============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 60 rings ring int. center anis. iso. PHE 1 1.000 16.107 -1.732 -13.092 -99.200 -91.000 TYR 12 0.840 8.724 0.593 6.473 -99.200 -91.000 TYR 13 0.840 3.770 -6.616 5.722 -99.200 -91.000 PHE 36 1.000 13.168 -16.961 6.293 -99.200 -91.000 HIS 43 0.900 1.582 -15.712 19.515 -99.200 -91.000 PHE 45 1.000 -0.802 -10.878 19.958 -99.200 -91.000 HIS 47 0.900 -4.935 -12.808 11.971 -99.200 -91.000 TYR 49 0.840 0.634 -22.564 11.991 -99.200 -91.000 TYR 50 0.840 8.335 -23.754 7.151 -99.200 -91.000 TYR 58 0.840 11.601 -29.257 7.987 -99.200 -91.000 TYR 66 0.840 15.765 -19.885 25.985 -99.200 -91.000 TYR 69 0.840 12.872 -11.155 22.915 -99.200 -91.000 TRP 74 1.040 13.093 -15.463 18.467 -99.200 -91.000 TRP6 74 1.020 14.255 -17.066 17.168 -99.200 -91.000 HIS 87 0.900 5.246 -9.184 -6.049 -99.200 -91.000 PHE 106 1.000 9.769 -12.948 16.990 -99.200 -91.000 PHE 107 1.000 5.326 -14.716 15.930 -99.200 -91.000 TRP 113 1.040 5.673 -7.953 11.199 -99.200 -91.000 TRP6 113 1.020 6.697 -9.043 13.031 -99.200 -91.000 TYR 121 0.840 27.633 -8.086 7.432 -99.200 -91.000 PHE 134 1.000 16.940 -15.217 1.866 -99.200 -91.000 PHE 135 1.000 21.731 -10.055 0.310 -99.200 -91.000 HIS 143 0.900 26.066 -16.820 -11.454 -99.200 -91.000 PHE 148 1.000 20.289 -5.468 2.361 -99.200 -91.000 PHE 157 1.000 -1.981 11.229 6.338 -99.200 -91.000 HIS 170 0.900 21.633 4.420 -10.659 -99.200 -91.000 TYR 173 0.840 20.430 7.332 -6.140 -99.200 -91.000 TRP 178 1.040 27.687 12.473 -0.439 -99.200 -91.000 TRP6 178 1.020 29.988 12.987 -0.278 -99.200 -91.000 TYR 179 0.840 28.196 4.220 -1.509 -99.200 -91.000 TRP 186 1.040 29.236 -5.805 15.093 -99.200 -91.000 TRP6 186 1.020 28.993 -5.819 17.449 -99.200 -91.000 TYR 187 0.840 24.075 -5.953 16.449 -99.200 -91.000 TYR 188 0.840 24.005 -4.715 7.264 -99.200 -91.000 TYR 209 0.840 28.051 12.987 18.866 -99.200 -91.000 TYR 211 0.840 28.722 4.820 26.734 -99.200 -91.000 PHE 230 1.000 16.109 10.867 25.053 -99.200 -91.000 PHE 246 1.000 4.995 20.323 21.986 -99.200 -91.000 PHE 250 1.000 6.230 15.355 22.000 -99.200 -91.000 TRP 251 1.040 9.354 17.068 25.591 -99.200 -91.000 TRP6 251 1.020 10.150 17.751 23.472 -99.200 -91.000 TRP 259 1.040 -0.223 21.181 17.126 -99.200 -91.000 TRP6 259 1.020 1.526 19.588 17.168 -99.200 -91.000 TRP 266 1.040 4.668 19.579 9.867 -99.200 -91.000 TRP6 266 1.020 5.085 17.537 10.985 -99.200 -91.000 PHE 269 1.000 7.718 20.218 17.148 -99.200 -91.000 TYR 275 0.840 27.588 17.238 10.076 -99.200 -91.000 PHE 285 1.000 27.732 10.172 4.406 -99.200 -91.000 TYR 294 0.840 12.450 15.532 15.087 -99.200 -91.000 TYR 299 0.840 2.074 14.621 13.646 -99.200 -91.000 PHE 301 1.000 11.315 13.469 20.868 -99.200 -91.000 PHE 320 1.000 18.007 10.791 4.878 -99.200 -91.000 TYR 321 0.840 17.944 3.390 -3.118 -99.200 -91.000 PHE 324 1.000 21.288 -1.468 4.866 -99.200 -91.000 PHE 333 1.000 22.620 6.482 5.327 -99.200 -91.000 HIS 339 0.900 12.541 14.472 0.301 -99.200 -91.000 HIS 341 0.900 9.874 17.741 0.199 -99.200 -91.000 PHE 344 1.000 9.447 28.706 4.292 -99.200 -91.000 PHE 353 1.000 29.154 19.413 5.506 -99.200 -91.000 TYR 360 0.840 32.569 3.145 24.613 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2ze1A1 PHE 61 HA 0.03 -0.01 0.16 -0.75 4.62 4.05 2ze1A1 PHE 61 HB2 0.02 0.03 0.05 -0.04 3.15 3.20 2ze1A1 PHE 61 HB3 0.02 -0.06 0.10 -0.04 3.06 3.08 2ze1A1 PHE 61 HD2 0.03 0.02 0.00 -0.04 7.28 7.29 2ze1A1 PHE 61 HE2 0.05 -0.01 -0.04 -0.04 7.38 7.33 2ze1A1 PHE 61 HZ 0.09 -0.01 -0.03 -0.04 7.32 7.33 2ze1A1 VAL 62 H -0.09 0.12 0.03 -0.55 8.24 7.75 2ze1A1 VAL 62 HA -0.15 0.49 2.74 -0.75 4.13 6.47 2ze1A1 VAL 62 HB -0.26 0.08 0.00 -0.04 2.12 1.90 2ze1A1 VAL 62 HG13 -1.25 0.03 -0.22 -0.04 0.97 -0.51 2ze1A1 VAL 62 HG23 -0.16 -0.10 0.00 -0.04 0.95 0.65 2ze1A1 GLU 63 H -0.03 0.47 0.11 -0.55 8.60 8.61 2ze1A1 GLU 63 HA 0.03 0.11 0.61 -0.75 4.29 4.29 2ze1A1 GLU 63 HB2 0.04 0.08 0.02 -0.04 2.09 2.18 2ze1A1 GLU 63 HB3 0.07 0.00 0.16 -0.04 1.99 2.18 2ze1A1 GLU 63 HG2 0.01 0.12 0.08 -0.04 2.34 2.51 2ze1A1 GLU 63 HG3 0.02 0.03 0.05 -0.04 2.34 2.40 2ze1A1 MET 64 H -0.07 -0.23 -0.64 -0.55 8.47 6.99 2ze1A1 MET 64 HA 0.02 0.46 0.68 -0.75 4.52 4.92 2ze1A1 MET 64 HB2 -0.07 -0.13 -0.08 -0.04 2.15 1.83 2ze1A1 MET 64 HB3 -0.00 0.19 0.14 -0.04 2.03 2.31 2ze1A1 MET 64 HG2 -0.01 0.11 -0.34 -0.04 2.63 2.35 2ze1A1 MET 64 HG3 -0.09 -0.04 -0.06 -0.04 2.56 2.33 2ze1A1 MET 64 HE3 -0.01 0.05 -0.10 -0.04 2.10 2.00 2ze1A1 VAL 65 