============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. PHE 6 1.000 67.176 39.412 8.663 -99.200 -91.000 TYR 18 0.840 46.157 42.529 15.329 -99.200 -91.000 TYR 29 0.840 36.960 52.882 7.818 -99.200 -91.000 TRP 31 1.040 35.478 60.091 17.128 -99.200 -91.000 TRP6 31 1.020 34.907 61.808 15.591 -99.200 -91.000 PHE 52 1.000 33.605 49.534 13.642 -99.200 -91.000 TYR 59 0.840 44.085 49.728 21.042 -99.200 -91.000 PHE 61 1.000 46.004 39.434 24.773 -99.200 -91.000 HIS 62 0.900 46.893 41.158 20.247 -99.200 -91.000 PHE 66 1.000 50.998 37.882 22.974 -99.200 -91.000 TYR 73 0.840 59.406 35.914 26.893 -99.200 -91.000 HIS 82 0.900 56.373 30.983 30.342 -99.200 -91.000 PHE 84 1.000 52.803 33.769 20.730 -99.200 -91.000 TRP 87 1.040 50.213 36.975 28.709 -99.200 -91.000 TRP6 87 1.020 48.996 37.877 30.539 -99.200 -91.000 PHE 91 1.000 46.788 35.223 21.852 -99.200 -91.000 TYR 94 0.840 42.515 37.424 18.133 -99.200 -91.000 TYR 97 0.840 36.963 40.554 14.747 -99.200 -91.000 HIS 111 0.900 20.583 46.201 6.626 -99.200 -91.000 TYR 115 0.840 28.657 56.104 7.957 -99.200 -91.000 PHE 116 1.000 31.065 51.658 7.999 -99.200 -91.000 HIS 123 0.900 38.544 60.053 8.778 -99.200 -91.000 TYR 132 0.840 42.114 50.100 8.918 -99.200 -91.000 TYR 143 0.840 49.913 36.331 17.067 -99.200 -91.000 HIS 180 0.900 33.004 23.515 9.974 -99.200 -91.000 PHE 187 1.000 22.629 18.664 20.437 -99.200 -91.000 PHE 198 1.000 34.863 11.171 10.898 -99.200 -91.000 HIS 200 0.900 31.032 18.779 9.782 -99.200 -91.000 PHE 202 1.000 29.369 19.721 14.705 -99.200 -91.000 PHE 204 1.000 29.743 19.132 21.346 -99.200 -91.000 PHE 210 1.000 27.550 9.453 14.236 -99.200 -91.000 TYR 223 0.840 27.808 21.224 9.197 -99.200 -91.000 TYR 225 0.840 20.679 15.222 16.992 -99.200 -91.000 PHE 230 1.000 24.214 10.111 26.533 -99.200 -91.000 HIS 239 0.900 46.041 -0.617 8.712 -99.200 -91.000 PHE 247 1.000 37.047 6.294 12.810 -99.200 -91.000 TRP 267 1.040 37.949 12.760 14.175 -99.200 -91.000 TRP6 267 1.020 35.816 13.416 14.955 -99.200 -91.000 HIS 270 0.900 42.301 14.836 19.693 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2nz8B1 ALA 1231 HA 0.02 0.01 0.25 -0.75 4.34 3.87 2nz8B1 ALA 1231 HB3 0.01 0.02 0.05 -0.04 1.41 1.45 2nz8B1 ARG 1232 H 0.04 0.25 0.15 -0.55 8.46 8.35 2nz8B1 ARG 1232 HA -0.02 0.10 0.58 -0.75 4.34 4.24 2nz8B1 ARG 1232 HB2 0.04 0.05 0.14 -0.04 1.90 2.08 2nz8B1 ARG 1232 HB3 0.09 -0.00 0.15 -0.04 1.80 1.99 2nz8B1 ARG 1232 HG2 0.22 0.02 -0.03 -0.04 1.67 1.84 2nz8B1 ARG 1232 HG3 0.14 -0.04 -0.05 -0.04 1.67 1.67 2nz8B1 ARG 1232 HD2 -0.06 -0.00 0.05 -0.04 3.22 3.17 2nz8B1 ARG 1232 HD3 0.03 0.02 0.03 -0.04 3.22 3.27 2nz8B1 ARG 1233 H 0.09 0.20 0.01 -0.55 8.46 8.21 2nz8B1 ARG 1233 HA 0.24 0.07 0.46 -0.75 4.34 4.35 2nz8B1 ARG 1233 HB2 0.08 0.02 0.12 -0.04 1.90 2.07 2nz8B1 ARG 1233 HB3 0.06 0.06 0.11 -0.04 1.80 1.98 2nz8B1 ARG 1233 HG2 0.04 0.08 -0.04 -0.04 1.67 1.71 2nz8B1 ARG 1233 HG3 0.07 -0.04 -0.23 -0.04 1.67 1.44 2nz8B1 ARG 1233 HD2 0.04 -0.04 0.04 -0.04 3.22 3.22 2nz8B1 ARG 1233 HD3 0.03 0.03 0.01 -0.04 3.22 3.24 2nz8B1 LYS 1234 H 0.06 0.14 -0.39 -0.55 8.42 7.67 2nz8B1 LYS 1234 HA 0.06 0.02 0.31 -0.75 4.32 3.96 2nz8B1 LYS 1234 HB2 0.03 0.02 0.10 -0.04 1.87 1.98 2nz8B1 LYS 1234 HB3 0.03 0.13 0.02 -0.04 1.79 1.92 2nz8B1 LYS 1234 HG2 0.04 -0.07 -0.01 -0.04 1.46 1.37 2nz8B1 LYS 1234 HG3 0.04 0.02 -0.00 -0.04 1.46 1.47 2nz8B1 LYS 1234 HD2 0.03 0.02 0.03 -0.04 1.69 1.72 2nz8B1 LYS 1234 HD3 0.03 -0.12 -0.04 -0.04 1.68 1.51 2nz8B1 LYS 1234 HE2 0.03 0.04 -0.12 -0.04 2.99 2.90 2nz8B1 LYS 1234 HE3 0.03 0.03 0.05 -0.04 2.99 3.06 2nz8B1 GLU 1235 H 0.00 0.42 -0.23 -0.55 8.60 8.25 2nz8B1 GLU 1235 HA -0.02 0.06 0.52 -0.75 4.29 4.10 2nz8B1 GLU 1235 HB2 -0.16 0.12 0.23 -0.04 2.09 2.23 2nz8B1 GLU 1235 HB3 -0.20 -0.04 0.02 -0.04 1.99 1.73 2nz8B1 GLU 1235 HG2 -0.05 -0.00 0.08 -0.04 2.34 2.32 2nz8B1 GLU 1235 HG3 -0.04 0.11 0.09 -0.04 2.34 2.46 2nz8B1 PHE 1236 H 0.07 0.49 -0.10 -0.55 8.34 8.25 2nz8B1 PHE 1236 HA 0.02 0.02 0.53 -0.75 4.62 4.43 2nz8B1 PHE 1236 HB2 0.01 0.14 0.21 -0.04 3.15 3.47 2nz8B1 PHE 1236 HB3 0.01 -0.04 -0.00 -0.04 3.06 2.99 2nz8B1 PHE 1236 HD2 0.01 -0.00 -0.03 -0.04 7.28 7.22 2nz8B1 PHE 1236 HE2 0.01 -0.02 -0.02 -0.04 7.38 7.30 2nz8B1 PHE 1236 HZ 0.01 -0.01 -0.01 -0.04 7.32 7.27 2nz8B1 ILE 1237 H 0.15 0.53 -0.11 -0.55 8.25 8.27 2nz8B1 ILE 1237 HA 0.09 0.02 0.42 -0.75 4.18 3.96 2nz8B1 ILE 1237 HB 0.07 0.08 0.10 -0.04 1.89 2.10 2nz8B1 ILE 1237 HG12 0.05 -0.04 -0.03 -0.04 1.49 1.43 2nz8B1 ILE 1237 HG13 0.09 0.07 0.02 -0.04 1.21 1.36 2nz8B1 ILE 1237 HG23 0.06 -0.02 -0.09 -0.04 0.93 0.83 2nz8B1 ILE 1237 HD13 0.05 -0.03 -0.30 -0.04 0.88 0.55 2nz8B1 MET 1238 H 0.07 0.60 -0.05 -0.55 8.47 8.54 2nz8B1 MET 1238 HA 0.08 -0.02 0.44 -0.75 4.52 4.26 2nz8B1 MET 1238 HB2 0.05 0.07 0.17 -0.04 2.15 2.40 2nz8B1 MET 1238 HB3 0.04 0.09 0.13 -0.04 2.03 2.25 2nz8B1 MET 1238 HG2 0.06 0.24 0.01 -0.04 2.63 2.90 2nz8B1 MET 1238 HG3 0.06 -0.08 -0.04 -0.04 2.56 2.46 2nz8B1 MET 1238 HE3 0.09 -0.03 -0.15 -0.04 2.10 1.98 2nz8B1 ALA 1239 H 0.04 0.61 -0.13 -0.55 8.40 8.37 2nz8B1 ALA 1239 HA 0.04 -0.00 0.48 -0.75 4.34 4.10 2nz8B1 ALA 1239 HB3 0.03 0.02 0.12 -0.04 1.41 1.55 2nz8B1 GLU 1240 H 0.09 0.61 -0.15 -0.55 8.60 8.61 2nz8B1 GLU 1240 HA 0.07 -0.02 0.47 -0.75 4.29 4.05 2nz8B1 GLU 1240 HB2 0.08 0.04 0.13 -0.04 2.09 2.29 2nz8B1 GLU 1240 HB3 0.07 0.10 0.16 -0.04 1.99 2.27 2nz8B1 GLU 1240 HG2 0.03 -0.02 -0.22 -0.04 2.34 2.10 2nz8B1 GLU 1240 HG3 0.04 -0.06 0.05 -0.04 2.34 2.33 2nz8B1 LEU 1241 H 0.08 0.66 -0.09 -0.55 8.37 8.48 2nz8B1 LEU 1241 HA 0.11 -0.03 0.36 -0.75 4.35 4.03 2nz8B1 LEU 1241 HB2 0.14 -0.01 0.08 -0.04 1.64 1.81 2nz8B1 LEU 1241 HB3 0.12 0.15 0.18 -0.04 1.64 2.05 2nz8B1 LEU 1241 HG 0.19 0.01 -0.24 -0.04 1.64 1.56 2nz8B1 LEU 1241 HD13 0.42 -0.03 -0.01 -0.04 0.93 1.27 2nz8B1 LEU 1241 HD23 0.25 -0.01 -0.06 -0.04 0.89 1.03 2nz8B1 ILE 1242 H 0.08 0.63 -0.09 -0.55 8.25 8.32 2nz8B1 ILE 1242 HA 0.08 -0.02 0.45 -0.75 4.18 3.93 2nz8B1 ILE 1242 HB 0.05 0.12 0.17 -0.04 1.89 2.18 2nz8B1 ILE 1242 HG12 0.03 -0.06 -0.13 -0.04 1.49 1.28 2nz8B1 ILE 1242 HG13 0.06 -0.06 -0.05 -0.04 1.21 1.12 2nz8B1 ILE 1242 HG23 0.03 -0.02 -0.10 -0.04 0.93 0.80 2nz8B1 ILE 1242 HD13 0.04 0.04 -0.07 -0.04 0.88 0.85 2nz8B1 GLN 1243 H 0.06 0.85 0.06 -0.55 8.47 8.88 2nz8B1 GLN 1243 HA 0.05 -0.01 0.46 -0.75 4.36 4.11 2nz8B1 GLN 1243 HB2 0.05 0.16 0.15 -0.04 2.15 2.46 2nz8B1 GLN 1243 HB3 0.05 0.00 0.04 -0.04 2.02 2.07 2nz8B1 GLN 1243 HG2 0.04 0.00 0.00 -0.04 2.40 2.40 2nz8B1 GLN 1243 HG3 0.04 -0.07 0.07 -0.04 2.39 2.39 2nz8B1 GLN 1243 HE21 0.02 0.00 -0.00 -0.04 6.97 6.95 2nz8B1 GLN 1243 HE22 0.03 -0.00 -0.00 -0.04 7.69 7.67 2nz8B1 THR 1244 H 0.06 0.78 -0.08 -0.55 8.28 8.48 2nz8B1 THR 1244 HA 0.06 0.00 0.59 -0.75 4.39 4.29 2nz8B1 THR 1244 HB -0.00 -0.08 0.05 -0.04 4.32 4.25 2nz8B1 THR 1244 HG23 0.02 0.01 0.03 -0.04 1.22 1.24 2nz8B1 GLU 1245 H 0.11 0.51 -0.23 -0.55 8.60 8.44 2nz8B1 GLU 1245 HA 0.20 -0.01 0.55 -0.75 4.29 4.27 2nz8B1 GLU 1245 HB2 0.23 0.10 0.14 -0.04 2.09 2.52 2nz8B1 GLU 1245 HB3 0.12 0.15 0.21 -0.04 1.99 2.44 2nz8B1 GLU 1245 HG2 0.15 -0.01 -0.03 -0.04 2.34 2.41 2nz8B1 GLU 1245 HG3 0.19 -0.05 -0.13 -0.04 2.34 2.30 2nz8B1 LYS 1246 H 0.08 0.64 -0.01 -0.55 8.42 8.58 2nz8B1 LYS 1246 HA 0.07 -0.00 0.47 -0.75 4.32 4.10 2nz8B1 LYS 1246 HB2 0.05 0.14 0.20 -0.04 1.87 2.22 2nz8B1 LYS 1246 HB3 0.04 -0.05 0.02 -0.04 1.79 1.77 2nz8B1 LYS 1246 HG2 0.03 -0.05 0.03 -0.04 1.46 1.43 2nz8B1 LYS 1246 HG3 0.04 0.20 0.08 -0.04 1.46 1.75 2nz8B1 LYS 1246 HD2 0.03 -0.00 -0.01 -0.04 1.69 1.66 2nz8B1 LYS 1246 HD3 0.02 -0.02 -0.00 -0.04 1.68 1.63 2nz8B1 LYS 1246 HE2 0.01 -0.01 -0.03 -0.04 2.99 2.92 2nz8B1 LYS 1246 HE3 0.02 -0.00 -0.08 -0.04 2.99 2.89 2nz8B1 ALA 1247 H 0.08 0.63 -0.09 -0.55 8.40 8.48 2nz8B1 ALA 1247 HA 0.07 0.00 0.44 -0.75 4.34 4.10 2nz8B1 ALA 1247 HB3 0.07 0.02 0.11 -0.04 1.41 1.57 2nz8B1 TYR 1248 H 0.20 0.58 -0.25 -0.55 8.29 8.27 2nz8B1 TYR 1248 HA 0.04 -0.01 0.46 -0.75 4.56 4.30 2nz8B1 TYR 1248 HB2 -0.00 0.08 0.15 -0.04 3.06 3.25 2nz8B1 TYR 1248 HB3 0.01 0.14 0.22 -0.04 2.98 3.31 2nz8B1 TYR 1248 HD2 -0.10 0.01 -0.01 -0.04 7.15 7.01 2nz8B1 TYR 1248 HE2 -0.37 -0.04 -0.22 -0.04 6.85 6.18 2nz8B1 VAL 1249 H 0.11 0.63 -0.06 -0.55 8.24 8.36 2nz8B1 VAL 1249 HA -0.07 -0.03 0.47 -0.75 4.13 3.74 2nz8B1 VAL 1249 HB 0.05 0.13 0.16 -0.04 2.12 2.43 2nz8B1 VAL 1249 HG13 0.02 -0.01 -0.07 -0.04 0.97 0.87 2nz8B1 VAL 1249 HG23 0.05 0.05 -0.02 -0.04 0.95 0.99 2nz8B1 ARG 1250 H 0.06 0.62 -0.12 -0.55 8.46 8.47 2nz8B1 ARG 1250 HA 0.04 -0.01 0.43 -0.75 4.34 4.05 2nz8B1 ARG 1250 HB2 0.06 0.13 0.17 -0.04 1.90 2.22 2nz8B1 ARG 1250 HB3 0.05 -0.06 0.00 -0.04 1.80 1.75 2nz8B1 ARG 1250 HG2 0.04 -0.06 0.03 -0.04 1.67 1.64 2nz8B1 ARG 1250 HG3 0.05 0.22 0.04 -0.04 1.67 1.94 2nz8B1 ARG 1250 HD2 0.03 -0.02 -0.01 -0.04 3.22 3.18 2nz8B1 ARG 1250 HD3 0.03 -0.01 -0.03 -0.04 3.22 3.16 2nz8B1 ASP 1251 H 0.07 0.65 -0.13 -0.55 8.40 8.44 2nz8B1 ASP 1251 HA 0.23 -0.03 0.48 -0.75 4.63 4.56 2nz8B1 ASP 1251 HB2 0.11 0.15 0.24 -0.04 2.71 3.17 2nz8B1 ASP 1251 HB3 0.29 -0.07 0.03 -0.04 2.70 2.90 2nz8B1 LEU 1252 H -0.11 0.64 -0.03 -0.55 8.37 8.33 2nz8B1 LEU 1252 HA -0.08 -0.00 0.50 -0.75 4.35 4.02 2nz8B1 LEU 1252 HB2 0.00 0.12 0.17 -0.04 1.64 1.89 2nz8B1 LEU 1252 HB3 -0.06 -0.08 0.03 -0.04 1.64 1.48 2nz8B1 LEU 1252 HG -0.63 0.25 0.08 -0.04 1.64 1.30 2nz8B1 LEU 1252 HD13 -0.35 -0.02 -0.07 -0.04 0.93 0.45 2nz8B1 LEU 1252 HD23 -0.12 -0.02 0.00 -0.04 0.89 0.71 2nz8B1 ARG 1253 H -0.08 0.67 -0.08 -0.55 8.46 8.42 2nz8B1 ARG 1253 HA -0.49 -0.02 0.47 -0.75 4.34 3.54 2nz8B1 ARG 1253 HB2 -0.05 0.04 0.10 -0.04 1.90 1.94 2nz8B1 ARG 1253 HB3 -0.06 0.11 0.15 -0.04 1.80 1.97 2nz8B1 ARG 1253 HG2 -0.04 0.00 -0.03 -0.04 1.67 1.57 2nz8B1 ARG 1253 HG3 -0.15 -0.02 -0.14 -0.04 1.67 1.33 2nz8B1 ARG 1253 HD2 -0.58 -0.01 0.00 -0.04 3.22 2.60 2nz8B1 ARG 1253 HD3 -0.08 0.01 -0.02 -0.04 3.22 3.09 2nz8B1 GLU 1254 H -0.11 0.71 -0.07 -0.55 8.60 8.58 2nz8B1 GLU 1254 HA -0.16 0.02 0.44 -0.75 4.29 3.84 2nz8B1 GLU 1254 HB2 -0.08 0.12 0.21 -0.04 2.09 2.30 2nz8B1 GLU 1254 HB3 -0.17 -0.07 -0.04 -0.04 1.99 1.67 2nz8B1 GLU 1254 HG2 -0.04 -0.03 0.04 -0.04 2.34 2.26 2nz8B1 GLU 1254 HG3 0.04 0.06 -0.01 -0.04 2.34 2.39 2nz8B1 CYS 1255 H -0.46 0.68 -0.05 -0.55 8.50 8.13 2nz8B1 CYS 1255 HA -0.44 -0.06 0.51 -0.75 4.58 3.83 2nz8B1 CYS 1255 HB2 -0.55 0.06 0.15 -0.04 2.97 2.58 2nz8B1 CYS 1255 HB3 -0.14 0.14 0.17 -0.04 2.97 3.10 2nz8B1 MET 1256 H -0.22 0.61 -0.15 -0.55 8.47 8.16 2nz8B1 MET 1256 HA -0.24 -0.08 0.48 -0.75 4.52 3.92 2nz8B1 MET 1256 HB2 -0.28 0.14 0.11 -0.04 2.15 2.08 2nz8B1 MET 1256 HB3 -0.20 -0.04 0.02 -0.04 2.03 1.77 2nz8B1 MET 1256 HG2 -0.19 -0.09 -0.03 -0.04 2.63 2.28 2nz8B1 MET 1256 HG3 -0.17 0.25 0.06 -0.04 2.56 2.66 2nz8B1 MET 1256 HE3 -0.63 0.01 -0.14 -0.04 2.10 1.31 2nz8B1 ASP 1257 H -0.19 0.59 -0.12 -0.55 8.40 8.13 2nz8B1 ASP 1257 HA -0.11 0.02 0.47 -0.75 4.63 4.25 2nz8B1 ASP 1257 HB2 -0.17 0.11 0.18 -0.04 2.71 2.80 2nz8B1 ASP 1257 HB3 -0.17 -0.04 -0.02 -0.04 2.70 2.43 2nz8B1 THR 1258 H -0.17 0.25 -0.47 -0.55 8.28 7.34 2nz8B1 THR 1258 HA -0.18 0.21 0.83 -0.75 4.39 4.50 2nz8B1 THR 1258 HB -0.81 -0.02 0.01 -0.04 4.32 3.46 2nz8B1 THR 1258 HG23 -0.16 0.03 -0.09 -0.04 1.22 0.96 2nz8B1 TYR 1259 H -0.26 0.23 0.19 -0.55 8.29 7.91 2nz8B1 TYR 1259 HA 0.18 0.03 0.32 -0.75 4.56 4.34 2nz8B1 TYR 1259 HB2 0.27 0.08 0.18 -0.04 3.06 3.55 2nz8B1 TYR 1259 HB3 0.32 -0.03 0.05 -0.04 2.98 3.28 2nz8B1 TYR 1259 HD2 0.15 0.02 0.08 -0.04 7.15 7.36 2nz8B1 TYR 1259 HE2 0.28 0.14 -0.07 -0.04 6.85 7.16 2nz8B1 LEU 1260 H -0.02 0.41 0.01 -0.55 8.37 8.22 2nz8B1 LEU 1260 HA -0.30 0.01 0.48 -0.75 4.35 3.78 2nz8B1 LEU 1260 HB2 -1.37 -0.04 0.07 -0.04 1.64 0.26 2nz8B1 LEU 1260 HB3 -0.33 0.19 0.23 -0.04 1.64 1.69 2nz8B1 LEU 1260 HG -0.21 0.06 -0.20 -0.04 1.64 1.25 2nz8B1 LEU 1260 HD13 -0.43 -0.02 0.01 -0.04 0.93 0.45 2nz8B1 LEU 1260 HD23 -0.30 -0.01 -0.02 -0.04 0.89 0.51 2nz8B1 TRP 1261 H 0.14 0.35 -0.29 -0.55 7.97 7.63 2nz8B1 TRP 1261 HA -0.05 -0.02 0.37 -0.75 4.62 4.16 2nz8B1 TRP 1261 HB2 -0.08 0.06 0.08 -0.04 3.23 3.25 2nz8B1 TRP 1261 HB3 -0.05 0.21 -0.10 -0.04 3.23 3.24 2nz8B1 TRP 1261 HD1 -0.04 -0.03 0.00 -0.04 7.22 7.11 2nz8B1 TRP 1261 HE1 -0.01 -0.02 -0.02 -0.04 10.20 10.11 2nz8B1 TRP 1261 HE3 0.03 0.06 -0.30 -0.04 7.59 7.34 2nz8B1 TRP 1261 HZ2 0.00 -0.01 -0.03 -0.04 7.44 7.36 2nz8B1 TRP 1261 HZ3 0.05 -0.08 -0.05 -0.04 7.13 7.01 2nz8B1 TRP 1261 HH2 0.01 -0.02 -0.04 -0.04 7.19 7.10 2nz8B1 GLU 1262 H 0.28 0.58 -0.30 -0.55 8.60 8.61 2nz8B1 GLU 1262 HA 0.05 -0.02 0.45 -0.75 4.29 4.02 2nz8B1 GLU 1262 HB2 0.19 0.09 0.11 -0.04 2.09 2.44 2nz8B1 GLU 1262 HB3 0.14 -0.06 0.02 -0.04 1.99 2.05 2nz8B1 GLU 1262 HG2 0.28 0.26 0.07 -0.04 2.34 2.90 2nz8B1 GLU 1262 HG3 0.06 -0.09 -0.02 -0.04 2.34 2.24 2nz8B1 MET 1263 H 0.21 0.39 -0.16 -0.55 8.47 8.36 2nz8B1 MET 1263 HA 0.15 0.05 0.47 -0.75 4.52 4.44 2nz8B1 MET 1263 HB2 0.21 0.19 0.23 -0.04 2.15 2.74 2nz8B1 MET 1263 HB3 0.14 -0.11 -0.02 -0.04 2.03 2.00 2nz8B1 MET 1263 HG2 0.30 -0.02 0.02 -0.04 2.63 2.89 2nz8B1 MET 1263 HG3 0.67 0.12 0.07 -0.04 2.56 3.38 2nz8B1 MET 1263 HE3 0.12 0.01 -0.07 -0.04 2.10 2.12 2nz8B1 THR 1264 H -0.11 0.40 -0.09 -0.55 8.28 7.93 2nz8B1 THR 1264 HA -0.10 0.07 0.63 -0.75 4.39 4.24 2nz8B1 THR 1264 HB -0.13 -0.03 0.05 -0.04 4.32 4.17 2nz8B1 THR 1264 HG23 -0.06 -0.01 -0.01 -0.04 1.22 1.11 2nz8B1 SER 1265 H -0.57 0.46 -0.00 -0.55 8.46 7.80 2nz8B1 SER 1265 HA -0.39 0.17 0.90 -0.75 4.49 4.42 2nz8B1 SER 1265 HB2 -2.21 0.02 -0.01 -0.04 3.95 1.71 2nz8B1 SER 1265 HB3 -0.54 -0.05 0.10 -0.04 3.93 3.40 2nz8B1 GLY 1266 H -0.41 0.26 0.02 -0.55 8.43 7.75 2nz8B1 GLY 1266 HA2 -0.36 -0.01 0.44 -0.51 4.01 3.57 2nz8B1 GLY 1266 HA3 -0.11 0.03 0.43 -0.51 4.01 3.85 2nz8B1 VAL 1267 H 0.07 0.02 0.19 -0.55 8.24 7.97 2nz8B1 VAL 1267 HA -0.00 0.19 0.55 -0.75 4.13 4.10 2nz8B1 VAL 1267 HB 0.07 -0.05 0.09 -0.04 2.12 2.19 2nz8B1 VAL 1267 HG13 0.03 -0.01 -0.01 -0.04 0.97 0.94 2nz8B1 VAL 1267 HG23 0.08 0.01 0.03 -0.04 0.95 1.03 2nz8B1 GLU 1268 H 0.08 -0.03 -0.00 -0.55 8.60 8.10 2nz8B1 GLU 1268 HA 0.05 0.03 0.39 -0.75 4.29 4.01 2nz8B1 GLU 1268 HB2 0.15 0.04 -0.01 -0.04 2.09 2.23 2nz8B1 GLU 1268 HB3 0.10 0.01 0.07 -0.04 1.99 2.12 2nz8B1 GLU 1268 HG2 0.08 -0.11 0.07 -0.04 2.34 2.34 2nz8B1 GLU 1268 HG3 0.07 0.01 0.02 -0.04 2.34 2.40 2nz8B1 GLU 1269 H 0.05 0.03 0.15 -0.55 8.60 8.27 2nz8B1 GLU 1269 HA -0.01 0.08 0.43 -0.75 4.29 4.03 2nz8B1 GLU 1269 HB2 0.01 -0.01 0.13 -0.04 2.09 2.18 2nz8B1 GLU 1269 HB3 0.02 -0.06 0.04 -0.04 1.99 1.95 2nz8B1 GLU 1269 HG2 -0.05 0.10 -0.21 -0.04 2.34 2.15 2nz8B1 GLU 1269 HG3 -0.03 0.01 0.06 -0.04 2.34 2.34 2nz8B1 ILE 1270 H -0.09 0.16 0.17 -0.55 8.25 7.94 2nz8B1 ILE 1270 HA -0.66 0.14 0.80 -0.75 4.18 3.71 2nz8B1 ILE 1270 HB -0.17 -0.05 0.11 -0.04 1.89 1.74 2nz8B1 ILE 1270 HG12 -0.21 -0.06 -0.05 -0.04 1.49 1.14 2nz8B1 ILE 1270 HG13 -0.07 0.13 -0.24 -0.04 1.21 0.98 2nz8B1 ILE 1270 HG23 -0.40 0.01 -0.07 -0.04 0.93 0.43 2nz8B1 ILE 1270 HD13 -0.07 0.02 0.05 -0.04 0.88 0.84 2nz8B1 PRO 1271 HA -0.09 0.12 0.52 -0.51 4.44 4.47 2nz8B1 PRO 1271 HB2 -0.11 -0.07 0.10 -0.04 2.28 2.16 2nz8B1 PRO 1271 HB3 -0.06 0.10 0.16 -0.04 2.02 2.18 2nz8B1 PRO 1271 HG2 -0.18 0.07 0.21 -0.04 2.03 2.08 2nz8B1 PRO 1271 HG3 -0.11 0.02 0.11 -0.04 2.03 2.01 2nz8B1 PRO 1271 HD2 -0.81 0.04 0.21 -0.04 3.68 3.07 2nz8B1 PRO 1271 HD3 -0.67 0.21 0.22 -0.04 3.65 3.38 2nz8B1 PRO 1272 HA -0.06 0.10 0.42 -0.51 4.44 4.39 2nz8B1 PRO 1272 HB2 -0.02 0.04 0.04 -0.04 2.28 2.29 2nz8B1 PRO 1272 HB3 -0.03 0.04 0.13 -0.04 2.02 2.12 2nz8B1 PRO 1272 HG2 -0.02 0.04 0.12 -0.04 2.03 2.12 2nz8B1 PRO 1272 HG3 -0.03 0.07 0.14 -0.04 2.03 2.17 2nz8B1 PRO 1272 HD2 -0.02 0.10 0.24 -0.04 3.68 3.96 2nz8B1 PRO 1272 HD3 -0.05 0.14 0.28 -0.04 3.65 3.98 2nz8B1 GLY 1273 H -0.02 0.13 -0.20 -0.55 8.43 7.80 2nz8B1 GLY 1273 HA2 -0.14 0.10 0.43 -0.51 4.01 3.90 2nz8B1 GLY 1273 HA3 -0.05 0.03 0.28 -0.51 4.01 3.76 2nz8B1 ILE 1274 H -0.07 0.29 -0.36 -0.55 8.25 7.56 2nz8B1 ILE 1274 HA -0.04 0.25 0.93 -0.75 4.18 4.57 2nz8B1 ILE 1274 HB 0.06 -0.09 0.01 -0.04 1.89 1.83 2nz8B1 ILE 1274 HG12 -0.18 0.05 -0.03 -0.04 1.49 1.29 2nz8B1 ILE 1274 HG13 -0.17 0.06 -0.28 -0.04 1.21 0.77 2nz8B1 ILE 1274 HG23 0.08 -0.00 -0.33 -0.04 0.93 0.63 2nz8B1 ILE 1274 HD13 -0.27 -0.03 -0.03 -0.04 0.88 0.51 2nz8B1 VAL 1275 H -0.08 0.22 -0.12 -0.55 8.24 7.71 2nz8B1 VAL 1275 HA -0.07 -0.02 0.39 -0.75 4.13 3.68 2nz8B1 VAL 1275 HB -0.09 0.11 0.06 -0.04 2.12 2.16 2nz8B1 VAL 1275 HG13 -0.05 0.02 -0.07 -0.04 0.97 0.83 2nz8B1 VAL 1275 HG23 -0.08 -0.01 0.04 -0.04 0.95 0.86 2nz8B1 ASN 1276 H -0.02 0.16 0.20 -0.55 8.53 8.32 2nz8B1 ASN 1276 HA -0.01 -0.02 0.37 -0.75 4.76 4.35 2nz8B1 ASN 1276 HB2 -0.02 0.24 -0.01 -0.04 2.88 3.04 2nz8B1 ASN 1276 HB3 -0.01 -0.05 0.22 -0.04 2.79 2.91 2nz8B1 ASN 1276 HD21 -0.03 0.00 -0.02 -0.04 7.03 6.94 2nz8B1 ASN 1276 HD22 -0.02 0.02 -0.04 -0.04 7.74 7.66 2nz8B1 LYS 1277 H 0.02 0.51 -0.29 -0.55 8.42 8.11 2nz8B1 LYS 1277 HA 0.02 0.17 0.90 -0.75 4.32 4.65 2nz8B1 LYS 1277 HB2 0.01 0.14 0.04 -0.04 1.87 2.02 2nz8B1 LYS 1277 HB3 0.00 -0.13 0.18 -0.04 1.79 1.80 2nz8B1 LYS 1277 HG2 -0.02 -0.01 -0.18 -0.04 1.46 1.21 2nz8B1 LYS 1277 HG3 -0.03 0.27 -0.43 -0.04 1.46 1.22 2nz8B1 LYS 1277 HD2 -0.09 0.27 0.00 -0.04 1.69 1.83 2nz8B1 LYS 1277 HD3 -0.05 -0.11 0.01 -0.04 1.68 1.49 2nz8B1 LYS 1277 HE2 -0.05 -0.06 -0.05 -0.04 2.99 2.80 2nz8B1 LYS 1277 HE3 -0.08 0.07 -0.07 -0.04 2.99 2.87 2nz8B1 GLU 1278 H 0.08 0.18 -0.20 -0.55 8.60 8.11 2nz8B1 GLU 1278 HA 0.31 0.06 0.38 -0.75 4.29 4.29 2nz8B1 GLU 1278 HB2 0.21 -0.00 0.06 -0.04 2.09 2.32 2nz8B1 GLU 1278 HB3 0.18 0.06 0.07 -0.04 1.99 2.26 2nz8B1 GLU 1278 HG2 0.07 -0.02 -0.09 -0.04 2.34 2.26 2nz8B1 GLU 1278 HG3 0.02 0.05 -0.05 -0.04 2.34 2.31 2nz8B1 LEU 1279 H 0.08 0.15 -0.28 -0.55 8.37 7.76 2nz8B1 LEU 1279 HA 0.10 0.13 0.46 -0.75 4.35 4.29 2nz8B1 LEU 1279 HB2 0.04 0.02 0.04 -0.04 1.64 1.69 2nz8B1 LEU 1279 HB3 0.03 0.05 -0.09 -0.04 1.64 1.59 2nz8B1 LEU 1279 HG 0.04 0.03 0.00 -0.04 1.64 1.68 2nz8B1 LEU 1279 HD13 0.04 -0.01 -0.07 -0.04 0.93 0.85 2nz8B1 LEU 1279 HD23 0.02 0.01 -0.02 -0.04 0.89 0.87 2nz8B1 ILE 1280 H 0.04 0.20 -0.24 -0.55 8.25 7.70 2nz8B1 ILE 1280 HA -0.01 0.09 0.59 -0.75 4.18 4.09 2nz8B1 ILE 1280 HB 0.00 0.12 0.15 -0.04 1.89 2.12 2nz8B1 ILE 1280 HG12 -0.01 0.01 0.00 -0.04 1.49 1.45 2nz8B1 ILE 1280 HG13 0.00 -0.11 -0.00 -0.04 1.21 1.06 2nz8B1 ILE 1280 HG23 -0.03 -0.00 -0.19 -0.04 0.93 0.67 2nz8B1 ILE 1280 HD13 -0.02 0.02 0.02 -0.04 0.88 0.86 2nz8B1 ILE 1281 H 0.03 0.39 -0.03 -0.55 8.25 8.09 2nz8B1 ILE 1281 HA -0.16 0.04 0.32 -0.75 4.18 3.63 2nz8B1 ILE 1281 HB -0.07 -0.01 0.12 -0.04 1.89 1.89 2nz8B1 ILE 1281 HG12 -0.06 -0.00 -0.00 -0.04 1.49 1.39 2nz8B1 ILE 1281 HG13 0.00 0.05 0.03 -0.04 1.21 1.24 2nz8B1 ILE 1281 HG23 -0.90 -0.02 -0.15 -0.04 0.93 -0.18 2nz8B1 ILE 1281 HD13 0.22 -0.01 -0.08 -0.04 0.88 0.96 2nz8B1 PHE 1282 H 0.20 0.60 -0.05 -0.55 8.34 8.54 2nz8B1 PHE 1282 HA 0.04 0.13 0.65 -0.75 4.62 4.68 2nz8B1 PHE 1282 HB2 0.04 0.14 0.05 -0.04 3.15 3.34 2nz8B1 PHE 1282 HB3 0.06 -0.14 0.09 -0.04 3.06 3.03 2nz8B1 PHE 1282 HD2 0.03 0.11 0.04 -0.04 7.28 7.43 2nz8B1 PHE 1282 HE2 0.09 -0.01 -0.05 -0.04 7.38 7.37 2nz8B1 PHE 1282 HZ 0.15 -0.02 -0.37 -0.04 7.32 7.04 2nz8B1 GLY 1283 H 0.04 0.25 -0.50 -0.55 8.43 7.67 2nz8B1 GLY 1283 HA2 0.01 0.24 0.36 -0.51 4.01 4.11 2nz8B1 GLY 1283 HA3 -0.05 -0.02 0.42 -0.51 4.01 3.84 2nz8B1 ASN 1284 H 0.18 0.17 0.12 -0.55 8.53 8.46 2nz8B1 ASN 1284 HA 0.10 0.18 0.85 -0.75 4.76 5.14 2nz8B1 ASN 1284 HB2 0.06 -0.10 0.20 -0.04 2.88 3.01 2nz8B1 ASN 1284 HB3 0.07 0.08 0.06 -0.04 2.79 2.96 2nz8B1 ASN 1284 HD21 0.04 0.40 0.16 -0.04 7.03 7.58 2nz8B1 ASN 1284 HD22 0.03 -0.05 0.08 -0.04 7.74 7.76 2nz8B1 MET 1285 H 0.24 0.63 -0.39 -0.55 8.47 8.41 2nz8B1 MET 1285 HA 0.05 0.02 0.41 -0.75 4.52 4.24 2nz8B1 MET 1285 HB2 0.30 0.24 0.16 -0.04 2.15 2.81 2nz8B1 MET 1285 HB3 0.16 -0.03 0.06 -0.04 2.03 2.19 2nz8B1 MET 1285 HG2 0.02 -0.05 -0.18 -0.04 2.63 2.39 2nz8B1 MET 1285 HG3 0.01 -0.05 0.07 -0.04 2.56 2.56 2nz8B1 MET 1285 HE3 0.19 0.02 -0.03 -0.04 2.10 2.24 2nz8B1 GLN 1286 H 0.08 0.20 -0.22 -0.55 8.47 7.98 2nz8B1 GLN 1286 HA 0.08 0.07 0.38 -0.75 4.36 4.14 2nz8B1 GLN 1286 HB2 0.01 0.04 0.05 -0.04 2.15 2.21 2nz8B1 GLN 1286 HB3 0.04 0.01 0.02 -0.04 2.02 2.06 2nz8B1 GLN 1286 HG2 0.08 -0.02 -0.17 -0.04 2.40 2.25 2nz8B1 GLN 1286 HG3 0.04 0.01 0.00 -0.04 2.39 2.41 2nz8B1 GLN 1286 HE21 0.02 0.03 -0.04 -0.04 6.97 6.94 2nz8B1 GLN 1286 HE22 0.04 -0.02 -0.06 -0.04 7.69 7.62 2nz8B1 GLU 1287 H 0.06 0.15 -0.19 -0.55 8.60 8.08 2nz8B1 GLU 1287 HA 0.05 0.04 0.48 -0.75 4.29 4.11 2nz8B1 GLU 1287 HB2 0.03 -0.02 0.12 -0.04 2.09 2.18 2nz8B1 GLU 1287 HB3 0.03 0.18 0.13 -0.04 1.99 2.29 2nz8B1 GLU 1287 HG2 -0.01 -0.01 -0.11 -0.04 2.34 2.17 2nz8B1 GLU 1287 HG3 0.01 -0.01 0.06 -0.04 2.34 2.36 2nz8B1 ILE 1288 H 0.05 0.44 -0.23 -0.55 8.25 7.95 2nz8B1 ILE 1288 HA 0.11 0.02 0.47 -0.75 4.18 4.02 2nz8B1 ILE 1288 HB -0.03 0.13 0.19 -0.04 1.89 2.14 2nz8B1 ILE 1288 HG12 -0.34 -0.05 -0.07 -0.04 1.49 0.99 2nz8B1 ILE 1288 HG13 -0.09 0.12 -0.02 -0.04 1.21 1.18 2nz8B1 ILE 1288 HG23 0.10 -0.02 -0.08 -0.04 0.93 0.89 2nz8B1 ILE 1288 HD13 -0.47 -0.00 -0.09 -0.04 0.88 0.27 2nz8B1 TYR 1289 H 0.16 0.73 0.06 -0.55 8.29 8.69 2nz8B1 TYR 1289 HA -0.02 -0.02 0.43 -0.75 4.56 4.20 2nz8B1 TYR 1289 HB2 -0.07 -0.01 0.06 -0.04 3.06 3.00 2nz8B1 TYR 1289 HB3 -0.02 0.08 0.16 -0.04 2.98 3.16 2nz8B1 TYR 1289 HD2 -0.06 0.02 -0.03 -0.04 7.15 7.04 2nz8B1 TYR 1289 HE2 -0.04 0.03 -0.05 -0.04 6.85 6.75 2nz8B1 GLU 1290 H 0.12 0.65 -0.12 -0.55 8.60 8.71 2nz8B1 GLU 1290 HA -0.19 0.01 0.40 -0.75 4.29 3.76 2nz8B1 GLU 1290 HB2 0.04 0.09 0.16 -0.04 2.09 2.34 2nz8B1 GLU 1290 HB3 -0.00 -0.03 0.01 -0.04 1.99 1.92 2nz8B1 GLU 1290 HG2 0.06 -0.03 0.02 -0.04 2.34 2.35 2nz8B1 GLU 1290 HG3 0.17 0.07 0.06 -0.04 2.34 2.60 2nz8B1 PHE 1291 H 0.10 0.52 -0.18 -0.55 8.34 8.23 2nz8B1 PHE 1291 HA -0.22 0.02 0.48 -0.75 4.62 4.14 2nz8B1 PHE 1291 HB2 -0.19 0.04 0.16 -0.04 3.15 3.12 2nz8B1 PHE 1291 HB3 -0.18 0.15 0.24 -0.04 3.06 3.23 2nz8B1 PHE 1291 HD2 -0.51 0.03 0.03 -0.04 7.28 6.79 2nz8B1 PHE 1291 HE2 -1.31 0.01 -0.04 -0.04 7.38 6.00 2nz8B1 PHE 1291 HZ -0.96 0.05 -0.03 -0.04 7.32 6.34 2nz8B1 HIS 1292 H -0.03 0.63 0.01 -0.55 8.41 8.48 2nz8B1 HIS 1292 HA -0.52 -0.14 0.46 -0.75 4.63 3.67 2nz8B1 HIS 1292 HB2 -0.07 0.12 0.15 -0.04 3.26 3.42 2nz8B1 HIS 1292 HB3 0.01 -0.03 0.04 -0.04 3.20 3.18 2nz8B1 HIS 1292 HD2 0.26 0.26 0.05 -0.04 6.97 7.49 2nz8B1 HIS 1292 HE1 0.52 0.00 -0.04 -0.04 7.75 8.20 2nz8B1 ASN 1293 H -0.32 0.78 -0.04 -0.55 8.53 8.40 2nz8B1 ASN 1293 HA -0.20 0.01 0.49 -0.75 4.76 4.30 2nz8B1 ASN 1293 HB2 -0.98 -0.00 0.09 -0.04 2.88 1.96 2nz8B1 ASN 1293 HB3 -0.62 0.03 0.04 -0.04 2.79 2.20 2nz8B1 ASN 1293 HD21 -0.05 -0.02 -0.06 -0.04 7.03 6.86 2nz8B1 ASN 1293 HD22 -0.20 0.01 -0.11 -0.04 7.74 7.39 2nz8B1 ASN 1294 H -0.24 0.60 -0.07 -0.55 8.53 8.28 2nz8B1 ASN 1294 HA -0.14 0.11 0.68 -0.75 4.76 4.67 2nz8B1 ASN 1294 HB2 -0.13 0.10 0.12 -0.04 2.88 2.93 2nz8B1 ASN 1294 HB3 -0.10 -0.06 0.04 -0.04 2.79 2.63 2nz8B1 ASN 1294 HD21 -0.04 -0.06 0.01 -0.04 7.03 6.90 2nz8B1 ASN 1294 HD22 -0.05 -0.02 -0.01 -0.04 7.74 7.62 2nz8B1 ILE 1295 H -0.34 0.42 0.01 -0.55 8.25 7.79 2nz8B1 ILE 1295 HA -0.31 0.21 0.97 -0.75 4.18 4.29 2nz8B1 ILE 1295 HB -0.52 0.10 0.21 -0.04 1.89 1.65 2nz8B1 ILE 1295 HG12 -0.36 0.01 -0.05 -0.04 1.49 1.05 2nz8B1 ILE 1295 HG13 -0.22 -0.05 -0.35 -0.04 1.21 0.55 2nz8B1 ILE 1295 HG23 -1.46 -0.02 -0.12 -0.04 0.93 -0.71 2nz8B1 ILE 1295 HD13 -0.17 -0.01 -0.00 -0.04 0.88 0.65 2nz8B1 PHE 1296 H -0.70 0.44 0.25 -0.55 8.34 7.78 2nz8B1 PHE 1296 HA -0.58 0.05 0.06 -0.75 4.62 3.39 2nz8B1 PHE 1296 HB2 -1.88 0.02 0.02 -0.04 3.15 1.27 2nz8B1 PHE 1296 HB3 -0.70 0.01 0.09 -0.04 3.06 2.41 2nz8B1 PHE 1296 HD2 -0.16 0.01 -0.08 -0.04 7.28 7.01 2nz8B1 PHE 1296 HE2 -0.10 0.09 -0.19 -0.04 7.38 7.13 2nz8B1 PHE 1296 HZ -1.90 -0.03 -0.16 -0.04 7.32 5.18 2nz8B1 LEU 1297 H -0.15 0.69 0.15 -0.55 8.37 8.51 2nz8B1 LEU 1297 HA -0.09 -0.01 0.44 -0.75 4.35 3.94 2nz8B1 LEU 1297 HB2 0.02 -0.03 0.05 -0.04 1.64 1.65 2nz8B1 LEU 1297 HB3 -0.08 0.16 0.10 -0.04 1.64 1.78 2nz8B1 LEU 1297 HG -0.04 0.02 -0.22 -0.04 1.64 1.36 2nz8B1 LEU 1297 HD13 0.01 -0.03 0.01 -0.04 0.93 0.88 2nz8B1 LEU 1297 HD23 0.00 0.01 -0.05 -0.04 0.89 0.81 2nz8B1 LYS 1298 H -0.17 0.21 -0.39 -0.55 8.42 7.52 2nz8B1 LYS 1298 HA -0.08 0.02 0.36 -0.75 4.32 3.86 2nz8B1 LYS 1298 HB2 -0.13 0.15 0.01 -0.04 1.87 1.86 2nz8B1 LYS 1298 HB3 -0.07 -0.03 0.00 -0.04 1.79 1.64 2nz8B1 LYS 1298 HG2 -0.08 -0.07 -0.04 -0.04 1.46 1.24 2nz8B1 LYS 1298 HG3 -0.13 0.02 -0.18 -0.04 1.46 1.14 2nz8B1 LYS 1298 HD2 -0.09 0.15 0.04 -0.04 1.69 1.75 2nz8B1 LYS 1298 HD3 -0.06 -0.09 0.01 -0.04 1.68 1.50 2nz8B1 LYS 1298 HE2 -0.07 -0.08 0.03 -0.04 2.99 2.83 2nz8B1 LYS 1298 HE3 -0.10 0.20 0.13 -0.04 2.99 3.17 2nz8B1 GLU 1299 H -0.23 0.48 -0.17 -0.55 8.60 8.13 2nz8B1 GLU 1299 HA -0.01 0.03 0.43 -0.75 4.29 3.98 2nz8B1 GLU 1299 HB2 -0.39 0.10 0.14 -0.04 2.09 1.90 2nz8B1 GLU 1299 HB3 0.05 -0.08 -0.01 -0.04 1.99 1.90 2nz8B1 GLU 1299 HG2 -0.07 0.09 0.04 -0.04 2.34 2.36 2nz8B1 GLU 1299 HG3 -0.07 -0.05 -0.05 -0.04 2.34 2.13 2nz8B1 LEU 1300 H -0.38 0.64 -0.03 -0.55 8.37 8.05 2nz8B1 LEU 1300 HA -0.08 -0.02 0.44 -0.75 4.35 3.94 2nz8B1 LEU 1300 HB2 -0.16 0.13 0.16 -0.04 1.64 1.73 2nz8B1 LEU 1300 HB3 -0.06 -0.05 -0.05 -0.04 1.64 1.44 2nz8B1 LEU 1300 HG -1.00 0.15 0.01 -0.04 1.64 0.77 2nz8B1 LEU 1300 HD13 0.12 -0.02 -0.09 -0.04 0.93 0.91 2nz8B1 LEU 1300 HD23 -0.38 -0.03 -0.04 -0.04 0.89 0.41 2nz8B1 GLU 1301 H -0.07 0.64 -0.12 -0.55 8.60 8.51 2nz8B1 GLU 1301 HA -0.00 -0.01 0.41 -0.75 4.29 3.93 2nz8B1 GLU 1301 HB2 -0.04 0.15 0.11 -0.04 2.09 2.26 2nz8B1 GLU 1301 HB3 -0.02 -0.05 0.05 -0.04 1.99 1.92 2nz8B1 GLU 1301 HG2 -0.01 -0.07 0.03 -0.04 2.34 2.26 2nz8B1 GLU 1301 HG3 -0.03 0.09 0.06 -0.04 2.34 2.42 2nz8B1 LYS 1302 H -0.04 0.37 -0.51 -0.55 8.42 7.69 2nz8B1 LYS 1302 HA -0.08 0.05 0.61 -0.75 4.32 4.15 2nz8B1 LYS 1302 HB2 -0.11 0.27 0.18 -0.04 1.87 2.17 2nz8B1 LYS 1302 HB3 -0.24 -0.09 0.03 -0.04 1.79 1.45 2nz8B1 LYS 1302 HG2 -0.07 -0.06 0.04 -0.04 1.46 1.32 2nz8B1 LYS 1302 HG3 -0.06 0.24 0.05 -0.04 1.46 1.65 2nz8B1 LYS 1302 HD2 -0.03 -0.01 -0.01 -0.04 1.69 1.60 2nz8B1 LYS 1302 HD3 -0.08 -0.05 0.00 -0.04 1.68 1.51 2nz8B1 LYS 1302 HE2 -0.03 0.03 -0.05 -0.04 2.99 2.89 2nz8B1 LYS 1302 HE3 -0.01 -0.03 -0.03 -0.04 2.99 2.88 2nz8B1 TYR 1303 H 0.11 0.44 -0.18 -0.55 8.29 8.11 2nz8B1 TYR 1303 HA 0.00 0.10 0.70 -0.75 4.56 4.61 2nz8B1 TYR 1303 HB2 -0.01 0.13 0.10 -0.04 3.06 3.24 2nz8B1 TYR 1303 HB3 0.02 -0.05 0.06 -0.04 2.98 2.98 2nz8B1 TYR 1303 HD2 -0.00 0.13 -0.04 -0.04 7.15 7.20 2nz8B1 TYR 1303 HE2 0.05 -0.03 -0.06 -0.04 6.85 6.78 2nz8B1 GLU 1304 H 0.03 0.29 -0.65 -0.55 8.60 7.73 2nz8B1 GLU 1304 HA 0.05 0.02 0.23 -0.75 4.29 3.84 2nz8B1 GLU 1304 HB2 0.01 0.12 0.15 -0.04 2.09 2.33 2nz8B1 GLU 1304 HB3 0.00 0.00 0.03 -0.04 1.99 1.98 2nz8B1 GLU 1304 HG2 0.00 -0.03 -0.16 -0.04 2.34 2.12 2nz8B1 GLU 1304 HG3 0.02 -0.04 0.02 -0.04 2.34 2.29 2nz8B1 GLN 1305 H 0.02 0.14 -0.39 -0.55 8.47 7.69 2nz8B1 GLN 1305 HA 0.02 0.19 0.88 -0.75 4.36 4.70 2nz8B1 GLN 1305 HB2 -0.00 0.02 0.03 -0.04 2.15 2.15 2nz8B1 GLN 1305 HB3 0.00 -0.02 0.18 -0.04 2.02 2.14 2nz8B1 GLN 1305 HG2 -0.01 0.03 -0.02 -0.04 2.40 2.36 2nz8B1 GLN 1305 HG3 -0.00 -0.04 -0.27 -0.04 2.39 2.04 2nz8B1 GLN 1305 HE21 -0.01 -0.01 -0.02 -0.04 6.97 6.89 2nz8B1 GLN 1305 HE22 -0.01 0.01 -0.05 -0.04 7.69 7.60 2nz8B1 LEU 1306 H 0.09 0.65 -0.34 -0.55 8.37 8.22 2nz8B1 LEU 1306 HA 0.07 0.16 0.79 -0.75 4.35 4.61 2nz8B1 LEU 1306 HB2 0.19 0.03 0.18 -0.04 1.64 2.00 2nz8B1 LEU 1306 HB3 0.16 -0.12 0.16 -0.04 1.64 1.80 2nz8B1 LEU 1306 HG 0.02 -0.01 -0.37 -0.04 1.64 1.24 2nz8B1 LEU 1306 HD13 -0.06 0.03 0.00 -0.04 0.93 0.86 2nz8B1 LEU 1306 HD23 0.03 0.01 0.04 -0.04 0.89 0.92 2nz8B1 PRO 1307 HA 0.08 0.10 0.33 -0.51 4.44 4.44 2nz8B1 PRO 1307 HB2 0.05 0.02 -0.04 -0.04 2.28 2.26 2nz8B1 PRO 1307 HB3 0.05 0.10 0.05 -0.04 2.02 2.18 2nz8B1 PRO 1307 HG2 0.04 -0.02 0.03 -0.04 2.03 2.04 2nz8B1 PRO 1307 HG3 0.03 0.08 -0.05 -0.04 2.03 2.06 2nz8B1 PRO 1307 HD2 0.04 0.16 -0.07 -0.04 3.68 3.77 2nz8B1 PRO 1307 HD3 0.05 0.16 -0.33 -0.04 3.65 3.49 2nz8B1 GLU 1308 H 0.05 0.18 -0.15 -0.55 8.60 8.13 2nz8B1 GLU 1308 HA 0.03 0.08 0.44 -0.75 4.29 4.08 2nz8B1 GLU 1308 HB2 0.03 0.04 0.09 -0.04 2.09 2.21 2nz8B1 GLU 1308 HB3 0.04 0.02 0.00 -0.04 1.99 2.02 2nz8B1 GLU 1308 HG2 0.03 -0.07 -0.18 -0.04 2.34 2.08 2nz8B1 GLU 1308 HG3 0.02 0.03 0.02 -0.04 2.34 2.37 2nz8B1 ASP 1309 H 0.09 0.34 -0.42 -0.55 8.40 7.87 2nz8B1 ASP 1309 HA 0.03 0.32 0.68 -0.75 4.63 4.91 2nz8B1 ASP 1309 HB2 0.25 0.12 0.08 -0.04 2.71 3.12 2nz8B1 ASP 1309 HB3 0.20 -0.04 0.15 -0.04 2.70 2.97 2nz8B1 VAL 1310 H -0.02 0.39 -0.23 -0.55 8.24 7.82 2nz8B1 VAL 1310 HA -0.84 0.08 0.34 -0.75 4.13 2.95 2nz8B1 VAL 1310 HB 0.01 0.13 0.08 -0.04 2.12 2.30 2nz8B1 VAL 1310 HG13 0.11 0.05 -0.09 -0.04 0.97 0.99 2nz8B1 VAL 1310 HG23 0.01 -0.01 0.02 -0.04 0.95 0.93 2nz8B1 GLY 1311 H 0.01 0.20 -0.47 -0.55 8.43 7.62 2nz8B1 GLY 1311 HA2 0.19 0.03 0.41 -0.51 4.01 4.13 2nz8B1 GLY 1311 HA3 0.06 0.15 0.03 -0.51 4.01 3.74 2nz8B1 HIS 1312 H 0.04 0.41 -0.28 -0.55 8.41 8.03 2nz8B1 HIS 1312 HA 0.02 -0.01 0.37 -0.75 4.63 4.25 2nz8B1 HIS 1312 HB2 0.00 0.01 0.14 -0.04 3.26 3.38 2nz8B1 HIS 1312 HB3 -0.08 0.14 0.07 -0.04 3.20 3.29 2nz8B1 HIS 1312 HD2 0.15 0.03 -0.17 -0.04 6.97 6.94 2nz8B1 HIS 1312 HE1 0.00 0.02 0.01 -0.04 7.75 7.73 2nz8B1 CYS 1313 H -0.14 0.34 -0.37 -0.55 8.50 7.78 2nz8B1 CYS 1313 HA 0.20 0.05 0.39 -0.75 4.58 4.46 2nz8B1 CYS 1313 HB2 -0.31 0.03 0.07 -0.04 2.97 2.72 2nz8B1 CYS 1313 HB3 -0.31 0.07 0.04 -0.04 2.97 2.73 2nz8B1 PHE 1314 H 0.28 0.30 -0.15 -0.55 8.34 8.22 2nz8B1 PHE 1314 HA 0.37 0.05 0.40 -0.75 4.62 4.68 2nz8B1 PHE 1314 HB2 0.00 0.06 0.17 -0.04 3.15 3.34 2nz8B1 PHE 1314 HB3 -0.10 0.02 0.02 -0.04 3.06 2.96 2nz8B1 PHE 1314 HD2 -0.27 0.05 0.01 -0.04 7.28 7.02 2nz8B1 PHE 1314 HE2 -0.49 -0.01 -0.08 -0.04 7.38 6.77 2nz8B1 PHE 1314 HZ 0.23 0.00 -0.06 -0.04 7.32 7.45 2nz8B1 VAL 1315 H 0.11 0.35 -0.19 -0.55 8.24 7.95 2nz8B1 VAL 1315 HA 0.02 0.04 0.41 -0.75 4.13 3.86 2nz8B1 VAL 1315 HB -0.19 0.09 0.13 -0.04 2.12 2.11 2nz8B1 VAL 1315 HG13 -0.08 -0.00 -0.11 -0.04 0.97 0.73 2nz8B1 VAL 1315 HG23 0.01 0.06 -0.17 -0.04 0.95 0.81 2nz8B1 THR 1316 H -0.22 0.66 -0.03 -0.55 8.28 8.13 2nz8B1 THR 1316 HA -0.35 0.01 0.37 -0.75 4.39 3.67 2nz8B1 THR 1316 HB -0.48 0.08 0.12 -0.04 4.32 4.01 2nz8B1 THR 1316 HG23 -0.96 -0.02 -0.05 -0.04 1.22 0.15 2nz8B1 TRP 1317 H 0.17 0.41 -0.35 -0.55 7.97 7.66 2nz8B1 TRP 1317 HA 0.04 0.11 0.71 -0.75 4.62 4.72 2nz8B1 TRP 1317 HB2 0.33 0.13 0.07 -0.04 3.23 3.72 2nz8B1 TRP 1317 HB3 0.15 -0.12 0.14 -0.04 3.23 3.37 2nz8B1 TRP 1317 HD1 0.27 0.17 0.05 -0.04 7.22 7.67 2nz8B1 TRP 1317 HE1 0.10 -0.00 -0.03 -0.04 10.20 10.23 2nz8B1 TRP 1317 HE3 0.04 -0.08 0.03 -0.04 7.59 7.54 2nz8B1 TRP 1317 HZ2 0.07 0.02 -0.03 -0.04 7.44 7.45 2nz8B1 TRP 1317 HZ3 0.04 -0.01 -0.01 -0.04 7.13 7.12 2nz8B1 TRP 1317 HH2 0.05 0.01 -0.02 -0.04 7.19 7.19 2nz8B1 ALA 1318 H 0.11 0.45 -0.44 -0.55 8.40 7.97 2nz8B1 ALA 1318 HA 0.30 0.03 0.38 -0.75 4.34 4.29 2nz8B1 ALA 1318 HB3 0.06 0.01 0.13 -0.04 1.41 1.57 2nz8B1 ASP 1319 H 0.05 0.19 -0.25 -0.55 8.40 7.84 2nz8B1 ASP 1319 HA 0.03 0.07 0.33 -0.75 4.63 4.30 2nz8B1 ASP 1319 HB2 0.00 0.01 0.05 -0.04 2.71 2.73 2nz8B1 ASP 1319 HB3 0.00 0.04 0.09 -0.04 2.70 2.79 2nz8B1 LYS 1320 H -0.07 0.26 -0.19 -0.55 8.42 7.87 2nz8B1 LYS 1320 HA -0.29 0.04 0.44 -0.75 4.32 3.75 2nz8B1 LYS 1320 HB2 -1.38 0.14 0.09 -0.04 1.87 0.68 2nz8B1 LYS 1320 HB3 -1.63 -0.05 0.08 -0.04 1.79 0.15 2nz8B1 LYS 1320 HG2 0.04 -0.06 0.08 -0.04 1.46 1.47 2nz8B1 LYS 1320 HG3 -0.08 0.01 0.07 -0.04 1.46 1.42 2nz8B1 LYS 1320 HD2 -0.32 -0.02 0.04 -0.04 1.69 1.36 2nz8B1 LYS 1320 HD3 -0.14 -0.01 0.01 -0.04 1.68 1.50 2nz8B1 LYS 1320 HE2 0.36 0.01 0.01 -0.04 2.99 3.33 2nz8B1 LYS 1320 HE3 0.24 0.01 0.01 -0.04 2.99 3.21 2nz8B1 PHE 1321 H -0.04 0.42 -0.23 -0.55 8.34 7.95 2nz8B1 PHE 1321 HA 0.14 0.01 0.44 -0.75 4.62 4.45 2nz8B1 PHE 1321 HB2 -0.02 0.24 0.13 -0.04 3.15 3.46 2nz8B1 PHE 1321 HB3 0.01 -0.06 0.10 -0.04 3.06 3.06 2nz8B1 PHE 1321 HD2 -0.07 0.05 -0.01 -0.04 7.28 7.21 2nz8B1 PHE 1321 HE2 -0.20 -0.01 -0.07 -0.04 7.38 7.07 2nz8B1 PHE 1321 HZ -1.74 -0.03 -0.06 -0.04 7.32 5.45 2nz8B1 GLN 1322 H 0.07 0.42 -0.39 -0.55 8.47 8.02 2nz8B1 GLN 1322 HA 0.12 0.02 0.52 -0.75 4.36 4.27 2nz8B1 GLN 1322 HB2 0.05 0.06 0.15 -0.04 2.15 2.37 2nz8B1 GLN 1322 HB3 0.02 0.12 0.10 -0.04 2.02 2.23 2nz8B1 GLN 1322 HG2 0.04 0.03 0.01 -0.04 2.40 2.43 2nz8B1 GLN 1322 HG3 0.05 -0.09 -0.06 -0.04 2.39 2.25 2nz8B1 GLN 1322 HE21 0.05 0.04 0.01 -0.04 6.97 7.03 2nz8B1 GLN 1322 HE22 0.05 -0.01 0.00 -0.04 7.69 7.70 2nz8B1 MET 1323 H 0.01 0.50 -0.21 -0.55 8.47 8.22 2nz8B1 MET 1323 HA 0.04 0.02 0.47 -0.75 4.52 4.28 2nz8B1 MET 1323 HB2 -0.03 -0.08 0.09 -0.04 2.15 2.09 2nz8B1 MET 1323 HB3 -0.06 0.05 0.13 -0.04 2.03 2.11 2nz8B1 MET 1323 HG2 -0.07 0.31 0.14 -0.04 2.63 2.96 2nz8B1 MET 1323 HG3 -0.21 -0.07 -0.19 -0.04 2.56 2.04 2nz8B1 MET 1323 HE3 -0.21 0.03 0.07 -0.04 2.10 1.95 2nz8B1 TYR 1324 H 0.35 0.55 -0.43 -0.55 8.29 8.21 2nz8B1 TYR 1324 HA 0.19 0.00 0.59 -0.75 4.56 4.59 2nz8B1 TYR 1324 HB2 0.18 0.28 0.14 -0.04 3.06 3.62 2nz8B1 TYR 1324 HB3 0.16 -0.02 -0.01 -0.04 2.98 3.08 2nz8B1 TYR 1324 HD2 0.19 0.06 0.04 -0.04 7.15 7.40 2nz8B1 TYR 1324 HE2 0.30 -0.01 0.05 -0.04 6.85 7.15 2nz8B1 VAL 1325 H 0.20 0.40 -0.08 -0.55 8.24 8.21 2nz8B1 VAL 1325 HA 0.14 0.02 0.58 -0.75 4.13 4.12 2nz8B1 VAL 1325 HB 0.10 0.13 0.17 -0.04 2.12 2.48 2nz8B1 VAL 1325 HG13 0.08 0.01 -0.09 -0.04 0.97 0.92 2nz8B1 VAL 1325 HG23 0.10 -0.01 0.03 -0.04 0.95 1.03 2nz8B1 THR 1326 H 0.10 0.27 -0.13 -0.55 8.28 7.97 2nz8B1 THR 1326 HA 0.06 0.07 0.40 -0.75 4.39 4.16 2nz8B1 THR 1326 HB 0.07 0.15 0.16 -0.04 4.32 4.67 2nz8B1 THR 1326 HG23 0.04 -0.01 -0.04 -0.04 1.22 1.16 2nz8B1 TYR 1327 H 0.19 0.41 -0.16 -0.55 8.29 8.18 2nz8B1 TYR 1327 HA 0.03 -0.06 0.39 -0.75 4.56 4.17 2nz8B1 TYR 1327 HB2 -0.05 0.01 0.11 -0.04 3.06 3.10 2nz8B1 TYR 1327 HB3 0.06 0.10 0.12 -0.04 2.98 3.21 2nz8B1 TYR 1327 HD2 0.06 -0.09 -0.14 -0.04 7.15 6.94 2nz8B1 TYR 1327 HE2 0.07 0.12 0.02 -0.04 6.85 7.03 2nz8B1 CYS 1328 H 0.23 0.58 -0.12 -0.55 8.50 8.64 2nz8B1 CYS 1328 HA 0.11 -0.01 0.45 -0.75 4.58 4.38 2nz8B1 CYS 1328 HB2 0.14 0.11 0.19 -0.04 2.97 3.37 2nz8B1 CYS 1328 HB3 0.10 -0.02 0.01 -0.04 2.97 3.02 2nz8B1 LYS 1329 H 0.06 0.53 -0.14 -0.55 8.42 8.32 2nz8B1 LYS 1329 HA 0.02 0.04 0.43 -0.75 4.32 4.06 2nz8B1 LYS 1329 HB2 0.03 0.09 0.14 -0.04 1.87 2.09 2nz8B1 LYS 1329 HB3 0.02 -0.04 -0.04 -0.04 1.79 1.69 2nz8B1 LYS 1329 HG2 0.04 0.02 -0.07 -0.04 1.46 1.41 2nz8B1 LYS 1329 HG3 0.05 0.01 -0.00 -0.04 1.46 1.48 2nz8B1 LYS 1329 HD2 0.06 -0.03 -0.06 -0.04 1.69 1.61 2nz8B1 LYS 1329 HD3 0.05 -0.03 -0.16 -0.04 1.68 1.50 2nz8B1 LYS 1329 HE2 0.03 -0.02 -0.04 -0.04 2.99 2.92 2nz8B1 LYS 1329 HE3 0.03 0.03 -0.03 -0.04 2.99 2.98 2nz8B1 ASN 1330 H -0.05 0.41 -0.22 -0.55 8.53 8.12 2nz8B1 ASN 1330 HA -0.05 0.05 0.60 -0.75 