 -0.01 -0.18 -0.04 2.02 1.64 3hrzC1 GLN 1481 HG2 -0.06 0.10 0.11 -0.04 2.40 2.52 3hrzC1 GLN 1481 HG3 -0.01 0.06 0.05 -0.04 2.39 2.44 3hrzC1 GLN 1481 HE21 0.05 -0.05 0.03 -0.04 6.97 6.96 3hrzC1 GLN 1481 HE22 0.02 0.01 0.06 -0.04 7.69 7.74 3hrzC1 GLU 1482 H -0.10 0.14 0.16 -0.55 8.60 8.26 3hrzC1 GLU 1482 HA -0.16 0.17 0.67 -0.75 4.29 4.21 3hrzC1 GLU 1482 HB2 -0.04 0.03 0.11 -0.04 2.09 2.14 3hrzC1 GLU 1482 HB3 0.01 0.02 0.09 -0.04 1.99 2.06 3hrzC1 GLU 1482 HG2 -0.02 -0.03 0.13 -0.04 2.34 2.38 3hrzC1 GLU 1482 HG3 -0.04 0.00 -0.04 -0.04 2.34 2.22 3hrzC1 ARG 1483 H -0.09 0.16 0.03 -0.55 8.46 8.01 3hrzC1 ARG 1483 HA -0.09 0.15 0.51 -0.75 4.34 4.15 3hrzC1 ARG 1483 HB2 -0.05 -0.04 -0.05 -0.04 1.90 1.72 3hrzC1 ARG 1483 HB3 -0.06 0.03 -0.05 -0.04 1.80 1.68 3hrzC1 ARG 1483 HG2 -0.05 -0.03 -0.42 -0.04 1.67 1.13 3hrzC1 ARG 1483 HG3 -0.03 -0.00 -0.08 -0.04 1.67 1.51 3hrzC1 ARG 1483 HD2 -0.04 0.19 0.08 -0.04 3.22 3.41 3hrzC1 ARG 1483 HD3 -0.03 -0.03 -0.04 -0.04 3.22 3.08 3hrzC1 ILE 1484 H -0.15 0.20 0.06 -0.55 8.25 7.80 3hrzC1 ILE 1484 HA -0.13 0.17 0.86 -0.75 4.18 4.34 3hrzC1 ILE 1484 HB -0.29 -0.03 0.03 -0.04 1.89 1.57 3hrzC1 ILE 1484 HG12 -0.34 0.05 -0.18 -0.04 1.49 0.98 3hrzC1 ILE 1484 HG13 -0.40 -0.05 -0.20 -0.04 1.21 0.51 3hrzC1 ILE 1484 HG23 -0.25 -0.00 -0.32 -0.04 0.93 0.31 3hrzC1 ILE 1484 HD13 -1.27 0.02 -0.13 -0.04 0.88 -0.54 3hrzC1 ASP 1485 H -0.05 0.22 0.06 -0.55 8.40 8.08 3hrzC1 ASP 1485 HA -0.04 0.10 0.67 -0.75 4.63 4.61 3hrzC1 ASP 1485 HB2 -0.02 0.08 0.12 -0.04 2.71 2.84 3hrzC1 ASP 1485 HB3 -0.02 -0.01 0.21 -0.04 2.70 2.83 3hrzC1 VAL 1486 H -0.03 0.24 0.14 -0.55 8.24 8.04 3hrzC1 VAL 1486 HA 0.02 0.03 0.01 -0.75 4.13 3.44 3hrzC1 VAL 1486 HB 0.01 0.02 0.08 -0.04 2.12 2.19 3hrzC1 VAL 1486 HG13 0.10 0.01 -0.19 -0.04 0.97 0.84 3hrzC1 VAL 1486 HG23 -0.01 0.05 0.06 -0.04 0.95 1.01 3hrzC1 PRO 1487 HA -0.03 0.16 0.48 -0.51 4.44 4.53 3hrzC1 PRO 1487 HB2 -0.03 -0.00 -0.01 -0.04 2.28 2.20 3hrzC1 PRO 1487 HB3 -0.04 0.10 0.05 -0.04 2.02 2.09 3hrzC1 PRO 1487 HG2 -0.02 0.06 0.04 -0.04 2.03 2.06 3hrzC1 PRO 1487 HG3 -0.03 0.11 0.04 -0.04 2.03 2.11 3hrzC1 PRO 1487 HD2 -0.02 -0.01 -0.04 -0.04 3.68 3.57 3hrzC1 PRO 1487 HD3 -0.01 0.12 0.14 -0.04 3.65 3.86 3hrzC1 LEU 1488 H -0.02 0.12 -0.32 -0.55 8.37 7.60 3hrzC1 LEU 1488 HA -0.04 0.07 0.39 -0.75 4.35 4.02 3hrzC1 LEU 1488 HB2 -0.02 -0.02 0.06 -0.04 1.64 1.62 3hrzC1 LEU 1488 HB3 -0.02 0.11 0.12 -0.04 1.64 1.81 3hrzC1 LEU 1488 HG -0.00 0.03 -0.27 -0.04 1.64 1.35 3hrzC1 LEU 1488 HD13 -0.01 -0.00 0.01 -0.04 0.93 0.89 3hrzC1 LEU 1488 HD23 0.02 -0.00 -0.01 -0.04 0.89 0.85 3hrzC1 GLN 1489 H -0.03 0.63 -0.01 -0.55 8.47 8.51 3hrzC1 GLN 1489 HA -0.11 0.01 0.41 -0.75 4.36 3.92 3hrzC1 GLN 1489 HB2 -0.10 -0.01 -0.02 -0.04 2.15 1.98 3hrzC1 GLN 1489 HB3 0.08 0.11 -0.02 -0.04 2.02 2.15 3hrzC1 GLN 1489 HG2 -0.76 0.01 -0.13 -0.04 2.40 1.47 3hrzC1 GLN 1489 HG3 -0.15 -0.00 -0.08 -0.04 2.39 2.12 3hrzC1 GLN 1489 HE21 -0.10 0.01 -0.11 -0.04 6.97 6.73 3hrzC1 GLN 1489 HE22 -0.61 0.02 -0.11 -0.04 7.69 6.95 3hrzC1 ILE 1490 H 0.02 0.46 -0.40 -0.55 8.25 7.79 3hrzC1 ILE 1490 HA -0.07 0.03 0.35 -0.75 4.18 3.75 3hrzC1 ILE 1490 HB -0.07 0.12 0.18 -0.04 1.89 2.09 3hrzC1 ILE 1490 HG12 0.04 0.22 0.07 -0.04 1.49 1.78 3hrzC1 ILE 1490 HG13 -0.07 -0.06 -0.04 -0.04 1.21 0.99 3hrzC1 ILE 1490 HG23 -0.14 -0.00 -0.14 -0.04 0.93 0.60 3hrzC1 ILE 1490 HD13 -0.39 0.01 -0.02 -0.04 0.88 0.43 3hrzC1 GLU 1491 H -0.09 0.47 -0.07 -0.55 8.60 8.37 3hrzC1 GLU 1491 HA -0.13 0.04 0.36 -0.75 4.29 3.80 3hrzC1 GLU 1491 HB2 -0.08 0.11 0.15 -0.04 2.09 2.23 3hrzC1 GLU 1491 HB3 -0.08 -0.06 -0.03 -0.04 1.99 1.78 3hrzC1 GLU 1491 HG2 -0.07 -0.03 0.02 -0.04 2.34 2.23 3hrzC1 GLU 1491 HG3 -0.06 0.23 0.08 -0.04 2.34 2.54 3hrzC1 LYS 1492 H -0.18 0.48 -0.23 -0.55 8.42 7.94 3hrzC1 LYS 1492 HA -0.17 -0.01 0.43 -0.75 4.32 3.82 3hrzC1 LYS 1492 HB2 -0.29 0.11 0.13 -0.04 1.87 1.78 3hrzC1 LYS 1492 HB3 -0.12 -0.03 -0.03 -0.04 1.79 1.57 3hrzC1 LYS 1492 HG2 0.03 -0.04 0.01 -0.04 1.46 1.41 3hrzC1 LYS 1492 HG3 -0.05 0.06 0.00 -0.04 1.46 1.43 3hrzC1 LYS 1492 HD2 -0.10 -0.02 -0.06 -0.04 1.69 1.47 3hrzC1 LYS 1492 HD3 0.09 0.01 -0.04 -0.04 1.68 1.70 3hrzC1 LYS 1492 HE2 0.17 -0.00 -0.04 -0.04 2.99 3.08 3hrzC1 LYS 1492 HE3 0.06 -0.02 -0.08 -0.04 2.99 2.91 3hrzC1 ALA 1493 H -0.60 0.52 -0.19 -0.55 8.40 7.58 3hrzC1 ALA 1493 HA -1.79 -0.02 0.38 -0.75 4.34 2.16 3hrzC1 ALA 1493 HB3 -0.57 0.00 0.05 -0.04 1.41 0.85 3hrzC1 CYS 1494 H -0.34 0.23 -0.71 -0.55 8.50 7.13 3hrzC1 CYS 1494 HA -0.23 0.24 0.75 -0.75 4.58 4.59 3hrzC1 CYS 1494 HB2 -0.17 0.02 0.08 -0.04 2.97 2.86 3hrzC1 CYS 1494 HB3 -0.14 -0.11 0.17 -0.04 2.97 2.86 3hrzC1 GLU 1495 H -0.27 0.29 -0.29 -0.55 8.60 7.79 3hrzC1 GLU 1495 HA -0.10 0.01 0.62 -0.75 4.29 4.08 3hrzC1 GLU 1495 HB2 -0.14 0.23 0.17 -0.04 2.09 2.30 3hrzC1 GLU 1495 HB3 -0.11 -0.12 -0.02 -0.04 1.99 1.70 3hrzC1 GLU 1495 HG2 -0.03 -0.00 0.03 -0.04 2.34 2.29 3hrzC1 GLU 1495 HG3 -0.05 -0.18 0.09 -0.04 2.34 2.17 3hrzC1 THR 1496 H -0.06 0.08 0.16 -0.55 8.28 7.92 3hrzC1 THR 1496 HA -0.06 0.22 0.25 -0.75 4.39 4.05 3hrzC1 THR 1496 HB -0.04 0.03 0.13 -0.04 4.32 4.41 3hrzC1 THR 1496 HG23 -0.02 -0.02 0.01 -0.04 1.22 1.15 3hrzC1 ASN 1497 H -0.04 -0.00 -0.29 -0.55 8.53 7.66 3hrzC1 ASN 1497 HA -0.01 0.12 0.59 -0.75 4.76 4.71 3hrzC1 ASN 1497 HB2 0.02 -0.08 0.12 -0.04 2.88 2.90 3hrzC1 ASN 1497 HB3 0.00 -0.01 0.05 -0.04 2.79 2.79 3hrzC1 ASN 1497 HD21 0.04 0.04 -0.05 -0.04 7.03 7.01 3hrzC1 ASN 1497 HD22 0.04 -0.06 -0.04 -0.04 7.74 7.64 3hrzC1 VAL 1498 H -0.11 0.50 -0.47 -0.55 8.24 7.61 3hrzC1 VAL 1498 HA -0.10 0.00 0.69 -0.75 4.13 3.96 3hrzC1 VAL 1498 HB -0.30 0.27 0.08 -0.04 2.12 2.13 3hrzC1 VAL 1498 HG13 -0.47 -0.05 -0.06 -0.04 0.97 0.34 3hrzC1 VAL 