============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 7 rings ring int. center anis. iso. PHE 10 1.000 4.502 19.329 -22.400 -99.200 -91.000 PHE 43 1.000 2.652 26.635 -20.933 -99.200 -91.000 PHE 46 1.000 5.480 21.811 -26.476 -99.200 -91.000 TYR 54 0.840 0.443 22.201 -24.465 -99.200 -91.000 HIS 96 0.900 0.575 21.020 0.157 -99.200 -91.000 TYR 97 0.840 -0.348 19.254 -4.634 -99.200 -91.000 PHE 108 1.000 -5.879 18.959 -16.619 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3kuzA1 GLN 1196 HA 0.01 -0.11 0.22 -0.75 4.36 3.73 3kuzA1 GLY 1197 H 0.01 0.02 0.13 -0.55 8.43 8.04 3kuzA1 GLY 1197 HA2 0.01 0.16 0.77 -0.51 4.01 4.44 3kuzA1 GLY 1197 HA3 0.01 0.04 0.34 -0.51 4.01 3.89 3kuzA1 THR 1198 H 0.01 0.17 0.19 -0.55 8.28 8.10 3kuzA1 THR 1198 HA 0.01 0.25 0.85 -0.75 4.39 4.75 3kuzA1 THR 1198 HB 0.01 -0.02 0.13 -0.04 4.32 4.39 3kuzA1 THR 1198 HG23 0.01 -0.00 -0.11 -0.04 1.22 1.08 3kuzA1 VAL 1199 H 0.01 0.59 0.17 -0.55 8.24 8.46 3kuzA1 VAL 1199 HA 0.01 0.15 0.81 -0.75 4.13 4.35 3kuzA1 VAL 1199 HB 0.01 -0.07 -0.12 -0.04 2.12 1.90 3kuzA1 VAL 1199 HG13 0.01 0.02 -0.47 -0.04 0.97 0.49 3kuzA1 VAL 1199 HG23 0.02 0.01 -0.32 -0.04 0.95 0.62 3kuzA1 ALA 1200 H 0.01 0.14 0.06 -0.55 8.40 8.06 3kuzA1 ALA 1200 HA 0.01 0.13 0.52 -0.75 4.34 4.25 3kuzA1 ALA 1200 HB3 0.01 0.01 0.03 -0.04 1.41 1.42 3kuzA1 LEU 1201 H 0.01 0.75 0.30 -0.55 8.37 8.89 3kuzA1 LEU 1201 HA -0.00 0.18 0.90 -0.75 4.35 4.67 3kuzA1 LEU 1201 HB2 -0.00 -0.02 0.06 -0.04 1.64 1.64 3kuzA1 LEU 1201 HB3 -0.02 0.04 -0.10 -0.04 1.64 1.52 3kuzA1 LEU 1201 HG 0.00 0.08 -0.18 -0.04 1.64 1.50 3kuzA1 LEU 1201 HD13 -0.01 -0.02 -0.14 -0.04 0.93 0.72 3kuzA1 LEU 1201 HD23 -0.00 -0.00 -0.24 -0.04 0.89 0.60 3kuzA1 ASN 1202 H -0.00 0.64 0.07 -0.55 8.53 8.70 3kuzA1 ASN 1202 HA 0.02 0.07 0.71 -0.75 4.76 4.80 3kuzA1 ASN 1202 HB2 0.00 0.13 0.03 -0.04 2.88 3.00 3kuzA1 ASN 1202 HB3 0.01 -0.01 -0.04 -0.04 2.79 2.71 3kuzA1 ASN 1202 HD21 0.01 -0.06 -0.01 -0.04 7.03 6.93 3kuzA1 ASN 1202 HD22 0.01 0.36 0.00 -0.04 7.74 8.07 3kuzA1 VAL 1203 H 0.03 0.75 0.29 -0.55 8.24 8.76 3kuzA1 VAL 1203 HA -0.09 0.17 0.77 -0.75 4.13 4.23 3kuzA1 VAL 1203 HB 0.02 0.02 0.12 -0.04 2.12 2.23 3kuzA1 VAL 1203 HG13 -0.59 -0.01 -0.15 -0.04 0.97 0.17 3kuzA1 VAL 1203 HG23 -0.04 0.00 -0.11 -0.04 0.95 0.77 3kuzA1 VAL 1204 H -0.11 0.65 0.42 -0.55 8.24 8.65 3kuzA1 VAL 1204 HA 0.10 0.34 1.11 -0.75 4.13 4.93 3kuzA1 VAL 1204 HB -0.00 -0.08 0.15 -0.04 2.12 2.14 3kuzA1 VAL 1204 HG13 0.07 0.01 -0.09 -0.04 0.97 0.91 3kuzA1 VAL 1204 HG23 0.02 0.00 -0.10 -0.04 0.95 0.83 3kuzA1 PHE 1205 H 0.41 0.66 0.31 -0.55 8.34 9.17 3kuzA1 PHE 1205 HA -0.02 0.04 0.93 -0.75 4.62 4.82 3kuzA1 PHE 1205 HB2 0.19 -0.01 0.12 -0.04 3.15 3.41 3kuzA1 PHE 1205 HB3 0.07 0.06 -0.02 -0.04 3.06 3.13 3kuzA1 PHE 1205 HD2 -0.55 0.11 -0.07 -0.04 7.28 6.73 3kuzA1 PHE 1205 HE2 -0.07 -0.04 -0.15 -0.04 7.38 7.09 3kuzA1 PHE 1205 HZ 0.13 0.10 -0.05 -0.04 7.32 7.45 3kuzA1 GLU 1206 H 0.20 0.41 0.25 -0.55 8.60 8.92 3kuzA1 GLU 1206 HA 0.15 0.01 0.55 -0.75 4.29 4.24 3kuzA1 GLU 1206 HB2 0.18 0.13 0.27 -0.04 2.09 2.63 3kuzA1 GLU 1206 HB3 0.25 -0.11 0.11 -0.04 1.99 2.19 3kuzA1 GLU 1206 HG2 0.11 0.22 -0.15 -0.04 2.34 2.48 3kuzA1 GLU 1206 HG3 0.11 -0.02 0.07 -0.04 2.34 2.46 3kuzA1 LYS 1207 H 0.12 0.09 0.19 -0.55 8.42 8.27 3kuzA1 LYS 1207 HA 0.11 0.08 0.55 -0.75 4.32 4.31 3kuzA1 ILE 1208 H -0.02 0.26 0.24 -0.55 8.25 8.18 3kuzA1 ILE 1208 HA -0.01 0.19 0.75 -0.75 4.18 4.35 3kuzA1 ILE 1208 HB -0.09 -0.05 0.07 -0.04 1.89 1.78 3kuzA1 ILE 1208 HG12 -0.37 0.13 0.02 -0.04 1.49 1.24 3kuzA1 ILE 1208 HG13 -0.29 -0.16 -0.15 -0.04 1.21 0.57 3kuzA1 ILE 1208 HG23 0.02 0.04 -0.25 -0.04 0.93 0.69 3kuzA1 ILE 1208 HD13 -0.57 0.02 -0.15 -0.04 0.88 0.14 3kuzA1 PRO 1209 HA -0.03 0.14 0.38 -0.51 4.44 4.42 3kuzA1 PRO 1209 HB2 -0.03 0.06 0.01 -0.04 2.28 2.28 3kuzA1 PRO 1209 HB3 -0.02 0.01 0.08 -0.04 2.02 2.05 3kuzA1 PRO 1209 HG2 -0.04 0.03 0.03 -0.04 2.03 2.02 3kuzA1 PRO 1209 HG3 -0.02 0.04 0.06 -0.04 2.03 2.07 3kuzA1 PRO 