H -0.05 0.17 -0.16 -0.55 8.24 7.66 2ze1A1 VAL 65 HA -0.03 -0.07 0.53 -0.75 4.13 3.81 2ze1A1 VAL 65 HB -0.03 0.13 0.10 -0.04 2.12 2.28 2ze1A1 VAL 65 HG13 -0.02 0.00 -0.15 -0.04 0.97 0.76 2ze1A1 VAL 65 HG23 -0.04 -0.03 -0.00 -0.04 0.95 0.83 2ze1A1 ASP 66 H -0.02 0.02 0.13 -0.55 8.40 7.98 2ze1A1 ASP 66 HA -0.03 0.08 0.38 -0.75 4.63 4.30 2ze1A1 ASP 66 HB2 -0.03 -0.11 -0.19 -0.04 2.71 2.34 2ze1A1 ASP 66 HB3 -0.06 0.17 0.16 -0.04 2.70 2.93 2ze1A1 ASN 67 H -0.03 0.12 -0.01 -0.55 8.53 8.06 2ze1A1 ASN 67 HA -0.11 0.16 0.69 -0.75 4.76 4.74 2ze1A1 ASN 67 HB2 0.03 -0.09 0.29 -0.04 2.88 3.07 2ze1A1 ASN 67 HB3 0.00 0.11 0.12 -0.04 2.79 2.98 2ze1A1 ASN 67 HD21 0.01 0.11 0.30 -0.04 7.03 7.41 2ze1A1 ASN 67 HD22 0.04 0.52 0.32 -0.04 7.74 8.58 2ze1A1 LEU 68 H -0.05 0.46 -0.11 -0.55 8.37 8.13 2ze1A1 LEU 68 HA -0.10 0.39 1.03 -0.75 4.35 4.91 2ze1A1 LEU 68 HB2 -0.02 -0.09 -0.35 -0.04 1.64 1.15 2ze1A1 LEU 68 HB3 0.07 -0.01 -0.25 -0.04 1.64 1.41 2ze1A1 LEU 68 HG 0.00 0.00 -0.29 -0.04 1.64 1.31 2ze1A1 LEU 68 HD13 -0.04 0.00 -0.29 -0.04 0.93 0.56 2ze1A1 LEU 68 HD23 -0.08 -0.05 -0.39 -0.04 0.89 0.33 2ze1A1 ARG 69 H -0.44 0.55 0.23 -0.55 8.46 8.25 2ze1A1 ARG 69 HA -0.17 0.36 0.70 -0.75 4.34 4.48 2ze1A1 ARG 69 HB2 -0.66 -0.03 0.01 -0.04 1.90 1.18 2ze1A1 ARG 69 HB3 -0.32 0.02 0.12 -0.04 1.80 1.58 2ze1A1 ARG 69 HG2 -0.14 0.06 -0.26 -0.04 1.67 1.30 2ze1A1 ARG 69 HG3 -0.07 -0.06 -0.02 -0.04 1.67 1.47 2ze1A1 ARG 69 HD2 -0.06 -0.04 0.09 -0.04 3.22 3.17 2ze1A1 ARG 69 HD3 -0.09 0.21 0.34 -0.04 3.22 3.65 2ze1A1 GLN 74 HA 0.07 -0.08 0.16 -0.75 4.36 3.74 2ze1A1 GLN 74 HB2 0.02 0.02 0.04 -0.04 2.15 2.18 2ze1A1 GLN 74 HB3 0.10 0.10 -0.08 -0.04 2.02 2.10 2ze1A1 GLN 74 HG2 -0.02 -0.11 0.01 -0.04 2.40 2.24 2ze1A1 GLN 74 HG3 0.03 -0.04 0.04 -0.04 2.39 2.37 2ze1A1 GLN 74 HE21 -0.06 0.02 -0.13 -0.04 6.97 6.75 2ze1A1 GLN 74 HE22 -0.04 0.08 -0.14 -0.04 7.69 7.55 2ze1A1 GLY 75 H -0.05 0.16 0.10 -0.55 8.43 8.09 2ze1A1 GLY 75 HA2 0.01 -0.05 0.32 -0.51 4.01 3.78 2ze1A1 GLY 75 HA3 0.05 0.13 0.73 -0.51 4.01 4.41 2ze1A1 TYR 76 H 0.14 0.14 0.15 -0.55 8.29 8.17 2ze1A1 TYR 76 HA -0.04 0.37 0.86 -0.75 4.56 5.00 2ze1A1 TYR 76 HB2 -0.06 -0.03 0.13 -0.04 3.06 3.05 2ze1A1 TYR 76 HB3 -0.08 -0.00 -0.08 -0.04 2.98 2.77 2ze1A1 TYR 76 HD2 -0.04 0.02 -0.13 -0.04 7.15 6.96 2ze1A1 TYR 76 HE2 -0.01 0.06 -0.05 -0.04 6.85 6.81 2ze1A1 TYR 77 H -0.26 0.81 0.21 -0.55 8.29 8.50 2ze1A1 TYR 77 HA -0.06 0.13 1.01 -0.75 4.56 4.88 2ze1A1 TYR 77 HB2 0.05 -0.11 -0.30 -0.04 3.06 2.67 2ze1A1 TYR 77 HB3 -0.01 -0.03 -0.41 -0.04 2.98 2.49 2ze1A1 TYR 77 HD2 0.14 -0.00 -0.26 -0.04 7.15 6.99 2ze1A1 TYR 77 HE2 0.07 0.03 -0.04 -0.04 6.85 6.87 2ze1A1 VAL 78 H 0.10 0.62 0.30 -0.55 8.24 8.71 2ze1A1 VAL 78 HA 0.02 0.35 0.96 -0.75 4.13 4.70 2ze1A1 VAL 78 HB -0.02 -0.08 -0.04 -0.04 2.12 1.93 2ze1A1 VAL 78 HG13 -0.04 0.01 -0.11 -0.04 0.97 0.78 2ze1A1 VAL 78 HG23 0.01 0.10 0.09 -0.04 0.95 1.10 2ze1A1 GLU 79 H 0.09 0.26 0.22 -0.55 8.60 8.62 2ze1A1 GLU 79 HA 0.13 0.18 0.90 -0.75 4.29 4.74 2ze1A1 GLU 79 HB2 0.14 0.02 0.12 -0.04 2.09 2.33 2ze1A1 GLU 79 HB3 0.17 -0.05 0.17 -0.04 1.99 2.23 2ze1A1 GLU 79 HG2 0.08 -0.00 -0.14 -0.04 2.34 2.23 2ze1A1 GLU 79 HG3 0.10 0.03 0.03 -0.04 2.34 2.46 2ze1A1 MET 80 H 0.06 0.68 0.44 -0.55 8.47 9.11 2ze1A1 MET 80 HA -0.01 0.18 0.88 -0.75 4.52 4.82 2ze1A1 MET 80 HB2 0.04 -0.08 -0.06 -0.04 2.15 2.01 2ze1A1 MET 80 HB3 -0.08 0.09 0.13 -0.04 2.03 2.14 2ze1A1 MET 80 HG2 -0.11 0.06 -0.13 -0.04 2.63 2.41 2ze1A1 MET 80 HG3 -0.01 -0.00 -0.52 -0.04 2.56 1.99 2ze1A1 MET 80 HE3 -0.87 0.01 -0.14 -0.04 2.10 1.06 2ze1A1 THR 81 H -0.01 0.64 0.34 -0.55 8.28 8.69 2ze1A1 THR 81 HA 0.03 0.33 0.69 -0.75 4.39 4.68 2ze1A1 THR 81 HB 0.02 -0.08 -0.14 -0.04 4.32 4.08 2ze1A1 THR 81 HG23 0.01 -0.01 -0.29 -0.04 1.22 0.90 2ze1A1 VAL 82 H 0.03 0.43 0.23 -0.55 8.24 8.38 2ze1A1 VAL 82 HA 0.01 0.31 0.96 -0.75 4.13 4.66 2ze1A1 VAL 82 HB -0.17 0.01 0.02 -0.04 2.12 1.93 2ze1A1 VAL 82 HG13 -0.51 -0.01 -0.19 -0.04 0.97 0.22 2ze1A1 VAL 82 HG23 0.05 -0.01 -0.30 -0.04 0.95 0.66 2ze1A1 GLY 83 H 0.07 0.45 0.19 -0.55 8.43 8.60 2ze1A1 GLY 83 HA2 0.16 -0.12 0.31 -0.51 4.01 3.85 2ze1A1 GLY 83 HA3 0.19 0.17 0.47 -0.51 4.01 4.33 2ze1A1 SER 84 H 0.10 0.03 0.16 -0.55 8.46 8.21 2ze1A1 SER 84 HA 0.05 0.08 0.53 -0.75 4.49 4.39 2ze1A1 SER 84 HB2 0.06 -0.19 0.15 -0.04 3.95 3.93 2ze1A1 SER 84 HB3 0.04 0.08 0.04 -0.04 3.93 4.04 2ze1A1 PRO 85 HA 0.03 0.05 0.33 -0.51 4.44 4.34 2ze1A1 PRO 85 HB2 0.02 0.08 -0.09 -0.04 2.28 2.25 