1498 HG23 -0.32 -0.02 -0.03 -0.04 0.95 0.53 3hrzC1 ASP 1499 H -0.12 0.42 0.38 -0.55 8.40 8.53 3hrzC1 ASP 1499 HA -0.00 0.16 0.53 -0.75 4.63 4.57 3hrzC1 ASP 1499 HB2 0.08 -0.18 0.19 -0.04 2.71 2.75 3hrzC1 ASP 1499 HB3 0.11 0.04 0.14 -0.04 2.70 2.95 3hrzC1 TYR 1500 H -0.57 0.19 0.20 -0.55 8.29 7.55 3hrzC1 TYR 1500 HA -0.08 0.44 0.74 -0.75 4.56 4.91 3hrzC1 TYR 1500 HB2 -0.58 0.04 0.04 -0.04 3.06 2.52 3hrzC1 TYR 1500 HB3 -0.08 -0.15 -0.11 -0.04 2.98 2.60 3hrzC1 TYR 1500 HD2 -0.58 -0.03 -0.26 -0.04 7.15 6.24 3hrzC1 TYR 1500 HE2 -0.25 0.04 -0.29 -0.04 6.85 6.31 3hrzC1 VAL 1501 H 0.05 0.55 0.26 -0.55 8.24 8.55 3hrzC1 VAL 1501 HA 0.19 0.21 0.90 -0.75 4.13 4.68 3hrzC1 VAL 1501 HB 0.14 -0.13 0.12 -0.04 2.12 2.21 3hrzC1 VAL 1501 HG13 0.53 -0.01 -0.15 -0.04 0.97 1.30 3hrzC1 VAL 1501 HG23 -0.03 0.02 -0.15 -0.04 0.95 0.74 3hrzC1 TYR 1502 H 0.32 0.91 0.38 -0.55 8.29 9.35 3hrzC1 TYR 1502 HA 0.18 0.16 1.27 -0.75 4.56 5.42 3hrzC1 TYR 1502 HB2 0.18 -0.02 -0.02 -0.04 3.06 3.16 3hrzC1 TYR 1502 HB3 0.06 0.05 -0.01 -0.04 2.98 3.03 3hrzC1 TYR 1502 HD2 0.06 0.04 -0.10 -0.04 7.15 7.10 3hrzC1 TYR 1502 HE2 -0.21 0.01 -0.10 -0.04 6.85 6.51 3hrzC1 LYS 1503 H 0.15 0.58 0.38 -0.55 8.42 8.98 3hrzC1 LYS 1503 HA 0.11 0.34 1.04 -0.75 4.32 5.06 3hrzC1 LYS 1503 HB2 -0.52 0.02 0.11 -0.04 1.87 1.44 3hrzC1 LYS 1503 HB3 -0.29 -0.12 0.21 -0.04 1.79 1.55 3hrzC1 LYS 1503 HG2 -0.47 0.01 -0.21 -0.04 1.46 0.75 3hrzC1 LYS 1503 HG3 -0.98 0.05 -0.01 -0.04 1.46 0.48 3hrzC1 LYS 1503 HD2 -1.84 0.01 -0.06 -0.04 1.69 -0.24 3hrzC1 LYS 1503 HD3 -0.67 -0.04 -0.09 -0.04 1.68 0.85 3hrzC1 LYS 1503 HE2 -0.73 -0.00 -0.09 -0.04 2.99 2.13 3hrzC1 LYS 1503 HE3 -2.27 0.02 -0.10 -0.04 2.99 0.60 3hrzC1 THR 1504 H 0.05 0.73 0.35 -0.55 8.28 8.86 3hrzC1 THR 1504 HA -0.04 0.17 1.22 -0.75 4.39 4.99 3hrzC1 THR 1504 HB 0.06 0.08 -0.02 -0.04 4.32 4.39 3hrzC1 THR 1504 HG23 0.11 -0.01 -0.30 -0.04 1.22 0.97 3hrzC1 LYS 1505 H -0.00 0.57 0.37 -0.55 8.42 8.81 3hrzC1 LYS 1505 HA 0.03 0.28 0.76 -0.75 4.32 4.64 3hrzC1 LYS 1505 HB2 -0.04 -0.00 0.02 -0.04 1.87 1.80 3hrzC1 LYS 1505 HB3 -0.00 -0.06 0.09 -0.04 1.79 1.78 3hrzC1 LYS 1505 HG2 0.05 -0.01 -0.35 -0.04 1.46 1.11 3hrzC1 LYS 1505 HG3 0.03 0.14 -0.22 -0.04 1.46 1.37 3hrzC1 LYS 1505 HD2 0.00 -0.05 -0.07 -0.04 1.69 1.54 3hrzC1 LYS 1505 HD3 0.02 0.00 -0.03 -0.04 1.68 1.63 3hrzC1 LYS 1505 HE2 -0.03 -0.03 -0.04 -0.04 2.99 2.85 3hrzC1 LYS 1505 HE3 -0.01 -0.04 -0.01 -0.04 2.99 2.89 3hrzC1 LEU 1506 H 0.17 0.63 0.13 -0.55 8.37 8.75 3hrzC1 LEU 1506 HA 0.12 0.15 0.78 -0.75 4.35 4.65 3hrzC1 LEU 1506 HB2 0.14 0.00 -0.08 -0.04 1.64 1.67 3hrzC1 LEU 1506 HB3 0.24 0.10 0.14 -0.04 1.64 2.08 3hrzC1 LEU 1506 HG 0.13 -0.09 -0.43 -0.04 1.64 1.21 3hrzC1 LEU 1506 HD13 0.17 0.08 -0.18 -0.04 0.93 0.96 3hrzC1 LEU 1506 HD23 0.13 0.01 -0.53 -0.04 0.89 0.46 3hrzC1 LEU 1507 H 0.09 0.62 0.39 -0.55 8.37 8.92 3hrzC1 LEU 1507 HA 0.05 0.05 0.59 -0.75 4.35 4.29 3hrzC1 LEU 1507 HB2 0.06 0.13 0.13 -0.04 1.64 1.91 3hrzC1 LEU 1507 HB3 0.04 -0.02 -0.05 -0.04 1.64 1.58 3hrzC1 LEU 1507 HG 0.03 -0.00 -0.00 -0.04 1.64 1.62 3hrzC1 LEU 1507 HD13 0.03 0.01 -0.11 -0.04 0.93 0.82 3hrzC1 LEU 1507 HD23 0.04 -0.00 -0.08 -0.04 0.89 0.80 3hrzC1 ARG 1508 H 0.08 0.32 0.23 -0.55 8.46 8.54 3hrzC1 ARG 1508 HA 0.05 0.17 0.78 -0.75 4.34 4.58 3hrzC1 ARG 1508 HB2 0.03 -0.06 -0.06 -0.04 1.90 1.78 3hrzC1 ARG 1508 HB3 0.02 0.04 -0.02 -0.04 1.80 1.80 3hrzC1 ARG 1508 HG2 0.03 0.14 -0.10 -0.04 1.67 1.69 3hrzC1 ARG 1508 HG3 0.03 -0.10 -0.42 -0.04 1.67 1.15 3hrzC1 ARG 1508 HD2 0.01 0.02 -0.05 -0.04 3.22 3.16 3hrzC1 ARG 1508 HD3 0.02 0.01 -0.07 -0.04 3.22 3.14 3hrzC1 ILE 1509 H 0.03 0.22 0.14 -0.55 8.25 8.09 3hrzC1 ILE 1509 HA -0.03 0.29 1.12 -0.75 4.18 4.81 3hrzC1 ILE 1509 HB 0.01 -0.03 0.13 -0.04 1.89 1.97 3hrzC1 ILE 1509 HG12 0.26 0.04 -0.11 -0.04 1.49 1.63 3hrzC1 ILE 1509 HG13 0.12 -0.10 -0.30 -0.04 1.21 0.89 3hrzC1 ILE 1509 HG23 -0.20 0.00 -0.17 -0.04 0.93 0.52 3hrzC1 ILE 1509 HD13 0.17 0.01 -0.11 -0.04 0.88 0.90 3hrzC1 GLU 1510 H -0.09 0.84 0.33 -0.55 8.60 9.13 3hrzC1 GLU 1510 HA -0.04 0.18 0.98 -0.75 4.29 4.66 3hrzC1 GLU 1510 HB2 -0.04 -0.00 0.07 -0.04 2.09 2.08 3hrzC1 GLU 1510 HB3 -0.03 0.06 0.07 -0.04 1.99 2.05 3hrzC1 GLU 1510 HG2 -0.01 0.03 -0.01 -0.04 2.34 2.31 3hrzC1 GLU 1510 HG3 -0.01 -0.08 -0.35 -0.04 2.34 1.86 3hrzC1 GLU 1511 H -0.04 0.21 0.23 -0.55 8.60 8.46 3hrzC1 GLU 1511 HA -0.07 0.40 1.11 -0.75 4.29 4.97 3hrzC1 GLU 1511 HB2 -0.03 -0.01 0.09 -0.04 2.09 2.09 3hrzC1 GLU 1511 HB3 -0.03 -0.08 0.03 -0.04 1.99 1.87 3hrzC1 GLU 1511 HG2 -0.07 0.06 -0.08 -0.04 2.34 2.21 3hrzC1 GLU 1511 HG3 -0.06 -0.01 -0.28 -0.04 2.34 1.95 3hrzC1 GLN 1512 H -0.04 0.55 0.19 -0.55 8.47 8.63 3hrzC1 GLN 1512 HA -0.02 -0.02 0.36 -0.75 4.36 3.92 3hrzC1 GLN 1512 HB2 -0.02 0.00 0.07 -0.04 2.15 2.17 3hrzC1 GLN 1512 HB3 -0.02 0.24 0.22 -0.04 2.02 2.42 3hrzC1 GLN 1512 HG2 -0.02 0.02 -0.19 -0.04 2.40 2.16 3hrzC1 GLN 1512 HG3 -0.03 -0.03 -0.17 -0.04 2.39 2.12 3hrzC1 GLN 1512 HE21 -0.02 0.07 -0.08 -0.04 6.97 6.90 3hrzC1 GLN 1512 HE22 -0.02 -0.03 -0.11 -0.04 7.69 7.48 3hrzC1 ASP 1513 H -0.01 0.17 0.15 -0.55 8.40 8.16 3hrzC1 ASP 1513 HA -0.01 0.06 0.37 -0.75 4.63 4.29 3hrzC1 ASP 1513 HB2 -0.01 0.16 0.18 -0.04 2.71 2.99 3hrzC1 ASP 1513 HB3 -0.01 0.03 0.21 -0.04 2.70 2.89 3hrzC1 GLY 1514 H -0.02 0.03 -0.13 -0.55 8.43 7.77 3hrzC1 GLY 1514 HA2 -0.01 -0.01 0.30 -0.51 4.01 3.78 3hrzC1 GLY 1514 HA3 -0.01 0.12 0.52 -0.51 4.01 4.14 3hrzC1 ASN 1515 H -0.02 0.29 -0.44 -0.55 8.53 7.81 3hrzC1 ASN 1515 HA -0.02 0.11 1.16 -0.75 4.76 5.26 3hrzC1 ASN 1515 HB2 -0.02 0.10 0.02 -0.04 2.88 2.94 3hrzC1 ASN 1515 HB3 -0.02 0.06 -0.04 -0.04 2.79 2.75 3hrzC1 ASN 1515 HD21 -0.01 -0.01 0.06 -0.04 7.03 7.03 3hrzC1 ASN 1515 HD22 -0.01 