1209 HD2 -0.04 0.07 0.19 -0.04 3.68 3.86 3kuzA1 PRO 1209 HD3 -0.02 0.16 0.18 -0.04 3.65 3.94 3kuzA1 GLU 1210 H -0.11 0.01 -0.24 -0.55 8.60 7.72 3kuzA1 GLU 1210 HA -0.08 0.11 0.57 -0.75 4.29 4.14 3kuzA1 GLU 1210 HB2 -0.20 -0.05 -0.07 -0.04 2.09 1.72 3kuzA1 GLU 1210 HB3 -0.16 0.02 0.02 -0.04 1.99 1.83 3kuzA1 GLU 1210 HG2 -0.08 0.02 -0.04 -0.04 2.34 2.20 3kuzA1 GLU 1210 HG3 -0.07 0.03 -0.02 -0.04 2.34 2.24 3kuzA1 ASN 1211 H -0.14 0.24 -0.36 -0.55 8.53 7.72 3kuzA1 ASN 1211 HA -0.13 0.21 0.63 -0.75 4.76 4.71 3kuzA1 ASN 1211 HB2 -0.03 0.09 0.06 -0.04 2.88 2.96 3kuzA1 ASN 1211 HB3 0.04 -0.11 0.11 -0.04 2.79 2.79 3kuzA1 ASN 1211 HD21 -0.87 -0.13 0.04 -0.04 7.03 6.04 3kuzA1 ASN 1211 HD22 -0.45 0.48 0.09 -0.04 7.74 7.82 3kuzA1 GLU 1212 H 0.02 0.12 0.10 -0.55 8.60 8.29 3kuzA1 GLU 1212 HA -0.02 0.10 0.29 -0.75 4.29 3.90 3kuzA1 SER 1213 H 0.01 0.10 0.01 -0.55 8.46 8.03 3kuzA1 SER 1213 HA -0.00 0.24 0.71 -0.75 4.49 4.69 3kuzA1 ALA 1214 H 0.00 0.16 0.13 -0.55 8.40 8.15 3kuzA1 ALA 1214 HA 0.02 0.22 0.78 -0.75 4.34 4.61 3kuzA1 ALA 1214 HB3 0.01 0.02 0.08 -0.04 1.41 1.47 3kuzA1 ASP 1215 H 0.00 -0.01 -0.09 -0.55 8.40 7.75 3kuzA1 ASP 1215 HA 0.00 0.17 0.59 -0.75 4.63 4.64 3kuzA1 ASP 1215 HB2 -0.01 -0.04 0.03 -0.04 2.71 2.64 3kuzA1 ASP 1215 HB3 -0.02 0.04 0.04 -0.04 2.70 2.73 3kuzA1 VAL 1216 H 0.01 0.02 -0.44 -0.55 8.24 7.28 3kuzA1 VAL 1216 HA -0.08 0.04 0.34 -0.75 4.13 3.69 3kuzA1 VAL 1216 HB -0.07 0.11 -0.07 -0.04 2.12 2.04 3kuzA1 VAL 1216 HG13 0.03 -0.02 0.02 -0.04 0.97 0.95 3kuzA1 VAL 1216 HG23 0.11 0.01 -0.14 -0.04 0.95 0.89 3kuzA1 CYS 1217 H -0.18 0.12 0.13 -0.55 8.50 8.03 3kuzA1 CYS 1217 HA -0.03 0.08 0.71 -0.75 4.58 4.58 3kuzA1 CYS 1217 HB2 -0.08 0.05 0.12 -0.04 2.97 3.02 3kuzA1 CYS 1217 HB3 -0.18 0.01 0.13 -0.04 2.97 2.89 3kuzA1 ARG 1218 H 0.05 0.16 0.17 -0.55 8.46 8.29 3kuzA1 ARG 1218 HA 0.17 0.15 0.71 -0.75 4.34 4.62 3kuzA1 ARG 1218 HB2 0.14 0.01 0.08 -0.04 1.90 2.09 3kuzA1 ARG 1218 HB3 0.27 0.06 0.22 -0.04 1.80 2.31 3kuzA1 ARG 1218 HG2 0.29 -0.02 -0.17 -0.04 1.67 1.72 3kuzA1 ARG 1218 HG3 0.13 0.12 -0.35 -0.04 1.67 1.53 3kuzA1 ASN 1219 H 0.08 0.09 -0.06 -0.55 8.53 8.09 3kuzA1 ASN 1219 HA 0.16 0.40 1.09 -0.75 4.76 5.66 3kuzA1 ASN 1219 HB2 0.05 -0.05 0.18 -0.04 2.88 3.02 3kuzA1 ASN 1219 HB3 0.06 0.01 0.00 -0.04 2.79 2.82 3kuzA1 ASN 1219 HD21 0.06 0.03 -0.06 -0.04 7.03 7.03 3kuzA1 ASN 1219 HD22 0.06 -0.06 -0.02 -0.04 7.74 7.68 3kuzA1 ILE 1220 H 0.18 0.66 0.23 -0.55 8.25 8.77 3kuzA1 ILE 1220 HA 0.06 0.16 0.93 -0.75 4.18 4.58 3kuzA1 ILE 1220 HB 0.29 -0.04 -0.09 -0.04 1.89 2.02 3kuzA1 ILE 1220 HG12 -0.00 0.05 -0.27 -0.04 1.49 1.23 3kuzA1 ILE 1220 HG13 0.12 -0.14 -0.57 -0.04 1.21 0.58 3kuzA1 ILE 1220 HG23 0.07 0.03 -0.20 -0.04 0.93 0.78 3kuzA1 ILE 1220 HD13 -0.14 0.05 -0.13 -0.04 0.88 0.62 3kuzA1 SER 1221 H 0.04 0.16 0.18 -0.55 8.46 8.30 3kuzA1 SER 1221 HA 0.04 0.32 1.02 -0.75 4.49 5.11 3kuzA1 SER 1221 HB2 0.02 0.00 0.06 -0.04 3.95 4.00 3kuzA1 SER 1221 HB3 0.02 -0.01 0.11 -0.04 3.93 4.01 3kuzA1 VAL 1222 H 0.03 0.67 0.33 -0.55 8.24 8.73 3kuzA1 VAL 1222 HA 0.05 0.12 0.84 -0.75 4.13 4.38 3kuzA1 VAL 1222 HB 0.04 -0.04 0.06 -0.04 2.12 2.14 3kuzA1 VAL 1222 HG13 0.06 0.02 -0.25 -0.04 0.97 0.75 3kuzA1 VAL 1222 HG23 0.13 0.03 -0.27 -0.04 0.95 0.79 3kuzA1 ASN 1223 H 0.03 0.16 0.12 -0.55 8.53 8.29 3kuzA1 ASN 1223 HA 0.02 0.17 0.78 -0.75 4.76 4.97 3kuzA1 ASN 1223 HB2 0.02 0.00 0.10 -0.04 2.88 2.96 3kuzA1 ASN 1223 HB3 0.02 0.04 -0.06 -0.04 2.79 2.75 3kuzA1 ASN 1223 HD21 0.01 0.01 -0.04 -0.04 7.03 6.98 3kuzA1 ASN 1223 HD22 0.01 0.02 -0.02 -0.04 7.74 7.71 3kuzA1 VAL 1224 H 0.01 0.49 0.31 -0.55 8.24 8.50 3kuzA1 VAL 1224 HA 0.01 0.13 0.45 -0.75 4.13 3.97 3kuzA1 VAL 1224 HB 0.01 -0.10 0.15 -0.04 2.12 2.14 3kuzA1 VAL 1224 HG13 0.01 0.01 -0.17 -0.04 0.97 0.78 3kuzA1 VAL 1224 HG23 0.01 0.04 -0.13 -0.04 0.95 0.83 3kuzA1 LEU 1225 H 0.01 0.18 0.18 -0.55 8.37 8.21 3kuzA1 LEU 1225 HA 0.01 0.36 0.93 -0.75 4.35 4.91 3kuzA1 LEU 1225 HB2 0.01 -0.10 0.07 -0.04 1.64 1.58 3kuzA1 