2ze1A1 PRO 85 HB3 0.02 0.01 0.09 -0.04 2.02 2.10 2ze1A1 PRO 85 HG2 0.01 0.03 0.10 -0.04 2.03 2.13 2ze1A1 PRO 85 HG3 0.02 -0.01 0.09 -0.04 2.03 2.09 2ze1A1 PRO 85 HD2 0.03 0.20 0.36 -0.04 3.68 4.22 2ze1A1 PRO 85 HD3 0.03 0.09 0.33 -0.04 3.65 4.06 2ze1A1 PRO 86 HA 0.04 0.19 0.14 -0.51 4.44 4.30 2ze1A1 PRO 86 HB2 0.02 -0.01 -0.00 -0.04 2.28 2.24 2ze1A1 PRO 86 HB3 0.02 0.01 -0.06 -0.04 2.02 1.95 2ze1A1 PRO 86 HG2 0.01 0.03 0.03 -0.04 2.03 2.06 2ze1A1 PRO 86 HG3 0.02 0.07 0.02 -0.04 2.03 2.10 2ze1A1 PRO 86 HD2 0.02 0.10 0.13 -0.04 3.68 3.89 2ze1A1 PRO 86 HD3 0.02 0.05 0.18 -0.04 3.65 3.86 2ze1A1 GLN 87 H 0.06 0.44 0.16 -0.55 8.47 8.58 2ze1A1 GLN 87 HA 0.03 0.12 0.86 -0.75 4.36 4.62 2ze1A1 GLN 87 HB2 0.11 0.03 0.25 -0.04 2.15 2.50 2ze1A1 GLN 87 HB3 0.07 -0.01 0.01 -0.04 2.02 2.05 2ze1A1 GLN 87 HG2 0.04 -0.00 -0.08 -0.04 2.40 2.32 2ze1A1 GLN 87 HG3 0.09 0.20 -0.03 -0.04 2.39 2.61 2ze1A1 GLN 87 HE21 0.01 0.36 0.00 -0.04 6.97 7.30 2ze1A1 GLN 87 HE22 0.08 0.09 -0.22 -0.04 7.69 7.60 2ze1A1 THR 88 H 0.02 0.17 0.09 -0.55 8.28 8.02 2ze1A1 THR 88 HA 0.03 0.17 0.52 -0.75 4.39 4.36 2ze1A1 THR 88 HB 0.03 -0.03 0.11 -0.04 4.32 4.38 2ze1A1 THR 88 HG23 0.05 -0.00 -0.12 -0.04 1.22 1.11 2ze1A1 LEU 89 H 0.05 0.71 0.41 -0.55 8.37 9.00 2ze1A1 LEU 89 HA 0.04 0.10 0.67 -0.75 4.35 4.40 2ze1A1 LEU 89 HB2 0.05 -0.00 -0.11 -0.04 1.64 1.54 2ze1A1 LEU 89 HB3 0.05 -0.06 -0.11 -0.04 1.64 1.49 2ze1A1 LEU 89 HG 0.04 0.12 -0.59 -0.04 1.64 1.17 2ze1A1 LEU 89 HD13 0.03 -0.03 -0.19 -0.04 0.93 0.70 2ze1A1 LEU 89 HD23 0.04 0.02 -0.20 -0.04 0.89 0.71 2ze1A1 ASN 90 H 0.03 0.13 0.14 -0.55 8.53 8.29 2ze1A1 ASN 90 HA 0.15 0.26 0.95 -0.75 4.76 5.37 2ze1A1 ASN 90 HB2 -0.10 -0.02 0.29 -0.04 2.88 3.01 2ze1A1 ASN 90 HB3 -0.29 0.04 0.05 -0.04 2.79 2.54 2ze1A1 ASN 90 HD21 0.12 -0.05 -0.02 -0.04 7.03 7.04 2ze1A1 ASN 90 HD22 -0.20 0.36 0.13 -0.04 7.74 7.98 2ze1A1 ILE 91 H 0.17 0.79 0.26 -0.55 8.25 8.92 2ze1A1 ILE 91 HA 0.09 0.11 0.92 -0.75 4.18 4.54 2ze1A1 ILE 91 HB 0.05 0.06 -0.03 -0.04 1.89 1.93 2ze1A1 ILE 91 HG12 0.09 0.02 -0.53 -0.04 1.49 1.03 2ze1A1 ILE 91 HG13 0.17 0.02 -0.26 -0.04 1.21 1.10 2ze1A1 ILE 91 HG23 0.08 -0.00 -0.50 -0.04 0.93 0.47 2ze1A1 ILE 91 HD13 0.04 0.01 -0.35 -0.04 0.88 0.54 2ze1A1 LEU 92 H -0.29 0.59 0.31 -0.55 8.37 8.43 2ze1A1 LEU 92 HA -0.27 0.21 0.50 -0.75 4.35 4.04 2ze1A1 LEU 92 HB2 -1.85 0.05 0.11 -0.04 1.64 -0.10 2ze1A1 LEU 92 HB3 -0.79 -0.14 0.17 -0.04 1.64 0.84 2ze1A1 LEU 92 HG -0.39 0.04 -0.30 -0.04 1.64 0.96 2ze1A1 LEU 92 HD13 -0.53 0.07 -0.05 -0.04 0.93 0.39 2ze1A1 LEU 92 HD23 -0.75 -0.02 -0.07 -0.04 0.89 0.00 2ze1A1 VAL 93 H -0.11 0.79 0.41 -0.55 8.24 8.78 2ze1A1 VAL 93 HA -0.15 0.09 0.72 -0.75 4.13 4.04 2ze1A1 VAL 93 HB -0.07 0.04 0.13 -0.04 2.12 2.18 2ze1A1 VAL 93 HG13 -0.18 -0.04 -0.15 -0.04 0.97 0.56 2ze1A1 VAL 93 HG23 -0.09 0.01 -0.07 -0.04 0.95 0.76 2ze1A1 ASP 94 H -0.14 0.67 0.20 -0.55 8.40 8.58 2ze1A1 ASP 94 HA -0.10 0.07 0.99 -0.75 4.63 4.84 2ze1A1 ASP 94 HB2 -0.18 0.11 -0.28 -0.04 2.71 2.32 2ze1A1 ASP 94 HB3 -0.10 0.05 -0.11 -0.04 2.70 2.50 2ze1A1 THR 95 H -0.07 0.09 0.14 -0.55 8.28 7.89 2ze1A1 THR 95 HA 0.01 0.13 0.60 -0.75 4.39 4.37 2ze1A1 THR 95 HB -0.09 0.11 0.15 -0.04 4.32 4.45 2ze1A1 THR 95 HG23 -0.50 0.03 -0.05 -0.04 1.22 0.67 2ze1A1 GLY 96 H 0.03 -0.02 -0.32 -0.55 8.43 7.57 2ze1A1 GLY 96 HA2 0.19 0.19 0.73 -0.51 4.01 4.62 2ze1A1 GLY 96 HA3 0.10 -0.00 0.24 -0.51 4.01 3.84 2ze1A1 SER 97 H 0.02 0.26 -0.17 -0.55 8.46 8.01 2ze1A1 SER 97 HA -0.04 0.22 0.35 -0.75 4.49 4.25 2ze1A1 SER 97 HB2 0.07 -0.08 0.11 -0.04 3.95 4.01 2ze1A1 SER 97 HB3 0.05 0.15 -0.09 -0.04 3.93 3.99 2ze1A1 SER 98 H 0.04 0.13 0.03 -0.55 8.46 8.11 2ze1A1 SER 98 HA 0.02 0.20 0.62 -0.75 4.49 4.58 2ze1A1 SER 98 HB2 0.03 -0.02 -0.36 -0.04 3.95 3.56 2ze1A1 SER 98 HB3 0.03 0.07 -0.30 -0.04 3.93 3.70 2ze1A1 ASN 99 H 0.10 -0.01 0.07 -0.55 8.53 8.15 2ze1A1 ASN 99 HA 0.15 0.27 0.93 -0.75 4.76 5.36 2ze1A1 ASN 99 HB2 0.23 -0.05 0.03 -0.04 2.88 3.05 2ze1A1 ASN 99 HB3 0.18 0.06 -0.16 -0.04 2.79 2.82 2ze1A1 ASN 99 HD21 0.19 0.45 0.09 -0.04 7.03 7.72 2ze1A1 ASN 99 HD22 0.24 -0.02 -0.04 -0.04 7.74 7.88 2ze1A1 PHE 100 H 0.24 0.26 0.13 -0.55 8.34 8.41 2ze1A1 PHE 100 HA -0.06 0.28 1.01 -0.75 4.62 5.10 2ze1A1 PHE 100 HB2 0.03 -0.09 0.17 -0.04 3.15 3.22 2ze1A1 PHE 100 HB3 0.05 0.22 0.29 -0.04 3.06 3.58 2ze1A1 PHE 100 HD2 -0.08 0.14 0.05 -0.04 7.28 7.34 2ze1A1 PHE 100 HE2 -0.16 -0.02 -0.21 -0.04 7.38 6.95 2ze1A1 PHE 100 HZ -0.17 0.00 -0.21 -0.04 7.32 