0.01 -0.03 -0.04 7.74 7.68 3hrzC1 ASP 1516 H -0.06 0.63 0.25 -0.55 8.40 8.68 3hrzC1 ASP 1516 HA -0.18 0.27 1.00 -0.75 4.63 4.96 3hrzC1 ASP 1516 HB2 -0.34 -0.05 0.04 -0.04 2.71 2.31 3hrzC1 ASP 1516 HB3 -0.75 0.04 -0.06 -0.04 2.70 1.89 3hrzC1 ILE 1517 H -0.18 0.91 0.24 -0.55 8.25 8.67 3hrzC1 ILE 1517 HA -0.05 0.19 0.77 -0.75 4.18 4.33 3hrzC1 ILE 1517 HB -0.05 -0.14 0.10 -0.04 1.89 1.76 3hrzC1 ILE 1517 HG12 -0.06 -0.00 -0.39 -0.04 1.49 0.99 3hrzC1 ILE 1517 HG13 -0.04 -0.01 -0.24 -0.04 1.21 0.89 3hrzC1 ILE 1517 HG23 0.01 0.00 -0.22 -0.04 0.93 0.68 3hrzC1 ILE 1517 HD13 -0.02 0.02 -0.20 -0.04 0.88 0.64 3hrzC1 TYR 1518 H 0.13 0.81 0.16 -0.55 8.29 8.84 3hrzC1 TYR 1518 HA 0.04 0.17 0.94 -0.75 4.56 4.95 3hrzC1 TYR 1518 HB2 0.10 0.02 0.21 -0.04 3.06 3.35 3hrzC1 TYR 1518 HB3 0.01 -0.01 -0.03 -0.04 2.98 2.90 3hrzC1 TYR 1518 HD2 0.02 0.12 -0.08 -0.04 7.15 7.17 3hrzC1 TYR 1518 HE2 -0.01 -0.01 -0.12 -0.04 6.85 6.68 3hrzC1 VAL 1519 H 0.12 0.70 0.29 -0.55 8.24 8.79 3hrzC1 VAL 1519 HA 0.15 0.21 0.72 -0.75 4.13 4.45 3hrzC1 VAL 1519 HB 0.07 -0.16 0.22 -0.04 2.12 2.21 3hrzC1 VAL 1519 HG13 0.07 0.00 -0.19 -0.04 0.97 0.81 3hrzC1 VAL 1519 HG23 0.04 0.02 -0.12 -0.04 0.95 0.85 3hrzC1 MET 1520 H 0.24 0.97 0.48 -0.55 8.47 9.60 3hrzC1 MET 1520 HA 0.12 0.16 0.91 -0.75 4.52 4.96 3hrzC1 MET 1520 HB2 0.38 0.03 0.10 -0.04 2.15 2.62 3hrzC1 MET 1520 HB3 0.15 -0.01 -0.14 -0.04 2.03 1.99 3hrzC1 MET 1520 HG2 0.24 0.07 -0.22 -0.04 2.63 2.69 3hrzC1 MET 1520 HG3 0.00 -0.03 -0.15 -0.04 2.56 2.34 3hrzC1 MET 1520 HE3 -0.32 -0.01 -0.20 -0.04 2.10 1.53 3hrzC1 ASP 1521 H 0.06 0.66 0.41 -0.55 8.40 8.97 3hrzC1 ASP 1521 HA 0.02 0.16 0.94 -0.75 4.63 5.00 3hrzC1 ASP 1521 HB2 0.02 -0.02 0.08 -0.04 2.71 2.75 3hrzC1 ASP 1521 HB3 -0.00 -0.08 0.13 -0.04 2.70 2.70 3hrzC1 VAL 1522 H -0.12 0.29 0.05 -0.55 8.24 7.91 3hrzC1 VAL 1522 HA -0.16 0.08 0.65 -0.75 4.13 3.94 3hrzC1 VAL 1522 HB -0.35 0.09 -0.13 -0.04 2.12 1.69 3hrzC1 VAL 1522 HG13 -0.48 -0.01 -0.35 -0.04 0.97 0.08 3hrzC1 VAL 1522 HG23 -0.82 -0.01 -0.14 -0.04 0.95 -0.06 3hrzC1 LEU 1523 H -0.11 0.65 0.47 -0.55 8.37 8.83 3hrzC1 LEU 1523 HA -0.09 0.09 0.51 -0.75 4.35 4.11 3hrzC1 LEU 1523 HB2 -0.17 0.11 -0.01 -0.04 1.64 1.53 3hrzC1 LEU 1523 HB3 -0.16 -0.03 -0.09 -0.04 1.64 1.32 3hrzC1 LEU 1523 HG -0.11 -0.01 -0.06 -0.04 1.64 1.42 3hrzC1 LEU 1523 HD13 -0.06 0.04 -0.18 -0.04 0.93 0.68 3hrzC1 LEU 1523 HD23 -0.17 -0.01 -0.26 -0.04 0.89 0.41 3hrzC1 GLU 1524 H -0.09 0.39 0.26 -0.55 8.60 8.61 3hrzC1 GLU 1524 HA -0.04 0.17 0.74 -0.75 4.29 4.41 3hrzC1 GLU 1524 HB2 -0.10 -0.10 0.05 -0.04 2.09 1.90 3hrzC1 GLU 1524 HB3 0.01 0.09 -0.10 -0.04 1.99 1.95 3hrzC1 GLU 1524 HG2 -0.04 0.08 -0.02 -0.04 2.34 2.32 3hrzC1 GLU 1524 HG3 -0.12 -0.04 -0.58 -0.04 2.34 1.56 3hrzC1 VAL 1525 H 0.03 0.22 0.06 -0.55 8.24 8.00 3hrzC1 VAL 1525 HA 0.34 0.11 0.86 -0.75 4.13 4.69 3hrzC1 VAL 1525 HB 0.09 0.05 0.13 -0.04 2.12 2.35 3hrzC1 VAL 1525 HG13 0.28 -0.00 -0.25 -0.04 0.97 0.96 3hrzC1 VAL 1525 HG23 -0.01 0.00 -0.04 -0.04 0.95 0.86 3hrzC1 ILE 1526 H 0.29 0.51 0.27 -0.55 8.25 8.77 3hrzC1 ILE 1526 HA 0.13 0.09 0.55 -0.75 4.18 4.19 3hrzC1 ILE 1526 HB 0.25 0.02 -0.03 -0.04 1.89 2.08 3hrzC1 ILE 1526 HG12 0.34 -0.02 -0.17 -0.04 1.49 1.60 3hrzC1 ILE 1526 HG13 0.57 -0.01 -0.21 -0.04 1.21 1.52 3hrzC1 ILE 1526 HG23 0.10 -0.01 -0.08 -0.04 0.93 0.91 3hrzC1 ILE 1526 HD13 0.29 -0.02 -0.17 -0.04 0.88 0.94 3hrzC1 LYS 1527 H 0.16 0.37 0.17 -0.55 8.42 8.57 3hrzC1 LYS 1527 HA 0.02 0.20 0.70 -0.75 4.32 4.48 3hrzC1 LYS 1527 HB2 -0.04 -0.02 -0.13 -0.04 1.87 1.64 3hrzC1 LYS 1527 HB3 -0.01 -0.13 0.04 -0.04 1.79 1.65 3hrzC1 LYS 1527 HG2 -0.02 0.16 -0.11 -0.04 1.46 1.44 3hrzC1 LYS 1527 HG3 -0.06 -0.00 0.02 -0.04 1.46 1.39 3hrzC1 LYS 1527 HD2 -0.11 -0.03 -0.04 -0.04 1.69 1.47 3hrzC1 LYS 1527 HD3 -0.15 -0.05 -0.12 -0.04 1.68 1.32 3hrzC1 LYS 1527 HE2 -0.13 -0.21 -0.31 -0.04 2.99 2.30 3hrzC1 LYS 1527 HE3 -0.07 0.13 -0.20 -0.04 2.99 2.81 3hrzC1 GLN 1528 H 0.06 0.19 0.02 -0.55 8.47 8.19 3hrzC1 GLN 1528 HA 0.18 -0.08 0.44 -0.75 4.36 4.14 3hrzC1 GLN 1528 HB2 0.07 -0.02 0.09 -0.04 2.15 2.25 3hrzC1 GLN 1528 HB3 0.05 0.01 0.13 -0.04 2.02 2.17 3hrzC1 GLN 1528 HG2 0.05 -0.05 -0.01 -0.04 2.40 2.35 3hrzC1 GLN 1528 HG3 0.08 0.23 -0.21 -0.04 2.39 2.45 3hrzC1 GLN 1528 HE21 0.07 -0.02 0.02 -0.04 6.97 7.00 3hrzC1 GLN 1528 HE22 0.07 -0.02 0.03 -0.04 7.69 7.72 3hrzC1 GLY 1529 H 0.21 0.00 0.12 -0.55 8.43 8.22 3hrzC1 GLY 1529 HA2 0.11 0.48 0.89 -0.51 4.01 4.98 3hrzC1 GLY 1529 HA3 0.21 -0.19 0.21 -0.51 4.01 3.72 3hrzC1 THR 1530 H 0.17 0.05 0.08 -0.55 8.28 8.04 3hrzC1 THR 1530 HA 0.08 0.17 0.39 -0.75 4.39 4.28 3hrzC1 THR 1530 HB 0.13 -0.07 0.10 -0.04 4.32 4.45 3hrzC1 THR 1530 HG23 0.06 0.00 -0.04 -0.04 1.22 1.21 3hrzC1 ASP 1531 H 0.18 -0.01 -0.10 -0.55 8.40 7.92 3hrzC1 ASP 1531 HA 0.08 0.05 0.50 -0.75 4.63 4.51 3hrzC1 ASP 1531 HB2 0.16 0.02 0.04 -0.04 2.71 2.88 3hrzC1 ASP 1531 HB3 0.23 -0.02 0.04 -0.04 2.70 2.91 3hrzC1 GLU 1532 H 0.05 0.10 0.16 -0.55 8.60 8.37 3hrzC1 GLU 1532 HA 0.06 0.20 0.21 -0.75 4.29 4.00 3hrzC1 GLU 1532 HB2 0.03 -0.06 0.13 -0.04 2.09 2.15 3hrzC1 GLU 1532 HB3 0.03 -0.00 0.01 -0.04 1.99 1.99 3hrzC1 GLU 1532 HG2 0.04 0.04 0.02 -0.04 2.34 2.39 3hrzC1 GLU 1532 HG3 0.04 0.15 0.03 -0.04 2.34 2.52 3hrzC1 ASN 1533 H 0.05 0.02 -0.25 -0.55 8.53 7.80 3hrzC1 ASN 1533 HA 0.02 0.25 0.84 -0.75 4.76 5.11 3hrzC1 ASN 1533 HB2 0.02 0.06 -0.17 -0.04 2.88 2.74 3hrzC1 ASN 1533 HB3 0.02 -0.02 0.12 -0.04 2.79 2.86 3hrzC1 ASN 1533 HD21 0.00 0.03 -0.00 -0.04 7.03 7.02 3hrzC1 ASN 1533 HD22 0.01 0.01 0.00 -0.04 7.74 7.71 3hrzC1 PRO 1534 HA 0.17 0.07 0.27 -0.51 4.44 4.44 3hrzC1 PRO 1534 HB2 -0.60 0.04 -0.09 -0.04 2.28 1.59 3hrzC1 PRO 1534 HB3 0.01 -0.01 -0.01 -0.04 2.02 1.97 3hrzC1 