LEU 1225 HB3 0.01 -0.02 0.02 -0.04 1.64 1.61 3kuzA1 LEU 1225 HG 0.01 -0.05 -0.27 -0.04 1.64 1.29 3kuzA1 LEU 1225 HD13 0.01 0.02 -0.07 -0.04 0.93 0.84 3kuzA1 LEU 1225 HD23 0.01 0.05 -0.20 -0.04 0.89 0.70 3kuzA1 ASP 1226 H 0.02 0.75 0.25 -0.55 8.40 8.86 3kuzA1 ASP 1226 HA 0.03 0.05 0.41 -0.75 4.63 4.36 3kuzA1 ASP 1226 HB2 0.02 -0.03 0.09 -0.04 2.71 2.75 3kuzA1 ASP 1226 HB3 0.02 0.11 0.05 -0.04 2.70 2.84 3kuzA1 CYS 1227 H 0.02 0.10 -0.21 -0.55 8.50 7.86 3kuzA1 CYS 1227 HA 0.02 0.15 0.72 -0.75 4.58 4.71 3kuzA1 CYS 1227 HB2 0.01 0.02 0.02 -0.04 2.97 2.97 3kuzA1 CYS 1227 HB3 0.01 0.04 0.10 -0.04 2.97 3.08 3kuzA1 ASP 1228 H 0.02 0.30 -0.32 -0.55 8.40 7.85 3kuzA1 ASP 1228 HA 0.01 0.02 0.43 -0.75 4.63 4.34 3kuzA1 ASP 1228 HB2 0.02 0.21 0.19 -0.04 2.71 3.08 3kuzA1 ASP 1228 HB3 0.01 0.10 -0.09 -0.04 2.70 2.67 3kuzA1 THR 1229 H 0.00 0.07 0.21 -0.55 8.28 8.02 3kuzA1 THR 1229 HA 0.02 0.33 0.63 -0.75 4.39 4.61 3kuzA1 THR 1229 HB -0.01 0.05 0.19 -0.04 4.32 4.51 3kuzA1 THR 1229 HG23 -0.01 0.06 0.06 -0.04 1.22 1.29 3kuzA1 ILE 1230 H 0.03 0.57 0.18 -0.55 8.25 8.48 3kuzA1 ILE 1230 HA 0.01 0.10 0.33 -0.75 4.18 3.86 3kuzA1 ILE 1230 HB 0.03 -0.09 -0.14 -0.04 1.89 1.65 3kuzA1 ILE 1230 HG12 0.18 0.18 -0.29 -0.04 1.49 1.52 3kuzA1 ILE 1230 HG13 0.13 -0.02 -0.40 -0.04 1.21 0.87 3kuzA1 ILE 1230 HG23 -0.03 0.03 -0.31 -0.04 0.93 0.57 3kuzA1 ILE 1230 HD13 0.10 0.01 -0.29 -0.04 0.88 0.65 3kuzA1 GLY 1231 H -0.02 0.10 -0.16 -0.55 8.43 7.81 3kuzA1 GLY 1231 HA2 -0.07 0.12 0.38 -0.51 4.01 3.93 3kuzA1 GLY 1231 HA3 -0.04 0.07 0.25 -0.51 4.01 3.77 3kuzA1 GLN 1232 H -0.02 0.04 -0.20 -0.55 8.47 7.75 3kuzA1 GLN 1232 HA -0.03 0.07 0.52 -0.75 4.36 4.17 3kuzA1 GLN 1232 HB2 -0.01 0.08 0.11 -0.04 2.15 2.28 3kuzA1 GLN 1232 HB3 -0.00 0.04 0.01 -0.04 2.02 2.02 3kuzA1 GLN 1232 HG2 -0.01 0.07 0.06 -0.04 2.40 2.48 3kuzA1 GLN 1232 HG3 -0.01 -0.07 0.09 -0.04 2.39 2.36 3kuzA1 GLN 1232 HE21 -0.00 0.05 0.01 -0.04 6.97 6.99 3kuzA1 GLN 1232 HE22 -0.00 0.03 0.02 -0.04 7.69 7.70 3kuzA1 ALA 1233 H -0.02 0.48 -0.39 -0.55 8.40 7.93 3kuzA1 ALA 1233 HA -0.01 0.02 0.36 -0.75 4.34 3.96 3kuzA1 ALA 1233 HB3 -0.02 0.05 0.00 -0.04 1.41 1.40 3kuzA1 LYS 1234 H -0.08 0.53 -0.15 -0.55 8.42 8.17 3kuzA1 LYS 1234 HA -0.12 0.04 0.43 -0.75 4.32 3.91 3kuzA1 LYS 1234 HB2 -0.17 0.16 0.17 -0.04 1.87 1.99 3kuzA1 LYS 1234 HB3 -0.34 -0.06 -0.03 -0.04 1.79 1.32 3kuzA1 LYS 1234 HG2 -0.14 -0.04 -0.03 -0.04 1.46 1.21 3kuzA1 LYS 1234 HG3 -0.12 0.07 -0.04 -0.04 1.46 1.33 3kuzA1 LYS 1234 HD2 -0.28 -0.07 -0.01 -0.04 1.69 1.30 3kuzA1 LYS 1234 HD3 -0.19 0.01 -0.12 -0.04 1.68 1.34 3kuzA1 LYS 1234 HE2 -0.11 -0.14 -0.06 -0.04 2.99 2.64 3kuzA1 LYS 1234 HE3 -0.14 0.14 -0.01 -0.04 2.99 2.95 3kuzA1 GLU 1235 H -0.09 0.43 -0.19 -0.55 8.60 8.21 3kuzA1 GLU 1235 HA -0.11 0.01 0.44 -0.75 4.29 3.88 3kuzA1 GLU 1235 HB2 -0.01 0.12 0.08 -0.04 2.09 2.25 3kuzA1 GLU 1235 HB3 0.01 -0.03 0.01 -0.04 1.99 1.94 3kuzA1 GLU 1235 HG2 -0.05 -0.05 0.04 -0.04 2.34 2.24 3kuzA1 GLU 1235 HG3 -0.06 0.16 0.09 -0.04 2.34 2.50 3kuzA1 LYS 1236 H -0.00 0.45 -0.22 -0.55 8.42 8.09 3kuzA1 LYS 1236 HA 0.06 0.01 0.46 -0.75 4.32 4.09 3kuzA1 LYS 1236 HB2 0.02 0.14 0.17 -0.04 1.87 2.15 3kuzA1 LYS 1236 HB3 0.04 0.06 0.04 -0.04 1.79 1.89 3kuzA1 LYS 1236 HG2 0.03 -0.04 0.05 -0.04 1.46 1.46 3kuzA1 LYS 1236 HG3 0.02 0.04 0.07 -0.04 1.46 1.54 3kuzA1 LYS 1236 HD2 0.01 -0.09 0.05 -0.04 1.69 1.63 3kuzA1 LYS 1236 HD3 0.02 0.22 0.08 -0.04 1.68 1.96 3kuzA1 LYS 1236 HE2 0.02 0.02 -0.02 -0.04 2.99 2.96 3kuzA1 LYS 1236 HE3 0.01 -0.04 -0.03 -0.04 2.99 2.90 3kuzA1 ILE 1237 H 0.05 0.34 -0.34 -0.55 8.25 7.75 3kuzA1 ILE 1237 HA 0.17 0.06 0.37 -0.75 4.18 4.02 3kuzA1 ILE 1237 HB 0.04 0.07 0.14 -0.04 1.89 2.10 3kuzA1 ILE 1237 HG12 0.01 -0.02 -0.07 -0.04 1.49 1.37 3kuzA1 ILE 1237 HG13 0.01 0.14 -0.03 -0.04 1.21 1.30 3kuzA1 ILE 1237 HG23 0.04 -0.01 -0.13 -0.04 0.93 0.79 3kuzA1 ILE 1237 HD13 -0.08 -0.03 -0.17 -0.04 0.88 0.55 3kuzA1 PHE 1238 H 0.27 0.49 -0.13 -0.55 8.34 8.41 3kuzA1 PHE 1238 HA 0.13 