6.90 2ze1A1 ALA 101 H -0.27 0.63 0.18 -0.55 8.40 8.40 2ze1A1 ALA 101 HA -0.35 0.19 1.00 -0.75 4.34 4.43 2ze1A1 ALA 101 HB3 -0.75 -0.01 -0.07 -0.04 1.41 0.54 2ze1A1 VAL 102 H -0.25 0.65 0.29 -0.55 8.24 8.39 2ze1A1 VAL 102 HA -0.05 0.12 1.14 -0.75 4.13 4.58 2ze1A1 VAL 102 HB -0.07 0.08 -0.01 -0.04 2.12 2.08 2ze1A1 VAL 102 HG13 -0.68 -0.02 -0.35 -0.04 0.97 -0.12 2ze1A1 VAL 102 HG23 -0.11 0.01 -0.19 -0.04 0.95 0.62 2ze1A1 GLY 103 H 0.20 0.77 0.43 -0.55 8.43 9.28 2ze1A1 GLY 103 HA2 0.23 0.02 0.64 -0.51 4.01 4.39 2ze1A1 GLY 103 HA3 0.02 0.08 0.47 -0.51 4.01 4.07 2ze1A1 ALA 104 H 0.04 0.62 0.38 -0.55 8.40 8.89 2ze1A1 ALA 104 HA 0.22 0.22 0.80 -0.75 4.34 4.83 2ze1A1 ALA 104 HB3 0.07 -0.04 -0.05 -0.04 1.41 1.35 2ze1A1 ALA 105 H -0.26 0.25 0.20 -0.55 8.40 8.04 2ze1A1 ALA 105 HA -0.48 0.07 0.52 -0.75 4.34 3.70 2ze1A1 ALA 105 HB3 -0.11 0.02 0.13 -0.04 1.41 1.41 2ze1A1 PRO 106 HA -0.37 0.05 0.29 -0.51 4.44 3.90 2ze1A1 PRO 106 HB2 -0.10 0.00 -0.03 -0.04 2.28 2.11 2ze1A1 PRO 106 HB3 -0.03 0.06 0.03 -0.04 2.02 2.04 2ze1A1 PRO 106 HG2 -0.06 0.02 0.05 -0.04 2.03 2.01 2ze1A1 PRO 106 HG3 -0.04 0.04 0.02 -0.04 2.03 2.02 2ze1A1 PRO 106 HD2 -0.19 0.11 0.19 -0.04 3.68 3.75 2ze1A1 PRO 106 HD3 -0.37 0.11 0.18 -0.04 3.65 3.53 2ze1A1 HIS 107 H -0.06 0.36 0.20 -0.55 8.41 8.38 2ze1A1 HIS 107 HA -0.12 0.18 0.63 -0.75 4.63 4.56 2ze1A1 HIS 107 HB2 -0.14 0.18 -0.15 -0.04 3.26 3.11 2ze1A1 HIS 107 HB3 -0.26 -0.12 0.05 -0.04 3.20 2.82 2ze1A1 HIS 107 HD2 0.09 0.08 0.06 -0.04 6.97 7.15 2ze1A1 HIS 107 HE1 -0.18 0.04 -0.00 -0.04 7.75 7.56 2ze1A1 PRO 108 HA -0.15 0.11 0.44 -0.51 4.44 4.34 2ze1A1 PRO 108 HB2 -0.63 0.04 -0.01 -0.04 2.28 1.64 2ze1A1 PRO 108 HB3 -0.31 0.05 0.12 -0.04 2.02 1.83 2ze1A1 PRO 108 HG2 -1.19 -0.03 0.11 -0.04 2.03 0.88 2ze1A1 PRO 108 HG3 -0.58 0.07 0.10 -0.04 2.03 1.58 2ze1A1 PRO 108 HD2 -1.31 0.12 0.26 -0.04 3.68 2.70 2ze1A1 PRO 108 HD3 -0.43 0.16 0.13 -0.04 3.65 3.47 2ze1A1 PHE 109 H 0.05 0.04 -0.26 -0.55 8.34 7.62 2ze1A1 PHE 109 HA -0.12 0.13 0.44 -0.75 4.62 4.31 2ze1A1 PHE 109 HB2 0.07 -0.03 -0.16 -0.04 3.15 2.99 2ze1A1 PHE 109 HB3 -0.15 0.06 -0.17 -0.04 3.06 2.76 2ze1A1 PHE 109 HD2 0.08 0.07 -0.20 -0.04 7.28 7.19 2ze1A1 PHE 109 HE2 0.06 0.03 -0.01 -0.04 7.38 7.41 2ze1A1 PHE 109 HZ 0.03 0.03 0.01 -0.04 7.32 7.34 2ze1A1 LEU 110 H -0.02 0.28 -0.38 -0.55 8.37 7.70 2ze1A1 LEU 110 HA -0.29 0.10 0.86 -0.75 4.35 4.27 2ze1A1 LEU 110 HB2 -0.12 -0.08 0.15 -0.04 1.64 1.55 2ze1A1 LEU 110 HB3 -0.12 0.18 0.01 -0.04 1.64 1.66 2ze1A1 LEU 110 HG -0.73 -0.16 -0.05 -0.04 1.64 0.66 2ze1A1 LEU 110 HD13 -0.58 0.05 0.04 -0.04 0.93 0.39 2ze1A1 LEU 110 HD23 -0.89 0.02 0.03 -0.04 0.89 0.01 2ze1A1 HIS 111 H -0.17 0.13 0.18 -0.55 8.41 8.01 2ze1A1 HIS 111 HA -0.00 0.20 0.80 -0.75 4.63 4.87 2ze1A1 HIS 111 HB2 -0.04 -0.01 0.06 -0.04 3.26 3.23 2ze1A1 HIS 111 HB3 -0.02 -0.00 0.10 -0.04 3.20 3.24 2ze1A1 HIS 111 HD2 -0.00 0.12 -0.21 -0.04 6.97 6.82 2ze1A1 HIS 111 HE1 -0.03 -0.03 0.01 -0.04 7.75 7.66 2ze1A1 ARG 112 H 0.02 0.15 0.08 -0.55 8.46 8.16 2ze1A1 ARG 112 HA -0.02 0.12 0.36 -0.75 4.34 4.04 2ze1A1 ARG 112 HB2 -0.03 0.06 0.01 -0.04 1.90 1.90 2ze1A1 ARG 112 HB3 -0.03 0.09 0.12 -0.04 1.80 1.94 2ze1A1 ARG 112 HG2 0.02 0.05 -0.22 -0.04 1.67 1.48 2ze1A1 ARG 112 HG3 0.01 -0.17 -0.08 -0.04 1.67 1.39 2ze1A1 ARG 112 HD2 -0.00 -0.10 -0.05 -0.04 3.22 3.03 2ze1A1 ARG 112 HD3 0.01 0.07 -0.05 -0.04 3.22 3.20 2ze1A1 TYR 113 H -0.25 0.29 0.09 -0.55 8.29 7.88 2ze1A1 TYR 113 HA -0.01 0.10 0.45 -0.75 4.56 4.35 2ze1A1 TYR 113 HB2 -0.01 0.09 -0.39 -0.04 3.06 2.71 2ze1A1 TYR 113 HB3 -0.07 0.08 -0.27 -0.04 2.98 2.67 2ze1A1 TYR 113 HD2 -0.04 0.15 -0.53 -0.04 7.15 6.69 2ze1A1 TYR 113 HE2 -0.04 0.02 -0.20 -0.04 6.85 6.59 2ze1A1 TYR 114 H 0.29 0.74 0.24 -0.55 8.29 9.00 2ze1A1 TYR 114 HA -0.01 0.05 0.51 -0.75 4.56 4.36 2ze1A1 TYR 114 HB2 0.02 0.00 -0.01 -0.04 3.06 3.03 2ze1A1 TYR 114 HB3 0.03 0.09 0.08 -0.04 2.98 3.14 2ze1A1 TYR 114 HD2 -0.00 0.03 -0.13 -0.04 7.15 7.01 2ze1A1 TYR 114 HE2 0.04 0.02 -0.22 -0.04 6.85 6.64 2ze1A1 GLN 115 H -0.04 0.25 0.08 -0.55 8.47 8.22 2ze1A1 GLN 115 HA -0.16 0.19 0.89 -0.75 4.36 4.53 2ze1A1 GLN 115 HB2 -0.12 0.02 0.15 -0.04 2.15 2.16 2ze1A1 GLN 115 HB3 -0.11 -0.06 0.04 -0.04 2.02 1.85 2ze1A1 GLN 115 HG2 -0.19 0.07 -0.31 -0.04 2.40 1.94 2ze1A1 GLN 115 HG3 -0.34 0.18 -0.18 -0.04 2.39 2.02 2ze1A1 GLN 115 HE21 -0.20 -0.01 -0.03 -0.04 6.97 6.69 2ze1A1 GLN 115 HE22 -0.32 0.06 -0.02 -0.04 7.69 7.37 2ze1A1 ARG 116 H -0.53 0.29 0.03 -0.55 