4.76 4.60 2nz8B1 ASN 1330 HB2 -0.05 -0.00 0.13 -0.04 2.88 2.91 2nz8B1 ASN 1330 HB3 -0.18 0.09 0.14 -0.04 2.79 2.80 2nz8B1 ASN 1330 HD21 -0.10 0.50 0.16 -0.04 7.03 7.55 2nz8B1 ASN 1330 HD22 -0.23 -0.03 -0.09 -0.04 7.74 7.35 2nz8B1 LYS 1331 H -0.12 0.33 -0.33 -0.55 8.42 7.75 2nz8B1 LYS 1331 HA -0.21 -0.01 0.27 -0.75 4.32 3.61 2nz8B1 LYS 1331 HB2 -0.13 0.08 0.17 -0.04 1.87 1.95 2nz8B1 LYS 1331 HB3 -0.04 0.12 0.16 -0.04 1.79 1.99 2nz8B1 LYS 1331 HG2 0.01 -0.02 -0.01 -0.04 1.46 1.40 2nz8B1 LYS 1331 HG3 -0.05 -0.11 -0.10 -0.04 1.46 1.16 2nz8B1 LYS 1331 HD2 -0.21 0.01 0.03 -0.04 1.69 1.48 2nz8B1 LYS 1331 HD3 0.10 0.03 0.00 -0.04 1.68 1.77 2nz8B1 LYS 1331 HE2 -0.04 -0.04 -0.07 -0.04 2.99 2.80 2nz8B1 LYS 1331 HE3 0.10 0.12 -0.43 -0.04 2.99 2.74 2nz8B1 PRO 1332 HA -0.03 -0.02 0.43 -0.51 4.44 4.31 2nz8B1 PRO 1332 HB2 -0.03 0.06 -0.00 -0.04 2.28 2.27 2nz8B1 PRO 1332 HB3 -0.03 -0.01 0.09 -0.04 2.02 2.03 2nz8B1 PRO 1332 HG2 -0.02 0.11 0.07 -0.04 2.03 2.15 2nz8B1 PRO 1332 HG3 -0.02 -0.02 0.07 -0.04 2.03 2.02 2nz8B1 PRO 1332 HD2 -0.04 0.32 -0.27 -0.04 3.68 3.65 2nz8B1 PRO 1332 HD3 -0.03 0.22 0.12 -0.04 3.65 3.92 2nz8B1 ASP 1333 H -0.05 0.37 -0.27 -0.55 8.40 7.90 2nz8B1 ASP 1333 HA -0.02 0.00 0.50 -0.75 4.63 4.36 2nz8B1 ASP 1333 HB2 -0.04 0.24 0.20 -0.04 2.71 3.06 2nz8B1 ASP 1333 HB3 -0.03 -0.07 0.01 -0.04 2.70 2.58 2nz8B1 SER 1334 H -0.09 0.52 0.00 -0.55 8.46 8.35 2nz8B1 SER 1334 HA -0.08 -0.05 0.34 -0.75 4.49 3.95 2nz8B1 SER 1334 HB2 -0.15 0.23 0.15 -0.04 3.95 4.14 2nz8B1 SER 1334 HB3 -0.14 0.10 0.21 -0.04 3.93 4.05 2nz8B1 THR 1335 H -0.07 0.64 -0.07 -0.55 8.28 8.24 2nz8B1 THR 1335 HA -0.06 -0.06 0.37 -0.75 4.39 3.89 2nz8B1 THR 1335 HB -0.03 0.14 0.15 -0.04 4.32 4.54 2nz8B1 THR 1335 HG23 -0.03 -0.02 -0.08 -0.04 1.22 1.05 2nz8B1 GLN 1336 H -0.02 0.58 -0.13 -0.55 8.47 8.35 2nz8B1 GLN 1336 HA -0.00 -0.03 0.37 -0.75 4.36 3.95 2nz8B1 GLN 1336 HB2 -0.00 0.08 0.15 -0.04 2.15 2.33 2nz8B1 GLN 1336 HB3 0.01 0.10 0.16 -0.04 2.02 2.25 2nz8B1 GLN 1336 HG2 0.02 0.01 -0.01 -0.04 2.40 2.38 2nz8B1 GLN 1336 HG3 0.05 -0.03 -0.15 -0.04 2.39 2.22 2nz8B1 GLN 1336 HE21 -0.01 -0.01 -0.00 -0.04 6.97 6.91 2nz8B1 GLN 1336 HE22 0.01 0.01 -0.01 -0.04 7.69 7.66 2nz8B1 LEU 1337 H 0.02 0.58 -0.17 -0.55 8.37 8.25 2nz8B1 LEU 1337 HA 0.21 0.02 0.41 -0.75 4.35 4.23 2nz8B1 LEU 1337 HB2 0.02 0.11 0.14 -0.04 1.64 1.86 2nz8B1 LEU 1337 HB3 0.02 0.08 0.13 -0.04 1.64 1.82 2nz8B1 LEU 1337 HG 0.06 -0.10 -0.09 -0.04 1.64 1.47 2nz8B1 LEU 1337 HD13 -0.06 0.05 0.07 -0.04 0.93 0.95 2nz8B1 LEU 1337 HD23 -0.00 -0.02 0.02 -0.04 0.89 0.85 2nz8B1 ILE 1338 H 0.01 0.61 -0.13 -0.55 8.25 8.20 2nz8B1 ILE 1338 HA 0.15 -0.05 0.49 -0.75 4.18 4.01 2nz8B1 ILE 1338 HB -0.03 0.16 0.20 -0.04 1.89 2.18 2nz8B1 ILE 1338 HG12 -0.02 -0.11 0.02 -0.04 1.49 1.34 2nz8B1 ILE 1338 HG13 -0.06 0.13 0.05 -0.04 1.21 1.29 2nz8B1 ILE 1338 HG23 0.06 -0.05 -0.10 -0.04 0.93 0.81 2nz8B1 ILE 1338 HD13 -0.28 -0.02 -0.09 -0.04 0.88 0.44 2nz8B1 LEU 1339 H 0.01 0.69 0.05 -0.55 8.37 8.57 2nz8B1 LEU 1339 HA 0.01 0.00 0.32 -0.75 4.35 3.94 2nz8B1 LEU 1339 HB2 -0.01 -0.02 0.08 -0.04 1.64 1.65 2nz8B1 LEU 1339 HB3 -0.00 -0.08 0.10 -0.04 1.64 1.61 2nz8B1 LEU 1339 HG -0.01 0.30 0.07 -0.04 1.64 1.95 2nz8B1 LEU 1339 HD13 -0.02 0.01 -0.04 -0.04 0.93 0.83 2nz8B1 LEU 1339 HD23 -0.01 -0.03 -0.03 -0.04 0.89 0.78 2nz8B1 GLU 1340 H -0.02 0.46 -0.25 -0.55 8.60 8.25 2nz8B1 GLU 1340 HA -0.15 0.11 0.72 -0.75 4.29 4.22 2nz8B1 GLU 1340 HB2 -0.19 0.12 0.08 -0.04 2.09 2.06 2nz8B1 GLU 1340 HB3 -0.51 -0.06 0.06 -0.04 1.99 1.43 2nz8B1 GLU 1340 HG2 -0.05 0.01 0.04 -0.04 2.34 2.29 2nz8B1 GLU 1340 HG3 -0.05 -0.03 0.01 -0.04 2.34 2.23 2nz8B1 HIS 1341 H 0.04 0.33 -0.04 -0.55 8.41 8.19 2nz8B1 HIS 1341 HA -0.01 0.19 1.03 -0.75 4.63 5.09 2nz8B1 HIS 1341 HB2 0.00 0.22 -0.01 -0.04 3.26 3.43 2nz8B1 HIS 1341 HB3 -0.02 -0.23 -0.04 -0.04 3.20 2.86 2nz8B1 HIS 1341 HD2 -0.01 -0.07 0.02 -0.04 6.97 6.86 2nz8B1 HIS 1341 HE1 -0.01 -0.01 -0.05 -0.04 7.75 7.64 2nz8B1 ALA 1342 H 0.09 0.47 0.22 -0.55 8.40 8.63 2nz8B1 ALA 1342 HA 0.00 0.08 0.57 -0.75 4.34 4.23 2nz8B1 ALA 1342 HB3 0.20 0.01 0.14 -0.04 1.41 1.71 2nz8B1 GLY 1343 H 0.04 0.20 -0.15 -0.55 8.43 7.97 2nz8B1 GLY 1343 HA2 0.02 0.12 0.28 -0.51 4.01 3.92 2nz8B1 GLY 1343 HA3 0.03 0.03 0.47 -0.51 4.01 4.03 2nz8B1 SER 1344 H 0.05 0.20 0.20 -0.55 8.46 8.36 2nz8B1 SER 1344 HA 0.07 0.14 0.78 -0.75 4.49 4.73 2nz8B1 SER 1344 HB2 0.04 -0.04 0.16 -0.04 3.95 4.07 2nz8B1 SER 1344 HB3 0.04 0.05 0.05 -0.04 3.93 4.03 2nz8B1 TYR 1345 H 0.10 0.59 -0.17 -0.55 8.29 8.26 2nz8B1 TYR 1345 HA -0.07 0.07 0.38 -0.75 4.56 4.19 2nz8B1 TYR 1345 HB2 -0.16 0.10 0.21 -0.04 3.06 3.17 2nz8B1 TYR 1345 HB3 -0.41 -0.02 0.17 -0.04 2.98 2.68 2nz8B1 TYR 1345 HD2 -0.89 -0.02 0.00 -0.04 7.15 6.20 2nz8B1 TYR 1345 HE2 -0.15 0.07 -0.12 -0.04 6.85 6.61 2nz8B1 PHE 1346 H 0.05 0.18 -0.15 -0.55 8.34 7.87 2nz8B1 PHE 1346 HA -0.05 0.14 0.58 -0.75 4.62 4.54 2nz8B1 PHE 1346 HB2 -0.04 0.03 0.07 -0.04 3.15 3.17 2nz8B1 PHE 1346 HB3 -0.21 -0.08 0.07 -0.04 3.06 2.79 2nz8B1 PHE 1346 HD2 0.13 0.00 0.03 -0.04 7.28 7.40 2nz8B1 PHE 1346 HE2 0.23 0.09 -0.02 -0.04 7.38 7.64 2nz8B1 PHE 1346 HZ 0.18 0.04 -0.05 -0.04 7.32 7.45 2nz8B1 ASP 1347 H 0.13 0.13 -0.19 -0.55 8.40 7.92 2nz8B1 ASP 1347 HA 0.13 0.02 0.53 -0.75 4.63 4.56 2nz8B1 ASP 1347 HB2 0.07 0.09 0.13 -0.04 2.71 2.96 2nz8B1 ASP 1347 HB3 0.06 0.04 0.05 -0.04 2.70 2.81 2nz8B1 GLU 1348 H 0.03 0.53 -0.22 -0.55 8.60 8.40 2nz8B1 GLU 1348 HA 0.04 0.05 0.52 -0.75 4.29 4.15 2nz8B1 GLU 1348 HB2 -0.04 0.17 0.15 -0.04 2.09 2.33 2nz8B1 GLU 1348 HB3 0.01 -0.02 0.00 -0.04 1.99 1.95 2nz8B1 GLU 1348 HG2 0.03 -0.04 0.02 -0.04 2.34 2.32 2nz8B1 GLU 1348 HG3 0.03 0.14 0.05 -0.04 2.34 2.52 2nz8B1 ILE 1349 H -0.04 0.39 -0.06 -0.55 8.25 8.00 2nz8B1 ILE 1349 HA 0.08 0.05 0.47 -0.75 4.18 4.02 2nz8B1 ILE 1349 HB 0.21 0.06 0.20 -0.04 1.89 2.31 2nz8B1 ILE 1349 HG12 -0.11 -0.02 0.04 -0.04 1.49 1.36 2nz8B1 ILE 1349 HG13 -0.35 0.11 0.13 -0.04 1.21 1.06 2nz8B1 ILE 1349 HG23 -0.29 -0.01 -0.19 -0.04 0.93 0.40 2nz8B1 ILE 1349 HD13 -0.43 -0.03 -0.03 -0.04 0.88 0.36 2nz8B1 GLN 1350 H 0.24 0.55 -0.16 -0.55 8.47 8.55 2nz8B1 GLN 1350 HA 0.11 -0.01 0.38 -0.75 4.36 4.08 2nz8B1 GLN 1350 HB2 0.36 -0.08 0.11 -0.04 2.15 2.50 2nz8B1 GLN 1350 HB3 0.16 0.15 0.16 -0.04 2.02 2.45 2nz8B1 GLN 1350 HG2 0.12 0.07 -0.27 -0.04 2.40 2.27 2nz8B1 GLN 1350 HG3 0.20 0.01 -0.14 -0.04 2.39 2.42 2nz8B1 GLN 1350 HE21 0.06 -0.11 -0.17 -0.04 6.97 6.70 2nz8B1 GLN 1350 HE22 0.08 0.37 -0.29 -0.04 7.69 7.81 2nz8B1 GLN 1351 H 0.10 0.47 -0.15 -0.55 8.47 8.35 2nz8B1 GLN 1351 HA 0.06 0.03 0.44 -0.75 4.36 4.14 2nz8B1 GLN 1351 HB2 0.06 0.10 0.21 -0.04 2.15 2.48 2nz8B1 GLN 1351 HB3 0.04 -0.02 -0.01 -0.04 2.02 1.99 2nz8B1 GLN 1351 HG2 0.04 -0.03 0.04 -0.04 2.40 2.42 2nz8B1 GLN 1351 HG3 0.06 0.09 0.09 -0.04 2.39 2.58 2nz8B1 GLN 1351 HE21 0.03 -0.03 -0.01 -0.04 6.97 6.92 2nz8B1 GLN 1351 HE22 0.03 0.01 -0.00 -0.04 7.69 7.69 2nz8B1 ARG 1352 H 0.09 0.56 -0.11 -0.55 8.46 8.45 2nz8B1 ARG 1352 HA 0.02 0.02 0.46 -0.75 4.34 4.09 2nz8B1 ARG 1352 HB2 0.12 0.11 0.21 -0.04 1.90 2.29 2nz8B1 ARG 1352 HB3 0.06 -0.02 -0.01 -0.04 1.80 1.79 2nz8B1 ARG 1352 HG2 0.01 -0.03 0.04 -0.04 1.67 1.66 2nz8B1 ARG 1352 HG3 0.03 -0.03 0.03 -0.04 1.67 1.67 2nz8B1 ARG 1352 HD2 0.03 -0.04 -0.01 -0.04 3.22 3.16 2nz8B1 ARG 1352 HD3 0.04 0.01 -0.05 -0.04 3.22 3.18 2nz8B1 HIS 1353 H 0.22 0.56 -0.14 -0.55 8.41 8.51 2nz8B1 HIS 1353 HA -0.04 0.10 0.59 -0.75 4.63 4.53 2nz8B1 HIS 1353 HB2 -0.08 0.06 0.08 -0.04 3.26 3.28 2nz8B1 HIS 1353 HB3 -0.08 -0.06 0.06 -0.04 3.20 3.08 2nz8B1 HIS 1353 HD2 -0.03 0.12 0.06 -0.04 6.97 7.08 2nz8B1 HIS 1353 HE1 -0.08 0.04 0.02 -0.04 7.75 7.69 2nz8B1 GLY 1354 H 0.07 0.28 -0.54 -0.55 8.43 7.69 2nz8B1 GLY 1354 HA2 0.04 0.04 0.27 -0.51 4.01 3.85 2nz8B1 GLY 1354 HA3 0.03 -0.01 0.40 -0.51 4.01 3.91 2nz8B1 LEU 1355 H 0.09 0.50 -0.05 -0.55 8.37 8.36 2nz8B1 LEU 1355 HA 0.08 0.07 0.48 -0.75 4.35 4.22 2nz8B1 LEU 1355 HB2 0.12 -0.02 0.06 -0.04 1.64 1.76 2nz8B1 LEU 1355 HB3 0.18 -0.06 -0.04 -0.04 1.64 1.68 2nz8B1 LEU 1355 HG 0.05 0.03 -0.15 -0.04 1.64 1.54 2nz8B1 LEU 1355 HD13 -0.31 -0.02 -0.06 -0.04 0.93 0.50 2nz8B1 LEU 1355 HD23 0.06 0.01 -0.06 -0.04 0.89 0.85 2nz8B1 ALA 1356 H 0.06 0.13 0.16 -0.55 8.40 8.21 2nz8B1 ALA 1356 HA 0.03 0.12 0.47 -0.75 4.34 4.21 2nz8B1 ALA 1356 HB3 0.01 0.00 0.08 -0.04 1.41 1.46 2nz8B1 ASN 1357 H 0.02 0.06 -0.09 -0.55 8.53 7.98 2nz8B1 ASN 1357 HA -0.09 0.11 0.69 -0.75 4.76 4.71 2nz8B1 ASN 1357 HB2 -0.72 -0.01 0.06 -0.04 2.88 2.16 2nz8B1 ASN 1357 HB3 -0.74 0.03 -0.09 -0.04 2.79 1.95 2nz8B1 ASN 1357 HD21 -0.12 0.05 -0.06 -0.04 7.03 6.85 2nz8B1 ASN 1357 HD22 -0.13 -0.06 -0.01 -0.04 7.74 7.50 2nz8B1 SER 1358 H -0.02 0.12 0.15 -0.55 8.46 8.16 2nz8B1 SER 1358 HA 0.13 0.19 0.49 -0.75 4.49 4.54 2nz8B1 SER 1358 HB2 -0.02 -0.03 0.13 -0.04 3.95 3.99 2nz8B1 SER 1358 HB3 0.01 0.17 0.11 -0.04 3.93 4.19 2nz8B1 ILE 1359 H -0.34 0.18 0.10 -0.55 8.25 7.64 2nz8B1 ILE 1359 HA -0.45 0.13 0.51 -0.75 4.18 3.61 2nz8B1 ILE 1359 HB -1.41 0.03 0.12 -0.04 1.89 0.59 2nz8B1 ILE 1359 HG12 -0.57 0.03 -0.11 -0.04 1.49 0.80 2nz8B1 ILE 1359 HG13 -0.58 -0.01 0.07 -0.04 1.21 0.65 2nz8B1 ILE 1359 HG23 -0.48 0.01 0.00 -0.04 0.93 0.42 2nz8B1 ILE 1359 HD13 -1.52 0.02 -0.04 -0.04 0.88 -0.70 2nz8B1 SER 1360 H -0.15 0.08 -0.14 -0.55 8.46 7.71 2nz8B1 SER 1360 HA -0.10 0.13 0.32 -0.75 4.49 4.09 2nz8B1 SER 1360 HB2 -0.05 0.08 0.01 -0.04 3.95 3.96 2nz8B1 SER 1360 HB3 -0.08 0.04 0.06 -0.04 3.93 3.91 2nz8B1 SER 1361 H -0.06 0.01 -0.40 -0.55 8.46 7.47 2nz8B1 SER 1361 HA -0.04 0.09 0.41 -0.75 4.49 4.19 2nz8B1 SER 1361 HB2 -0.07 -0.05 0.09 -0.04 3.95 3.88 2nz8B1 SER 1361 HB3 -0.17 0.10 0.07 -0.04 3.93 3.89 2nz8B1 TYR 1362 H 0.03 0.45 -0.16 -0.55 8.29 8.06 2nz8B1 TYR 1362 HA 0.07 0.04 0.53 -0.75 4.56 4.45 2nz8B1 TYR 1362 HB2 0.07 0.08 0.15 -0.04 3.06 3.32 2nz8B1 TYR 1362 HB3 0.10 -0.02 -0.01 -0.04 2.98 3.02 2nz8B1 TYR 1362 HD2 0.21 0.00 -0.08 -0.04 7.15 7.25 2nz8B1 TYR 1362 HE2 0.13 0.04 0.00 -0.04 6.85 6.98 2nz8B1 LEU 1363 H 0.07 0.48 -0.16 -0.55 8.37 8.22 2nz8B1 LEU 1363 HA 0.20 0.03 0.28 -0.75 4.35 4.11 2nz8B1 LEU 1363 HB2 -0.03 -0.01 0.07 -0.04 1.64 1.64 2nz8B1 LEU 1363 HB3 0.04 0.03 0.05 -0.04 1.64 1.72 2nz8B1 LEU 1363 HG -0.14 0.16 0.03 -0.04 1.64 1.65 2nz8B1 LEU 1363 HD13 -0.36 -0.00 -0.07 -0.04 0.93 0.46 2nz8B1 LEU 1363 HD23 -0.06 -0.01 -0.02 -0.04 0.89 0.75 2nz8B1 ILE 1364 H 0.07 0.39 -0.28 -0.55 8.25 7.88 2nz8B1 ILE 1364 HA 0.15 0.10 0.70 -0.75 4.18 4.37 2nz8B1 ILE 1364 HB 0.04 0.05 0.09 -0.04 1.89 2.03 2nz8B1 ILE 1364 HG12 0.03 0.00 -0.00 -0.04 1.49 1.48 2nz8B1 ILE 1364 HG13 0.06 -0.14 0.08 -0.04 1.21 1.17 2nz8B1 ILE 1364 HG23 0.03 0.03 -0.04 -0.04 0.93 0.91 2nz8B1 ILE 1364 HD13 0.06 0.01 0.03 -0.04 0.88 0.94 2nz8B1 LYS 1365 H 0.13 0.45 -0.35 -0.55 8.42 8.10 2nz8B1 LYS 1365 HA 0.10 -0.05 0.28 -0.75 4.32 3.90 2nz8B1 LYS 1365 HB2 0.21 0.27 0.18 -0.04 1.87 2.49 2nz8B1 LYS 1365 HB3 0.31 -0.09 0.03 -0.04 1.79 1.99 2nz8B1 LYS 1365 HG2 0.09 -0.09 0.05 -0.04 1.46 1.46 2nz8B1 LYS 1365 HG3 0.08 0.31 0.16 -0.04 1.46 1.96 2nz8B1 LYS 1365 HD2 0.24 0.02 0.06 -0.04 1.69 1.96 2nz8B1 LYS 1365 HD3 0.18 -0.05 0.02 -0.04 1.68 1.79 2nz8B1 LYS 1365 HE2 -0.14 0.04 -0.19 -0.04 2.99 2.65 2nz8B1 LYS 1365 HE3 -0.08 -0.04 -0.04 -0.04 2.99 2.78 2nz8B1 PRO 1366 HA 0.33 0.02 0.61 -0.51 4.44 4.89 2nz8B1 PRO 1366 HB2 -0.48 0.08 -0.03 -0.04 2.28 1.80 2nz8B1 PRO 1366 HB3 -0.14 -0.03 0.07 -0.04 2.02 1.88 2nz8B1 PRO 1366 HG2 -0.76 0.07 0.04 -0.04 2.03 1.34 2nz8B1 PRO 1366 HG3 -0.06 -0.02 0.04 -0.04 2.03 1.95 2nz8B1 PRO 1366 HD2 0.09 0.35 -0.20 -0.04 3.68 3.89 2nz8B1 PRO 1366 HD3 0.12 0.21 0.07 -0.04 3.65 4.02 2nz8B1 VAL 1367 H 0.17 0.36 -0.27 -0.55 8.24 7.95 2nz8B1 VAL 1367 HA 0.19 0.04 0.43 -0.75 4.13 4.03 2nz8B1 VAL 1367 HB 0.12 0.13 0.15 -0.04 2.12 2.47 2nz8B1 VAL 1367 HG13 0.09 -0.01 -0.07 -0.04 0.97 0.94 2nz8B1 VAL 1367 HG23 0.27 0.01 0.04 -0.04 0.95 1.22 2nz8B1 GLN 1368 H 0.06 0.48 -0.03 -0.55 8.47 8.43 2nz8B1 GLN 1368 HA -0.01 0.05 0.49 -0.75 4.36 4.13 2nz8B1 GLN 1368 HB2 -0.00 0.07 0.11 -0.04 2.15 2.29 2nz8B1 GLN 1368 HB3 -0.03 -0.04 -0.02 -0.04 2.02 1.89 2nz8B1 GLN 1368 HG2 0.00 -0.02 -0.01 -0.04 2.40 2.33 2nz8B1 GLN 1368 HG3 0.03 0.11 -0.02 -0.04 2.39 2.47 2nz8B1 GLN 1368 HE21 0.00 -0.02 -0.04 -0.04 6.97 6.87 2nz8B1 GLN 1368 HE22 0.01 -0.00 -0.04 -0.04 7.69 7.61 2nz8B1 ARG 1369 H -0.08 0.75 -0.06 -0.55 8.46 8.52 2nz8B1 ARG 1369 HA -0.36 -0.01 0.39 -0.75 4.34 3.60 2nz8B1 ARG 1369 HB2 -0.71 0.09 0.13 -0.04 1.90 1.36 2nz8B1 ARG 1369 HB3 -0.40 0.06 0.17 -0.04 1.80 1.59 2nz8B1 ARG 1369 HG2 -1.48 -0.01 -0.02 -0.04 1.67 0.12 2nz8B1 ARG 1369 HG3 -0.65 -0.05 -0.13 -0.04 1.67 0.80 2nz8B1 ARG 1369 HD2 -0.60 -0.06 0.05 -0.04 3.22 2.57 2nz8B1 ARG 1369 HD3 -0.63 0.04 -0.00 -0.04 3.22 2.59 2nz8B1 ILE 1370 H -0.10 0.62 -0.11 -0.55 8.25 8.12 2nz8B1 ILE 1370 HA -0.08 -0.03 0.34 -0.75 4.18 3.66 2nz8B1 ILE 1370 HB -0.51 0.05 0.16 -0.04 1.89 1.54 2nz8B1 ILE 1370 HG12 -0.13 -0.01 -0.01 -0.04 1.49 1.29 2nz8B1 ILE 1370 HG13 -0.13 0.01 0.13 -0.04 1.21 1.18 2nz8B1 ILE 1370 HG23 0.05 0.04 -0.03 -0.04 0.93 0.95 2nz8B1 ILE 1370 HD13 -0.49 -0.02 0.08 -0.04 0.88 0.40 2nz8B1 THR 1371 H -0.10 0.30 -0.86 -0.55 8.28 7.07 2nz8B1 THR 1371 HA -0.05 0.10 0.76 -0.75 4.39 4.45 2nz8B1 THR 1371 HB -0.03 0.29 0.15 -0.04 4.32 4.69 2nz8B1 THR 1371 HG23 -0.03 -0.02 -0.02 -0.04 1.22 1.11 2nz8B1 LYS 1372 H -0.20 0.50 0.02 -0.55 8.42 8.19 2nz8B1 LYS 1372 HA -0.10 0.11 0.73 -0.75 4.32 4.30 2nz8B1 LYS 1372 HB2 -0.34 0.08 0.13 -0.04 1.87 1.70 2nz8B1 LYS 1372 HB3 -0.16 -0.09 0.05 -0.04 1.79 1.54 2nz8B1 LYS 1372 HG2 -0.14 0.49 0.03 -0.04 1.46 1.80 2nz8B1 LYS 1372 HG3 -0.16 -0.07 -0.10 -0.04 1.46 1.08 2nz8B1 LYS 1372 HD2 -0.08 -0.05 -0.01 -0.04 1.69 1.51 2nz8B1 LYS 1372 HD3 -0.07 0.00 -0.05 -0.04 1.68 1.53 2nz8B1 LYS 1372 HE2 -0.06 0.03 -0.06 -0.04 2.99 2.85 2nz8B1 LYS 1372 HE3 -0.06 -0.03 -0.06 -0.04 2.99 2.80 2nz8B1 TYR 1373 H -0.20 0.37 0.01 -0.55 8.29 7.92 2nz8B1 TYR 1373 HA -0.06 0.03 0.38 -0.75 4.56 4.15 2nz8B1 TYR 1373 HB2 -0.22 0.12 0.09 -0.04 3.06 3.01 2nz8B1 TYR 1373 HB3 -0.36 -0.03 -0.04 -0.04 2.98 2.52 2nz8B1 TYR 1373 HD2 0.04 0.01 0.01 -0.04 7.15 7.17 2nz8B1 TYR 1373 HE2 0.26 -0.01 -0.07 -0.04 6.85 6.99 2nz8B1 GLN 1374 H -0.05 0.28 -0.30 -0.55 8.47 7.85 2nz8B1 GLN 1374 HA -0.13 -0.00 0.33 -0.75 4.36 3.80 2nz8B1 GLN 1374 HB2 -0.07 -0.04 -0.03 -0.04 2.15 1.96 2nz8B1 GLN 1374 HB3 -0.10 0.12 -0.17 -0.04 2.02 1.82 2nz8B1 GLN 1374 HG2 -0.06 0.11 0.05 -0.04 2.40 2.47 2nz8B1 GLN 1374 HG3 -0.06 -0.02 -0.09 -0.04 2.39 2.18 2nz8B1 GLN 1374 HE21 -0.03 -0.08 0.00 -0.04 6.97 6.82 2nz8B1 GLN 1374 HE22 -0.04 0.29 0.12 -0.04 7.69 8.01 2nz8B1 LEU 1375 H -0.06 0.28 -0.38 -0.55 8.37 7.67 2nz8B1 LEU 1375 HA -0.04 0.04 0.48 -0.75 4.35 4.08 2nz8B1 LEU 1375 HB2 -0.05 0.16 0.16 -0.04 1.64 1.87 2nz8B1 LEU 1375 HB3 -0.03 -0.04 0.03 -0.04 1.64 1.55 2nz8B1 LEU 1375 HG -0.05 0.13 0.11 -0.04 1.64 1.80 2nz8B1 LEU 1375 HD13 -0.04 -0.01 0.03 -0.04 0.93 0.88 2nz8B1 LEU 1375 HD23 -0.03 -0.01 0.00 -0.04 0.89 0.81 2nz8B1 LEU 1376 H -0.03 0.49 -0.04 -0.55 8.37 8.24 2nz8B1 LEU 1376 HA 0.00 0.03 0.53 -0.75 4.35 4.17 2nz8B1 LEU 1376 HB2 0.05 0.11 0.13 -0.04 1.64 1.89 2nz8B1 LEU 1376 HB3 0.06 -0.03 0.00 -0.04 1.64 1.63 2nz8B1 LEU 1376 HG -0.02 0.05 0.01 -0.04 1.64 1.64 2nz8B1 LEU 1376 HD13 0.02 -0.01 -0.07 -0.04 0.93 0.83 2nz8B1 LEU 1376 HD23 0.03 0.00 -0.01 -0.04 0.89 0.86 2nz8B1 LEU 1377 H -0.07 0.57 -0.14 -0.55 8.37 8.18 2nz8B1 LEU 1377 HA -0.04 0.01 0.45 -0.75 4.35 4.02 2nz8B1 LEU 1377 HB2 -0.16 0.10 0.07 -0.04 1.64 1.61 2nz8B1 LEU 1377 HB3 -0.13 -0.06 -0.04 -0.04 1.64 1.37 2nz8B1 LEU 1377 HG -0.27 0.06 -0.04 -0.04 1.64 1.35 2nz8B1 LEU 1377 HD13 -0.85 -0.02 -0.30 -0.04 0.93 -0.28 2nz8B1 LEU 1377 HD23 -0.10 -0.01 -0.08 -0.04 0.89 0.66 2nz8B1 LYS 1378 H -0.05 0.59 -0.18 -0.55 8.42 8.23 2nz8B1 LYS 1378 HA -0.03 -0.02 0.51 -0.75 4.32 4.03 2nz8B1 LYS 1378 HB2 -0.03 0.14 0.22 -0.04 1.87 2.16 2nz8B1 LYS 1378 HB3 -0.02 -0.04 -0.02 -0.04 1.79 1.67 2nz8B1 LYS 1378 HG2 -0.03 -0.07 0.03 -0.04 1.46 1.35 2nz8B1 LYS 1378 HG3 -0.05 0.08 0.06 -0.04 1.46 1.51 2nz8B1 LYS 1378 HD2 -0.03 0.01 -0.06 -0.04 1.69 1.57 2nz8B1 LYS 1378 HD3 -0.02 -0.03 -0.01 -0.04 1.68 1.57 2nz8B1 LYS 1378 HE2 -0.03 -0.04 -0.03 -0.04 2.99 2.86 2nz8B1 LYS 1378 HE3 -0.04 0.00 -0.05 -0.04 2.99 2.86 2nz8B1 GLU 1379 H -0.01 0.47 -0.21 -0.55 8.60 8.30 2nz8B1 GLU 1379 HA -0.00 0.03 0.41 -0.75 4.29 3.98 2nz8B1 GLU 1379 HB2 0.01 0.12 0.15 -0.04 2.09 2.34 2nz8B1 GLU 1379 HB3 0.01 -0.06 -0.00 -0.04 1.99 1.90 2nz8B1 GLU 1379 HG2 -0.01 0.27 0.09 -0.04 2.34 2.65 2nz8B1 GLU 1379 HG3 -0.00 -0.04 0.01 -0.04 2.34 2.27 2nz8B1 LEU 1380 H 0.01 0.48 -0.16 -0.55 8.37 8.15 2nz8B1 LEU 1380 HA 0.03 0.01 0.45 -0.75 4.35 4.09 2nz8B1 LEU 1380 HB2 0.01 0.10 0.15 -0.04 1.64 1.86 2nz8B1 LEU 1380 HB3 0.02 -0.04 -0.07 -0.04 1.64 1.52 2nz8B1 LEU 1380 HG 0.04 0.06 -0.00 -0.04 1.64 1.70 2nz8B1 LEU 1380 HD13 0.06 0.01 -0.05 -0.04 0.93 0.91 2nz8B1 LEU 1380 HD23 0.05 -0.01 -0.02 -0.04 0.89 0.86 2nz8B1 LEU 1381 H -0.01 0.53 -0.21 -0.55 8.37 8.14 2nz8B1 LEU 1381 HA 0.00 -0.08 0.33 -0.75 4.35 3.85 2nz8B1 LEU 1381 HB2 -0.02 0.20 0.19 -0.04 1.64 1.98 2nz8B1 LEU 1381 HB3 -0.01 0.10 0.02 -0.04 1.64 1.70 2nz8B1 LEU 1381 HG -0.02 -0.14 -0.08 -0.04 1.64 1.36 2nz8B1 LEU 1381 HD13 -0.02 -0.00 -0.04 -0.04 0.93 0.83 2nz8B1 LEU 1381 HD23 -0.00 -0.01 -0.00 -0.04 0.89 0.83 2nz8B1 THR 1382 H 0.00 0.33 -0.41 -0.55 8.28 7.65 2nz8B1 THR 1382 HA 0.00 0.05 0.40 -0.75 4.39 4.08 2nz8B1 THR 1382 HB 0.00 -0.06 0.06 -0.04 4.32 4.28 2nz8B1 THR 1382 HG23 -0.00 0.04 0.02 -0.04 1.22 1.24 2nz8B1 CYS 1383 H 0.01 0.31 -0.16 -0.55 8.50 8.12 2nz8B1 CYS 1383 HA 0.01 0.17 0.89 -0.75 4.58 4.90 2nz8B1 CYS 1383 HB2 0.03 -0.07 0.20 -0.04 2.97 3.08 2nz8B1 CYS 1383 HB3 0.02 -0.04 0.05 -0.04 2.97 2.96 2nz8B1 CYS 1384 H 0.01 0.31 -0.39 -0.55 8.50 7.89 2nz8B1 CYS 1384 HA 0.01 0.09 0.81 -0.75 4.58 4.74 2nz8B1 CYS 1384 HB2 0.01 0.03 0.08 -0.04 2.97 3.05 2nz8B1 CYS 1384 HB3 0.01 0.02 0.20 -0.04 2.97 3.16 2nz8B1 GLU 1385 H 0.01 0.11 0.17 -0.55 8.60 8.34 2nz8B1 GLU 1385 HA 0.01 0.25 0.96 -0.75 4.29 4.75 2nz8B1 GLU 1385 HB2 0.01 0.01 -0.02 -0.04 2.09 2.05 2nz8B1 GLU 1385 HB3 0.01 0.01 -0.03 -0.04 1.99 1.94 2nz8B1 GLU 1385 HG2 0.01 0.01 0.02 -0.04 2.34 2.33 2nz8B1 GLU 1385 HG3 0.00 -0.06 0.11 -0.04 2.34 2.35 2nz8B1 GLU 1386 H 0.00 0.15 0.16 -0.55 8.60 8.37 2nz8B1 GLU 1386 HA 0.00 -0.04 0.42 -0.75 4.29 3.92 2nz8B1 GLU 1386 HB2 0.00 0.04 0.13 -0.04 2.09 2.22 2nz8B1 GLU 1386 HB3 0.00 0.02 0.18 -0.04 1.99 2.15 2nz8B1 GLU 1386 HG2 0.00 0.02 -0.01 -0.04 2.34 2.31 2nz8B1 GLU 1386 HG3 0.00 0.03 -0.25 -0.04 2.34 2.08 2nz8B1 GLY 1387 H 0.00 0.05 0.22 -0.55 8.43 8.16 2nz8B1 GLY 1387 HA2 0.01 -0.03 0.32 -0.51 4.01 3.80 2nz8B1 GLY 1387 HA3 0.00 0.22 0.80 -0.51 4.01 4.52 2nz8B1 LYS 1388 H 0.01 0.28 0.09 -0.55 8.42 8.25 2nz8B1 LYS 1388 HA 0.01 0.05 0.61 -0.75 4.32 4.24 2nz8B1 LYS 1388 HB2 0.01 -0.02 0.01 -0.04 1.87 1.84 2nz8B1 LYS 1388 HB3 0.01 0.11 0.03 -0.04 1.79 1.89 2nz8B1 LYS 1388 HG2 0.01 0.00 -0.34 -0.04 1.46 1.09 2nz8B1 LYS 1388 HG3 0.01 -0.06 0.05 -0.04 1.46 1.43 2nz8B1 LYS 1388 HD2 0.01 -0.02 -0.04 -0.04 1.69 1.60 2nz8B1 LYS 1388 HD3 0.01 0.05 -0.14 -0.04 1.68 1.56 2nz8B1 LYS 1388 HE2 0.01 0.09 -0.21 -0.04 2.99 2.83 2nz8B1 LYS 1388 HE3 0.01 -0.08 -0.09 -0.04 2.99 2.80 2nz8B1 GLY 1389 H 0.02 0.18 -0.02 -0.55 8.43 8.06 2nz8B1 GLY 1389 HA2 0.02 0.29 0.50 -0.51 4.01 4.30 2nz8B1 GLY 1389 HA3 0.02 -0.05 0.64 -0.51 4.01 4.11 2nz8B1 GLU 1390 H 0.02 0.14 0.13 -0.55 8.60 8.35 2nz8B1 GLU 1390 HA 0.03 0.02 0.34 -0.75 4.29 3.93 2nz8B1 GLU 1390 HB2 0.06 0.43 0.59 -0.04 2.09 3.12 2nz8B1 GLU 1390 HB3 0.09 -0.08 0.13 -0.04 1.99 2.08 2nz8B1 GLU 1390 HG2 0.07 -0.01 0.07 -0.04 2.34 2.43 2nz8B1 GLU 1390 HG3 0.05 -0.04 -0.10 -0.04 2.34 2.20 2nz8B1 ILE 1391 H 0.02 0.12 -0.09 -0.55 8.25 7.75 2nz8B1 ILE 1391 HA 0.01 0.05 0.46 -0.75 4.18 3.94 2nz8B1 ILE 1391 HB 0.00 -0.03 0.13 -0.04 1.89 1.95 2nz8B1 ILE 1391 HG12 0.02 0.09 0.14 -0.04 1.49 1.70 2nz8B1 ILE 1391 HG13 0.02 0.10 0.03 -0.04 1.21 1.32 2nz8B1 ILE 1391 HG23 -0.01 0.01 -0.12 -0.04 0.93 0.77 2nz8B1 ILE 1391 HD13 0.03 0.02 0.00 -0.04 0.88 0.89 2nz8B1 LYS 1392 H -0.00 0.06 -0.07 -0.55 8.42 7.86 2nz8B1 LYS 1392 HA -0.03 0.14 0.35 -0.75 4.32 4.04 2nz8B1 LYS 1392 HB2 -0.01 0.04 0.08 -0.04 1.87 1.94 2nz8B1 LYS 1392 HB3 -0.01 -0.04 0.02 -0.04 1.79 1.72 2nz8B1 LYS 1392 HG2 -0.02 0.00 -0.09 -0.04 1.46 1.31 2nz8B1 LYS 1392 HG3 -0.02 0.06 0.01 -0.04 1.46 1.46 2nz8B1 LYS 1392 HD2 -0.01 0.02 -0.02 -0.04 1.69 1.64 2nz8B1 LYS 1392 HD3 -0.01 -0.02 -0.05 -0.04 1.68 1.55 2nz8B1 LYS 1392 HE2 -0.02 -0.00 -0.06 -0.04 2.99 2.87 2nz8B1 LYS 1392 HE3 -0.01 0.03 -0.03 -0.04 2.99 2.93 2nz8B1 ASP 1393 H 0.00 -0.00 -0.30 -0.55 8.40 7.55 2nz8B1 ASP 1393 HA -0.01 0.09 0.42 -0.75 4.63 4.38 2nz8B1 ASP 1393 HB2 0.02 0.05 0.05 -0.04 2.71 2.80 2nz8B1 ASP 1393 HB3 0.01 0.06 -0.05 -0.04 2.70 2.68 2nz8B1 GLY 1394 H 0.01 0.39 -0.21 -0.55 8.43 8.07 2nz8B1 GLY 1394 HA2 0.04 0.03 0.45 -0.51 4.01 4.02 2nz8B1 GLY 1394 HA3 0.01 0.03 0.38 -0.51 4.01 3.92 2nz8B1 LEU 1395 H -0.08 0.60 -0.10 -0.55 8.37 8.25 2nz8B1 LEU 1395 HA -0.18 -0.01 0.36 -0.75 4.35 3.77 2nz8B1 LEU 1395 HB2 -0.09 0.00 -0.01 -0.04 1.64 1.50 2nz8B1 LEU 1395 HB3 -0.06 0.09 0.14 -0.04 1.64 1.76 2nz8B1 LEU 1395 HG -0.06 0.01 -0.24 -0.04 1.64 1.30 2nz8B1 LEU 1395 HD13 -0.09 -0.02 -0.00 -0.04 0.93 0.78 2nz8B1 LEU 1395 HD23 -0.04 -0.00 -0.09 -0.04 0.89 0.72 2nz8B1 GLU 1396 H -0.05 0.58 -0.14 -0.55 8.60 8.45 2nz8B1 GLU 1396 HA -0.05 0.01 0.38 -0.75 4.29 3.88 2nz8B1 GLU 1396 HB2 -0.03 0.13 0.16 -0.04 2.09 2.31 2nz8B1 GLU 1396 HB3 -0.03 -0.01 0.01 -0.04 1.99 1.92 2nz8B1 GLU 1396 HG2 -0.03 -0.04 0.02 -0.04 2.34 2.25 2nz8B1 GLU 1396 HG3 -0.03 0.29 0.04 -0.04 2.34 2.60 2nz8B1 VAL 1397 H -0.05 0.45 -0.18 -0.55 8.24 7.92 2nz8B1 VAL 1397 HA -0.04 0.02 0.47 -0.75 4.13 3.83 2nz8B1 VAL 1397 HB -0.03 0.14 0.10 -0.04 2.12 2.28 2nz8B1 VAL 1397 HG13 -0.02 0.03 -0.12 -0.04 0.97 0.82 2nz8B1 VAL 1397 HG23 0.00 0.02 0.04 -0.04 0.95 0.97 2nz8B1 MET 1398 H -0.16 0.45 -0.23 -0.55 8.47 7.99 2nz8B1 MET 1398 HA -0.22 0.05 0.47 -0.75 4.52 4.07 2nz8B1 MET 1398 HB2 -0.28 0.05 0.02 -0.04 2.15 1.90 2nz8B1 MET 1398 HB3 -0.24 -0.11 0.06 -0.04 2.03 1.70 2nz8B1 MET 1398 HG2 -0.43 0.24 0.01 -0.04 2.63 2.41 2nz8B1 MET 1398 HG3 -0.84 -0.08 -0.07 -0.04 2.56 1.53 2nz8B1 MET 1398 HE3 -0.88 -0.01 0.03 -0.04 2.10 1.20 2nz8B1 LEU 1399 H -0.09 0.40 -0.25 -0.55 8.37 7.88 2nz8B1 LEU 1399 HA -0.06 0.10 0.86 -0.75 4.35 4.50 2nz8B1 LEU 1399 HB2 -0.05 0.11 0.13 -0.04 1.64 1.79 2nz8B1 LEU 1399 HB3 -0.04 -0.05 0.04 -0.04 1.64 1.54 2nz8B1 LEU 1399 HG -0.07 0.07 -0.03 -0.04 1.64 1.56 2nz8B1 LEU 1399 HD13 -0.04 -0.02 -0.07 -0.04 0.93 0.75 2nz8B1 LEU 1399 HD23 -0.04 -0.01 0.01 -0.04 0.89 0.81 2nz8B1 SER 1400 H -0.06 0.43 -0.05 -0.55 8.46 8.23 2nz8B1 SER 1400 HA -0.04 0.02 0.49 -0.75 4.49 4.20 2nz8B1 SER 1400 HB2 -0.03 0.07 0.16 -0.04 3.95 4.11 2nz8B1 SER 1400 HB3 -0.03 0.12 0.21 -0.04 3.93 4.18 2nz8B1 VAL 1401 H -0.06 0.41 -0.04 -0.55 8.24 8.00 2nz8B1 VAL 1401 HA 0.02 0.02 0.40 -0.75 4.13 3.81 2nz8B1 VAL 1401 HB -0.09 0.10 0.13 -0.04 2.12 2.22 2nz8B1 VAL 1401 HG13 0.09 -0.03 -0.13 -0.04 0.97 0.87 2nz8B1 VAL 1401 HG23 -0.01 0.06 0.04 -0.04 0.95 0.99 2nz8B1 PRO 1402 HA 0.04 0.02 0.56 -0.51 4.44 4.55 2nz8B1 PRO 1402 HB2 0.01 -0.01 -0.01 -0.04 2.28 2.23 2nz8B1 PRO 1402 HB3 0.00 0.04 0.02 -0.04 2.02 2.04 2nz8B1 PRO 1402 HG2 -0.03 0.08 0.08 -0.04 2.03 2.12 2nz8B1 PRO 1402 HG3 -0.04 0.13 0.19 -0.04 2.03 2.26 2nz8B1 PRO 1402 HD2 -0.06 -0.03 -0.37 -0.04 3.68 3.18 2nz8B1 PRO 1402 HD3 -0.07 0.17 0.15 -0.04 3.65 3.86 2nz8B1 LYS 1403 H -0.01 0.42 -0.36 -0.55 8.42 7.91 2nz8B1 LYS 1403 HA 0.01 -0.01 0.50 -0.75 4.32 4.06 2nz8B1 LYS 1403 HB2 -0.03 0.07 0.14 -0.04 1.87 2.01 2nz8B1 LYS 1403 HB3 -0.03 0.14 0.19 -0.04 1.79 2.05 2nz8B1 LYS 1403 HG2 -0.05 -0.03 -0.14 -0.04 1.46 1.20 2nz8B1 LYS 1403 HG3 -0.05 -0.06 0.06 -0.04 1.46 1.36 2nz8B1 LYS 1403 HD2 -0.08 -0.05 0.00 -0.04 1.69 1.52 2nz8B1 LYS 1403 HD3 -0.09 0.03 0.01 -0.04 1.68 1.60 2nz8B1 LYS 1403 HE2 -0.15 -0.09 0.04 -0.04 2.99 2.74 2nz8B1 LYS 1403 HE3 -0.22 -0.03 0.04 -0.04 2.99 2.74 2nz8B1 ARG 1404 H 0.01 0.62 -0.06 -0.55 8.46 8.48 2nz8B1 ARG 1404 HA 0.01 0.04 0.42 -0.75 4.34 4.05 2nz8B1 ARG 1404 HB2 0.04 0.07 0.18 -0.04 1.90 2.15 2nz8B1 ARG 1404 HB3 0.04 -0.07 0.05 -0.04 1.80 1.78 2nz8B1 ARG 1404 HG2 -0.02 0.02 0.04 -0.04 1.67 1.67 2nz8B1 ARG 1404 HG3 -0.01 0.20 0.08 -0.04 1.67 1.91 2nz8B1 ARG 1404 HD2 0.01 -0.02 0.01 -0.04 3.22 3.18 2nz8B1 ARG 1404 HD3 -0.00 -0.02 -0.02 -0.04 3.22 3.14 2nz8B1 ALA 1405 H 0.06 0.52 -0.09 -0.55 8.40 8.34 2nz8B1 ALA 1405 HA 0.09 -0.00 0.51 -0.75 4.34 4.18 2nz8B1 ALA 1405 HB3 0.11 0.01 0.08 -0.04 1.41 1.57 2nz8B1 ASN 1406 H 0.07 0.68 -0.07 -0.55 8.53 8.66 2nz8B1 ASN 1406 HA 0.09 -0.00 0.46 -0.75 4.76 4.56 2nz8B1 ASN 1406 HB2 0.07 0.09 0.16 -0.04 2.88 3.16 2nz8B1 ASN 1406 HB3 0.08 0.10 0.16 -0.04 2.79 3.09 2nz8B1 ASN 1406 HD21 0.11 -0.03 0.01 -0.04 7.03 7.08 2nz8B1 ASN 1406 HD22 0.07 0.00 0.04 -0.04 7.74 7.81 2nz8B1 ASP 1407 H 0.08 0.76 -0.06 -0.55 8.40 8.64 2nz8B1 ASP 1407 HA 0.18 -0.02 0.42 -0.75 4.63 4.45 2nz8B1 ASP 1407 HB2 0.04 0.11 0.11 -0.04 2.71 2.93 2nz8B1 ASP 1407 HB3 0.04 -0.07 -0.10 -0.04 2.70 2.52 2nz8B1 ALA 1408 H 0.10 0.52 -0.29 -0.55 8.40 8.18 2nz8B1 ALA 1408 HA 0.10 -0.01 0.41 -0.75 4.34 4.08 2nz8B1 ALA 1408 HB3 0.07 0.04 0.11 -0.04 1.41 1.59 2nz8B1 MET 1409 H 0.09 0.41 -0.19 -0.55 8.47 8.23 2nz8B1 MET 1409 HA 0.03 0.05 0.51 -0.75 4.52 4.35 2nz8B1 MET 1409 HB2 -0.09 0.03 0.01 -0.04 2.15 2.06 2nz8B1 MET 1409 HB3 -0.03 -0.04 0.06 -0.04 2.03 1.98 2nz8B1 MET 1409 HG2 0.06 0.38 0.23 -0.04 2.63 3.25 2nz8B1 MET 1409 HG3 0.03 -0.09 0.07 -0.04 2.56 2.53 2nz8B1 MET 1409 HE3 -0.01 -0.01 0.01 -0.04 2.10 2.05 2nz8B1 HIS 1410 H 0.21 0.41 -0.17 -0.55 8.41 8.32 2nz8B1 HIS 1410 HA 0.26 0.02 0.46 -0.75 4.63 4.61 2nz8B1 HIS 1410 HB2 0.23 0.19 0.13 -0.04 3.26 3.77 2nz8B1 HIS 1410 HB3 0.22 -0.05 -0.08 -0.04 3.20 3.25 2nz8B1 HIS 1410 HD2 0.10 0.22 -0.10 -0.04 6.97 7.14 2nz8B1 HIS 1410 HE1 0.20 -0.04 -0.04 -0.04 7.75 7.82 2nz8B1 LEU 1411 H 0.26 0.43 -0.19 -0.55 8.37 8.33 2nz8B1 LEU 1411 HA -0.25 -0.00 0.34 -0.75 4.35 3.69 2nz8B1 LEU 1411 HB2 0.11 0.03 0.06 -0.04 1.64 1.80 2nz8B1 LEU 1411 HB3 0.07 0.12 0.11 -0.04 1.64 1.91 2nz8B1 LEU 1411 HG -0.02 0.03 -0.14 -0.04 1.64 1.47 2nz8B1 LEU 1411 HD13 -0.21 -0.02 -0.03 -0.04 0.93 0.64 2nz8B1 LEU 1411 HD23 0.13 -0.01 -0.07 -0.04 0.89 0.91 2nz8B1 SER 1412 H 0.07 0.40 -0.28 -0.55 8.46 8.11 2nz8B1 SER 1412 HA 0.02 0.04 0.42 -0.75 4.49 4.22 2nz8B1 SER 1412 HB2 0.01 -0.07 0.12 -0.04 3.95 3.96 2nz8B1 SER 1412 HB3 0.03 0.02 0.14 -0.04 3.93 4.09 2nz8B1 MET 1413 H 0.10 0.34 -0.53 -0.55 8.47 7.83 2nz8B1 MET 1413 HA -0.03 0.08 0.62 -0.75 4.52 4.43 2nz8B1 MET 1413 HB2 0.01 0.20 0.11 -0.04 2.15 2.42 2nz8B1 MET 1413 HB3 -0.36 -0.20 0.17 -0.04 2.03 1.60 2nz8B1 MET 1413 HG2 -0.13 0.02 0.07 -0.04 2.63 2.54 2nz8B1 MET 1413 HG3 -0.05 0.12 0.02 -0.04 2.56 2.61 2nz8B1 MET 1413 HE3 -0.34 -0.01 -0.08 -0.04 2.10 1.63 2nz8B1 LEU 1414 H 0.06 0.43 -0.28 -0.55 8.37 8.04 2nz8B1 LEU 1414 HA 0.21 0.08 0.58 -0.75 4.35 4.47 2nz8B1 LEU 1414 HB2 -0.22 -0.03 0.10 -0.04 1.64 1.45 2nz8B1 LEU 1414 HB3 -0.10 0.15 0.16 -0.04 1.64 1.81 2nz8B1 LEU 1414 HG 0.06 -0.11 -0.23 -0.04 1.64 1.32 2nz8B1 LEU 1414 HD13 0.20 0.03 -0.10 -0.04 0.93 1.03 2nz8B1 LEU 1414 HD23 -0.50 -0.01 -0.06 -0.04 0.89 0.27 2nz8B1 GLU 1415 H 0.16 0.90 0.50 -0.55 8.60 9.62 2nz8B1 GLU 1415 HA 0.08 0.14 0.87 -0.75 4.29 4.63 2nz8B1 GLU 1415 HB2 0.05 0.12 -0.09 -0.04 2.09 2.13 2nz8B1 GLU 1415 HB3 0.09 -0.04 -0.01 -0.04 1.99 1.99 2nz8B1 GLU 1415 HG2 0.05 -0.05 -0.03 -0.04 2.34 2.26 2nz8B1 GLU 1415 HG3 0.06 -0.10 0.06 -0.04 2.34 2.32 2nz8B1 GLY 1416 H 0.08 0.19 0.14 -0.55 8.43 8.29 2nz8B1 GLY 1416 HA2 0.09 0.01 0.36 -0.51 4.01 3.97 2nz8B1 GLY 1416 HA3 0.19 0.17 0.66 -0.51 4.01 4.51 2nz8B1 PHE 1417 H 0.16 0.13 -0.50 -0.55 8.34 7.58 2nz8B1 PHE 1417 HA -0.66 0.20 0.46 -0.75 4.62 3.86 2nz8B1 PHE 1417 HB2 -0.20 0.02 -0.11 -0.04 3.15 2.82 2nz8B1 PHE 1417 HB3 -0.14 0.06 -0.06 -0.04 3.06 2.87 2nz8B1 PHE 1417 HD2 -0.74 0.03 -0.04 -0.04 7.28 6.48 2nz8B1 PHE 1417 HE2 -0.20 0.02 -0.00 -0.04 7.38 7.15 2nz8B1 PHE 1417 HZ -0.20 -0.04 -0.03 -0.04 7.32 7.01 2nz8B1 SER 1423 HA -0.00 -0.23 0.30 -0.75 4.49 3.80 2nz8B1 SER 1423 HB2 0.00 -0.02 0.06 -0.04 3.95 3.94 2nz8B1 SER 1423 HB3 -0.00 0.03 -0.00 -0.04 3.93 3.91 2nz8B1 GLN 1424 H -0.29 0.10 0.01 -0.55 8.47 7.75 2nz8B1 GLN 1424 HA -0.01 0.01 0.40 -0.75 4.36 4.00 2nz8B1 GLN 1424 HB2 0.01 0.01 0.01 -0.04 2.15 2.15 2nz8B1 GLN 1424 HB3 -0.00 0.03 0.03 -0.04 2.02 2.03 2nz8B1 GLN 1424 HG2 -0.03 -0.06 0.12 -0.04 2.40 2.38 2nz8B1 GLN 1424 HG3 0.07 0.03 -0.01 -0.04 2.39 2.43 2nz8B1 GLN 1424 HE21 0.18 0.06 -0.06 -0.04 6.97 7.10 2nz8B1 GLN 1424 HE22 0.01 -0.05 -0.16 -0.04 7.69 7.44 2nz8B1 GLY 1425 H 0.04 0.17 0.09 -0.55 8.43 8.18 2nz8B1 GLY 1425 HA2 0.08 0.04 0.35 -0.51 4.01 3.96 2nz8B1 GLY 1425 HA3 0.12 0.05 0.83 -0.51 4.01 4.50 2nz8B1 GLU 1426 H 0.11 0.10 0.18 -0.55 8.60 8.45 2nz8B1 GLU 1426 HA 0.13 0.15 0.59 -0.75 4.29 4.41 2nz8B1 GLU 1426 HB2 0.06 -0.04 0.08 -0.04 2.09 2.14 2nz8B1 GLU 1426 HB3 0.04 0.01 0.02 -0.04 1.99 2.02 2nz8B1 GLU 1426 HG2 0.01 0.13 -0.10 -0.04 2.34 2.34 2nz8B1 GLU 1426 HG3 0.04 0.00 0.04 -0.04 2.34 2.39 2nz8B1 LEU 1427 H 0.06 0.15 0.11 -0.55 8.37 8.14 2nz8B1 LEU 1427 HA -0.46 0.08 0.49 -0.75 4.35 3.71 2nz8B1 LEU 1427 HB2 -0.04 0.01 0.07 -0.04 1.64 1.63 2nz8B1 LEU 1427 HB3 -0.11 -0.00 -0.01 -0.04 1.64 1.47 2nz8B1 LEU 1427 HG -0.66 0.02 -0.13 -0.04 1.64 0.82 2nz8B1 LEU 1427 HD13 0.07 -0.01 -0.18 -0.04 0.93 0.77 2nz8B1 LEU 1427 HD23 -0.39 -0.01 -0.23 -0.04 0.89 0.22 2nz8B1 ILE 1428 H -0.28 0.67 0.40 -0.55 8.25 8.49 2nz8B1 ILE 1428 HA -0.21 0.09 0.60 -0.75 4.18 3.91 2nz8B1 ILE 1428 HB -0.25 0.09 0.07 -0.04 1.89 1.76 2nz8B1 ILE 1428 HG12 -0.07 -0.07 -0.13 -0.04 1.49 1.18 2nz8B1 ILE 1428 HG13 -0.07 0.11 -0.16 -0.04 1.21 1.05 2nz8B1 ILE 1428 HG23 -0.32 -0.02 -0.12 -0.04 0.93 0.43 2nz8B1 ILE 1428 HD13 -0.01 0.02 -0.19 -0.04 0.88 0.66 2nz8B1 LEU 1429 H -0.44 0.37 0.28 -0.55 8.37 8.03 2nz8B1 LEU 1429 HA -0.42 0.16 0.64 -0.75 4.35 3.98 2nz8B1 LEU 1429 HB2 -1.58 -0.05 -0.02 -0.04 1.64 -0.05 2nz8B1 LEU 1429 HB3 -1.22 0.01 -0.05 -0.04 1.64 0.34 2nz8B1 LEU 1429 HG -0.92 0.05 -0.42 -0.04 1.64 0.31 2nz8B1 LEU 1429 HD13 -1.40 -0.01 -0.21 -0.04 0.93 -0.74 2nz8B1 LEU 1429 HD23 -0.51 0.02 0.03 -0.04 0.89 0.40 2nz8B1 GLN 1430 H -0.18 0.26 0.17 -0.55 8.47 8.18 2nz8B1 GLN 1430 HA 0.00 0.41 0.64 -0.75 4.36 4.66 2nz8B1 GLN 1430 HB2 -0.49 0.04 0.04 -0.04 2.15 1.69 2nz8B1 GLN 1430 HB3 -0.25 0.02 0.10 -0.04 2.02 1.85 2nz8B1 GLN 1430 HG2 0.06 0.09 0.00 -0.04 2.40 2.51 2nz8B1 GLN 1430 HG3 -0.08 -0.09 0.00 -0.04 2.39 2.18 2nz8B1 GLN 1430 HE21 -0.19 -0.03 -0.07 -0.04 6.97 6.64 2nz8B1 GLN 1430 HE22 -0.03 -0.01 -0.03 -0.04 7.69 7.59 2nz8B1 GLU 1431 H -0.25 0.62 0.30 -0.55 8.60 8.72 2nz8B1 GLU 1431 HA -0.44 0.04 0.54 -0.75 4.29 3.67 2nz8B1 GLU 1431 HB2 0.19 0.11 -0.17 -0.04 2.09 2.18 2nz8B1 GLU 1431 HB3 -0.12 -0.03 -0.15 -0.04 1.99 1.65 2nz8B1 GLU 1431 HG2 -0.53 -0.08 0.01 -0.04 2.34 1.70 2nz8B1 GLU 1431 HG3 -0.64 0.14 0.15 -0.04 2.34 1.95 2nz8B1 SER 1432 H -0.61 0.10 0.19 -0.55 8.46 7.60 2nz8B1 SER 1432 HA -0.54 0.13 0.97 -0.75 4.49 4.29 2nz8B1 SER 1432 HB2 -0.21 0.12 0.12 -0.04 3.95 3.93 2nz8B1 SER 1432 HB3 -0.24 0.05 0.16 -0.04 3.93 3.86 2nz8B1 PHE 1433 H -0.14 0.35 0.34 -0.55 8.34 8.33 2nz8B1 PHE 1433 HA -0.24 0.29 0.71 -0.75 4.62 4.62 2nz8B1 PHE 1433 HB2 -0.35 0.08 -0.12 -0.04 3.15 2.72 2nz8B1 PHE 1433 HB3 -0.32 -0.26 0.15 -0.04 3.06 2.59 2nz8B1 PHE 1433 HD2 -0.54 -0.02 -0.43 -0.04 7.28 6.25 2nz8B1 PHE 1433 HE2 -1.22 -0.04 -0.20 -0.04 7.38 5.88 2nz8B1 PHE 1433 HZ -2.38 -0.03 -0.15 -0.04 7.32 4.72 2nz8B1 GLN 1434 H 0.02 -0.04 0.20 -0.55 8.47 8.11 2nz8B1 GLN 1434 HA 0.01 0.27 0.64 -0.75 4.36 4.53 2nz8B1 GLN 1434 HB2 -0.03 0.04 -0.04 -0.04 2.15 2.08 2nz8B1 GLN 1434 HB3 -0.03 -0.02 0.08 -0.04 2.02 2.00 2nz8B1 GLN 1434 HG2 -0.02 0.01 0.05 -0.04 2.40 2.40 2nz8B1 GLN 1434 HG3 -0.01 0.05 0.08 -0.04 2.39 2.47 2nz8B1 GLN 1434 HE21 -0.01 -0.02 -0.00 -0.04 6.97 6.89 2nz8B1 GLN 1434 HE22 -0.01 0.02 0.01 -0.04 7.69 7.67 2nz8B1 HIS 1449 HA -0.24 -0.16 0.37 -0.75 4.63 3.84 2nz8B1 HIS 1449 HB2 -0.29 -0.06 -0.02 -0.04 3.26 2.86 2nz8B1 HIS 1449 HB3 -0.49 -0.02 -0.11 -0.04 3.20 2.54 2nz8B1 HIS 1449 HD2 -1.26 0.11 -0.39 -0.04 6.97 5.39 2nz8B1 HIS 1449 HE1 -0.31 0.00 -0.10 -0.04 7.75 7.30 2nz8B1 LEU 1450 H -0.39 0.76 0.37 -0.55 8.37 8.55 2nz8B1 LEU 1450 HA -0.14 0.39 1.10 -0.75 4.35 4.94 2nz8B1 LEU 1450 HB2 -0.20 0.01 0.06 -0.04 1.64 1.47 2nz8B1 LEU 1450 HB3 -0.15 -0.06 -0.14 -0.04 1.64 1.25 2nz8B1 LEU 1450 HG -1.00 0.11 -0.12 -0.04 1.64 0.58 2nz8B1 LEU 1450 HD13 -0.34 -0.01 -0.33 -0.04 0.93 0.22 2nz8B1 LEU 1450 HD23 -1.01 -0.02 -0.17 -0.04 0.89 -0.35 2nz8B1 PHE 1451 H 0.19 0.76 0.34 -0.55 8.34 9.08 2nz8B1 PHE 1451 HA -0.01 0.23 1.03 -0.75 4.62 5.12 2nz8B1 PHE 1451 HB2 0.13 -0.04 0.17 -0.04 3.15 3.37 2nz8B1 PHE 1451 HB3 -0.22 -0.01 -0.02 -0.04 3.06 2.77 2nz8B1 PHE 1451 HD2 -0.04 0.04 -0.14 -0.04 7.28 7.09 2nz8B1 PHE 1451 HE2 -0.07 -0.00 -0.25 -0.04 7.38 7.01 2nz8B1 PHE 1451 HZ -0.16 0.09 -0.32 -0.04 7.32 6.89 2nz8B1 LEU 1452 H -0.09 0.74 0.26 -0.55 8.37 8.73 2nz8B1 LEU 1452 HA 0.13 0.16 1.00 -0.75 4.35 4.89 2nz8B1 LEU 1452 HB2 0.21 -0.04 -0.01 -0.04 1.64 1.76 2nz8B1 LEU 1452 HB3 -0.41 -0.15 0.23 -0.04 1.64 1.26 2nz8B1 LEU 1452 HG 0.03 -0.07 -0.08 -0.04 1.64 1.48 2nz8B1 LEU 1452 HD13 -0.15 0.01 -0.22 -0.04 0.93 0.52 2nz8B1 LEU 1452 HD23 0.13 0.06 -0.03 -0.04 0.89 1.01 2nz8B1 PHE 1453 H 0.33 0.69 0.36 -0.55 8.34 9.16 2nz8B1 PHE 1453 HA 0.01 0.19 0.83 -0.75 4.62 4.91 2nz8B1 PHE 1453 HB2 0.07 -0.03 0.13 -0.04 3.15 3.28 2nz8B1 PHE 1453 HB3 0.05 -0.09 0.01 -0.04 3.06 2.99 2nz8B1 PHE 1453 HD2 0.03 0.08 -0.37 -0.04 7.28 6.98 2nz8B1 PHE 1453 HE2 -0.07 0.02 -0.14 -0.04 7.38 7.16 2nz8B1 PHE 1453 HZ -0.21 0.04 -0.11 -0.04 7.32 7.00 2nz8B1 GLU 1454 H 0.22 0.14 0.18 -0.55 8.60 8.60 2nz8B1 GLU 1454 HA 0.08 0.12 0.49 -0.75 4.29 4.22 2nz8B1 GLU 1454 HB2 0.11 -0.16 0.24 -0.04 2.09 2.24 2nz8B1 GLU 1454 HB3 0.07 0.06 0.05 -0.04 1.99 2.13 2nz8B1 GLU 1454 HG2 0.04 0.06 0.07 -0.04 2.34 2.47 2nz8B1 GLU 1454 HG3 0.06 0.06 0.14 -0.04 2.34 2.56 2nz8B1 MET 1455 H 0.18 0.05 -0.07 -0.55 8.47 8.08 2nz8B1 MET 1455 HA 0.14 0.24 0.81 -0.75 4.52 4.95 2nz8B1 MET 1455 HB2 0.10 -0.02 0.19 -0.04 2.15 2.38 2nz8B1 MET 1455 HB3 0.07 0.07 -0.04 -0.04 2.03 2.10 2nz8B1 MET 1455 HG2 0.09 -0.11 -0.04 -0.04 2.63 2.53 2nz8B1 MET 1455 HG3 0.09 0.05 -0.09 -0.04 2.56 2.57 2nz8B1 MET 1455 HE3 0.01 0.00 -0.01 -0.04 2.10 2.07 2nz8B1 SER 1456 H 0.24 0.13 -0.07 -0.55 8.46 8.21 2nz8B1 SER 1456 HA 0.23 0.20 0.65 -0.75 4.49 4.82 2nz8B1 SER 1456 HB2 0.13 0.01 0.02 -0.04 3.95 4.07 2nz8B1 SER 1456 HB3 0.17 0.06 -0.11 -0.04 3.93 4.02 2nz8B1 LEU 1457 H 0.16 0.55 0.27 -0.55 8.37 8.80 2nz8B1 LEU 1457 HA 0.23 0.18 1.04 -0.75 4.35 5.04 2nz8B1 LEU 1457 