0.02 0.37 -0.75 4.62 4.39 3kuzA1 PHE 1238 HB2 0.04 0.12 0.20 -0.04 3.15 3.48 3kuzA1 PHE 1238 HB3 0.06 -0.03 -0.06 -0.04 3.06 2.99 3kuzA1 PHE 1238 HD2 0.03 -0.02 -0.05 -0.04 7.28 7.20 3kuzA1 PHE 1238 HE2 -0.03 0.02 -0.10 -0.04 7.38 7.24 3kuzA1 PHE 1238 HZ 0.08 0.04 -0.40 -0.04 7.32 7.01 3kuzA1 GLN 1239 H 0.21 0.65 -0.06 -0.55 8.47 8.73 3kuzA1 GLN 1239 HA 0.13 -0.00 0.43 -0.75 4.36 4.17 3kuzA1 GLN 1239 HB2 0.10 0.01 0.12 -0.04 2.15 2.34 3kuzA1 GLN 1239 HB3 0.10 0.11 0.15 -0.04 2.02 2.33 3kuzA1 GLN 1239 HG2 0.05 -0.02 -0.01 -0.04 2.40 2.38 3kuzA1 GLN 1239 HG3 0.06 0.01 -0.18 -0.04 2.39 2.23 3kuzA1 GLN 1239 HE21 0.05 -0.00 -0.00 -0.04 6.97 6.98 3kuzA1 GLN 1239 HE22 0.06 0.00 0.01 -0.04 7.69 7.72 3kuzA1 ALA 1240 H 0.16 0.51 -0.34 -0.55 8.40 8.18 3kuzA1 ALA 1240 HA 0.06 -0.01 0.31 -0.75 4.34 3.95 3kuzA1 ALA 1240 HB3 0.12 0.03 0.06 -0.04 1.41 1.59 3kuzA1 PHE 1241 H 0.28 0.51 -0.13 -0.55 8.34 8.44 3kuzA1 PHE 1241 HA -0.21 0.05 0.55 -0.75 4.62 4.26 3kuzA1 PHE 1241 HB2 -0.36 0.03 0.13 -0.04 3.15 2.91 3kuzA1 PHE 1241 HB3 -0.15 0.07 0.18 -0.04 3.06 3.12 3kuzA1 PHE 1241 HD2 -1.13 0.01 -0.14 -0.04 7.28 5.98 3kuzA1 PHE 1241 HE2 -0.24 0.10 -0.26 -0.04 7.38 6.94 3kuzA1 PHE 1241 HZ -0.08 -0.03 -0.07 -0.04 7.32 7.09 3kuzA1 LEU 1242 H 0.16 0.52 -0.17 -0.55 8.37 8.34 3kuzA1 LEU 1242 HA 0.07 0.14 0.27 -0.75 4.35 4.07 3kuzA1 LEU 1242 HB2 0.10 -0.07 0.01 -0.04 1.64 1.64 3kuzA1 LEU 1242 HB3 0.08 0.12 0.14 -0.04 1.64 1.94 3kuzA1 LEU 1242 HG 0.03 0.03 -0.28 -0.04 1.64 1.37 3kuzA1 LEU 1242 HD13 0.03 -0.02 -0.31 -0.04 0.93 0.59 3kuzA1 LEU 1242 HD23 0.05 -0.02 -0.07 -0.04 0.89 0.80 3kuzA1 SER 1243 H 0.02 0.65 0.02 -0.55 8.46 8.61 3kuzA1 SER 1243 HA -0.01 0.00 0.44 -0.75 4.49 4.17 3kuzA1 SER 1243 HB2 0.00 0.06 0.09 -0.04 3.95 4.06 3kuzA1 SER 1243 HB3 -0.00 -0.04 0.04 -0.04 3.93 3.88 3kuzA1 LYS 1244 H -0.11 0.40 -0.41 -0.55 8.42 7.74 3kuzA1 LYS 1244 HA -0.08 0.05 0.60 -0.75 4.32 4.14 3kuzA1 LYS 1244 HB2 -0.09 -0.03 0.11 -0.04 1.87 1.81 3kuzA1 LYS 1244 HB3 -0.26 0.13 0.21 -0.04 1.79 1.83 3kuzA1 LYS 1244 HG2 -0.15 -0.03 -0.02 -0.04 1.46 1.22 3kuzA1 LYS 1244 HG3 -0.17 -0.02 -0.14 -0.04 1.46 1.09 3kuzA1 LYS 1244 HD2 -0.07 0.01 0.10 -0.04 1.69 1.69 3kuzA1 LYS 1244 HD3 -0.05 -0.03 0.04 -0.04 1.68 1.61 3kuzA1 LYS 1244 HE2 -0.05 0.00 0.03 -0.04 2.99 2.93 3kuzA1 LYS 1244 HE3 -0.07 -0.01 0.04 -0.04 2.99 2.91 3kuzA1 ASN 1245 H -0.29 0.58 0.10 -0.55 8.53 8.37 3kuzA1 ASN 1245 HA -0.21 0.09 0.52 -0.75 4.76 4.42 3kuzA1 ASN 1245 HB2 -0.70 0.27 0.18 -0.04 2.88 2.58 3kuzA1 ASN 1245 HB3 -0.30 -0.10 0.12 -0.04 2.79 2.47 3kuzA1 ASN 1245 HD21 -0.97 0.67 0.16 -0.04 7.03 6.85 3kuzA1 ASN 1245 HD22 -3.09 -0.00 0.07 -0.04 7.74 4.68 3kuzA1 GLY 1246 H -0.09 0.35 -0.24 -0.55 8.43 7.90 3kuzA1 GLY 1246 HA2 -0.03 0.04 0.30 -0.51 4.01 3.81 3kuzA1 GLY 1246 HA3 -0.04 0.01 0.52 -0.51 4.01 3.99 3kuzA1 SER 1247 H -0.04 0.20 -0.31 -0.55 8.46 7.76 3kuzA1 SER 1247 HA 0.02 0.11 0.66 -0.75 4.49 4.53 3kuzA1 SER 1247 HB2 0.03 0.02 0.06 -0.04 3.95 4.02 3kuzA1 SER 1247 HB3 0.01 0.05 -0.16 -0.04 3.93 3.79 3kuzA1 PRO 1248 HA 0.11 0.09 0.41 -0.51 4.44 4.54 3kuzA1 PRO 1248 HB2 -0.12 -0.11 0.01 -0.04 2.28 2.02 3kuzA1 PRO 1248 HB3 -0.02 0.02 0.06 -0.04 2.02 2.04 3kuzA1 PRO 1248 HG2 -0.05 0.08 -0.05 -0.04 2.03 1.98 3kuzA1 PRO 1248 HG3 -0.01 0.04 0.03 -0.04 2.03 2.04 3kuzA1 PRO 1248 HD2 0.01 0.13 0.14 -0.04 3.68 3.91 3kuzA1 PRO 1248 HD3 0.01 0.14 0.17 -0.04 3.65 3.93 3kuzA1 TYR 1249 H -0.41 0.08 0.13 -0.55 8.29 7.55 3kuzA1 TYR 1249 HA -1.21 0.13 0.46 -0.75 4.56 3.18 3kuzA1 TYR 1249 HB2 -1.19 0.03 0.11 -0.04 3.06 1.97 3kuzA1 TYR 1249 HB3 -0.99 -0.09 0.08 -0.04 2.98 1.94 3kuzA1 TYR 1249 HD2 -0.78 -0.01 -0.07 -0.04 7.15 6.25 3kuzA1 TYR 1249 HE2 0.02 0.05 -0.13 -0.04 6.85 6.74 3kuzA1 GLY 1250 H -0.30 0.05 -0.08 -0.55 8.43 7.55 3kuzA1 GLY 1250 HA2 -0.15 0.02 0.12 -0.51 4.01 3.50 3kuzA1 GLY 1250 HA3 -0.26 0.36 0.55 -0.51 4.01 4.16 3kuzA1 LEU 1251 H -0.17 0.06 -0.14 -0.55 8.37 7.57 3kuzA1 LEU 1251 HA -0.01 0.21 0.82 -0.75 