8.46 7.69 2ze1A1 ARG 116 HA -0.73 0.07 0.33 -0.75 4.34 3.26 2ze1A1 ARG 116 HB2 -0.57 0.00 0.07 -0.04 1.90 1.37 2ze1A1 ARG 116 HB3 -1.41 0.04 -0.02 -0.04 1.80 0.37 2ze1A1 ARG 116 HG2 -1.00 0.01 -0.06 -0.04 1.67 0.58 2ze1A1 ARG 116 HG3 -1.04 0.01 -0.06 -0.04 1.67 0.54 2ze1A1 ARG 116 HD2 -0.60 -0.02 -0.04 -0.04 3.22 2.52 2ze1A1 ARG 116 HD3 -0.17 0.02 -0.05 -0.04 3.22 2.98 2ze1A1 GLN 117 H -0.20 0.07 -0.18 -0.55 8.47 7.61 2ze1A1 GLN 117 HA -0.05 0.12 0.36 -0.75 4.36 4.04 2ze1A1 GLN 117 HB2 -0.05 0.05 -0.12 -0.04 2.15 1.99 2ze1A1 GLN 117 HB3 -0.03 0.03 0.07 -0.04 2.02 2.05 2ze1A1 GLN 117 HG2 -0.04 0.04 0.01 -0.04 2.40 2.37 2ze1A1 GLN 117 HG3 -0.09 -0.03 0.05 -0.04 2.39 2.27 2ze1A1 GLN 117 HE21 -0.04 0.03 -0.03 -0.04 6.97 6.89 2ze1A1 GLN 117 HE22 -0.04 0.04 -0.05 -0.04 7.69 7.60 2ze1A1 LEU 118 H -0.10 0.20 -0.43 -0.55 8.37 7.49 2ze1A1 LEU 118 HA -0.01 0.10 0.60 -0.75 4.35 4.29 2ze1A1 LEU 118 HB2 -0.05 0.15 0.07 -0.04 1.64 1.77 2ze1A1 LEU 118 HB3 -0.01 0.03 0.08 -0.04 1.64 1.70 2ze1A1 LEU 118 HG -0.03 0.01 0.01 -0.04 1.64 1.59 2ze1A1 LEU 118 HD13 -0.06 -0.04 -0.09 -0.04 0.93 0.70 2ze1A1 LEU 118 HD23 -0.05 0.00 0.01 -0.04 0.89 0.81 2ze1A1 SER 119 H -0.02 0.36 -0.37 -0.55 8.46 7.88 2ze1A1 SER 119 HA 0.08 0.33 0.97 -0.75 4.49 5.12 2ze1A1 SER 119 HB2 0.18 0.07 0.04 -0.04 3.95 4.20 2ze1A1 SER 119 HB3 0.15 0.14 0.22 -0.04 3.93 4.40 2ze1A1 SER 120 H 0.07 0.70 0.38 -0.55 8.46 9.06 2ze1A1 SER 120 HA 0.06 0.13 0.51 -0.75 4.49 4.43 2ze1A1 SER 120 HB2 0.04 -0.02 0.12 -0.04 3.95 4.04 2ze1A1 SER 120 HB3 0.04 0.10 0.14 -0.04 3.93 4.17 2ze1A1 THR 121 H 0.11 -0.05 -0.12 -0.55 8.28 7.66 2ze1A1 THR 121 HA 0.06 0.26 0.71 -0.75 4.39 4.67 2ze1A1 THR 121 HB 0.06 0.00 0.11 -0.04 4.32 4.46 2ze1A1 THR 121 HG23 0.04 0.01 -0.10 -0.04 1.22 1.14 2ze1A1 TYR 122 H 0.22 0.25 -0.38 -0.55 8.29 7.83 2ze1A1 TYR 122 HA 0.11 0.15 0.75 -0.75 4.56 4.82 2ze1A1 TYR 122 HB2 0.13 -0.11 0.13 -0.04 3.06 3.16 2ze1A1 TYR 122 HB3 0.05 0.23 0.13 -0.04 2.98 3.36 2ze1A1 TYR 122 HD2 0.13 0.04 -0.10 -0.04 7.15 7.17 2ze1A1 TYR 122 HE2 0.09 -0.04 -0.09 -0.04 6.85 6.77 2ze1A1 ARG 123 H -0.40 0.59 0.37 -0.55 8.46 8.47 2ze1A1 ARG 123 HA -0.33 0.13 0.79 -0.75 4.34 4.17 2ze1A1 ARG 123 HB2 -0.14 -0.05 0.11 -0.04 1.90 1.78 2ze1A1 ARG 123 HB3 -0.14 0.05 0.01 -0.04 1.80 1.69 2ze1A1 ARG 123 HG2 -0.07 0.03 -0.03 -0.04 1.67 1.56 2ze1A1 ARG 123 HG3 -0.06 0.08 -0.44 -0.04 1.67 1.21 2ze1A1 ARG 123 HD2 -0.04 -0.04 -0.07 -0.04 3.22 3.04 2ze1A1 ARG 123 HD3 -0.04 -0.02 -0.04 -0.04 3.22 3.09 2ze1A1 ASP 124 H -0.31 0.16 0.12 -0.55 8.40 7.83 2ze1A1 ASP 124 HA -0.14 0.10 0.78 -0.75 4.63 4.62 2ze1A1 ASP 124 HB2 0.06 0.04 0.13 -0.04 2.71 2.89 2ze1A1 ASP 124 HB3 -0.01 0.03 0.12 -0.04 2.70 2.80 2ze1A1 LEU 125 H 0.03 0.54 0.40 -0.55 8.37 8.80 2ze1A1 LEU 125 HA -0.00 0.20 0.79 -0.75 4.35 4.58 2ze1A1 LEU 125 HB2 0.06 0.11 -0.20 -0.04 1.64 1.57 2ze1A1 LEU 125 HB3 0.04 -0.00 -0.01 -0.04 1.64 1.62 2ze1A1 LEU 125 HG 0.01 -0.05 -0.27 -0.04 1.64 1.29 2ze1A1 LEU 125 HD13 0.06 -0.01 -0.16 -0.04 0.93 0.78 2ze1A1 LEU 125 HD23 0.01 0.02 -0.08 -0.04 0.89 0.80 2ze1A1 ARG 126 H 0.04 -0.01 -0.05 -0.55 8.46 7.88 2ze1A1 ARG 126 HA 0.04 -0.06 0.35 -0.75 4.34 3.93 2ze1A1 ARG 126 HB2 0.02 0.13 -0.07 -0.04 1.90 1.94 2ze1A1 ARG 126 HB3 0.02 -0.01 0.15 -0.04 1.80 1.92 2ze1A1 ARG 126 HG2 0.02 -0.00 0.00 -0.04 1.67 1.65 2ze1A1 ARG 126 HG3 0.03 -0.05 0.03 -0.04 1.67 1.65 2ze1A1 ARG 126 HD2 0.01 -0.01 -0.05 -0.04 3.22 3.14 2ze1A1 ARG 126 HD3 0.01 0.01 -0.22 -0.04 3.22 2.98 2ze1A1 LYS 127 H 0.06 0.15 0.07 -0.55 8.42 8.14 2ze1A1 LYS 127 HA 0.03 0.05 0.58 -0.75 4.32 4.23 2ze1A1 LYS 127 HB2 0.04 0.30 -0.32 -0.04 1.87 1.84 2ze1A1 LYS 127 HB3 0.05 -0.10 -0.12 -0.04 1.79 1.58 2ze1A1 LYS 127 HG2 0.04 0.12 -0.08 -0.04 1.46 1.50 2ze1A1 LYS 127 HG3 0.03 -0.02 0.12 -0.04 1.46 1.55 2ze1A1 LYS 127 HD2 0.05 -0.04 -0.07 -0.04 1.69 1.58 2ze1A1 LYS 127 HD3 0.04 -0.03 -0.02 -0.04 1.68 1.63 2ze1A1 LYS 127 HE2 0.03 -0.02 0.02 -0.04 2.99 2.97 2ze1A1 LYS 127 HE3 0.03 0.14 -0.03 -0.04 2.99 3.10 2ze1A1 GLY 128 H 0.03 0.16 0.19 -0.55 8.43 8.27 2ze1A1 GLY 128 HA2 0.07 0.18 1.09 -0.51 4.01 4.83 2ze1A1 GLY 128 HA3 0.04 0.01 0.38 -0.51 4.01 3.93 2ze1A1 VAL 129 H 0.08 0.63 0.36 -0.55 8.24 8.76 2ze1A1 VAL 129 HA 0.01 0.18 0.86 -0.75 4.13 4.42 2ze1A1 VAL 129 HB -0.15 0.03 -0.17 -0.04 2.12 1.79 2ze1A1 VAL 129 HG13 0.07 0.02 -0.25 -0.04 0.97 0.77 2ze1A1 VAL 129 HG23 0.25 -0.04 -0.16 -0.04 0.95 0.96 2ze1A1 TYR 130 H -0.03 0.26 0.15 -0.55 8.29 