PRO 1534 HG2 -0.16 -0.02 -0.01 -0.04 2.03 1.80 3hrzC1 PRO 1534 HG3 0.02 0.07 -0.03 -0.04 2.03 2.04 3hrzC1 PRO 1534 HD2 0.02 0.23 -0.13 -0.04 3.68 3.76 3hrzC1 PRO 1534 HD3 0.08 0.36 -0.34 -0.04 3.65 3.71 3hrzC1 ARG 1535 H -0.08 0.12 -0.22 -0.55 8.46 7.73 3hrzC1 ARG 1535 HA -0.11 0.13 0.37 -0.75 4.34 3.97 3hrzC1 ARG 1535 HB2 -0.04 -0.05 -0.03 -0.04 1.90 1.74 3hrzC1 ARG 1535 HB3 -0.05 0.06 0.04 -0.04 1.80 1.81 3hrzC1 ARG 1535 HG2 -0.15 0.08 -0.24 -0.04 1.67 1.32 3hrzC1 ARG 1535 HG3 -0.10 -0.10 -0.09 -0.04 1.67 1.34 3hrzC1 ARG 1535 HD2 -0.06 0.13 -0.05 -0.04 3.22 3.20 3hrzC1 ARG 1535 HD3 -0.06 -0.11 -0.23 -0.04 3.22 2.77 3hrzC1 ALA 1536 H 0.00 0.25 -0.54 -0.55 8.40 7.56 3hrzC1 ALA 1536 HA -0.00 0.05 0.42 -0.75 4.34 4.05 3hrzC1 ALA 1536 HB3 0.01 0.01 0.06 -0.04 1.41 1.44 3hrzC1 LYS 1537 H 0.06 0.29 -0.10 -0.55 8.42 8.11 3hrzC1 LYS 1537 HA 0.02 0.16 1.00 -0.75 4.32 4.75 3hrzC1 LYS 1537 HB2 -0.00 -0.04 0.01 -0.04 1.87 1.79 3hrzC1 LYS 1537 HB3 -0.03 0.04 -0.02 -0.04 1.79 1.73 3hrzC1 LYS 1537 HG2 -0.01 -0.05 -0.20 -0.04 1.46 1.16 3hrzC1 LYS 1537 HG3 -0.03 -0.02 -0.08 -0.04 1.46 1.29 3hrzC1 LYS 1537 HD2 0.00 0.32 0.04 -0.04 1.69 2.00 3hrzC1 LYS 1537 HD3 -0.01 -0.04 -0.03 -0.04 1.68 1.56 3hrzC1 LYS 1537 HE2 -0.02 0.04 0.04 -0.04 2.99 3.02 3hrzC1 LYS 1537 HE3 -0.00 -0.12 0.18 -0.04 2.99 3.01 3hrzC1 THR 1538 H 0.03 0.08 0.16 -0.55 8.28 8.01 3hrzC1 THR 1538 HA 0.16 0.16 0.67 -0.75 4.39 4.63 3hrzC1 THR 1538 HB 0.07 -0.01 -0.07 -0.04 4.32 4.27 3hrzC1 THR 1538 HG23 0.05 0.01 -0.04 -0.04 1.22 1.21 3hrzC1 HIS 1539 H 0.27 0.64 0.36 -0.55 8.41 9.13 3hrzC1 HIS 1539 HA 0.00 0.30 0.89 -0.75 4.63 5.07 3hrzC1 HIS 1539 HB2 0.19 0.01 0.14 -0.04 3.26 3.56 3hrzC1 HIS 1539 HB3 0.11 -0.03 -0.11 -0.04 3.20 3.13 3hrzC1 HIS 1539 HD2 0.26 -0.04 -0.14 -0.04 6.97 7.00 3hrzC1 HIS 1539 HE1 -0.06 0.14 0.13 -0.04 7.75 7.92 3hrzC1 GLN 1540 H -0.05 0.77 0.41 -0.55 8.47 9.06 3hrzC1 GLN 1540 HA 0.13 0.16 0.86 -0.75 4.36 4.76 3hrzC1 GLN 1540 HB2 -0.04 -0.03 0.11 -0.04 2.15 2.16 3hrzC1 GLN 1540 HB3 0.02 -0.04 -0.10 -0.04 2.02 1.87 3hrzC1 GLN 1540 HG2 0.03 -0.03 -0.17 -0.04 2.40 2.19 3hrzC1 GLN 1540 HG3 -0.01 0.07 -0.13 -0.04 2.39 2.28 3hrzC1 GLN 1540 HE21 -0.01 0.01 -0.11 -0.04 6.97 6.81 3hrzC1 GLN 1540 HE22 0.00 -0.01 -0.12 -0.04 7.69 7.51 3hrzC1 TYR 1541 H 0.34 0.68 0.25 -0.55 8.29 9.01 3hrzC1 TYR 1541 HA 0.20 0.24 0.99 -0.75 4.56 5.23 3hrzC1 TYR 1541 HB2 0.18 0.04 0.15 -0.04 3.06 3.39 3hrzC1 TYR 1541 HB3 0.15 -0.01 -0.08 -0.04 2.98 3.00 3hrzC1 TYR 1541 HD2 0.16 0.05 -0.20 -0.04 7.15 7.13 3hrzC1 TYR 1541 HE2 0.14 -0.01 -0.20 -0.04 6.85 6.75 3hrzC1 ILE 1542 H 0.17 0.76 0.35 -0.55 8.25 8.98 3hrzC1 ILE 1542 HA 0.09 0.34 0.85 -0.75 4.18 4.71 3hrzC1 ILE 1542 HB 0.05 -0.00 0.06 -0.04 1.89 1.96 3hrzC1 ILE 1542 HG12 0.02 -0.02 -0.23 -0.04 1.49 1.22 3hrzC1 ILE 1542 HG13 0.03 0.02 -0.25 -0.04 1.21 0.98 3hrzC1 ILE 1542 HG23 0.01 -0.00 -0.21 -0.04 0.93 0.70 3hrzC1 ILE 1542 HD13 -0.01 -0.00 -0.18 -0.04 0.88 0.64 3hrzC1 SER 1543 H 0.05 0.66 0.41 -0.55 8.46 9.04 3hrzC1 SER 1543 HA 0.08 0.19 0.89 -0.75 4.49 4.90 3hrzC1 SER 1543 HB2 0.23 0.01 -0.18 -0.04 3.95 3.97 3hrzC1 SER 1543 HB3 0.27 -0.04 -0.03 -0.04 3.93 4.09 3hrzC1 GLN 1544 H 0.03 0.21 0.20 -0.55 8.47 8.37 3hrzC1 GLN 1544 HA 0.00 0.25 0.94 -0.75 4.36 4.80 3hrzC1 GLN 1544 HB2 0.00 -0.16 0.11 -0.04 2.15 2.06 3hrzC1 GLN 1544 HB3 -0.00 0.12 0.16 -0.04 2.02 2.25 3hrzC1 GLN 1544 HG2 0.00 0.10 0.10 -0.04 2.40 2.57 3hrzC1 GLN 1544 HG3 0.02 -0.11 0.19 -0.04 2.39 2.44 3hrzC1 GLN 1544 HE21 -0.03 0.05 -0.22 -0.04 6.97 6.72 3hrzC1 GLN 1544 HE22 -0.01 0.03 -0.05 -0.04 7.69 7.62 3hrzC1 ARG 1545 H -0.00 0.58 0.31 -0.55 8.46 8.79 3hrzC1 ARG 1545 HA 0.01 0.04 0.34 -0.75 4.34 3.98 3hrzC1 ARG 1545 HB2 -0.00 0.07 0.12 -0.04 1.90 2.04 3hrzC1 ARG 1545 HB3 0.00 0.01 0.06 -0.04 1.80 1.83 3hrzC1 ARG 1545 HG2 -0.03 -0.00 -0.10 -0.04 1.67 1.50 3hrzC1 ARG 1545 HG3 -0.03 0.03 -0.31 -0.04 1.67 1.32 3hrzC1 ARG 1545 HD2 -0.01 0.03 -0.02 -0.04 3.22 3.17 3hrzC1 ARG 1545 HD3 -0.01 0.02 -0.06 -0.04 3.22 3.13 3hrzC1 LYS 1546 H 0.01 0.09 -0.36 -0.55 8.42 7.61 3hrzC1 LYS 1546 HA 0.02 0.10 0.49 -0.75 4.32 4.17 3hrzC1 LYS 1546 HB2 0.01 0.01 0.10 -0.04 1.87 1.96 3hrzC1 LYS 1546 HB3 0.01 0.01 -0.01 -0.04 1.79 1.76 3hrzC1 LYS 1546 HG2 0.02 -0.01 -0.13 -0.04 1.46 1.30 3hrzC1 LYS 1546 HG3 0.03 0.01 0.09 -0.04 1.46 1.54 3hrzC1 LYS 1546 HD2 0.02 -0.01 0.02 -0.04 1.69 1.69 3hrzC1 LYS 1546 HD3 0.01 0.03 -0.07 -0.04 1.68 1.61 3hrzC1 LYS 1546 HE2 0.05 -0.03 0.03 -0.04 2.99 3.00 3hrzC1 LYS 1546 HE3 0.06 0.08 0.05 -0.04 2.99 3.13 3hrzC1 CYS 1547 H 0.03 0.52 -0.30 -0.55 8.50 8.20 3hrzC1 CYS 1547 HA 0.01 0.14 0.61 -0.75 4.58 4.58 3hrzC1 CYS 1547 HB2 0.05 0.11 0.07 -0.04 2.97 3.16 3hrzC1 CYS 1547 HB3 0.01 0.05 0.11 -0.04 2.97 3.10 3hrzC1 GLN 1548 H 0.05 0.28 -0.34 -0.55 8.47 7.91 3hrzC1 GLN 1548 HA 0.13 0.01 0.34 -0.75 4.36 4.09 3hrzC1 GLN 1548 HB2 0.03 0.17 0.15 -0.04 2.15 2.46 3hrzC1 GLN 1548 HB3 0.05 0.01 -0.02 -0.04 2.02 2.01 3hrzC1 GLN 1548 HG2 0.05 -0.08 0.07 -0.04 2.40 2.40 3hrzC1 GLN 1548 HG3 0.02 0.04 0.10 -0.04 2.39 2.51 3hrzC1 GLN 1548 HE21 0.01 0.01 -0.04 -0.04 6.97 6.90 3hrzC1 GLN 1548 HE22 0.00 -0.01 -0.02 -0.04 7.69 7.62 3hrzC1 GLU 1549 H 0.02 0.20 -0.15 -0.55 8.60 8.12 3hrzC1 GLU 1549 HA 0.02 0.04 0.31 -0.75 4.29 3.90 3hrzC1 GLU 1549 HB2 0.01 -0.01 0.09 -0.04 2.09 2.15 3hrzC1 GLU 1549 HB3 0.01 0.03 0.07 -0.04 1.99 2.06 3hrzC1 GLU 1549 HG2 -0.00 0.04 -0.20 -0.04 2.34 2.14 3hrzC1 GLU 1549 HG3 0.00 -0.01 0.02 -0.04 2.34 2.31 3hrzC1 ALA 1550 H -0.00 0.11 -0.25 -0.55 8.40 7.71 3hrzC1 ALA 1550 HA -0.03 0.07 0.42 -0.75 4.34 4.04 3hrzC1 ALA 1550 HB3 -0.02 0.01 0.03 -0.04 1.41 1.39 3hrzC1 LEU 1551 H -0.02 0.55 -0.10 -0.55 8.37 8.25 