4.35 4.61 3kuzA1 LEU 1251 HB2 0.19 -0.00 -0.14 -0.04 1.64 1.65 3kuzA1 LEU 1251 HB3 0.08 -0.05 0.05 -0.04 1.64 1.68 3kuzA1 LEU 1251 HG -0.19 -0.00 -0.22 -0.04 1.64 1.18 3kuzA1 LEU 1251 HD13 0.07 0.02 -0.12 -0.04 0.93 0.86 3kuzA1 LEU 1251 HD23 -0.04 0.03 -0.05 -0.04 0.89 0.78 3kuzA1 GLN 1252 H 0.08 0.14 0.12 -0.55 8.47 8.26 3kuzA1 GLN 1252 HA 0.21 0.18 0.69 -0.75 4.36 4.69 3kuzA1 GLN 1252 HB2 0.05 -0.01 0.08 -0.04 2.15 2.23 3kuzA1 GLN 1252 HB3 0.05 -0.07 0.12 -0.04 2.02 2.07 3kuzA1 GLN 1252 HG2 0.06 0.06 -0.01 -0.04 2.40 2.46 3kuzA1 GLN 1252 HG3 0.05 0.02 -0.03 -0.04 2.39 2.39 3kuzA1 GLN 1252 HE21 0.01 0.03 -0.00 -0.04 6.97 6.96 3kuzA1 GLN 1252 HE22 0.02 0.05 -0.02 -0.04 7.69 7.70 3kuzA1 LEU 1253 H 0.02 0.18 0.15 -0.55 8.37 8.18 3kuzA1 LEU 1253 HA -0.30 0.14 0.39 -0.75 4.35 3.82 3kuzA1 LEU 1253 HB2 -0.13 -0.03 0.14 -0.04 1.64 1.58 3kuzA1 LEU 1253 HB3 -0.24 0.04 0.04 -0.04 1.64 1.43 3kuzA1 LEU 1253 HG -0.30 -0.01 0.05 -0.04 1.64 1.34 3kuzA1 LEU 1253 HD13 -0.19 0.01 -0.02 -0.04 0.93 0.69 3kuzA1 LEU 1253 HD23 -1.48 0.01 -0.11 -0.04 0.89 -0.73 3kuzA1 ASN 1254 H -0.02 0.03 -0.13 -0.55 8.53 7.86 3kuzA1 ASN 1254 HA -0.05 0.15 0.52 -0.75 4.76 4.63 3kuzA1 ASN 1254 HB2 -0.02 0.05 0.11 -0.04 2.88 2.98 3kuzA1 ASN 1254 HB3 -0.02 -0.03 0.08 -0.04 2.79 2.78 3kuzA1 ASN 1254 HD21 0.01 0.04 -0.00 -0.04 7.03 7.03 3kuzA1 ASN 1254 HD22 -0.00 -0.03 0.03 -0.04 7.74 7.70 3kuzA1 GLU 1255 H 0.02 0.21 -0.57 -0.55 8.60 7.71 3kuzA1 GLU 1255 HA -0.01 0.17 0.77 -0.75 4.29 4.48 3kuzA1 GLU 1255 HB2 0.05 -0.00 0.08 -0.04 2.09 2.18 3kuzA1 GLU 1255 HB3 0.02 0.05 0.13 -0.04 1.99 2.16 3kuzA1 GLU 1255 HG2 0.01 0.09 -0.04 -0.04 2.34 2.36 3kuzA1 GLU 1255 HG3 0.02 -0.15 -0.06 -0.04 2.34 2.12 3kuzA1 ILE 1256 H -0.04 0.31 -0.19 -0.55 8.25 7.77 3kuzA1 ILE 1256 HA -0.16 0.15 1.23 -0.75 4.18 4.64 3kuzA1 ILE 1256 HB -0.09 0.05 0.09 -0.04 1.89 1.89 3kuzA1 ILE 1256 HG12 0.01 -0.04 0.00 -0.04 1.49 1.43 3kuzA1 ILE 1256 HG13 -0.15 0.10 -0.07 -0.04 1.21 1.05 3kuzA1 ILE 1256 HG23 0.27 -0.01 -0.22 -0.04 0.93 0.93 3kuzA1 ILE 1256 HD13 -0.07 -0.02 -0.12 -0.04 0.88 0.62 3kuzA1 GLY 1257 H -0.78 0.65 0.37 -0.55 8.43 8.11 3kuzA1 GLY 1257 HA2 -0.31 0.16 0.84 -0.51 4.01 4.19 3kuzA1 GLY 1257 HA3 -0.91 0.01 0.29 -0.51 4.01 2.89 3kuzA1 LEU 1258 H -0.07 0.24 0.23 -0.55 8.37 8.23 3kuzA1 LEU 1258 HA 0.00 0.37 0.96 -0.75 4.35 4.93 3kuzA1 LEU 1258 HB2 -0.07 -0.03 0.13 -0.04 1.64 1.63 3kuzA1 LEU 1258 HB3 -0.06 0.02 -0.07 -0.04 1.64 1.48 3kuzA1 LEU 1258 HG -0.12 -0.02 -0.10 -0.04 1.64 1.36 3kuzA1 LEU 1258 HD13 -0.08 -0.01 -0.13 -0.04 0.93 0.66 3kuzA1 LEU 1258 HD23 -0.14 0.03 -0.17 -0.04 0.89 0.57 3kuzA1 GLU 1259 H 0.12 0.68 0.28 -0.55 8.60 9.13 3kuzA1 GLU 1259 HA 0.01 0.18 0.90 -0.75 4.29 4.63 3kuzA1 GLU 1259 HB2 -0.02 -0.02 0.06 -0.04 2.09 2.07 3kuzA1 GLU 1259 HB3 -0.07 0.01 -0.19 -0.04 1.99 1.70 3kuzA1 GLU 1259 HG2 0.05 -0.00 -0.28 -0.04 2.34 2.07 3kuzA1 GLU 1259 HG3 -0.41 0.03 -0.19 -0.04 2.34 1.74 3kuzA1 LEU 1260 H -0.08 0.72 0.26 -0.55 8.37 8.73 3kuzA1 LEU 1260 HA -0.05 0.20 0.79 -0.75 4.35 4.53 3kuzA1 LEU 1260 HB2 -0.10 -0.05 0.03 -0.04 1.64 1.48 3kuzA1 LEU 1260 HB3 -0.09 0.02 0.16 -0.04 1.64 1.69 3kuzA1 LEU 1260 HG -0.03 -0.02 -0.48 -0.04 1.64 1.07 3kuzA1 LEU 1260 HD13 -0.03 0.03 -0.03 -0.04 0.93 0.86 3kuzA1 LEU 1260 HD23 -0.02 -0.00 -0.08 -0.04 0.89 0.75 3kuzA1 GLN 1261 H -0.03 0.73 0.33 -0.55 8.47 8.96 3kuzA1 GLN 1261 HA -0.03 0.17 0.78 -0.75 4.36 4.52 3kuzA1 GLN 1261 HB2 -0.02 -0.03 0.24 -0.04 2.15 2.30 3kuzA1 GLN 1261 HB3 -0.02 0.05 0.05 -0.04 2.02 2.06 3kuzA1 MET 1262 H -0.02 0.77 0.12 -0.55 8.47 8.79 3kuzA1 MET 1262 HA -0.01 0.09 0.65 -0.75 4.52 4.50 3kuzA1 MET 1262 HB2 -0.01 -0.06 0.08 -0.04 2.15 2.12 3kuzA1 MET 1262 HB3 -0.00 -0.04 0.08 -0.04 2.03 2.02 3kuzA1 MET 1262 HG2 -0.00 0.03 -0.14 -0.04 2.63 2.48 3kuzA1 MET 1262 HG3 -0.02 0.08 -0.22 -0.04 2.56 2.36 3kuzA1 MET 1262 HE3 0.01 -0.00 -0.02 -0.04 2.10 2.05 3kuzA1 GLY 1263 H -0.01 0.24 0.01 -0.55 8.43 8.12 3kuzA1 GLY 1263 HA2 -0.01 