8.12 2ze1A1 TYR 130 HA -0.24 0.15 0.97 -0.75 4.56 4.68 2ze1A1 TYR 130 HB2 -0.10 -0.02 -0.04 -0.04 3.06 2.86 2ze1A1 TYR 130 HB3 -0.12 0.02 0.14 -0.04 2.98 2.97 2ze1A1 TYR 130 HD2 -0.12 0.01 0.01 -0.04 7.15 7.01 2ze1A1 TYR 130 HE2 -0.09 -0.01 -0.08 -0.04 6.85 6.62 2ze1A1 VAL 131 H -0.60 0.47 0.15 -0.55 8.24 7.71 2ze1A1 VAL 131 HA -0.56 0.25 0.95 -0.75 4.13 4.01 2ze1A1 VAL 131 HB -1.95 -0.04 0.19 -0.04 2.12 0.28 2ze1A1 VAL 131 HG13 -0.24 0.00 -0.07 -0.04 0.97 0.62 2ze1A1 VAL 131 HG23 -1.14 -0.01 -0.26 -0.04 0.95 -0.51 2ze1A1 PRO 132 HA -0.54 0.15 1.01 -0.51 4.44 4.55 2ze1A1 PRO 132 HB2 -0.24 0.05 -0.00 -0.04 2.28 2.04 2ze1A1 PRO 132 HB3 -0.41 -0.01 0.08 -0.04 2.02 1.64 2ze1A1 PRO 132 HG2 -0.30 0.04 0.04 -0.04 2.03 1.77 2ze1A1 PRO 132 HG3 -0.60 0.01 0.01 -0.04 2.03 1.41 2ze1A1 PRO 132 HD2 -0.51 0.17 0.14 -0.04 3.68 3.43 2ze1A1 PRO 132 HD3 -1.56 0.03 -0.22 -0.04 3.65 1.87 2ze1A1 TYR 133 H -0.56 0.72 0.36 -0.55 8.29 8.26 2ze1A1 TYR 133 HA -0.05 0.10 0.47 -0.75 4.56 4.34 2ze1A1 TYR 133 HB2 0.02 -0.04 0.01 -0.04 3.06 3.00 2ze1A1 TYR 133 HB3 -0.02 0.11 -0.04 -0.04 2.98 2.99 2ze1A1 TYR 133 HD2 -0.00 0.03 -0.47 -0.04 7.15 6.67 2ze1A1 TYR 133 HE2 0.19 0.05 -0.20 -0.04 6.85 6.84 2ze1A1 THR 134 H 0.16 0.16 0.08 -0.55 8.28 8.13 2ze1A1 THR 134 HA 0.04 0.05 0.39 -0.75 4.39 4.12 2ze1A1 THR 134 HB 0.07 0.02 0.22 -0.04 4.32 4.59 2ze1A1 THR 134 HG23 0.04 0.01 -0.02 -0.04 1.22 1.20 2ze1A1 GLN 135 H 0.02 0.33 0.34 -0.55 8.47 8.62 2ze1A1 GLN 135 HA 0.06 -0.03 0.33 -0.75 4.36 3.96 2ze1A1 GLN 135 HB2 0.11 -0.06 0.14 -0.04 2.15 2.29 2ze1A1 GLN 135 HB3 0.12 0.27 0.58 -0.04 2.02 2.95 2ze1A1 GLN 135 HG2 0.44 -0.20 -0.33 -0.04 2.40 2.27 2ze1A1 GLN 135 HG3 0.27 0.01 -0.13 -0.04 2.39 2.50 2ze1A1 GLN 135 HE21 0.04 -0.04 -0.04 -0.04 6.97 6.90 2ze1A1 GLN 135 HE22 0.23 0.05 -0.07 -0.04 7.69 7.86 2ze1A1 GLY 136 H -0.11 0.23 -0.05 -0.55 8.43 7.95 2ze1A1 GLY 136 HA2 -0.08 0.04 0.60 -0.51 4.01 4.06 2ze1A1 GLY 136 HA3 -0.03 0.27 0.34 -0.51 4.01 4.08 2ze1A1 LYS 137 H -0.14 0.45 0.35 -0.55 8.42 8.53 2ze1A1 LYS 137 HA -0.89 0.20 0.60 -0.75 4.32 3.48 2ze1A1 LYS 137 HB2 -0.31 0.03 -0.05 -0.04 1.87 1.51 2ze1A1 LYS 137 HB3 -0.32 0.10 -0.04 -0.04 1.79 1.49 2ze1A1 LYS 137 HG2 -0.04 -0.08 -0.18 -0.04 1.46 1.12 2ze1A1 LYS 137 HG3 0.02 -0.04 -0.34 -0.04 1.46 1.07 2ze1A1 LYS 137 HD2 0.41 0.00 -0.17 -0.04 1.69 1.89 2ze1A1 LYS 137 HD3 0.07 0.03 -0.14 -0.04 1.68 1.61 2ze1A1 LYS 137 HE2 0.04 -0.00 -0.14 -0.04 2.99 2.85 2ze1A1 LYS 137 HE3 0.07 -0.03 -0.18 -0.04 2.99 2.82 2ze1A1 TRP 138 H -0.36 0.62 0.28 -0.55 7.97 7.97 2ze1A1 TRP 138 HA -0.11 0.11 0.37 -0.75 4.62 4.24 2ze1A1 TRP 138 HB2 -0.39 0.04 0.09 -0.04 3.23 2.93 2ze1A1 TRP 138 HB3 -0.60 0.01 0.20 -0.04 3.23 2.80 2ze1A1 TRP 138 HD1 -0.17 0.02 -0.17 -0.04 7.22 6.86 2ze1A1 TRP 138 HE1 -0.05 0.01 -0.09 -0.04 10.20 10.03 2ze1A1 TRP 138 HE3 -0.14 0.05 -0.52 -0.04 7.59 6.94 2ze1A1 TRP 138 HZ2 -0.04 -0.03 -0.10 -0.04 7.44 7.24 2ze1A1 TRP 138 HZ3 -0.04 -0.02 -0.30 -0.04 7.13 6.73 2ze1A1 TRP 138 HH2 -0.02 0.01 -0.16 -0.04 7.19 6.98 2ze1A1 GLU 139 H 0.20 0.90 0.40 -0.55 8.60 9.55 2ze1A1 GLU 139 HA 0.06 0.30 0.98 -0.75 4.29 4.87 2ze1A1 GLU 139 HB2 0.09 -0.09 0.11 -0.04 2.09 2.16 2ze1A1 GLU 139 HB3 0.07 0.05 0.16 -0.04 1.99 2.22 2ze1A1 GLU 139 HG2 0.32 0.01 -0.00 -0.04 2.34 2.63 2ze1A1 GLU 139 HG3 0.14 -0.06 -0.22 -0.04 2.34 2.16 2ze1A1 GLY 140 H 0.14 0.52 0.36 -0.55 8.43 8.91 2ze1A1 GLY 140 HA2 0.12 -0.07 0.42 -0.51 4.01 3.97 2ze1A1 GLY 140 HA3 0.20 0.27 0.50 -0.51 4.01 4.46 2ze1A1 GLU 141 H 0.10 0.28 0.28 -0.55 8.60 8.72 2ze1A1 GLU 141 HA 0.11 0.25 1.21 -0.75 4.29 5.11 2ze1A1 GLU 141 HB2 0.10 0.04 0.24 -0.04 2.09 2.42 2ze1A1 GLU 141 HB3 0.07 -0.04 0.09 -0.04 1.99 2.07 2ze1A1 GLU 141 HG2 0.11 0.01 0.05 -0.04 2.34 2.47 2ze1A1 GLU 141 HG3 0.09 -0.02 0.04 -0.04 2.34 2.41 2ze1A1 LEU 142 H 0.11 0.71 0.40 -0.55 8.37 9.04 2ze1A1 LEU 142 HA 0.16 0.21 0.86 -0.75 4.35 4.82 2ze1A1 LEU 142 HB2 0.09 0.05 0.10 -0.04 1.64 1.84 2ze1A1 LEU 142 HB3 0.10 0.03 -0.02 -0.04 1.64 1.71 2ze1A1 LEU 142 HG 0.12 -0.08 -0.24 -0.04 1.64 1.41 2ze1A1 LEU 142 HD13 0.08 0.01 -0.11 -0.04 0.93 0.87 2ze1A1 LEU 142 HD23 0.15 0.02 -0.11 -0.04 0.89 0.91 2ze1A1 GLY 143 H 0.19 0.56 0.44 -0.55 8.43 9.07 2ze1A1 GLY 143 HA2 0.05 0.01 0.68 -0.51 4.01 4.24 2ze1A1 GLY 143 HA3 0.28 0.03 0.47 -0.51 4.01 4.28 2ze1A1 THR 144 H -0.06 0.61 0.39 -0.55 8.28 8.67 2ze1A1 THR 144 HA 0.13 0.25 0.91 -0.75 4.39 4.93 2ze1A1 THR 144 HB 0.05 0.06 -0.05 -0.04 4.32 4.34 