3hrzC1 LEU 1551 HA -0.12 -0.13 0.61 -0.75 4.35 3.96 3hrzC1 LEU 1551 HB2 -0.05 0.09 0.05 -0.04 1.64 1.69 3hrzC1 LEU 1551 HB3 -0.28 -0.10 -0.09 -0.04 1.64 1.12 3hrzC1 LEU 1551 HG -0.05 0.14 -0.04 -0.04 1.64 1.65 3hrzC1 LEU 1551 HD13 -0.06 -0.04 -0.14 -0.04 0.93 0.65 3hrzC1 LEU 1551 HD23 -0.17 -0.05 -0.24 -0.04 0.89 0.39 3hrzC1 ASN 1552 H -0.02 0.53 -0.07 -0.55 8.53 8.42 3hrzC1 ASN 1552 HA 0.01 -0.01 0.28 -0.75 4.76 4.29 3hrzC1 ASN 1552 HB2 -0.01 0.26 -0.09 -0.04 2.88 2.99 3hrzC1 ASN 1552 HB3 -0.01 0.03 -0.14 -0.04 2.79 2.63 3hrzC1 ASN 1552 HD21 0.02 -0.08 -0.03 -0.04 7.03 6.90 3hrzC1 ASN 1552 HD22 0.02 0.02 0.01 -0.04 7.74 7.75 3hrzC1 LEU 1553 H -0.05 0.03 -0.19 -0.55 8.37 7.62 3hrzC1 LEU 1553 HA 0.03 0.15 0.62 -0.75 4.35 4.39 3hrzC1 LEU 1553 HB2 -0.19 -0.06 -0.10 -0.04 1.64 1.25 3hrzC1 LEU 1553 HB3 -0.29 -0.01 -0.11 -0.04 1.64 1.18 3hrzC1 LEU 1553 HG -0.49 -0.04 -0.27 -0.04 1.64 0.80 3hrzC1 LEU 1553 HD13 -1.20 -0.02 -0.15 -0.04 0.93 -0.47 3hrzC1 LEU 1553 HD23 -0.67 0.04 -0.17 -0.04 0.89 0.05 3hrzC1 LYS 1554 H 0.30 0.19 0.09 -0.55 8.42 8.45 3hrzC1 LYS 1554 HA 0.10 0.15 0.85 -0.75 4.32 4.66 3hrzC1 LYS 1554 HB2 0.12 -0.03 0.08 -0.04 1.87 2.01 3hrzC1 LYS 1554 HB3 0.09 0.09 -0.07 -0.04 1.79 1.86 3hrzC1 LYS 1554 HG2 0.06 -0.02 -0.04 -0.04 1.46 1.42 3hrzC1 LYS 1554 HG3 0.07 0.02 -0.05 -0.04 1.46 1.46 3hrzC1 LYS 1554 HD2 0.08 0.04 -0.50 -0.04 1.69 1.27 3hrzC1 LYS 1554 HD3 0.07 -0.01 -0.07 -0.04 1.68 1.62 3hrzC1 LYS 1554 HE2 0.04 -0.05 -0.07 -0.04 2.99 2.87 3hrzC1 LYS 1554 HE3 0.04 0.00 -0.16 -0.04 2.99 2.84 3hrzC1 VAL 1555 H 0.09 0.13 0.08 -0.55 8.24 7.99 3hrzC1 VAL 1555 HA 0.11 0.08 0.38 -0.75 4.13 3.95 3hrzC1 VAL 1555 HB 0.06 -0.04 0.12 -0.04 2.12 2.21 3hrzC1 VAL 1555 HG13 0.05 0.04 -0.10 -0.04 0.97 0.92 3hrzC1 VAL 1555 HG23 0.07 -0.01 -0.10 -0.04 0.95 0.87 3hrzC1 ASN 1556 H 0.09 0.85 0.37 -0.55 8.53 9.29 3hrzC1 ASN 1556 HA 0.06 0.02 0.36 -0.75 4.76 4.45 3hrzC1 ASN 1556 HB2 0.03 0.22 0.01 -0.04 2.88 3.10 3hrzC1 ASN 1556 HB3 0.02 -0.08 0.16 -0.04 2.79 2.85 3hrzC1 ASN 1556 HD21 0.01 -0.01 -0.01 -0.04 7.03 6.98 3hrzC1 ASN 1556 HD22 0.00 -0.00 -0.06 -0.04 7.74 7.64 3hrzC1 ASP 1557 H 0.11 0.42 -0.48 -0.55 8.40 7.90 3hrzC1 ASP 1557 HA 0.03 0.05 0.76 -0.75 4.63 4.71 3hrzC1 ASP 1557 HB2 0.05 0.15 0.13 -0.04 2.71 3.00 3hrzC1 ASP 1557 HB3 -0.52 0.06 0.03 -0.04 2.70 2.23 3hrzC1 ASP 1558 H -0.56 0.13 0.23 -0.55 8.40 7.65 3hrzC1 ASP 1558 HA -0.18 0.25 1.09 -0.75 4.63 5.04 3hrzC1 ASP 1558 HB2 -0.38 0.22 0.13 -0.04 2.71 2.64 3hrzC1 ASP 1558 HB3 -0.35 0.02 0.08 -0.04 2.70 2.42 3hrzC1 TYR 1559 H 0.01 0.64 0.36 -0.55 8.29 8.75 3hrzC1 TYR 1559 HA 0.07 0.18 1.06 -0.75 4.56 5.12 3hrzC1 TYR 1559 HB2 -0.03 -0.08 -0.11 -0.04 3.06 2.80 3hrzC1 TYR 1559 HB3 -0.02 0.05 -0.11 -0.04 2.98 2.86 3hrzC1 TYR 1559 HD2 -0.05 -0.02 -0.37 -0.04 7.15 6.68 3hrzC1 TYR 1559 HE2 -0.04 0.07 -0.12 -0.04 6.85 6.72 3hrzC1 LEU 1560 H 0.33 0.72 0.30 -0.55 8.37 9.17 3hrzC1 LEU 1560 HA 0.52 0.23 0.99 -0.75 4.35 5.33 3hrzC1 LEU 1560 HB2 0.58 -0.02 0.08 -0.04 1.64 2.23 3hrzC1 LEU 1560 HB3 0.37 -0.03 0.15 -0.04 1.64 2.09 3hrzC1 LEU 1560 HG 0.21 0.00 -0.45 -0.04 1.64 1.36 3hrzC1 LEU 1560 HD13 0.59 0.06 -0.06 -0.04 0.93 1.48 3hrzC1 LEU 1560 HD23 -0.08 -0.01 -0.12 -0.04 0.89 0.64 3hrzC1 ILE 1561 H 0.31 0.72 0.27 -0.55 8.25 9.00 3hrzC1 ILE 1561 HA 0.04 0.52 1.16 -0.75 4.18 5.14 3hrzC1 ILE 1561 HB 0.19 -0.09 0.00 -0.04 1.89 1.96 3hrzC1 ILE 1561 HG12 -0.11 0.07 -0.15 -0.04 1.49 1.26 3hrzC1 ILE 1561 HG13 0.09 -0.09 -0.51 -0.04 1.21 0.65 3hrzC1 ILE 1561 HG23 -0.07 -0.01 -0.21 -0.04 0.93 0.60 3hrzC1 ILE 1561 HD13 -0.38 -0.01 -0.18 -0.04 0.88 0.27 3hrzC1 TRP 1562 H -0.16 0.51 0.38 -0.55 7.97 8.16 3hrzC1 TRP 1562 HA -0.36 0.14 0.65 -0.75 4.62 4.29 3hrzC1 TRP 1562 HB2 -0.26 0.30 0.37 -0.04 3.23 3.61 3hrzC1 TRP 1562 HB3 -0.06 -0.09 0.12 -0.04 3.23 3.16 3hrzC1 TRP 1562 HD1 -0.08 0.02 -0.39 -0.04 7.22 6.73 3hrzC1 TRP 1562 HE1 0.04 0.02 -0.10 -0.04 10.20 10.13 3hrzC1 TRP 1562 HE3 -0.11 -0.02 -0.12 -0.04 7.59 7.29 3hrzC1 TRP 1562 HZ2 -0.84 -0.02 -0.12 -0.04 7.44 6.42 3hrzC1 TRP 1562 HZ3 -0.73 -0.04 -0.11 -0.04 7.13 6.22 3hrzC1 TRP 1562 HH2 -1.52 -0.06 -0.05 -0.04 7.19 5.52 3hrzC1 GLY 1563 H -0.70 0.38 0.33 -0.55 8.43 7.90 3hrzC1 GLY 1563 HA2 0.12 0.30 0.53 -0.51 4.01 4.44 3hrzC1 GLY 1563 HA3 -0.08 -0.00 0.36 -0.51 4.01 3.78 3hrzC1 SER 1564 H 0.06 0.12 0.14 -0.55 8.46 8.24 3hrzC1 SER 1564 HA 0.02 0.25 0.94 -0.75 4.49 4.95 3hrzC1 SER 1564 HB2 0.05 0.23 0.14 -0.04 3.95 4.33 3hrzC1 SER 1564 HB3 0.09 -0.05 0.15 -0.04 3.93 4.07 3hrzC1 ARG 1565 H 0.10 0.29 0.25 -0.55 8.46 8.54 3hrzC1 ARG 1565 HA 0.31 0.09 0.56 -0.75 4.34 4.54 3hrzC1 ARG 1565 HB2 0.14 0.02 0.18 -0.04 1.90 2.20 3hrzC1 ARG 1565 HB3 0.10 0.04 0.11 -0.04 1.80 2.01 3hrzC1 ARG 1565 HG2 0.09 0.05 0.03 -0.04 1.67 1.80 3hrzC1 ARG 1565 HG3 0.10 0.04 -0.02 -0.04 1.67 1.74 3hrzC1 ARG 1565 HD2 0.24 -0.01 0.14 -0.04 3.22 3.55 3hrzC1 ARG 1565 HD3 0.19 -0.08 0.07 -0.04 3.22 3.36 3hrzC1 SER 1566 H 0.10 0.06 -0.17 -0.55 8.46 7.91 3hrzC1 SER 1566 HA 0.07 0.10 0.37 -0.75 4.49 4.29 3hrzC1 SER 1566 HB2 0.08 -0.05 -0.00 -0.04 3.95 3.94 3hrzC1 SER 1566 HB3 0.06 0.05 0.03 -0.04 3.93 4.03 3hrzC1 ASP 1567 H 0.21 0.27 -0.59 -0.55 8.40 7.74 3hrzC1 ASP 1567 HA 0.12 0.19 0.53 -0.75 4.63 4.72 3hrzC1 ASP 1567 HB2 0.26 0.05 0.10 -0.04 2.71 3.07 3hrzC1 ASP 1567 HB3 0.21 0.12 0.23 -0.04 2.70 3.21 3hrzC1 LEU 1568 H 0.18 0.33 -0.29 -0.55 8.37 8.05 3hrzC1 LEU 1568 HA -0.41 0.08 0.67 -0.75 4.35 3.94 3hrzC1 LEU 1568 HB2 0.03 -0.03 0.17 -0.04 1.64 1.76 3hrzC1 LEU 1568 HB3 -0.02 0.01 0.06 -0.04 1.64 1.65 3hrzC1 LEU 1568 HG -0.21 0.19 -0.04 -0.04 1.64 1.53 3hrzC1 LEU 1568 HD13 -0.58 -0.02 0.05 -0.04 0.93 0.34 3hrzC1 LEU 1568 HD23 -0.06 -0.03 -0.04 -0.04 0.89 0.73 3hrzC1 LEU 1569 H -0.24 0.74 0.45 -0.55 8.37 8.78 3hrzC1 LEU 1569 HA -0.05 0.23 0.89 -0.75 4.35 4.67 3hrzC1 LEU 1569 HB2 -0.10 -0.03 -0.01 -0.04 1.64 1.46 3hrzC1 LEU 1569 HB3 -0.06 -0.03 -0.08 -0.04 1.64 1.43 3hrzC1 LEU 1569 HG -0.02 0.06 -0.23 -0.04 1.64 1.41 3hrzC1 LEU 1569 HD13 -0.01 -0.02 -0.27 -0.04 0.93 0.59 3hrzC1 LEU 1569 HD23 -0.01 0.02 -0.08 -0.04 0.89 0.78 3hrzC1 PRO 1570 HA -0.05 0.11 0.33 -0.51 4.44 4.32 3hrzC1 PRO 1570 HB2 -0.03 -0.01 0.21 -0.04 2.28 2.41 3hrzC1 PRO 1570 HB3 -0.02 0.03 0.11 -0.04 2.02 2.10 3hrzC1 PRO 1570 HG2 -0.03 0.01 -0.01 -0.04 2.03 1.96 3hrzC1 PRO 1570 HG3 -0.02 0.03 0.07 -0.04 2.03 2.07 3hrzC1 PRO 1570 HD2 -0.03 0.09 0.16 -0.04 3.68 3.85 3hrzC1 PRO 1570 HD3 -0.03 0.21 0.15 -0.04 3.65 3.94 3hrzC1 THR 1571 H -0.09 0.41 -0.59 -0.55 8.28 7.46 3hrzC1 THR 1571 HA -0.05 0.04 0.61 -0.75 4.39 4.24 3hrzC1 THR 1571 HB -0.07 -0.05 -0.08 -0.04 4.32 4.08 3hrzC1 THR 1571 HG23 -0.11 0.04 -0.08 -0.04 1.22 1.03 3hrzC1 LYS 1572 H -0.04 0.12 0.15 -0.55 8.42 8.10 3hrzC1 LYS 1572 HA -0.04 0.04 0.46 -0.75 4.32 4.03 3hrzC1 LYS 1572 HB2 -0.03 0.04 0.11 -0.04 1.87 1.95 3hrzC1 LYS 1572 HB3 -0.03 -0.02 0.12 -0.04 1.79 1.83 3hrzC1 LYS 1572 HG2 -0.03 0.03 -0.12 -0.04 1.46 1.30 3hrzC1 LYS 1572 HG3 -0.02 -0.00 0.02 -0.04 1.46 1.41 3hrzC1 LYS 1572 HD2 -0.02 -0.01 -0.05 -0.04 1.69 1.57 3hrzC1 LYS 1572 HD3 -0.02 -0.00 -0.06 -0.04 1.68 1.56 3hrzC1 LYS 1572 HE2 -0.01 0.00 -0.00 -0.04 2.99 2.94 3hrzC1 LYS 1572 HE3 -0.01 -0.00 0.01 -0.04 2.99 2.94 3hrzC1 ASP 1573 H -0.04 0.15 0.20 -0.55 8.40 8.16 3hrzC1 ASP 1573 HA -0.04 -0.01 0.31 -0.75 4.63 4.14 3hrzC1 ASP 1573 HB2 -0.03 0.20 -0.09 -0.04 2.71 2.75 3hrzC1 ASP 1573 HB3 -0.03 -0.02 0.16 -0.04 2.70 2.78 3hrzC1 LYS 1574 H -0.07 0.44 -0.26 -0.55 8.42 7.97 3hrzC1 LYS 1574 HA -0.08 0.07 0.28 -0.75 4.32 3.84 3hrzC1 LYS 1574 HB2 -0.08 -0.06 -0.23 -0.04 1.87 1.45 3hrzC1 LYS 1574 HB3 -0.07 0.02 0.04 -0.04 1.79 1.74 3hrzC1 LYS 1574 HG2 -0.04 0.44 -0.15 -0.04 1.46 1.67 3hrzC1 LYS 1574 HG3 -0.04 0.06 -0.46 -0.04 1.46 0.98 3hrzC1 LYS 1574 HD2 -0.03 -0.07 -0.12 -0.04 1.69 1.43 3hrzC1 LYS 1574 HD3 -0.03 -0.02 -0.05 -0.04 1.68 1.54 3hrzC1 LYS 1574 HE2 -0.02 0.06 -0.03 -0.04 2.99 2.95 3hrzC1 LYS 1574 HE3 -0.02 -0.01 -0.08 -0.04 2.99 2.84 3hrzC1 ILE 1575 H -0.20 0.36 0.14 -0.55 8.25 8.00 3hrzC1 ILE 1575 HA -0.27 0.19 0.98 -0.75 4.18 4.32 3hrzC1 ILE 1575 HB -0.83 0.05 0.10 -0.04 1.89 1.16 3hrzC1 ILE 1575 HG12 -0.22 -0.07 -0.17 -0.04 1.49 0.99 3hrzC1 ILE 1575 HG13 -0.36 0.04 -0.07 -0.04 1.21 0.77 3hrzC1 ILE 1575 HG23 -0.39 -0.01 -0.10 -0.04 0.93 0.38 3hrzC1 ILE 1575 HD13 -0.13 -0.00 -0.04 -0.04 0.88 0.66 3hrzC1 SER 1576 H -0.33 0.30 0.21 -0.55 8.46 8.09 3hrzC1 SER 1576 HA -0.21 0.35 1.02 -0.75 4.49 4.89 3hrzC1 SER 1576 HB2 -0.14 -0.06 0.02 -0.04 3.95 3.73 3hrzC1 SER 1576 HB3 -0.09 0.04 -0.02 -0.04 3.93 3.82 3hrzC1 TYR 1577 H -0.16 0.66 0.38 -0.55 8.29 8.62 3hrzC1 TYR 1577 HA -0.04 0.32 1.05 -0.75 4.56 5.14 3hrzC1 TYR 1577 HB2 -0.45 -0.06 -0.04 -0.04 3.06 2.47 3hrzC1 TYR 1577 HB3 0.06 0.09 -0.11 -0.04 2.98 2.98 3hrzC1 TYR 1577 HD2 -0.22 -0.00 -0.34 -0.04 7.15 6.56 3hrzC1 TYR 1577 HE2 0.11 -0.01 -0.12 -0.04 6.85 6.79 3hrzC1 ILE 1578 H 0.15 0.67 0.26 -0.55 8.25 8.77 3hrzC1 ILE 1578 HA 0.11 0.12 0.86 -0.75 4.18 4.52 3hrzC1 ILE 1578 HB 0.10 -0.09 0.02 -0.04 1.89 1.88 3hrzC1 ILE 1578 HG12 0.04 -0.04 -0.07 -0.04 1.49 1.38 3hrzC1 ILE 1578 HG13 0.06 0.16 0.03 -0.04 1.21 1.42 3hrzC1 ILE 1578 HG23 0.06 0.06 -0.09 -0.04 0.93 0.91 3hrzC1 ILE 1578 HD13 0.04 -0.00 -0.07 -0.04 0.88 0.80 3hrzC1 ILE 1579 H 0.16 0.59 0.24 -0.55 8.25 8.68 3hrzC1 ILE 1579 HA 0.17 0.01 0.60 -0.75 4.18 4.20 3hrzC1 ILE 1579 HB 0.11 0.02 0.09 -0.04 1.89 2.07 3hrzC1 ILE 1579 HG12 0.12 0.01 -0.12 -0.04 1.49 1.46 3hrzC1 ILE 1579 HG13 0.31 -0.05 -0.19 -0.04 1.21 1.24 3hrzC1 ILE 1579 HG23 0.00 -0.01 -0.17 -0.04 0.93 0.71 3hrzC1 ILE 1579 HD13 0.13 -0.00 -0.27 -0.04 0.88 0.69 3hrzC1 THR 1580 H 0.08 0.13 0.25 -0.55 8.28 8.19 3hrzC1 THR 1580 HA 0.03 0.31 0.84 -0.75 4.39 4.81 3hrzC1 THR 1580 HB 0.04 -0.05 0.16 -0.04 4.32 4.43 3hrzC1 THR 1580 HG23 0.07 0.11 -0.25 -0.04 1.22 1.11 3hrzC1 LYS 1581 H 0.02 0.18 0.14 -0.55 8.42 8.20 3hrzC1 LYS 1581 HA -0.01 0.16 0.44 -0.75 4.32 4.15 3hrzC1 LYS 1581 HB2 0.02 -0.02 0.04 -0.04 1.87 1.87 3hrzC1 LYS 1581 HB3 0.02 0.05 0.07 -0.04 1.79 1.89 3hrzC1 LYS 1581 HG2 -0.01 0.06 -0.03 -0.04 1.46 1.43 3hrzC1 LYS 1581 HG3 -0.00 -0.04 0.06 -0.04 1.46 1.43 3hrzC1 LYS 1581 HD2 0.00 -0.01 0.01 -0.04 1.69 1.66 3hrzC1 LYS 1581 HD3 0.00 0.02 -0.01 -0.04 1.68 1.66 3hrzC1 LYS 1581 HE2 -0.02 0.01 -0.05 -0.04 2.99 2.90 3hrzC1 LYS 1581 HE3 -0.02 0.02 0.01 -0.04 2.99 2.95 3hrzC1 ASN 1582 H 0.06 -0.01 -0.27 -0.55 8.53 7.77 3hrzC1 ASN 1582 HA 0.12 0.17 0.64 -0.75 4.76 4.94 3hrzC1 ASN 1582 HB2 0.09 -0.05 0.00 -0.04 2.88 2.88 3hrzC1 ASN 1582 HB3 0.11 0.02 0.08 -0.04 2.79 2.95 3hrzC1 ASN 1582 HD21 0.05 0.03 -0.01 -0.04 7.03 7.06 3hrzC1 ASN 1582 HD22 0.07 -0.02 -0.00 -0.04 7.74 7.75 3hrzC1 THR 1583 H 0.05 0.38 -0.33 -0.55 8.28 7.83 3hrzC1 THR 1583 HA 0.06 0.16 0.85 -0.75 4.39 4.71 3hrzC1 THR 1583 HB -0.00 0.09 0.16 -0.04 4.32 4.53 3hrzC1 THR 1583 HG23 0.01 0.00 -0.17 -0.04 1.22 1.02 3hrzC1 TRP 1584 H -0.15 0.65 0.36 -0.55 7.97 8.28 3hrzC1 TRP 1584 HA -0.39 0.15 0.87 -0.75 4.62 4.49 3hrzC1 TRP 1584 HB2 -1.00 0.06 -0.01 -0.04 3.23 2.24 3hrzC1 TRP 1584 HB3 -2.39 -0.10 0.19 -0.04 3.23 0.89 3hrzC1 TRP 1584 HD1 -0.80 0.03 -0.48 -0.04 7.22 5.93 3hrzC1 TRP 1584 HE1 -0.40 -0.04 -0.19 -0.04 10.20 9.54 3hrzC1 TRP 1584 HE3 -0.02 0.05 -0.06 -0.04 7.59 7.52 3hrzC1 TRP 1584 HZ2 -0.16 -0.04 -0.10 -0.04 7.44 7.10 3hrzC1 TRP 1584 HZ3 0.08 -0.01 -0.03 -0.04 7.13 7.12 3hrzC1 TRP 1584 HH2 -0.01 -0.04 -0.05 -0.04 7.19 7.05 3hrzC1 ILE 1585 H -0.60 0.26 0.17 -0.55 8.25 7.53 3hrzC1 ILE 1585 HA -0.11 0.37 1.10 -0.75 4.18 4.78 3hrzC1 ILE 1585 HB -0.29 -0.03 0.03 -0.04 1.89 1.55 3hrzC1 ILE 1585 HG12 -0.25 0.06 -0.27 -0.04 1.49 0.99 3hrzC1 ILE 1585 HG13 -0.24 0.00 -0.39 -0.04 1.21 0.54 3hrzC1 ILE 1585 HG23 -0.28 -0.01 -0.16 -0.04 0.93 0.44 3hrzC1 ILE 1585 HD13 -0.31 -0.01 -0.17 -0.04 0.88 0.35 3hrzC1 GLU 1586 H 0.11 0.57 0.31 -0.55 8.60 9.04 3hrzC1 GLU 1586 HA -0.01 0.23 0.95 -0.75 4.29 4.71 3hrzC1 GLU 1586 HB2 0.15 -0.03 -0.21 -0.04 2.09 1.96 3hrzC1 GLU 1586 HB3 0.31 -0.06 0.03 -0.04 1.99 2.23 3hrzC1 GLU 1586 HG2 0.30 0.10 -0.12 -0.04 2.34 2.57 3hrzC1 GLU 1586 HG3 0.06 0.26 0.07 -0.04 2.34 2.69 3hrzC1 ARG 1587 H 0.12 0.26 0.19 -0.55 8.46 8.48 3hrzC1 ARG 1587 HA -0.13 0.14 0.60 -0.75 4.34 4.20 3hrzC1 ARG 1587 HB2 0.09 0.04 0.12 -0.04 1.90 2.10 3hrzC1 ARG 1587 HB3 0.10 -0.02 0.14 -0.04 1.80 1.97 3hrzC1 ARG 1587 HG2 -0.15 -0.04 -0.34 -0.04 1.67 1.10 3hrzC1 ARG 1587 HG3 -0.34 0.07 0.04 -0.04 1.67 1.40 3hrzC1 ARG 1587 HD2 0.04 0.06 -0.00 -0.04 3.22 3.27 3hrzC1 ARG 1587 HD3 0.09 -0.03 -0.05 -0.04 3.22 3.19 3hrzC1 TRP 1588 H -0.21 0.69 0.22 -0.55 7.97 8.13 3hrzC1 TRP 1588 HA -0.90 0.17 0.76 -0.75 4.62 3.90 3hrzC1 TRP 1588 HB2 -0.41 -0.08 -0.21 -0.04 3.23 2.49 3hrzC1 TRP 1588 HB3 -0.39 -0.08 -0.17 -0.04 3.23 2.55 3hrzC1 TRP 1588 HD1 -0.40 0.30 -0.34 -0.04 7.22 6.75 3hrzC1 TRP 1588 HE1 -0.12 -0.01 -0.09 -0.04 10.20 9.95 3hrzC1 TRP 1588 HE3 -0.05 -0.01 -0.13 -0.04 7.59 7.36 3hrzC1 TRP 1588 HZ2 0.13 0.01 -0.14 -0.04 7.44 7.40 3hrzC1 TRP 1588 HZ3 0.27 0.01 -0.06 -0.04 7.13 7.31 3hrzC1 TRP 1588 HH2 0.28 0.01 -0.06 -0.04 7.19 7.37 3hrzC1 PRO 1589 HA -0.35 -0.05 0.29 -0.51 4.44 3.82 3hrzC1 PRO 1589 HB2 -0.03 0.05 -0.07 -0.04 2.28 2.18 3hrzC1 PRO 1589 HB3 -0.41 -0.04 -0.00 -0.04 2.02 1.53 3hrzC1 PRO 1589 HG2 0.16 0.01 -0.03 -0.04 2.03 2.13 3hrzC1 PRO 1589 HG3 0.23 0.06 0.02 -0.04 2.03 2.29 3hrzC1 PRO 1589 HD2 -0.58 0.07 0.10 -0.04 3.68 3.23 3hrzC1 PRO 1589 HD3 -0.33 0.34 0.24 -0.04 3.65 3.86 3hrzC1 HIS 1590 H -0.30 0.05 0.19 -0.55 8.41 7.81 3hrzC1 HIS 1590 HA -0.10 0.18 0.59 -0.75 4.63 4.55 3hrzC1 HIS 1590 HB2 -0.15 -0.12 0.13 -0.04 3.26 3.09 3hrzC1 HIS 1590 HB3 -0.09 -0.07 0.12 -0.04 3.20 3.12 3hrzC1 HIS 1590 HD2 -0.15 -0.03 0.08 -0.04 6.97 6.82 3hrzC1 HIS 1590 HE1 -0.10 0.46 0.24 -0.04 7.75 8.30 3hrzC1 GLU 1591 H 0.05 0.20 0.16 -0.55 8.60 8.47 3hrzC1 GLU 1591 HA 0.04 0.14 0.40 -0.75 4.29 4.12 3hrzC1 GLU 1591 HB2 0.01 0.08 0.13 -0.04 2.09 2.26 3hrzC1 GLU 1591 HB3 0.01 -0.05 0.15 -0.04 1.99 2.06 3hrzC1 GLU 1591 HG2 0.01 -0.00 -0.35 -0.04 2.34 1.95 3hrzC1 GLU 1591 HG3 0.02 0.04 -0.01 -0.04 2.34 2.34 3hrzC1 ASP 1592 H 0.01 0.08 -0.14 -0.55 8.40 7.80 3hrzC1 ASP 1592 HA 0.01 0.17 0.47 -0.75 4.63 4.54 3hrzC1 ASP 1592 HB2 -0.01 0.03 0.05 -0.04 2.71 2.75 3hrzC1 ASP 1592 HB3 -0.01 0.04 0.06 -0.04 2.70 2.74 3hrzC1 GLU 1593 H -0.01 0.09 -0.34 -0.55 8.60 7.79 3hrzC1 GLU 1593 HA -0.01 0.04 0.52 -0.75 4.29 4.07 3hrzC1 GLU 1593 HB2 -0.26 0.15 0.08 -0.04 2.09 2.02 3hrzC1 GLU 1593 HB3 -0.76 -0.01 0.04 -0.04 1.99 1.21 3hrzC1 GLU 1593 HG2 -0.18 0.02 0.05 -0.04 2.34 2.20 3hrzC1 GLU 1593 HG3 -0.07 -0.05 0.04 -0.04 2.34 2.21 3hrzC1 CYS 1594 H 0.02 0.40 -0.48 -0.55 8.50 7.89 3hrzC1 CYS 1594 HA 0.12 -0.00 0.18 -0.75 4.58 4.13 3hrzC1 CYS 1594 HB2 0.06 0.26 0.07 -0.04 2.97 3.32 3hrzC1 CYS 1594 HB3 0.08 -0.04 0.09 -0.04 2.97 3.06 3hrzC1 GLN 1595 H 0.07 0.16 -0.79 -0.55 8.47 7.36 3hrzC1 GLN 1595 HA 0.06 0.16 0.80 -0.75 4.36 4.63 3hrzC1 GLN 1595 HB2 0.04 0.03 0.03 -0.04 2.15 2.22 3hrzC1 GLN 1595 HB3 0.04 -0.05 0.06 -0.04 2.02 2.03 3hrzC1 GLN 1595 HG2 0.04 0.06 -0.06 -0.04 2.40 2.39 3hrzC1 GLN 1595 HG3 0.03 -0.04 0.00 -0.04 2.39 2.34 3hrzC1 GLN 1595 HE21 0.04 -0.01 -0.11 -0.04 6.97 6.85 3hrzC1 GLN 1595 HE22 0.04 0.10 -0.16 -0.04 7.69 7.63 3hrzC1 GLU 1596 H 0.12 0.23 0.03 -0.55 8.60 8.43 3hrzC1 GLU 1596 HA 0.08 0.09 0.56 -0.75 4.29 4.26 3hrzC1 GLU 1596 HB2 0.31 0.09 0.20 -0.04 2.09 2.65 3hrzC1 GLU 1596 HB3 0.14 -0.14 0.17 -0.04 1.99 2.12 3hrzC1 GLU 1596 HG2 0.09 0.02 0.09 -0.04 2.34 2.50 3hrzC1 GLU 1596 HG3 0.11 0.05 0.14 -0.04 2.34 2.60 3hrzC1 GLU 1597 H 0.04 0.17 0.22 -0.55 8.60 8.49 3hrzC1 GLU 1597 HA 0.04 0.14 0.52 -0.75 4.29 4.23 3hrzC1 GLU 1597 HB2 0.02 0.06 0.15 -0.04 2.09 2.28 3hrzC1 GLU 1597 HB3 0.01 -0.00 0.07 -0.04 1.99 2.03 3hrzC1 GLU 1597 HG2 -0.00 -0.01 0.10 -0.04 2.34 2.39 3hrzC1 GLU 1597 HG3 0.01 0.02 0.10 -0.04 2.34 2.43 3hrzC1 GLU 1598 H 0.01 0.02 -0.16 -0.55 8.60 7.94 3hrzC1 GLU 1598 HA -0.15 0.12 0.52 -0.75 4.29 4.03 3hrzC1 GLU 1598 HB2 -0.12 -0.01 0.11 -0.04 2.09 2.03 3hrzC1 GLU 1598 HB3 -0.18 -0.03 0.06 -0.04 1.99 1.80 3hrzC1 GLU 1598 HG2 -1.34 0.03 -0.17 -0.04 2.34 0.82 3hrzC1 GLU 1598 HG3 -0.37 0.02 0.07 -0.04 2.34 2.01 3hrzC1 PHE 1599 H 0.16 0.20 -0.34 -0.55 8.34 7.81 3hrzC1 PHE 1599 HA 0.04 0.21 0.82 -0.75 4.62 4.94 3hrzC1 PHE 1599 HB2 0.04 0.34 -0.09 -0.04 3.15 3.40 3hrzC1 PHE 1599 HB3 0.05 -0.05 -0.05 -0.04 3.06 2.97 3hrzC1 PHE 1599 HD2 0.04 0.03 0.00 -0.04 7.28 7.31 3hrzC1 PHE 1599 HE2 0.05 0.02 -0.02 -0.04 7.38 7.39 3hrzC1 PHE 1599 HZ 0.05 0.03 -0.03 -0.04 7.32 7.32 3hrzC1 GLN 1600 H 0.11 0.27 -0.12 -0.55 8.47 8.18 3hrzC1 GLN 1600 HA 0.10 0.21 0.33 -0.75 4.36 4.25 3hrzC1 GLN 1600 HB2 0.06 0.10 0.14 -0.04 2.15 2.41 3hrzC1 GLN 1600 HB3 0.04 -0.11 0.11 -0.04 2.02 2.02 3hrzC1 GLN 1600 HG2 0.04 -0.06 -0.05 -0.04 2.40 2.30 3hrzC1 GLN 1600 HG3 0.05 0.16 0.01 -0.04 2.39 2.57 3hrzC1 GLN 1600 HE21 0.02 -0.05 -0.00 -0.04 6.97 6.90 3hrzC1 GLN 1600 HE22 0.04 0.13 -0.03 -0.04 7.69 7.78 3hrzC1 LYS 1601 H 0.03 0.20 -0.11 -0.55 8.42 7.98 3hrzC1 LYS 1601 HA 0.03 0.07 0.44 -0.75 4.32 4.10 3hrzC1 LYS 1601 