0.04 0.29 -0.51 4.01 3.83 3kuzA1 GLY 1263 HA3 -0.01 -0.03 0.54 -0.51 4.01 4.00 3kuzA1 THR 1264 H -0.01 0.08 0.27 -0.55 8.28 8.07 3kuzA1 THR 1264 HA -0.01 0.08 0.52 -0.75 4.39 4.22 3kuzA1 ARG 1265 H -0.01 0.34 0.08 -0.55 8.46 8.31 3kuzA1 ARG 1265 HA -0.02 0.03 0.30 -0.75 4.34 3.90 3kuzA1 GLN 1266 H -0.03 0.18 0.18 -0.55 8.47 8.25 3kuzA1 GLN 1266 HA -0.04 0.25 0.79 -0.75 4.36 4.61 3kuzA1 LYS 1267 H -0.05 0.64 0.17 -0.55 8.42 8.63 3kuzA1 LYS 1267 HA -0.02 0.11 0.87 -0.75 4.32 4.52 3kuzA1 LYS 1267 HB2 -0.01 0.01 -0.10 -0.04 1.87 1.73 3kuzA1 LYS 1267 HB3 -0.04 0.07 0.10 -0.04 1.79 1.88 3kuzA1 LYS 1267 HG2 0.01 0.02 -0.06 -0.04 1.46 1.39 3kuzA1 LYS 1267 HG3 -0.10 -0.02 -0.32 -0.04 1.46 0.98 3kuzA1 LYS 1267 HD2 0.05 0.08 -0.02 -0.04 1.69 1.76 3kuzA1 LYS 1267 HD3 0.04 -0.02 0.02 -0.04 1.68 1.68 3kuzA1 LYS 1267 HE2 0.34 -0.01 -0.04 -0.04 2.99 3.23 3kuzA1 LYS 1267 HE3 0.13 -0.04 -0.01 -0.04 2.99 3.03 3kuzA1 GLU 1268 H -0.01 0.14 0.15 -0.55 8.60 8.32 3kuzA1 GLU 1268 HA 0.01 0.16 0.74 -0.75 4.29 4.45 3kuzA1 GLU 1268 HB2 0.04 -0.00 0.07 -0.04 2.09 2.16 3kuzA1 GLU 1268 HB3 0.04 -0.05 0.07 -0.04 1.99 2.01 3kuzA1 GLU 1268 HG2 0.06 0.04 -0.22 -0.04 2.34 2.18 3kuzA1 GLU 1268 HG3 0.24 0.10 0.05 -0.04 2.34 2.68 3kuzA1 LEU 1269 H -0.06 0.68 0.36 -0.55 8.37 8.80 3kuzA1 LEU 1269 HA -0.54 0.11 0.78 -0.75 4.35 3.95 3kuzA1 LEU 1269 HB2 -0.15 -0.03 0.11 -0.04 1.64 1.52 3kuzA1 LEU 1269 HB3 -0.30 -0.03 -0.07 -0.04 1.64 1.21 3kuzA1 LEU 1269 HG -0.21 -0.01 -0.10 -0.04 1.64 1.27 3kuzA1 LEU 1269 HD13 -0.15 -0.01 -0.13 -0.04 0.93 0.59 3kuzA1 LEU 1269 HD23 -0.86 0.03 -0.19 -0.04 0.89 -0.17 3kuzA1 LEU 1270 H 0.17 0.26 0.13 -0.55 8.37 8.39 3kuzA1 LEU 1270 HA 0.02 0.17 0.90 -0.75 4.35 4.69 3kuzA1 LEU 1270 HB2 0.12 -0.01 -0.12 -0.04 1.64 1.58 3kuzA1 LEU 1270 HB3 0.05 -0.01 -0.02 -0.04 1.64 1.63 3kuzA1 LEU 1270 HG 0.05 -0.02 -0.49 -0.04 1.64 1.14 3kuzA1 LEU 1270 HD13 0.06 0.02 -0.01 -0.04 0.93 0.95 3kuzA1 LEU 1270 HD23 0.02 0.02 0.04 -0.04 0.89 0.93 3kuzA1 ASP 1271 H 0.02 0.19 0.15 -0.55 8.40 8.21 3kuzA1 ASP 1271 HA 0.02 0.07 0.63 -0.75 4.63 4.60 3kuzA1 ASP 1271 HB2 -0.01 0.06 0.18 -0.04 2.71 2.90 3kuzA1 ASP 1271 HB3 -0.01 0.08 -0.01 -0.04 2.70 2.72 3kuzA1 ILE 1272 H 0.01 0.19 0.01 -0.55 8.25 7.91 3kuzA1 ILE 1272 HA -0.03 0.17 0.76 -0.75 4.18 4.32 3kuzA1 ILE 1272 HB -0.00 -0.02 0.11 -0.04 1.89 1.93 3kuzA1 ILE 1272 HG12 -0.02 -0.16 -0.31 -0.04 1.49 0.96 3kuzA1 ILE 1272 HG13 -0.02 0.03 -0.05 -0.04 1.21 1.14 3kuzA1 ILE 1272 HG23 -0.01 0.02 -0.08 -0.04 0.93 0.81 3kuzA1 ILE 1272 HD13 -0.04 0.06 -0.03 -0.04 0.88 0.83 3kuzA1 ASP 1273 H -0.01 0.22 0.12 -0.55 8.40 8.18 3kuzA1 ASP 1273 HA 0.03 0.19 0.21 -0.75 4.63 4.30 3kuzA1 ASP 1273 HB2 0.07 -0.04 0.23 -0.04 2.71 2.93 3kuzA1 ASP 1273 HB3 0.08 0.13 0.06 -0.04 2.70 2.93 3kuzA1 SER 1274 H 0.04 0.21 0.15 -0.55 8.46 8.31 3kuzA1 SER 1274 HA 0.01 0.13 0.26 -0.75 4.49 4.14 3kuzA1 SER 1274 HB2 0.02 0.06 0.15 -0.04 3.95 4.13 3kuzA1 SER 1274 HB3 0.02 -0.01 0.13 -0.04 3.93 4.03 3kuzA1 SER 1275 H 0.05 -0.09 -0.60 -0.55 8.46 7.27 3kuzA1 SER 1275 HA 0.04 0.22 0.73 -0.75 4.49 4.73 3kuzA1 SER 1275 HB2 0.05 0.06 0.08 -0.04 3.95 4.10 3kuzA1 SER 1275 HB3 0.07 -0.05 -0.00 -0.04 3.93 3.91 3kuzA1 SER 1276 H -0.02 0.42 -0.12 -0.55 8.46 8.20 3kuzA1 SER 1276 HA -0.28 -0.01 0.24 -0.75 4.49 3.70 3kuzA1 SER 1276 HB2 -0.05 0.05 0.05 -0.04 3.95 3.96 3kuzA1 SER 1276 HB3 -0.11 0.16 0.11 -0.04 3.93 4.05 3kuzA1 VAL 1277 H -0.14 0.13 0.19 -0.55 8.24 7.86 3kuzA1 VAL 1277 HA -0.01 0.15 0.67 -0.75 4.13 4.19 3kuzA1 VAL 1277 HB -0.05 -0.08 0.15 -0.04 2.12 2.11 3kuzA1 VAL 1277 HG13 -0.01 0.00 -0.16 -0.04 0.97 0.76 3kuzA1 VAL 1277 HG23 0.03 0.01 0.03 -0.04 0.95 0.99 3kuzA1 ILE 1278 H -0.01 0.24 0.18 -0.55 8.25 8.11 3kuzA1 ILE 1278 HA -0.02 0.10 0.71 -0.75 4.18 4.21 3kuzA1 ILE 1278 HB -0.01 -0.03 0.12 -0.04 1.89 1.94 3kuzA1 ILE 1278 HG12 -0.01 -0.02 -0.12 -0.04 1.49 1.29 3kuzA1 ILE 1278 HG13 -0.01 0.06 -0.04 -0.04 1.21 1.18 3kuzA1 ILE 1278 HG23 -0.01 0.07 -0.18 -0.04 0.93 