2ze1A1 THR 144 HG23 0.03 -0.02 -0.21 -0.04 1.22 0.99 2ze1A1 ASP 145 H 0.12 0.61 0.31 -0.55 8.40 8.89 2ze1A1 ASP 145 HA 0.13 0.27 0.53 -0.75 4.63 4.81 2ze1A1 ASP 145 HB2 0.35 -0.01 -0.36 -0.04 2.71 2.65 2ze1A1 ASP 145 HB3 0.14 0.03 -0.12 -0.04 2.70 2.71 2ze1A1 LEU 146 H 0.10 0.06 0.10 -0.55 8.37 8.08 2ze1A1 LEU 146 HA 0.04 0.29 0.77 -0.75 4.35 4.69 2ze1A1 LEU 146 HB2 0.05 -0.04 0.01 -0.04 1.64 1.62 2ze1A1 LEU 146 HB3 0.03 0.05 -0.11 -0.04 1.64 1.57 2ze1A1 LEU 146 HG 0.05 -0.03 -0.06 -0.04 1.64 1.56 2ze1A1 LEU 146 HD13 0.03 0.00 -0.10 -0.04 0.93 0.83 2ze1A1 LEU 146 HD23 0.02 0.02 -0.22 -0.04 0.89 0.67 2ze1A1 VAL 147 H 0.04 0.75 0.41 -0.55 8.24 8.90 2ze1A1 VAL 147 HA 0.01 0.35 1.10 -0.75 4.13 4.84 2ze1A1 VAL 147 HB 0.16 -0.03 0.10 -0.04 2.12 2.30 2ze1A1 VAL 147 HG13 -0.35 0.01 -0.11 -0.04 0.97 0.48 2ze1A1 VAL 147 HG23 0.03 0.01 -0.21 -0.04 0.95 0.74 2ze1A1 SER 148 H -0.00 0.54 0.35 -0.55 8.46 8.79 2ze1A1 SER 148 HA 0.03 0.23 0.89 -0.75 4.49 4.89 2ze1A1 SER 148 HB2 -0.01 -0.07 -0.06 -0.04 3.95 3.77 2ze1A1 SER 148 HB3 -0.00 0.15 0.07 -0.04 3.93 4.10 2ze1A1 ILE 149 H 0.01 0.34 0.09 -0.55 8.25 8.13 2ze1A1 ILE 149 HA -0.02 0.24 0.89 -0.75 4.18 4.53 2ze1A1 ILE 149 HB 0.01 -0.03 0.14 -0.04 1.89 1.98 2ze1A1 ILE 149 HG12 -0.13 0.07 -0.10 -0.04 1.49 1.30 2ze1A1 ILE 149 HG13 0.00 -0.08 -0.28 -0.04 1.21 0.81 2ze1A1 ILE 149 HG23 0.01 0.04 -0.11 -0.04 0.93 0.83 2ze1A1 ILE 149 HD13 -0.03 -0.01 -0.06 -0.04 0.88 0.74 2ze1A1 PRO 150 HA -0.11 0.05 0.32 -0.51 4.44 4.19 2ze1A1 PRO 150 HB2 -0.24 0.04 -0.01 -0.04 2.28 2.03 2ze1A1 PRO 150 HB3 -0.19 0.01 0.01 -0.04 2.02 1.80 2ze1A1 PRO 150 HG2 -0.00 0.04 -0.15 -0.04 2.03 1.88 2ze1A1 PRO 150 HG3 -0.04 -0.00 -0.11 -0.04 2.03 1.84 2ze1A1 PRO 150 HD2 0.02 0.35 -0.08 -0.04 3.68 3.93 2ze1A1 PRO 150 HD3 -0.01 0.09 -0.22 -0.04 3.65 3.47 2ze1A1 HIS 151 H 0.04 0.13 -0.22 -0.55 8.41 7.82 2ze1A1 HIS 151 HA -0.00 0.20 0.91 -0.75 4.63 4.98 2ze1A1 HIS 151 HB2 -0.00 -0.06 0.25 -0.04 3.26 3.40 2ze1A1 HIS 151 HB3 -0.01 0.32 0.27 -0.04 3.20 3.74 2ze1A1 HIS 151 HD2 0.01 -0.04 0.02 -0.04 6.97 6.92 2ze1A1 HIS 151 HE1 0.01 -0.04 -0.03 -0.04 7.75 7.65 2ze1A1 GLY 152 H -0.00 0.43 -0.40 -0.55 8.43 7.91 2ze1A1 GLY 152 HA2 0.03 0.02 0.54 -0.51 4.01 4.09 2ze1A1 GLY 152 HA3 0.03 -0.01 0.35 -0.51 4.01 3.86 2ze1A1 PRO 153 HA 0.01 0.05 0.46 -0.51 4.44 4.45 2ze1A1 PRO 153 HB2 -0.00 -0.00 -0.07 -0.04 2.28 2.17 2ze1A1 PRO 153 HB3 0.02 0.07 0.08 -0.04 2.02 2.14 2ze1A1 PRO 153 HG2 0.01 0.01 0.08 -0.04 2.03 2.10 2ze1A1 PRO 153 HG3 0.01 0.02 0.04 -0.04 2.03 2.06 2ze1A1 PRO 153 HD2 0.03 0.10 0.24 -0.04 3.68 4.01 2ze1A1 PRO 153 HD3 0.04 0.08 0.21 -0.04 3.65 3.94 2ze1A1 ASN 154 H 0.01 0.11 0.14 -0.55 8.53 8.24 2ze1A1 ASN 154 HA -0.01 0.19 0.62 -0.75 4.76 4.81 2ze1A1 ASN 154 HB2 0.00 0.05 0.16 -0.04 2.88 3.05 2ze1A1 ASN 154 HB3 0.01 -0.05 0.24 -0.04 2.79 2.95 2ze1A1 ASN 154 HD21 0.00 -0.03 0.02 -0.04 7.03 6.98 2ze1A1 ASN 154 HD22 0.00 -0.02 0.08 -0.04 7.74 7.76 2ze1A1 VAL 155 H -0.00 0.61 0.02 -0.55 8.24 8.32 2ze1A1 VAL 155 HA -0.01 0.14 0.73 -0.75 4.13 4.24 2ze1A1 VAL 155 HB -0.03 0.06 -0.02 -0.04 2.12 2.09 2ze1A1 VAL 155 HG13 -0.01 -0.03 -0.20 -0.04 0.97 0.69 2ze1A1 VAL 155 HG23 -0.03 -0.01 -0.20 -0.04 0.95 0.66 2ze1A1 THR 156 H -0.01 0.24 0.14 -0.55 8.28 8.10 2ze1A1 THR 156 HA 0.00 0.28 0.74 -0.75 4.39 4.66 2ze1A1 THR 156 HB 0.00 -0.03 0.01 -0.04 4.32 4.27 2ze1A1 THR 156 HG23 0.01 -0.00 -0.24 -0.04 1.22 0.95 2ze1A1 VAL 157 H 0.01 0.60 0.27 -0.55 8.24 8.56 2ze1A1 VAL 157 HA -0.06 0.18 0.86 -0.75 4.13 4.35 2ze1A1 VAL 157 HB -0.10 0.03 0.00 -0.04 2.12 2.01 2ze1A1 VAL 157 HG13 -0.23 -0.02 -0.42 -0.04 0.97 0.26 2ze1A1 VAL 157 HG23 -0.18 -0.01 -0.24 -0.04 0.95 0.48 2ze1A1 ARG 158 H -0.04 0.19 0.11 -0.55 8.46 8.18 2ze1A1 ARG 158 HA 0.03 0.28 0.91 -0.75 4.34 4.80 2ze1A1 ARG 158 HB2 0.00 -0.02 0.03 -0.04 1.90 1.87 2ze1A1 ARG 158 HB3 -0.01 -0.00 0.15 -0.04 1.80 1.89 2ze1A1 ARG 158 HG2 0.02 -0.02 -0.21 -0.04 1.67 1.42 2ze1A1 ARG 158 HG3 0.03 0.05 -0.11 -0.04 1.67 1.61 2ze1A1 ARG 158 HD2 0.00 -0.01 -0.05 -0.04 3.22 3.12 2ze1A1 ARG 158 HD3 0.01 -0.01 -0.11 -0.04 3.22 3.06 2ze1A1 ALA 159 H 0.07 0.52 0.29 -0.55 8.40 8.73 2ze1A1 ALA 159 HA 0.02 0.14 0.86 -0.75 4.34 4.61 2ze1A1 ALA 159 HB3 0.13 -0.00 -0.02 -0.04 1.41 1.48 2ze1A1 ASN 160 H 0.11 0.17 0.15 -0.55 8.53 8.41 2ze1A1 ASN 160 HA 0.13 0.20 0.83 -0.75 4.76 5.17 2ze1A1 ASN 160 HB2 0.14 0.05 0.09 -0.04 2.88 3.13 2ze1A1 ASN 160 HB3 0.13 -0.02 0.04 -0.04 2.79 2.91 2ze1A1 ASN 