HB2 0.17 0.04 -0.09 -0.04 1.64 1.72 2nz8B1 LEU 1457 HB3 0.20 -0.11 0.19 -0.04 1.64 1.88 2nz8B1 LEU 1457 HG 0.17 -0.00 -0.02 -0.04 1.64 1.74 2nz8B1 LEU 1457 HD13 0.16 -0.01 -0.10 -0.04 0.93 0.94 2nz8B1 LEU 1457 HD23 -0.05 -0.00 -0.23 -0.04 0.89 0.56 2nz8B1 VAL 1458 H 0.26 0.82 0.34 -0.55 8.24 9.10 2nz8B1 VAL 1458 HA 0.32 0.16 0.99 -0.75 4.13 4.85 2nz8B1 VAL 1458 HB 0.31 -0.00 0.18 -0.04 2.12 2.56 2nz8B1 VAL 1458 HG13 0.25 0.02 -0.15 -0.04 0.97 1.05 2nz8B1 VAL 1458 HG23 -0.03 -0.02 -0.12 -0.04 0.95 0.75 2nz8B1 PHE 1459 H 0.41 0.73 0.46 -0.55 8.34 9.39 2nz8B1 PHE 1459 HA 0.08 0.16 0.88 -0.75 4.62 4.98 2nz8B1 PHE 1459 HB2 -0.05 -0.07 0.22 -0.04 3.15 3.21 2nz8B1 PHE 1459 HB3 -0.03 0.06 0.04 -0.04 3.06 3.09 2nz8B1 PHE 1459 HD2 -0.02 0.07 -0.09 -0.04 7.28 7.20 2nz8B1 PHE 1459 HE2 -0.08 0.02 -0.12 -0.04 7.38 7.16 2nz8B1 PHE 1459 HZ -0.13 -0.04 -0.13 -0.04 7.32 6.98 2nz8B1 SER 1460 H 0.15 0.54 0.32 -0.55 8.46 8.93 2nz8B1 SER 1460 HA 0.18 0.11 0.92 -0.75 4.49 4.95 2nz8B1 SER 1460 HB2 0.22 -0.02 -0.14 -0.04 3.95 3.97 2nz8B1 SER 1460 HB3 0.31 -0.10 -0.35 -0.04 3.93 3.76 2nz8B1 LYS 1461 H 0.18 0.65 0.23 -0.55 8.42 8.93 2nz8B1 LYS 1461 HA 0.15 0.19 0.89 -0.75 4.32 4.80 2nz8B1 LYS 1461 HB2 0.08 0.02 -0.02 -0.04 1.87 1.91 2nz8B1 LYS 1461 HB3 0.10 -0.00 0.12 -0.04 1.79 1.96 2nz8B1 LYS 1461 HG2 0.09 0.06 -0.39 -0.04 1.46 1.18 2nz8B1 LYS 1461 HG3 0.08 0.00 0.03 -0.04 1.46 1.52 2nz8B1 LYS 1461 HD2 0.04 -0.01 -0.02 -0.04 1.69 1.65 2nz8B1 LYS 1461 HD3 0.05 -0.03 -0.04 -0.04 1.68 1.62 2nz8B1 LYS 1461 HE2 0.03 -0.05 -0.02 -0.04 2.99 2.91 2nz8B1 LYS 1461 HE3 0.04 -0.02 -0.06 -0.04 2.99 2.91 2nz8B1 GLU 1462 H 0.22 0.17 0.13 -0.55 8.60 8.57 2nz8B1 GLU 1462 HA 0.25 0.25 0.73 -0.75 4.29 4.77 2nz8B1 GLU 1462 HB2 0.46 -0.02 0.08 -0.04 2.09 2.58 2nz8B1 GLU 1462 HB3 0.18 -0.05 0.18 -0.04 1.99 2.26 2nz8B1 GLU 1462 HG2 0.07 -0.04 -0.20 -0.04 2.34 2.13 2nz8B1 GLU 1462 HG3 -0.00 0.13 -0.01 -0.04 2.34 2.41 2nz8B1 VAL 1463 H 0.05 0.83 0.54 -0.55 8.24 9.10 2nz8B1 VAL 1463 HA 0.04 0.13 0.79 -0.75 4.13 4.33 2nz8B1 VAL 1463 HB 0.03 -0.05 0.14 -0.04 2.12 2.21 2nz8B1 VAL 1463 HG13 0.06 0.01 -0.22 -0.04 0.97 0.78 2nz8B1 VAL 1463 HG23 0.05 -0.00 -0.14 -0.04 0.95 0.82 2nz8B1 LYS 1464 H 0.01 0.18 0.15 -0.55 8.42 8.21 2nz8B1 LYS 1464 HA -0.01 0.21 0.83 -0.75 4.32 4.60 2nz8B1 LYS 1464 HB2 0.00 -0.04 0.06 -0.04 1.87 1.85 2nz8B1 LYS 1464 HB3 -0.00 0.05 -0.15 -0.04 1.79 1.66 2nz8B1 LYS 1464 HG2 -0.01 0.03 -0.18 -0.04 1.46 1.25 2nz8B1 LYS 1464 HG3 -0.00 -0.05 -0.22 -0.04 1.46 1.15 2nz8B1 LYS 1464 HD2 0.00 -0.04 -0.03 -0.04 1.69 1.57 2nz8B1 LYS 1464 HD3 -0.00 0.06 -0.03 -0.04 1.68 1.66 2nz8B1 LYS 1464 HE2 -0.01 0.04 0.01 -0.04 2.99 2.98 2nz8B1 LYS 1464 HE3 -0.00 -0.03 -0.04 -0.04 2.99 2.88 2nz8B1 ASP 1465 H -0.01 0.79 0.08 -0.55 8.40 8.71 2nz8B1 ASP 1465 HA 0.01 0.12 0.51 -0.75 4.63 4.51 2nz8B1 ASP 1465 HB2 -0.01 -0.07 0.18 -0.04 2.71 2.77 2nz8B1 ASP 1465 HB3 -0.00 -0.41 0.12 -0.04 2.70 2.36 2nz8B1 SER 1466 H 0.01 0.18 0.18 -0.55 8.46 8.28 2nz8B1 SER 1466 HA 0.00 0.18 0.65 -0.75 4.49 4.57 2nz8B1 SER 1466 HB2 0.00 0.04 0.08 -0.04 3.95 4.04 2nz8B1 SER 1466 HB3 0.01 0.05 0.14 -0.04 3.93 4.08 2nz8B1 SER 1467 H 0.00 0.03 -0.09 -0.55 8.46 7.85 2nz8B1 SER 1467 HA -0.00 0.20 0.63 -0.75 4.49 4.56 2nz8B1 SER 1467 HB2 -0.00 0.07 0.12 -0.04 3.95 4.10 2nz8B1 SER 1467 HB3 0.00 0.01 0.08 -0.04 3.93 3.98 2nz8B1 GLY 1468 H -0.00 0.23 -0.85 -0.55 8.43 7.26 2nz8B1 GLY 1468 HA2 -0.00 0.12 0.16 -0.51 4.01 3.78 2nz8B1 GLY 1468 HA3 -0.01 0.12 0.42 -0.51 4.01 4.04 2nz8B1 ARG 1469 H -0.01 -0.08 -0.34 -0.55 8.46 7.49 2nz8B1 ARG 1469 HA -0.02 0.12 0.54 -0.75 4.34 4.22 2nz8B1 ARG 1469 HB2 -0.01 0.02 -0.01 -0.04 1.90 1.84 2nz8B1 ARG 1469 HB3 -0.02 -0.09 0.07 -0.04 1.80 1.72 2nz8B1 ARG 1469 HG2 -0.04 0.13 -0.18 -0.04 1.67 1.54 2nz8B1 ARG 1469 HG3 -0.03 0.01 0.02 -0.04 1.67 1.63 2nz8B1 ARG 1469 HD2 -0.01 -0.04 -0.02 -0.04 3.22 3.10 2nz8B1 ARG 1469 HD3 -0.02 0.00 -0.04 -0.04 3.22 3.13 2nz8B1 SER 1470 H -0.04 0.14 0.23 -0.55 8.46 8.24 2nz8B1 SER 1470 HA -0.05 0.17 0.75 -0.75 4.49 4.61 2nz8B1 SER 1470 HB2 -0.09 0.03 0.01 -0.04 3.95 3.86 2nz8B1 SER 1470 HB3 -0.04 -0.01 0.08 -0.04 3.93 3.92 2nz8B1 LYS 1471 H -0.09 0.82 0.48 -0.55 8.42 9.08 2nz8B1 LYS 1471 HA -0.35 0.10 0.68 -0.75 4.32 3.99 2nz8B1 LYS 1471 HB2 -0.04 0.22 0.15 -0.04 1.87 2.16 2nz8B1 LYS 1471 HB3 -0.08 0.05 -0.00 -0.04 1.79 1.71 2nz8B1 LYS 1471 HG2 -0.04 0.09 -0.21 -0.04 1.46 1.26 2nz8B1 LYS 1471 HG3 -0.00 -0.07 -0.20 -0.04 1.46 1.14 2nz8B1 LYS 1471 HD2 0.00 -0.14 -0.09 -0.04 1.69 1.42 2nz8B1 LYS 1471 HD3 0.02 0.02 -0.11 -0.04 1.68 1.57 2nz8B1 LYS 1471 HE2 -0.02 -0.04 -0.18 -0.04 2.99 2.71 2nz8B1 LYS 1471 HE3 -0.00 -0.10 -0.06 -0.04 2.99 2.79 2nz8B1 TYR 1472 H -0.03 0.67 0.07 -0.55 8.29 8.46 2nz8B1 TYR 1472 HA 0.10 0.18 0.75 -0.75 4.56 4.83 2nz8B1 TYR 1472 HB2 0.15 -0.02 -0.04 -0.04 3.06 3.11 2nz8B1 TYR 1472 HB3 0.21 0.01 -0.19 -0.04 2.98 2.96 2nz8B1 TYR 1472 HD2 0.14 0.04 -0.19 -0.04 7.15 7.09 2nz8B1 TYR 1472 HE2 0.11 -0.01 -0.04 -0.04 6.85 6.87 2nz8B1 LEU 1473 H 0.19 0.84 0.29 -0.55 8.37 9.14 2nz8B1 LEU 1473 HA 0.16 0.14 0.76 -0.75 4.35 4.66 2nz8B1 LEU 1473 HB2 0.10 0.02 0.15 -0.04 1.64 1.88 2nz8B1 LEU 1473 HB3 0.11 -0.04 0.12 -0.04 1.64 1.79 2nz8B1 LEU 1473 HG 0.09 -0.07 -0.02 -0.04 1.64 1.60 2nz8B1 LEU 1473 HD13 0.06 -0.02 -0.02 -0.04 0.93 0.91 2nz8B1 LEU 1473 HD23 0.11 0.02 -0.01 -0.04 0.89 0.97 2nz8B1 TYR 1474 H 0.30 0.83 0.42 -0.55 8.29 9.28 2nz8B1 TYR 1474 HA 0.17 0.08 0.56 -0.75 4.56 4.62 2nz8B1 TYR 1474 HB2 0.21 -0.05 -0.10 -0.04 3.06 3.08 2nz8B1 TYR 1474 HB3 0.16 -0.06 -0.14 -0.04 2.98 2.90 2nz8B1 TYR 1474 HD2 0.16 0.05 -0.14 -0.04 7.15 7.18 2nz8B1 TYR 1474 HE2 0.17 -0.02 -0.15 -0.04 6.85 6.81 2nz8B1 LYS 1475 H -0.24 0.58 0.38 -0.55 8.42 8.59 2nz8B1 LYS 1475 HA -0.18 0.17 0.96 -0.75 4.32 4.52 2nz8B1 LYS 1475 HB2 -0.04 -0.02 0.01 -0.04 1.87 1.78 2nz8B1 LYS 1475 HB3 -0.09 -0.06 -0.02 -0.04 1.79 1.58 2nz8B1 LYS 1475 HG2 0.04 0.17 -0.27 -0.04 1.46 1.36 2nz8B1 LYS 1475 HG3 0.03 -0.02 -0.15 -0.04 1.46 1.28 2nz8B1 LYS 1475 HD2 -0.01 -0.06 -0.03 -0.04 1.69 1.55 2nz8B1 LYS 1475 HD3 -0.02 0.07 0.01 -0.04 1.68 1.70 2nz8B1 LYS 1475 HE2 0.05 0.05 -0.10 -0.04 2.99 2.95 2nz8B1 LYS 1475 HE3 0.04 -0.03 -0.05 -0.04 2.99 2.91 2nz8B1 SER 1476 H -0.23 0.29 0.31 -0.55 8.46 8.29 2nz8B1 SER 1476 HA -0.26 0.18 0.81 -0.75 4.49 4.47 2nz8B1 SER 1476 HB2 -0.17 -0.01 0.12 -0.04 3.95 3.84 2nz8B1 SER 1476 HB3 -0.19 0.07 -0.12 -0.04 3.93 3.65 2nz8B1 LYS 1477 H 0.01 0.27 0.24 -0.55 8.42 8.38 2nz8B1 LYS 1477 HA 0.26 0.27 0.99 -0.75 4.32 5.10 2nz8B1 LYS 1477 HB2 0.52 0.03 -0.14 -0.04 1.87 2.23 2nz8B1 LYS 1477 HB3 0.17 -0.03 0.02 -0.04 1.79 1.90 2nz8B1 LYS 1477 HG2 -0.16 -0.02 -0.25 -0.04 1.46 0.99 2nz8B1 LYS 1477 HG3 0.15 0.02 -0.05 -0.04 1.46 1.54 2nz8B1 LYS 1477 HD2 0.11 -0.01 -0.07 -0.04 1.69 1.68 2nz8B1 LYS 1477 HD3 0.41 0.01 -0.07 -0.04 1.68 1.98 2nz8B1 LYS 1477 HE2 0.04 0.00 -0.05 -0.04 2.99 2.94 2nz8B1 LYS 1477 HE3 0.07 -0.01 -0.06 -0.04 2.99 2.95 2nz8B1 LEU 1478 H 0.13 0.67 0.40 -0.55 8.37 9.02 2nz8B1 LEU 1478 HA -0.08 0.12 0.90 -0.75 4.35 4.54 2nz8B1 LEU 1478 HB2 0.16 0.01 0.08 -0.04 1.64 1.85 2nz8B1 LEU 1478 HB3 0.08 0.02 0.12 -0.04 1.64 1.82 2nz8B1 LEU 1478 HG 0.07 -0.07 -0.33 -0.04 1.64 1.27 2nz8B1 LEU 1478 HD13 0.12 -0.00 -0.06 -0.04 0.93 0.95 2nz8B1 LEU 1478 HD23 -0.03 0.03 0.01 -0.04 0.89 0.86 2nz8B1 PHE 1479 H 0.06 0.09 0.12 -0.55 8.34 8.06 2nz8B1 PHE 1479 HA 0.10 0.21 0.71 -0.75 4.62 4.88 2nz8B1 PHE 1479 HB2 0.06 -0.03 0.04 -0.04 3.15 3.18 2nz8B1 PHE 1479 HB3 0.06 0.01 0.13 -0.04 3.06 3.22 2nz8B1 PHE 1479 HD2 0.06 0.14 0.10 -0.04 7.28 7.54 2nz8B1 PHE 1479 HE2 0.05 -0.00 0.00 -0.04 7.38 7.39 2nz8B1 PHE 1479 HZ 0.04 -0.01 -0.02 -0.04 7.32 7.29 2nz8B1 THR 1480 H 0.26 0.21 0.07 -0.55 8.28 8.27 2nz8B1 THR 1480 HA 0.14 0.06 0.41 -0.75 4.39 4.25 2nz8B1 THR 1480 HB 0.08 0.06 0.07 -0.04 4.32 4.49 2nz8B1 THR 1480 HG23 0.12 0.03 -0.03 -0.04 1.22 1.30 2nz8B1 SER 1481 H 0.11 0.21 0.05 -0.55 8.46 8.28 2nz8B1 SER 1481 HA 0.06 0.09 0.31 -0.75 4.49 4.20 2nz8B1 SER 1481 HB2 0.06 -0.01 0.05 -0.04 3.95 4.00 2nz8B1 SER 1481 HB3 0.08 0.16 0.04 -0.04 3.93 4.17 2nz8B1 GLU 1482 H 0.08 0.14 0.10 -0.55 8.60 8.38 2nz8B1 GLU 1482 HA 0.05 0.05 0.22 -0.75 4.29 3.86 2nz8B1 GLU 1482 HB2 0.06 -0.01 0.16 -0.04 2.09 2.26 2nz8B1 GLU 1482 HB3 0.04 0.05 -0.00 -0.04 1.99 2.04 2nz8B1 GLU 1482 HG2 0.05 0.05 0.00 -0.04 2.34 2.40 2nz8B1 GLU 1482 HG3 0.06 -0.04 0.07 -0.04 2.34 2.40 2nz8B1 LEU 1483 H 0.05 0.20 0.29 -0.55 8.37 8.36 2nz8B1 LEU 1483 HA 0.07 0.14 0.89 -0.75 4.35 4.71 2nz8B1 LEU 1483 HB2 0.05 0.07 -0.08 -0.04 1.64 1.64 2nz8B1 LEU 1483 HB3 0.04 0.00 0.09 -0.04 1.64 1.73 2nz8B1 LEU 1483 HG 0.03 -0.07 -0.25 -0.04 1.64 1.31 2nz8B1 LEU 1483 HD13 0.04 -0.01 -0.07 -0.04 0.93 0.86 2nz8B1 LEU 1483 HD23 0.02 -0.00 -0.08 -0.04 0.89 0.78 2nz8B1 GLY 1484 H 0.09 0.16 0.08 -0.55 8.43 8.22 2nz8B1 GLY 1484 HA2 0.04 0.15 0.80 -0.51 4.01 4.49 2nz8B1 GLY 1484 HA3 0.07 0.04 0.32 -0.51 4.01 3.93 2nz8B1 VAL 1485 H 0.03 0.25 0.04 -0.55 8.24 8.00 2nz8B1 VAL 1485 HA 0.00 0.14 0.77 -0.75 4.13 4.28 2nz8B1 VAL 1485 HB 0.00 0.02 0.17 -0.04 2.12 2.27 2nz8B1 VAL 1485 HG13 -0.04 -0.01 -0.10 -0.04 0.97 0.79 2nz8B1 VAL 1485 HG23 -0.00 0.02 -0.11 -0.04 0.95 0.81 2nz8B1 THR 1486 H 0.07 0.31 0.17 -0.55 8.28 8.29 2nz8B1 THR 1486 HA -0.00 0.06 0.71 -0.75 4.39 4.41 2nz8B1 THR 1486 HB 0.07 0.12 0.19 -0.04 4.32 4.66 2nz8B1 THR 1486 HG23 0.03 -0.00 0.04 -0.04 1.22 1.25 2nz8B1 GLU 1487 H -0.17 0.06 0.16 -0.55 8.60 8.11 2nz8B1 GLU 1487 HA -0.09 0.18 0.85 -0.75 4.29 4.47 2nz8B1 GLU 1487 HB2 -0.23 -0.01 -0.04 -0.04 2.09 1.77 2nz8B1 GLU 1487 HB3 -0.85 0.01 0.04 -0.04 1.99 1.14 2nz8B1 GLU 1487 HG2 -0.21 -0.02 -0.03 -0.04 2.34 2.04 2nz8B1 GLU 1487 HG3 -0.12 -0.00 0.02 -0.04 2.34 2.20 2nz8B1 HIS 1488 H -0.16 0.02 0.17 -0.55 8.41 7.89 2nz8B1 HIS 1488 HA 0.03 0.17 0.79 -0.75 4.63 4.86 2nz8B1 HIS 1488 HB2 0.02 0.07 0.04 -0.04 3.26 3.35 2nz8B1 HIS 1488 HB3 0.01 -0.01 0.05 -0.04 3.20 3.20 2nz8B1 HIS 1488 HD2 0.01 0.04 0.05 -0.04 6.97 7.02 2nz8B1 HIS 1488 HE1 0.01 0.01 -0.05 -0.04 7.75 7.67 2nz8B1 VAL 1489 H 0.10 0.07 0.05 -0.55 8.24 7.91 2nz8B1 VAL 1489 HA 0.05 0.24 0.80 -0.75 4.13 4.47 2nz8B1 VAL 1489 HB 0.03 -0.23 0.16 -0.04 2.12 2.03 2nz8B1 VAL 1489 HG13 0.02 0.03 -0.02 -0.04 0.97 0.95 2nz8B1 VAL 1489 HG23 0.03 0.06 -0.15 -0.04 0.95 0.86 2nz8B1 GLU 1490 H 0.03 0.17 -0.01 -0.55 8.60 8.24 2nz8B1 GLU 1490 HA 0.02 0.16 0.72 -0.75 4.29 4.43 2nz8B1 GLU 1490 HB2 0.01 -0.01 0.04 -0.04 2.09 2.10 2nz8B1 GLU 1490 HB3 0.01 0.03 0.16 -0.04 1.99 2.14 2nz8B1 GLU 1490 HG2 0.01 0.01 0.04 -0.04 2.34 2.36 2nz8B1 GLU 1490 HG3 0.02 0.08 -0.37 -0.04 2.34 2.03 2nz8B1 GLY 1491 H 0.02 0.10 0.01 -0.55 8.43 8.02 2nz8B1 GLY 1491 HA2 0.01 0.01 0.32 -0.51 4.01 3.85 2nz8B1 GLY 1491 HA3 0.01 0.13 0.62 -0.51 4.01 4.25 2nz8B1 ASP 1492 H 0.03 0.03 0.10 -0.55 8.40 8.02 2nz8B1 ASP 1492 HA 0.01 0.20 0.74 -0.75 4.63 4.83 2nz8B1 ASP 1492 HB2 0.02 -0.21 -0.05 -0.04 2.71 2.43 2nz8B1 ASP 1492 HB3 0.01 0.12 0.06 -0.04 2.70 2.86 2nz8B1 PRO 1493 HA 0.03 0.01 0.53 -0.51 4.44 4.49 2nz8B1 PRO 1493 HB2 0.01 0.08 -0.02 -0.04 2.28 2.30 2nz8B1 PRO 1493 HB3 0.01 0.22 0.21 -0.04 2.02 2.42 2nz8B1 PRO 1493 HG2 -0.00 0.04 0.09 -0.04 2.03 2.11 2nz8B1 PRO 1493 HG3 0.00 0.02 0.12 -0.04 2.03 2.13 2nz8B1 PRO 1493 HD2 0.01 0.10 0.17 -0.04 3.68 3.91 2nz8B1 PRO 1493 HD3 0.01 0.12 0.18 -0.04 3.65 3.92 2nz8B1 CYS 1494 H 0.05 0.09 0.04 -0.55 8.50 8.13 2nz8B1 CYS 1494 HA 0.06 0.23 0.38 -0.75 4.58 4.49 2nz8B1 CYS 1494 HB2 0.11 -0.12 0.09 -0.04 2.97 3.01 2nz8B1 CYS 1494 HB3 0.10 0.05 0.05 -0.04 2.97 3.14 2nz8B1 LYS 1495 H 0.07 0.25 0.01 -0.55 8.42 8.20 2nz8B1 