0.78 3kuzA1 ILE 1278 HD13 -0.01 0.00 -0.02 -0.04 0.88 0.82 3kuzA1 LEU 1279 H -0.02 0.89 0.20 -0.55 8.37 8.90 3kuzA1 LEU 1279 HA -0.01 0.13 0.55 -0.75 4.35 4.26 3kuzA1 LEU 1279 HB2 -0.01 0.07 0.03 -0.04 1.64 1.68 3kuzA1 LEU 1279 HB3 -0.01 -0.15 0.11 -0.04 1.64 1.56 3kuzA1 LEU 1279 HG -0.02 0.06 -0.11 -0.04 1.64 1.53 3kuzA1 LEU 1279 HD13 -0.02 -0.01 -0.10 -0.04 0.93 0.76 3kuzA1 LEU 1279 HD23 -0.01 0.01 -0.06 -0.04 0.89 0.79 3kuzA1 GLU 1280 H -0.01 0.14 0.13 -0.55 8.60 8.31 3kuzA1 GLU 1280 HA -0.00 0.11 0.29 -0.75 4.29 3.93 3kuzA1 ASP 1281 H -0.01 0.03 -0.20 -0.55 8.40 7.67 3kuzA1 ASP 1281 HA -0.00 0.25 0.75 -0.75 4.63 4.87 3kuzA1 GLY 1282 H -0.01 0.54 -0.32 -0.55 8.43 8.09 3kuzA1 GLY 1282 HA2 -0.01 0.05 0.28 -0.51 4.01 3.82 3kuzA1 GLY 1282 HA3 -0.01 0.14 0.69 -0.51 4.01 4.33 3kuzA1 ILE 1283 H -0.01 -0.05 -0.49 -0.55 8.25 7.14 3kuzA1 ILE 1283 HA -0.01 0.08 0.42 -0.75 4.18 3.92 3kuzA1 ILE 1283 HB -0.01 -0.15 -0.02 -0.04 1.89 1.67 3kuzA1 ILE 1283 HG12 -0.01 -0.03 -0.07 -0.04 1.49 1.34 3kuzA1 ILE 1283 HG13 -0.01 0.01 -0.02 -0.04 1.21 1.15 3kuzA1 ILE 1283 HG23 -0.01 0.02 -0.21 -0.04 0.93 0.68 3kuzA1 ILE 1283 HD13 -0.01 0.02 -0.04 -0.04 0.88 0.81 3kuzA1 THR 1284 H -0.02 0.11 0.18 -0.55 8.28 8.01 3kuzA1 THR 1284 HA -0.03 0.19 0.81 -0.75 4.39 4.61 3kuzA1 THR 1284 HB -0.02 -0.07 0.09 -0.04 4.32 4.27 3kuzA1 THR 1284 HG23 -0.04 0.03 -0.15 -0.04 1.22 1.02 3kuzA1 LYS 1285 H -0.05 0.91 0.37 -0.55 8.42 9.09 3kuzA1 LYS 1285 HA -0.04 0.02 0.68 -0.75 4.32 4.23 3kuzA1 LYS 1285 HB2 -0.03 -0.04 0.06 -0.04 1.87 1.82 3kuzA1 LYS 1285 HB3 -0.07 -0.02 0.19 -0.04 1.79 1.86 3kuzA1 LYS 1285 HG2 -0.06 0.19 -0.15 -0.04 1.46 1.40 3kuzA1 LYS 1285 HG3 -0.03 -0.05 0.06 -0.04 1.46 1.39 3kuzA1 LYS 1285 HD2 -0.02 -0.02 -0.01 -0.04 1.69 1.60 3kuzA1 LYS 1285 HD3 -0.03 -0.03 -0.01 -0.04 1.68 1.56 3kuzA1 LYS 1285 HE2 -0.02 0.01 -0.01 -0.04 2.99 2.94 3kuzA1 LYS 1285 HE3 -0.02 -0.01 0.01 -0.04 2.99 2.93 3kuzA1 LEU 1286 H -0.04 0.07 0.18 -0.55 8.37 8.03 3kuzA1 LEU 1286 HA -0.06 0.19 0.55 -0.75 4.35 4.27 3kuzA1 LEU 1286 HB2 -0.03 -0.05 0.15 -0.04 1.64 1.67 3kuzA1 LEU 1286 HB3 -0.03 -0.04 0.14 -0.04 1.64 1.67 3kuzA1 LEU 1286 HG -0.03 0.03 0.10 -0.04 1.64 1.70 3kuzA1 LEU 1286 HD13 -0.02 -0.03 0.06 -0.04 0.93 0.90 3kuzA1 LEU 1286 HD23 -0.03 -0.00 -0.04 -0.04 0.89 0.78 3kuzA1 ASN 1287 H -0.09 0.75 0.45 -0.55 8.53 9.09 3kuzA1 ASN 1287 HA -0.33 0.04 0.47 -0.75 4.76 4.19 3kuzA1 ASN 1287 HB2 0.06 0.13 0.22 -0.04 2.88 3.25 3kuzA1 ASN 1287 HB3 -0.16 0.02 0.04 -0.04 2.79 2.66 3kuzA1 ASN 1287 HD21 -0.06 -0.24 -0.15 -0.04 7.03 6.54 3kuzA1 ASN 1287 HD22 0.15 0.31 -0.07 -0.04 7.74 8.09 3kuzA1 THR 1288 H 0.01 0.08 0.21 -0.55 8.28 8.02 3kuzA1 THR 1288 HA 0.05 0.19 0.72 -0.75 4.39 4.59 3kuzA1 THR 1288 HB 0.04 0.11 0.07 -0.04 4.32 4.49 3kuzA1 THR 1288 HG23 0.00 0.05 -0.11 -0.04 1.22 1.12 3kuzA1 ILE 1289 H 0.07 0.48 0.11 -0.55 8.25 8.35 3kuzA1 ILE 1289 HA 0.14 0.06 0.40 -0.75 4.18 4.04 3kuzA1 ILE 1289 HB 0.05 0.07 0.17 -0.04 1.89 2.13 3kuzA1 ILE 1289 HG12 0.04 0.04 -0.11 -0.04 1.49 1.43 3kuzA1 ILE 1289 HG13 0.03 -0.01 -0.05 -0.04 1.21 1.13 3kuzA1 ILE 1289 HG23 0.04 -0.01 -0.24 -0.04 0.93 0.68 3kuzA1 ILE 1289 HD13 0.02 -0.00 -0.12 -0.04 0.88 0.74 3kuzA1 GLY 1290 H 0.06 0.79 0.18 -0.55 8.43 8.91 3kuzA1 GLY 1290 HA2 0.04 0.04 0.41 -0.51 4.01 3.99 3kuzA1 GLY 1290 HA3 0.04 0.07 0.28 -0.51 4.01 3.89 3kuzA1 HIS 1291 H 0.13 0.09 -0.56 -0.55 8.41 7.52 3kuzA1 HIS 1291 HA -0.08 0.09 0.42 -0.75 4.63 4.31 3kuzA1 HIS 1291 HB2 -0.10 -0.06 0.11 -0.04 3.26 3.17 3kuzA1 HIS 1291 HB3 -0.17 0.15 0.13 -0.04 3.20 3.26 3kuzA1 HIS 1291 HD2 -1.37 0.01 -0.19 -0.04 6.97 5.38 3kuzA1 HIS 1291 HE1 -0.13 0.28 -0.01 -0.04 7.75 7.85 3kuzA1 TYR 1292 H 0.19 0.32 -0.30 -0.55 8.29 7.95 3kuzA1 TYR 1292 HA -0.11 0.16 0.62 -0.75 4.56 4.47 3kuzA1 TYR 1292 HB2 0.03 0.08 0.02 -0.04 3.06 3.15 3kuzA1 TYR 1292 HB3 0.00 -0.00 0.03 -0.04 2.98 2.97 3kuzA1 TYR 1292 HD2 0.05 0.11 -0.04 -0.04 7.15 7.24 3kuzA1 TYR 1292 HE2 0.07 0.03 -0.04 -0.04 