HB2 -0.00 0.07 0.10 -0.04 1.87 2.00 3hrzC1 LYS 1601 HB3 -0.01 -0.00 0.01 -0.04 1.79 1.75 3hrzC1 LYS 1601 HG2 0.00 0.00 0.04 -0.04 1.46 1.46 3hrzC1 LYS 1601 HG3 0.01 -0.01 -0.00 -0.04 1.46 1.42 3hrzC1 LYS 1601 HD2 -0.00 0.04 0.04 -0.04 1.69 1.73 3hrzC1 LYS 1601 HD3 -0.01 -0.00 0.01 -0.04 1.68 1.65 3hrzC1 LYS 1601 HE2 -0.00 -0.00 0.01 -0.04 2.99 2.95 3hrzC1 LYS 1601 HE3 0.01 -0.00 0.01 -0.04 2.99 2.96 3hrzC1 LEU 1602 H 0.04 0.17 -0.19 -0.55 8.37 7.85 3hrzC1 LEU 1602 HA -0.04 -0.05 0.53 -0.75 4.35 4.05 3hrzC1 LEU 1602 HB2 0.02 0.18 0.17 -0.04 1.64 1.98 3hrzC1 LEU 1602 HB3 0.17 0.07 0.14 -0.04 1.64 1.98 3hrzC1 LEU 1602 HG 0.32 -0.04 -0.14 -0.04 1.64 1.74 3hrzC1 LEU 1602 HD13 -0.16 -0.02 -0.13 -0.04 0.93 0.58 3hrzC1 LEU 1602 HD23 0.19 0.02 0.04 -0.04 0.89 1.10 3hrzC1 CYS 1603 H 0.14 0.74 -0.12 -0.55 8.50 8.71 3hrzC1 CYS 1603 HA 0.17 0.00 0.47 -0.75 4.58 4.48 3hrzC1 CYS 1603 HB2 0.12 0.27 0.17 -0.04 2.97 3.50 3hrzC1 CYS 1603 HB3 0.13 -0.05 -0.02 -0.04 2.97 2.99 3hrzC1 ASP 1604 H 0.07 0.43 -0.08 -0.55 8.40 8.27 3hrzC1 ASP 1604 HA 0.07 0.02 0.47 -0.75 4.63 4.44 3hrzC1 ASP 1604 HB2 0.02 0.15 0.23 -0.04 2.71 3.08 3hrzC1 ASP 1604 HB3 0.02 -0.05 0.02 -0.04 2.70 2.65 3hrzC1 ASP 1605 H -0.01 0.55 -0.12 -0.55 8.40 8.27 3hrzC1 ASP 1605 HA -0.03 -0.01 0.46 -0.75 4.63 4.30 3hrzC1 ASP 1605 HB2 -0.20 0.21 0.26 -0.04 2.71 2.93 3hrzC1 ASP 1605 HB3 -0.21 -0.07 0.09 -0.04 2.70 2.47 3hrzC1 PHE 1606 H -0.04 0.63 -0.04 -0.55 8.34 8.34 3hrzC1 PHE 1606 HA -0.33 -0.02 0.43 -0.75 4.62 3.95 3hrzC1 PHE 1606 HB2 -0.40 0.12 0.19 -0.04 3.15 3.01 3hrzC1 PHE 1606 HB3 -0.97 -0.03 -0.04 -0.04 3.06 1.98 3hrzC1 PHE 1606 HD2 -1.01 0.03 -0.06 -0.04 7.28 6.20 3hrzC1 PHE 1606 HE2 -0.34 -0.00 -0.04 -0.04 7.38 6.96 3hrzC1 PHE 1606 HZ -0.20 0.04 -0.15 -0.04 7.32 6.97 3hrzC1 ALA 1607 H 0.16 0.64 -0.15 -0.55 8.40 8.51 3hrzC1 ALA 1607 HA 0.31 -0.00 0.42 -0.75 4.34 4.32 3hrzC1 ALA 1607 HB3 0.15 0.02 0.10 -0.04 1.41 1.64 3hrzC1 GLN 1608 H 0.11 0.59 -0.11 -0.55 8.47 8.51 3hrzC1 GLN 1608 HA 0.18 0.02 0.54 -0.75 4.36 4.34 3hrzC1 GLN 1608 HB2 0.06 0.04 0.11 -0.04 2.15 2.33 3hrzC1 GLN 1608 HB3 0.07 0.07 0.16 -0.04 2.02 2.28 3hrzC1 GLN 1608 HG2 0.09 -0.02 -0.15 -0.04 2.40 2.28 3hrzC1 GLN 1608 HG3 0.10 -0.01 0.04 -0.04 2.39 2.48 3hrzC1 GLN 1608 HE21 0.01 -0.03 -0.00 -0.04 6.97 6.90 3hrzC1 GLN 1608 HE22 0.03 0.00 -0.05 -0.04 7.69 7.63 3hrzC1 PHE 1609 H 0.20 0.68 -0.02 -0.55 8.34 8.65 3hrzC1 PHE 1609 HA 0.01 -0.00 0.44 -0.75 4.62 4.31 3hrzC1 PHE 1609 HB2 -0.12 -0.05 0.06 -0.04 3.15 3.01 3hrzC1 PHE 1609 HB3 -0.07 0.11 0.18 -0.04 3.06 3.24 3hrzC1 PHE 1609 HD2 0.03 0.00 -0.14 -0.04 7.28 7.13 3hrzC1 PHE 1609 HE2 0.05 0.03 -0.30 -0.04 7.38 7.12 3hrzC1 PHE 1609 HZ 0.04 0.02 -0.13 -0.04 7.32 7.22 3hrzC1 SER 1610 H 0.39 0.65 -0.09 -0.55 8.46 8.86 3hrzC1 SER 1610 HA 0.17 -0.01 0.37 -0.75 4.49 4.26 3hrzC1 SER 1610 HB2 0.61 0.09 0.11 -0.04 3.95 4.73 3hrzC1 SER 1610 HB3 0.35 0.08 0.12 -0.04 3.93 4.44 3hrzC1 TYR 1611 H 0.28 0.62 -0.14 -0.55 8.29 8.50 3hrzC1 TYR 1611 HA 0.05 -0.01 0.35 -0.75 4.56 4.20 3hrzC1 TYR 1611 HB2 0.09 0.03 0.14 -0.04 3.06 3.27 3hrzC1 TYR 1611 HB3 0.09 0.03 0.19 -0.04 2.98 3.25 3hrzC1 TYR 1611 HD2 0.09 0.00 -0.05 -0.04 7.15 7.16 3hrzC1 TYR 1611 HE2 0.14 -0.01 -0.04 -0.04 6.85 6.90 3hrzC1 THR 1612 H 0.13 0.67 -0.12 -0.55 8.28 8.42 3hrzC1 THR 1612 HA 0.17 -0.03 0.39 -0.75 4.39 4.17 3hrzC1 THR 1612 HB -0.07 0.09 0.16 -0.04 4.32 4.47 3hrzC1 THR 1612 HG23 -0.04 -0.00 -0.11 -0.04 1.22 1.02 3hrzC1 LEU 1613 H -0.19 0.52 -0.12 -0.55 8.37 8.03 3hrzC1 LEU 1613 HA -0.14 0.06 0.26 -0.75 4.35 3.77 3hrzC1 LEU 1613 HB2 -0.31 0.07 0.11 -0.04 1.64 1.48 3hrzC1 LEU 1613 HB3 -0.16 0.10 -0.10 -0.04 1.64 1.44 3hrzC1 LEU 1613 HG -0.54 -0.02 -0.04 -0.04 1.64 1.00 3hrzC1 LEU 1613 HD13 -0.55 -0.02 -0.15 -0.04 0.93 0.17 3hrzC1 LEU 1613 HD23 -0.20 0.02 -0.20 -0.04 0.89 0.47 3hrzC1 THR 1614 H -0.09 0.59 0.04 -0.55 8.28 8.28 3hrzC1 THR 1614 HA -0.06 0.10 0.45 -0.75 4.39 4.12 3hrzC1 THR 1614 HB -0.03 -0.08 0.11 -0.04 4.32 4.28 3hrzC1 THR 1614 HG23 0.04 0.07 0.14 -0.04 1.22 1.42 3hrzC1 GLU 1615 H -0.29 0.39 -0.33 -0.55 8.60 7.82 3hrzC1 GLU 1615 HA -0.38 0.06 0.61 -0.75 4.29 3.84 3hrzC1 GLU 1615 HB2 -0.93 -0.07 0.09 -0.04 2.09 1.14 3hrzC1 GLU 1615 HB3 -0.99 0.09 0.14 -0.04 1.99 1.18 3hrzC1 GLU 1615 HG2 -1.10 -0.09 -0.04 -0.04 2.34 1.07 3hrzC1 GLU 1615 HG3 -1.54 0.02 -0.18 -0.04 2.34 0.60 3hrzC1 PHE 1616 H -0.11 0.60 0.18 -0.55 8.34 8.45 3hrzC1 PHE 1616 HA -0.10 0.11 0.93 -0.75 4.62 4.80 3hrzC1 PHE 1616 HB2 -0.12 0.15 0.09 -0.04 3.15 3.23 3hrzC1 PHE 1616 HB3 -0.08 -0.06 0.05 -0.04 3.06 2.93 3hrzC1 PHE 1616 HD2 -0.13 0.06 0.06 -0.04 7.28 7.22 3hrzC1 PHE 1616 HE2 -0.03 -0.05 -0.05 -0.04 7.38 7.21 3hrzC1 PHE 1616 HZ 0.06 -0.06 -0.04 -0.04 7.32 7.24 3hrzC1 GLY 1617 H -0.04 0.24 0.15 -0.55 8.43 8.23 3hrzC1 GLY 1617 HA2 -0.06 0.13 0.42 -0.51 4.01 3.99 3hrzC1 GLY 1617 HA3 -0.03 0.06 0.66 -0.51 4.01 4.19 3hrzC1 CYS 1618 H -0.06 0.07 0.14 -0.55 8.50 8.09 3hrzC1 CYS 1618 HA -0.10 0.05 0.46 -0.75 4.58 4.24 3hrzC1 CYS 1618 HB2 -0.07 0.04 0.06 -0.04 2.97 2.96 3hrzC1 CYS 1618 HB3 -0.09 -0.05 0.09 -0.04 2.97 2.88 3hrzC1 PRO 1619 HA -0.05 0.17 0.38 -0.51 4.44 4.42 3hrzC1 PRO 1619 HB2 -0.06 -0.03 -0.09 -0.04 2.28 2.06 3hrzC1 PRO 1619 HB3 -0.07 -0.00 0.04 -0.04 2.02 1.95 3hrzC1 PRO 1619 HG2 -0.08 -0.01 0.01 -0.04 2.03 1.91 3hrzC1 PRO 1619 HG3 -0.08 0.02 0.01 -0.04 2.03 1.94 3hrzC1 PRO 1619 HD2 -0.09 0.07 0.13 -0.04 3.68 3.76 3hrzC1 PRO 1619 HD3 -0.10 0.14 0.16 -0.04 3.65 3.80 3hrzC1 THR 1620 H -0.06 0.15 -0.21 -0.55 8.28 7.62 3hrzC1 THR 1620 HA -0.03 0.30 0.83 -0.75 4.39 4.73 3hrzC1 THR 1620 HB -0.03 -0.00 0.03 -0.04 4.32 4.27 3hrzC1 THR 1620 HG23 -0.04 -0.01 -0.23 -0.04 1.22 0.90