LYS 1495 HA -0.03 0.29 1.10 -0.75 4.32 4.93 2nz8B1 LYS 1495 HB2 0.01 -0.03 -0.02 -0.04 1.87 1.79 2nz8B1 LYS 1495 HB3 -0.05 0.01 -0.07 -0.04 1.79 1.64 2nz8B1 LYS 1495 HG2 -0.04 -0.04 -0.14 -0.04 1.46 1.19 2nz8B1 LYS 1495 HG3 0.00 0.06 -0.45 -0.04 1.46 1.03 2nz8B1 LYS 1495 HD2 -0.00 -0.03 -0.10 -0.04 1.69 1.51 2nz8B1 LYS 1495 HD3 -0.03 -0.00 -0.12 -0.04 1.68 1.49 2nz8B1 LYS 1495 HE2 -0.02 -0.02 -0.11 -0.04 2.99 2.79 2nz8B1 LYS 1495 HE3 -0.00 0.03 -0.14 -0.04 2.99 2.84 2nz8B1 PHE 1496 H -0.45 0.64 0.40 -0.55 8.34 8.39 2nz8B1 PHE 1496 HA -0.03 0.14 0.86 -0.75 4.62 4.83 2nz8B1 PHE 1496 HB2 -0.04 0.13 0.24 -0.04 3.15 3.44 2nz8B1 PHE 1496 HB3 -0.04 0.28 0.03 -0.04 3.06 3.29 2nz8B1 PHE 1496 HD2 -0.06 -0.01 -0.20 -0.04 7.28 6.97 2nz8B1 PHE 1496 HE2 -0.15 -0.03 -0.14 -0.04 7.38 7.02 2nz8B1 PHE 1496 HZ -0.74 -0.01 -0.15 -0.04 7.32 6.38 2nz8B1 ALA 1497 H 0.16 0.25 0.05 -0.55 8.40 8.31 2nz8B1 ALA 1497 HA -0.04 0.31 0.52 -0.75 4.34 4.38 2nz8B1 ALA 1497 HB3 0.03 -0.01 0.02 -0.04 1.41 1.40 2nz8B1 THR 1505 HA 0.01 -0.08 0.25 -0.75 4.39 3.82 2nz8B1 THR 1505 HB 0.01 -0.01 -0.04 -0.04 4.32 4.23 2nz8B1 THR 1505 HG23 0.01 -0.01 0.04 -0.04 1.22 1.22 2nz8B1 SER 1506 H 0.01 0.19 0.19 -0.55 8.46 8.30 2nz8B1 SER 1506 HA 0.01 0.13 0.76 -0.75 4.49 4.64 2nz8B1 SER 1506 HB2 0.01 0.03 0.21 -0.04 3.95 4.16 2nz8B1 SER 1506 HB3 0.02 0.11 0.79 -0.04 3.93 4.80 2nz8B1 ASP 1507 H 0.00 0.15 0.15 -0.55 8.40 8.15 2nz8B1 ASP 1507 HA 0.00 0.24 0.85 -0.75 4.63 4.97 2nz8B1 ASP 1507 HB2 -0.01 0.00 0.06 -0.04 2.71 2.72 2nz8B1 ASP 1507 HB3 -0.01 -0.14 0.18 -0.04 2.70 2.70 2nz8B1 ASN 1508 H -0.01 0.16 0.13 -0.55 8.53 8.27 2nz8B1 ASN 1508 HA -0.01 0.21 0.53 -0.75 4.76 4.73 2nz8B1 ASN 1508 HB2 -0.01 -0.00 0.02 -0.04 2.88 2.85 2nz8B1 ASN 1508 HB3 -0.01 0.05 0.07 -0.04 2.79 2.86 2nz8B1 ASN 1508 HD21 -0.00 0.02 -0.01 -0.04 7.03 7.00 2nz8B1 ASN 1508 HD22 -0.00 0.01 0.00 -0.04 7.74 7.70 2nz8B1 LYS 1509 H -0.02 -0.01 -0.32 -0.55 8.42 7.52 2nz8B1 LYS 1509 HA -0.03 0.07 0.18 -0.75 4.32 3.78 2nz8B1 LYS 1509 HB2 -0.03 0.00 -0.02 -0.04 1.87 1.78 2nz8B1 LYS 1509 HB3 -0.04 0.05 -0.00 -0.04 1.79 1.76 2nz8B1 LYS 1509 HG2 -0.02 0.04 0.00 -0.04 1.46 1.44 2nz8B1 LYS 1509 HG3 -0.02 -0.14 0.03 -0.04 1.46 1.29 2nz8B1 LYS 1509 HD2 -0.02 0.01 -0.02 -0.04 1.69 1.61 2nz8B1 LYS 1509 HD3 -0.03 0.04 -0.02 -0.04 1.68 1.64 2nz8B1 LYS 1509 HE2 -0.02 0.01 -0.01 -0.04 2.99 2.93 2nz8B1 LYS 1509 HE3 -0.01 -0.05 -0.01 -0.04 2.99 2.88 2nz8B1 ILE 1510 H -0.03 0.10 -0.40 -0.55 8.25 7.37 2nz8B1 ILE 1510 HA -0.07 0.11 0.50 -0.75 4.18 3.97 2nz8B1 ILE 1510 HB -0.02 -0.02 0.09 -0.04 1.89 1.90 2nz8B1 ILE 1510 HG12 -0.03 0.05 -0.08 -0.04 1.49 1.39 2nz8B1 ILE 1510 HG13 -0.03 -0.19 -0.10 -0.04 1.21 0.85 2nz8B1 ILE 1510 HG23 -0.02 0.02 -0.11 -0.04 0.93 0.78 2nz8B1 ILE 1510 HD13 0.00 0.04 -0.04 -0.04 0.88 0.84 2nz8B1 VAL 1511 H -0.09 0.25 0.19 -0.55 8.24 8.04 2nz8B1 VAL 1511 HA -0.12 0.24 0.96 -0.75 4.13 4.45 2nz8B1 VAL 1511 HB -0.07 0.01 0.08 -0.04 2.12 2.10 2nz8B1 VAL 1511 HG13 -0.08 -0.04 -0.19 -0.04 0.97 0.61 2nz8B1 VAL 1511 HG23 -0.05 0.02 -0.28 -0.04 0.95 0.59 2nz8B1 LEU 1512 H -0.37 0.69 0.32 -0.55 8.37 8.47 2nz8B1 LEU 1512 HA -0.30 0.08 0.87 -0.75 4.35 4.24 2nz8B1 LEU 1512 HB2 -1.42 0.04 0.03 -0.04 1.64 0.25 2nz8B1 LEU 1512 HB3 -1.35 -0.04 -0.08 -0.04 1.64 0.12 2nz8B1 LEU 1512 HG -0.24 0.02 -0.37 -0.04 1.64 1.01 2nz8B1 LEU 1512 HD13 -0.29 -0.02 -0.17 -0.04 0.93 0.41 2nz8B1 LEU 1512 HD23 -0.44 0.02 -0.07 -0.04 0.89 0.35 2nz8B1 LYS 1513 H -0.08 -0.07 0.19 -0.55 8.42 7.90 2nz8B1 LYS 1513 HA -0.07 0.39 1.19 -0.75 4.32 5.08 2nz8B1 LYS 1513 HB2 -0.06 0.00 -0.11 -0.04 1.87 1.66 2nz8B1 LYS 1513 HB3 -0.04 -0.16 0.12 -0.04 1.79 1.67 2nz8B1 LYS 1513 HG2 -0.02 0.11 -0.32 -0.04 1.46 1.20 2nz8B1 LYS 1513 HG3 -0.01 0.11 -0.18 -0.04 1.46 1.34 2nz8B1 LYS 1513 HD2 -0.03 -0.02 -0.09 -0.04 1.69 1.51 2nz8B1 LYS 1513 HD3 -0.03 -0.06 -0.08 -0.04 1.68 1.47 2nz8B1 LYS 1513 HE2 -0.02 -0.03 -0.06 -0.04 2.99 2.84 2nz8B1 LYS 1513 HE3 -0.02 0.04 -0.09 -0.04 2.99 2.87 2nz8B1 ALA 1514 H 0.17 0.46 0.21 -0.55 8.40 8.70 2nz8B1 ALA 1514 HA -0.22 0.19 0.80 -0.75 4.34 4.35 2nz8B1 ALA 1514 HB3 0.23 -0.03 0.01 -0.04 1.41 1.58 2nz8B1 SER 1515 H -0.15 0.09 0.17 -0.55 8.46 8.02 2nz8B1 SER 1515 HA -0.05 0.17 0.53 -0.75 4.49 4.38 2nz8B1 SER 1515 HB2 -0.06 0.03 0.06 -0.04 3.95 3.95 2nz8B1 SER 1515 HB3 -0.11 0.08 0.13 -0.04 3.93 3.98 2nz8B1 SER 1516 H -0.02 0.02 0.14 -0.55 8.46 8.05 2nz8B1 SER 1516 HA 0.00 0.31 0.90 -0.75 4.49 4.94 2nz8B1 SER 1516 HB2 0.01 -0.09 0.16 -0.04 3.95 3.99 2nz8B1 SER 1516 HB3 -0.01 0.15 0.05 -0.04 3.93 4.08 2nz8B1 ILE 1517 H 0.02 0.22 0.19 -0.55 8.25 8.12 2nz8B1 ILE 1517 HA 0.03 0.15 0.44 -0.75 4.18 4.04 2nz8B1 ILE 1517 HB 0.02 -0.00 0.08 -0.04 1.89 1.95 2nz8B1 ILE 1517 HG12 0.02 -0.07 0.17 -0.04 1.49 1.57 2nz8B1 ILE 1517 HG13 0.03 0.07 0.06 -0.04 1.21 1.32 2nz8B1 ILE 1517 HG23 0.02 0.03 -0.00 -0.04 0.93 0.94 2nz8B1 ILE 1517 HD13 0.04 0.02 0.00 -0.04 0.88 0.90 2nz8B1 GLU 1518 H 0.02 0.08 -0.04 -0.55 8.60 8.11 2nz8B1 GLU 1518 HA 0.02 0.13 0.42 -0.75 4.29 4.10 2nz8B1 GLU 1518 HB2 0.02 -0.04 0.07 -0.04 2.09 2.09 2nz8B1 GLU 1518 HB3 0.02 0.08 -0.01 -0.04 1.99 2.04 2nz8B1 GLU 1518 HG2 0.01 0.05 0.02 -0.04 2.34 2.38 2nz8B1 GLU 1518 HG3 0.01 -0.07 0.06 -0.04 2.34 2.30 2nz8B1 ASN 1519 H 0.04 0.02 -0.26 -0.55 8.53 7.79 2nz8B1 ASN 1519 HA 0.12 0.12 0.45 -0.75 4.76 4.70 2nz8B1 ASN 1519 HB2 0.03 -0.03 0.10 -0.04 2.88 2.94 2nz8B1 ASN 1519 HB3 0.10 0.08 0.04 -0.04 2.79 2.97 2nz8B1 ASN 1519 HD21 -0.02 0.06 0.05 -0.04 7.03 7.08 2nz8B1 ASN 1519 HD22 -0.03 0.05 0.07 -0.04 7.74 7.78 2nz8B1 LYS 1520 H 0.08 0.34 -0.22 -0.55 8.42 8.06 2nz8B1 LYS 1520 HA 0.10 0.03 0.45 -0.75 4.32 4.15 2nz8B1 LYS 1520 HB2 0.11 -0.01 0.07 -0.04 1.87 2.00 2nz8B1 LYS 1520 HB3 0.04 0.09 0.18 -0.04 1.79 2.06 2nz8B1 LYS 1520 HG2 -0.03 0.00 -0.00 -0.04 1.46 1.39 2nz8B1 LYS 1520 HG3 -0.07 0.02 -0.39 -0.04 1.46 0.98 2nz8B1 LYS 1520 HD2 -0.45 -0.08 -0.05 -0.04 1.69 1.06 2nz8B1 LYS 1520 HD3 0.06 0.04 -0.09 -0.04 1.68 1.65 2nz8B1 LYS 1520 HE2 -0.10 -0.05 -0.09 -0.04 2.99 2.70 2nz8B1 LYS 1520 HE3 -0.18 -0.06 -0.18 -0.04 2.99 2.54 2nz8B1 GLN 1521 H 0.03 0.38 -0.22 -0.55 8.47 8.11 2nz8B1 GLN 1521 HA -0.04 0.00 0.33 -0.75 4.36 3.89 2nz8B1 GLN 1521 HB2 0.01 0.16 0.17 -0.04 2.15 2.45 2nz8B1 GLN 1521 HB3 -0.02 -0.02 -0.04 -0.04 2.02 1.90 2nz8B1 GLN 1521 HG2 -0.03 -0.03 0.02 -0.04 2.40 2.32 2nz8B1 GLN 1521 HG3 -0.01 0.11 0.05 -0.04 2.39 2.50 2nz8B1 GLN 1521 HE21 -0.01 -0.00 -0.02 -0.04 6.97 6.90 2nz8B1 GLN 1521 HE22 -0.01 -0.00 -0.02 -0.04 7.69 7.61 2nz8B1 ASP 1522 H 0.09 0.32 -0.29 -0.55 8.40 7.98 2nz8B1 ASP 1522 HA 0.04 0.02 0.38 -0.75 4.63 4.31 2nz8B1 ASP 1522 HB2 0.19 0.19 0.19 -0.04 2.71 3.23 2nz8B1 ASP 1522 HB3 -0.00 0.01 -0.03 -0.04 2.70 2.63 2nz8B1 TRP 1523 H 0.44 0.37 -0.10 -0.55 7.97 8.14 2nz8B1 TRP 1523 HA 0.05 0.01 0.22 -0.75 4.62 4.14 2nz8B1 TRP 1523 HB2 -0.13 0.09 0.08 -0.04 3.23 3.23 2nz8B1 TRP 1523 HB3 -0.08 0.00 -0.07 -0.04 3.23 3.04 2nz8B1 TRP 1523 HD1 0.11 0.32 0.07 -0.04 7.22 7.69 2nz8B1 TRP 1523 HE1 0.02 -0.01 -0.11 -0.04 10.20 10.06 2nz8B1 TRP 1523 HE3 -0.05 -0.00 -0.11 -0.04 7.59 7.39 2nz8B1 TRP 1523 HZ2 -0.06 -0.05 -0.42 -0.04 7.44 6.86 2nz8B1 TRP 1523 HZ3 -0.11 0.01 -0.20 -0.04 7.13 6.79 2nz8B1 TRP 1523 HH2 -0.12 0.16 -0.36 -0.04 7.19 6.83 2nz8B1 ILE 1524 H -0.05 0.40 -0.18 -0.55 8.25 7.87 2nz8B1 ILE 1524 HA -0.08 0.01 0.38 -0.75 4.18 3.73 2nz8B1 ILE 1524 HB -0.10 0.10 0.09 -0.04 1.89 1.94 2nz8B1 ILE 1524 HG12 -0.39 0.18 0.03 -0.04 1.49 1.26 2nz8B1 ILE 1524 HG13 -0.22 -0.04 -0.06 -0.04 1.21 0.84 2nz8B1 ILE 1524 HG23 -0.07 -0.01 -0.14 -0.04 0.93 0.66 2nz8B1 ILE 1524 HD13 -0.34 -0.02 -0.03 -0.04 0.88 0.45 2nz8B1 LYS 1525 H -0.08 0.48 -0.10 -0.55 8.42 8.17 2nz8B1 LYS 1525 HA -0.10 -0.02 0.36 -0.75 4.32 3.80 2nz8B1 LYS 1525 HB2 -0.14 0.01 0.13 -0.04 1.87 1.83 2nz8B1 LYS 1525 HB3 -0.30 0.16 0.15 -0.04 1.79 1.76 2nz8B1 LYS 1525 HG2 -0.30 -0.01 -0.16 -0.04 1.46 0.95 2nz8B1 LYS 1525 HG3 -0.15 -0.04 0.02 -0.04 1.46 1.24 2nz8B1 LYS 1525 HD2 -0.17 -0.04 -0.03 -0.04 1.69 1.41 2nz8B1 LYS 1525 HD3 -0.18 -0.00 -0.03 -0.04 1.68 1.43 2nz8B1 LYS 1525 HE2 -0.76 0.06 -0.04 -0.04 2.99 2.21 2nz8B1 LYS 1525 HE3 -0.65 -0.00 -0.11 -0.04 2.99 2.19 2nz8B1 HIS 1526 H -0.06 0.53 -0.20 -0.55 8.41 8.13 2nz8B1 HIS 1526 HA -0.08 0.03 0.40 -0.75 4.63 4.21 2nz8B1 HIS 1526 HB2 -0.26 0.04 -0.03 -0.04 3.26 2.97 2nz8B1 HIS 1526 HB3 -0.22 -0.02 -0.09 -0.04 3.20 2.82 2nz8B1 HIS 1526 HD2 -0.12 -0.02 -0.03 -0.04 6.97 6.76 2nz8B1 HIS 1526 HE1 -0.12 -0.05 -0.03 -0.04 7.75 7.51 2nz8B1 ILE 1527 H 0.04 0.72 -0.01 -0.55 8.25 8.45 2nz8B1 ILE 1527 HA 0.06 0.09 0.54 -0.75 4.18 4.11 2nz8B1 ILE 1527 HB 0.07 0.07 0.10 -0.04 1.89 2.09 2nz8B1 ILE 1527 HG12 0.16 -0.01 -0.05 -0.04 1.49 1.56 2nz8B1 ILE 1527 HG13 0.16 0.03 0.00 -0.04 1.21 1.36 2nz8B1 ILE 1527 HG23 0.09 -0.01 -0.20 -0.04 0.93 0.77 2nz8B1 ILE 1527 HD13 0.26 -0.02 -0.13 -0.04 0.88 0.94 2nz8B1 ARG 1528 H 0.00 0.52 -0.10 -0.55 8.46 8.34 2nz8B1 ARG 1528 HA 0.01 0.01 0.36 -0.75 4.34 3.97 2nz8B1 ARG 1528 HB2 -0.03 0.17 0.10 -0.04 1.90 2.10 2nz8B1 ARG 1528 HB3 -0.02 -0.06 -0.01 -0.04 1.80 1.68 2nz8B1 ARG 1528 HG2 -0.00 -0.04 -0.00 -0.04 1.67 1.58 2nz8B1 ARG 1528 HG3 -0.00 0.04 0.04 -0.04 1.67 1.71 2nz8B1 ARG 1528 HD2 -0.04 0.05 -0.20 -0.04 3.22 2.98 2nz8B1 ARG 1528 HD3 -0.03 -0.03 -0.05 -0.04 3.22 3.07 2nz8B1 GLU 1529 H -0.02 0.32 -0.39 -0.55 8.60 7.97 2nz8B1 GLU 1529 HA -0.01 0.00 0.47 -0.75 4.29 4.00 2nz8B1 GLU 1529 HB2 -0.04 0.12 0.15 -0.04 2.09 2.28 2nz8B1 GLU 1529 HB3 0.02 0.20 0.09 -0.04 1.99 2.25 2nz8B1 GLU 1529 HG2 0.02 -0.01 -0.03 -0.04 2.34 2.29 2nz8B1 GLU 1529 HG3 0.00 -0.04 -0.03 -0.04 2.34 2.23 2nz8B1 VAL 1530 H 0.03 0.41 -0.26 -0.55 8.24 7.87 2nz8B1 VAL 1530 HA 0.03 0.04 0.85 -0.75 4.13 4.29 2nz8B1 VAL 1530 HB 0.06 0.25 0.31 -0.04 2.12 2.70 2nz8B1 VAL 1530 HG13 0.04 -0.06 0.02 -0.04 0.97 0.93 2nz8B1 VAL 1530 HG23 0.05 0.08 0.07 -0.04 0.95 1.11 2nz8B1 ILE 1531 H 0.03 0.24 -0.40 -0.55 8.25 7.58 2nz8B1 ILE 1531 HA 0.04 0.15 0.76 -0.75 4.18 4.38 2nz8B1 ILE 1531 HB 0.02 0.05 0.12 -0.04 1.89 2.05 2nz8B1 ILE 1531 HG12 0.06 -0.04 -0.14 -0.04 1.49 1.33 2nz8B1 ILE 1531 HG13 0.05 0.27 -0.17 -0.04 1.21 1.32 2nz8B1 ILE 1531 HG23 0.03 -0.01 -0.13 -0.04 0.93 0.78 2nz8B1 ILE 1531 HD13 0.04 -0.03 -0.20 -0.04 0.88 0.65 2nz8B1 GLN 1532 H 0.01 0.41 0.01 -0.55 8.47 8.36 2nz8B1 GLN 1532 HA 0.01 0.08 0.53 -0.75 4.36 4.23 2nz8B1 GLN 1532 HB2 0.00 0.04 0.13 -0.04 2.15 2.29 2nz8B1 GLN 1532 HB3 0.00 0.08 0.05 -0.04 2.02 2.11 2nz8B1 GLN 1532 HG2 0.00 -0.01 0.08 -0.04 2.40 2.43 2nz8B1 GLN 1532 HG3 0.00 -0.01 0.06 -0.04 2.39 2.40 2nz8B1 GLN 1532 HE21 -0.00 -0.03 0.00 -0.04 6.97 6.90 2nz8B1 GLN 1532 HE22 0.00 -0.00 0.01 -0.04 7.69 7.66 2nz8B1 GLU 1533 H 0.02 0.16 -0.27 -0.55 8.60 7.95 2nz8B1 GLU 1533 HA 0.01 0.07 0.48 -0.75 4.29 4.09 2nz8B1 GLU 1533 HB2 0.02 0.20 0.20 -0.04 2.09 2.46 2nz8B1 GLU 1533 HB3 0.03 0.05 0.08 -0.04 1.99 2.11 2nz8B1 GLU 1533 HG2 0.02 -0.03 0.00 -0.04 2.34 2.29 2nz8B1 GLU 1533 HG3 0.02 0.00 -0.05 -0.04 2.34 2.27 2nz8B1 ARG 1534 H 0.03 0.21 -0.42 -0.55 8.46 7.73 2nz8B1 ARG 1534 HA 0.02 0.09 0.56 -0.75 4.34 4.25 2nz8B1 ARG 1534 HB2 0.03 0.11 0.08 -0.04 1.90 2.07 2nz8B1 ARG 1534 HB3 0.02 -0.06 0.15 -0.04 1.80 1.87 2nz8B1 ARG 1534 HG2 0.05 0.29 0.17 -0.04 1.67 2.14 2nz8B1 ARG 1534 HG3 0.06 -0.07 0.16 -0.04 1.67 1.77 2nz8B1 ARG 1534 HD2 0.03 -0.06 -0.21 -0.04 3.22 2.94 2nz8B1 ARG 1534 HD3 0.05 -0.01 -0.08 -0.04 3.22 3.14 2nz8B1 THR 1535 H 0.01 0.14 -0.66 -0.55 8.28 7.22 2nz8B1 THR 1535 HA 0.01 0.19 0.71 -0.75 4.39 4.55 2nz8B1 THR 1535 HB 0.01 -0.07 0.05 -0.04 4.32 4.27 2nz8B1 THR 1535 HG23 0.02 0.01 -0.08 -0.04 1.22 1.13