6.85 6.86 3kuzA1 GLU 1293 H 0.02 0.23 -0.61 -0.55 8.60 7.70 3kuzA1 GLU 1293 HA 0.01 -0.01 0.27 -0.75 4.29 3.81 3kuzA1 GLU 1293 HB2 0.00 0.11 -0.06 -0.04 2.09 2.10 3kuzA1 GLU 1293 HB3 -0.00 -0.06 0.06 -0.04 1.99 1.94 3kuzA1 GLU 1293 HG2 -0.03 -0.02 -0.03 -0.04 2.34 2.22 3kuzA1 GLU 1293 HG3 -0.07 0.10 -0.26 -0.04 2.34 2.07 3kuzA1 ILE 1294 H 0.05 0.12 -0.15 -0.55 8.25 7.73 3kuzA1 ILE 1294 HA 0.02 0.13 0.67 -0.75 4.18 4.25 3kuzA1 ILE 1294 HB 0.04 -0.08 -0.07 -0.04 1.89 1.75 3kuzA1 ILE 1294 HG12 0.02 0.05 -0.14 -0.04 1.49 1.37 3kuzA1 ILE 1294 HG13 0.11 0.00 -0.38 -0.04 1.21 0.90 3kuzA1 ILE 1294 HG23 0.00 -0.00 -0.21 -0.04 0.93 0.68 3kuzA1 ILE 1294 HD13 0.00 -0.03 -0.08 -0.04 0.88 0.73 3kuzA1 SER 1295 H 0.01 0.17 0.09 -0.55 8.46 8.19 3kuzA1 SER 1295 HA 0.01 0.08 0.63 -0.75 4.49 4.46 3kuzA1 SER 1295 HB2 0.01 0.04 -0.02 -0.04 3.95 3.94 3kuzA1 SER 1295 HB3 0.00 0.04 -0.01 -0.04 3.93 3.93 3kuzA1 ASN 1296 H 0.01 0.10 0.14 -0.55 8.53 8.23 3kuzA1 ASN 1296 HA 0.01 0.03 0.52 -0.75 4.76 4.57 3kuzA1 ASN 1296 HB2 0.01 -0.01 0.18 -0.04 2.88 3.01 3kuzA1 ASN 1296 HB3 0.01 0.06 -0.06 -0.04 2.79 2.76 3kuzA1 ASN 1296 HD21 0.01 0.03 0.06 -0.04 7.03 7.09 3kuzA1 ASN 1296 HD22 0.01 0.02 0.07 -0.04 7.74 7.79 3kuzA1 GLY 1297 H 0.01 0.73 0.33 -0.55 8.43 8.95 3kuzA1 GLY 1297 HA2 0.01 -0.05 0.28 -0.51 4.01 3.73 3kuzA1 GLY 1297 HA3 0.00 0.06 0.45 -0.51 4.01 4.01 3kuzA1 SER 1298 H 0.00 0.48 -0.18 -0.55 8.46 8.22 3kuzA1 SER 1298 HA -0.00 0.05 0.55 -0.75 4.49 4.33 3kuzA1 SER 1298 HB2 -0.01 -0.05 0.02 -0.04 3.95 3.87 3kuzA1 SER 1298 HB3 -0.01 0.02 0.00 -0.04 3.93 3.89 3kuzA1 THR 1299 H -0.01 0.18 0.27 -0.55 8.28 8.17 3kuzA1 THR 1299 HA -0.01 0.34 0.92 -0.75 4.39 4.89 3kuzA1 THR 1299 HB -0.01 -0.03 0.23 -0.04 4.32 4.47 3kuzA1 THR 1299 HG23 -0.01 0.01 -0.09 -0.04 1.22 1.08 3kuzA1 ILE 1300 H -0.04 0.58 0.27 -0.55 8.25 8.51 3kuzA1 ILE 1300 HA -0.04 0.26 0.98 -0.75 4.18 4.63 3kuzA1 ILE 1300 HB -0.08 -0.03 -0.01 -0.04 1.89 1.73 3kuzA1 ILE 1300 HG12 -0.04 0.06 -0.39 -0.04 1.49 1.08 3kuzA1 ILE 1300 HG13 -0.05 -0.03 -0.20 -0.04 1.21 0.89 3kuzA1 ILE 1300 HG23 -0.08 -0.01 -0.27 -0.04 0.93 0.53 3kuzA1 ILE 1300 HD13 -0.05 0.04 -0.24 -0.04 0.88 0.59 3kuzA1 LYS 1301 H -0.02 0.77 0.32 -0.55 8.42 8.94 3kuzA1 LYS 1301 HA -0.05 0.30 0.94 -0.75 4.32 4.76 3kuzA1 LYS 1301 HB2 -0.01 -0.00 0.01 -0.04 1.87 1.83 3kuzA1 LYS 1301 HB3 0.01 -0.03 0.14 -0.04 1.79 1.87 3kuzA1 LYS 1301 HG2 0.00 -0.04 -0.09 -0.04 1.46 1.29 3kuzA1 LYS 1301 HG3 0.12 -0.04 -0.36 -0.04 1.46 1.14 3kuzA1 LYS 1301 HD2 0.04 0.20 -0.08 -0.04 1.69 1.81 3kuzA1 LYS 1301 HD3 0.03 -0.04 -0.07 -0.04 1.68 1.55 3kuzA1 LYS 1301 HE2 0.04 -0.05 -0.08 -0.04 2.99 2.87 3kuzA1 LYS 1301 HE3 0.11 0.02 -0.07 -0.04 2.99 3.01 3kuzA1 VAL 1302 H -0.20 0.72 0.39 -0.55 8.24 8.60 3kuzA1 VAL 1302 HA -0.11 0.27 1.00 -0.75 4.13 4.54 3kuzA1 VAL 1302 HB -0.48 -0.06 0.22 -0.04 2.12 1.76 3kuzA1 VAL 1302 HG13 -0.23 -0.01 -0.10 -0.04 0.97 0.59 3kuzA1 VAL 1302 HG23 -0.56 0.00 -0.07 -0.04 0.95 0.28 3kuzA1 PHE 1303 H -0.22 0.61 0.32 -0.55 8.34 8.49 3kuzA1 PHE 1303 HA 0.07 0.13 0.89 -0.75 4.62 4.95 3kuzA1 PHE 1303 HB2 0.02 0.05 -0.01 -0.04 3.15 3.18 3kuzA1 PHE 1303 HB3 0.00 0.01 -0.26 -0.04 3.06 2.77 3kuzA1 PHE 1303 HD2 -0.01 0.19 -0.34 -0.04 7.28 7.08 3kuzA1 PHE 1303 HE2 -0.02 -0.01 -0.39 -0.04 7.38 6.92 3kuzA1 PHE 1303 HZ -0.02 -0.01 -0.13 -0.04 7.32 7.12 3kuzA1 LYS 1304 H 0.19 0.15 0.12 -0.55 8.42 8.33 3kuzA1 LYS 1304 HA 0.03 0.13 0.72 -0.75 4.32 4.44 3kuzA1 LYS 1304 HB2 0.08 -0.03 0.09 -0.04 1.87 1.98 3kuzA1 LYS 1304 HB3 0.10 -0.03 0.17 -0.04 1.79 1.99 3kuzA1 LYS 1304 HG2 0.04 0.23 -0.13 -0.04 1.46 1.56 3kuzA1 LYS 1304 HG3 0.03 -0.01 0.03 -0.04 1.46 1.47 3kuzA1 LYS 1304 HD2 -0.00 -0.06 -0.00 -0.04 1.69 1.59 3kuzA1 LYS 1304 HD3 0.03 -0.02 0.01 -0.04 1.68 1.66 3kuzA1 LYS 1304 HE2 0.01 -0.04 -0.00 -0.04 2.99 2.91 3kuzA1 LYS 1304 HE3 0.02 0.06 -0.03 -0.04 2.99 3.00 3kuzA1 LYS 1305 H -0.09 0.51 0.22 -0.55 8.42 8.50 3kuzA1 LYS 1305 HA 0.16 0.09 0.32 -0.75 4.32 4.14