160 HD21 0.05 -0.11 0.08 -0.04 7.03 7.01 2ze1A1 ASN 160 HD22 0.08 0.50 0.01 -0.04 7.74 8.30 2ze1A1 ILE 161 H 0.18 0.63 0.31 -0.55 8.25 8.82 2ze1A1 ILE 161 HA 0.19 0.27 0.85 -0.75 4.18 4.73 2ze1A1 ILE 161 HB 0.22 -0.08 -0.10 -0.04 1.89 1.90 2ze1A1 ILE 161 HG12 0.56 0.10 -0.33 -0.04 1.49 1.77 2ze1A1 ILE 161 HG13 0.25 0.09 -0.59 -0.04 1.21 0.91 2ze1A1 ILE 161 HG23 -0.20 -0.02 -0.29 -0.04 0.93 0.38 2ze1A1 ILE 161 HD13 0.06 -0.02 -0.24 -0.04 0.88 0.64 2ze1A1 ALA 162 H -0.01 0.72 0.31 -0.55 8.40 8.87 2ze1A1 ALA 162 HA 0.16 0.17 0.78 -0.75 4.34 4.69 2ze1A1 ALA 162 HB3 0.18 -0.02 -0.02 -0.04 1.41 1.52 2ze1A1 ALA 163 H 0.15 0.69 0.19 -0.55 8.40 8.89 2ze1A1 ALA 163 HA 0.11 0.17 0.63 -0.75 4.34 4.51 2ze1A1 ALA 163 HB3 0.13 -0.01 0.09 -0.04 1.41 1.59 2ze1A1 ILE 164 H 0.03 0.78 0.30 -0.55 8.25 8.80 2ze1A1 ILE 164 HA 0.15 0.13 0.58 -0.75 4.18 4.29 2ze1A1 ILE 164 HB 0.13 -0.09 0.03 -0.04 1.89 1.92 2ze1A1 ILE 164 HG12 -0.33 -0.02 -0.22 -0.04 1.49 0.89 2ze1A1 ILE 164 HG13 -0.26 0.15 -0.11 -0.04 1.21 0.94 2ze1A1 ILE 164 HG23 0.08 0.01 -0.19 -0.04 0.93 0.78 2ze1A1 ILE 164 HD13 -0.75 -0.03 -0.27 -0.04 0.88 -0.20 2ze1A1 THR 165 H 0.11 0.36 0.48 -0.55 8.28 8.69 2ze1A1 THR 165 HA 0.02 0.15 0.75 -0.75 4.39 4.56 2ze1A1 THR 165 HB 0.02 0.00 0.04 -0.04 4.32 4.33 2ze1A1 THR 165 HG23 0.03 0.05 -0.05 -0.04 1.22 1.20 2ze1A1 GLU 166 H 0.11 0.33 0.24 -0.55 8.60 8.74 2ze1A1 GLU 166 HA 0.11 0.21 0.75 -0.75 4.29 4.60 2ze1A1 GLU 166 HB2 0.06 -0.08 0.03 -0.04 2.09 2.07 2ze1A1 GLU 166 HB3 0.07 0.02 -0.02 -0.04 1.99 2.01 2ze1A1 GLU 166 HG2 0.03 0.03 0.05 -0.04 2.34 2.41 2ze1A1 GLU 166 HG3 0.03 0.20 -0.25 -0.04 2.34 2.28 2ze1A1 SER 167 H 0.17 0.36 0.21 -0.55 8.46 8.65 2ze1A1 SER 167 HA 0.12 0.10 0.41 -0.75 4.49 4.37 2ze1A1 SER 167 HB2 0.11 0.16 0.27 -0.04 3.95 4.45 2ze1A1 SER 167 HB3 0.07 0.04 -0.08 -0.04 3.93 3.92 2ze1A1 ASP 168 H 0.13 0.60 0.30 -0.55 8.40 8.89 2ze1A1 ASP 168 HA 0.22 0.05 0.48 -0.75 4.63 4.62 2ze1A1 ASP 168 HB2 0.09 0.08 0.08 -0.04 2.71 2.92 2ze1A1 ASP 168 HB3 0.10 0.10 0.21 -0.04 2.70 3.06 2ze1A1 LYS 169 H 0.23 0.17 0.13 -0.55 8.42 8.40 2ze1A1 LYS 169 HA 0.22 0.08 0.27 -0.75 4.32 4.15 2ze1A1 LYS 169 HB2 0.19 0.08 -0.23 -0.04 1.87 1.87 2ze1A1 LYS 169 HB3 0.21 0.04 0.13 -0.04 1.79 2.13 2ze1A1 LYS 169 HG2 0.13 -0.08 -0.06 -0.04 1.46 1.42 2ze1A1 LYS 169 HG3 0.12 0.08 -0.07 -0.04 1.46 1.55 2ze1A1 LYS 169 HD2 0.17 -0.01 0.05 -0.04 1.69 1.86 2ze1A1 LYS 169 HD3 0.12 -0.01 0.02 -0.04 1.68 1.78 2ze1A1 LYS 169 HE2 0.09 0.01 0.01 -0.04 2.99 3.06 2ze1A1 LYS 169 HE3 0.12 0.02 0.02 -0.04 2.99 3.11 2ze1A1 PHE 170 H 0.27 -0.11 -0.32 -0.55 8.34 7.62 2ze1A1 PHE 170 HA 0.11 0.23 0.77 -0.75 4.62 4.98 2ze1A1 PHE 170 HB2 0.18 0.13 -0.09 -0.04 3.15 3.33 2ze1A1 PHE 170 HB3 -0.33 -0.13 0.02 -0.04 3.06 2.58 2ze1A1 PHE 170 HD2 -0.98 -0.00 -0.15 -0.04 7.28 6.11 2ze1A1 PHE 170 HE2 -0.35 -0.01 -0.17 -0.04 7.38 6.81 2ze1A1 PHE 170 HZ -0.48 -0.03 -0.15 -0.04 7.32 6.62 2ze1A1 PHE 171 H 0.02 -0.06 0.02 -0.55 8.34 7.76 2ze1A1 PHE 171 HA -0.46 0.17 0.54 -0.75 4.62 4.11 2ze1A1 PHE 171 HB2 -0.14 -0.11 -0.00 -0.04 3.15 2.86 2ze1A1 PHE 171 HB3 -0.22 0.11 -0.07 -0.04 3.06 2.85 2ze1A1 PHE 171 HD2 -0.50 0.02 -0.06 -0.04 7.28 6.69 2ze1A1 PHE 171 HE2 0.08 0.04 -0.18 -0.04 7.38 7.27 2ze1A1 PHE 171 HZ 0.06 -0.03 -0.04 -0.04 7.32 7.26 2ze1A1 ILE 172 H -0.65 0.20 0.14 -0.55 8.25 7.39 2ze1A1 ILE 172 HA -0.33 0.14 0.80 -0.75 4.18 4.04 2ze1A1 ILE 172 HB -0.44 -0.02 0.06 -0.04 1.89 1.44 2ze1A1 ILE 172 HG12 -0.13 -0.01 -0.13 -0.04 1.49 1.18 2ze1A1 ILE 172 HG13 0.08 0.08 -0.04 -0.04 1.21 1.29 2ze1A1 ILE 172 HG23 -0.19 0.05 -0.08 -0.04 0.93 0.67 2ze1A1 ILE 172 HD13 -0.03 0.02 -0.19 -0.04 0.88 0.64 2ze1A1 ASN 173 H -0.76 0.17 0.12 -0.55 8.53 7.52 2ze1A1 ASN 173 HA -0.64 0.02 0.54 -0.75 4.76 3.93 2ze1A1 ASN 173 HB2 -1.23 -0.02 0.13 -0.04 2.88 1.72 2ze1A1 ASN 173 HB3 -0.39 0.05 0.15 -0.04 2.79 2.56 2ze1A1 ASN 173 HD21 0.02 0.01 -0.03 -0.04 7.03 6.99 2ze1A1 ASN 173 HD22 -0.09 0.01 -0.01 -0.04 7.74 7.61 2ze1A1 GLY 174 H -0.26 0.18 0.27 -0.55 8.43 8.08 2ze1A1 GLY 174 HA2 -0.11 0.00 0.34 -0.51 4.01 3.74 2ze1A1 GLY 174 HA3 -0.11 0.12 0.41 -0.51 4.01 3.92 2ze1A1 SER 175 H -0.38 0.26 -0.28 -0.55 8.46 7.52 2ze1A1 SER 175 HA -0.14 0.16 0.27 -0.75 4.49 4.03 2ze1A1 SER 175 HB2 -0.41 0.18 0.03 -0.04 3.95 3.72 2ze1A1 SER 175 HB3 -0.50 -0.05 -0.03 -0.04 3.93 3.31 2ze1A1 ASN 176 H -0.36 0.02 -0.14 -0.55 8.53 7.50 2ze1A1 ASN 176 HA -0.24 -0.04 0.23 -0.75 4.76 3.96 2ze1A1 ASN 176 HB2 -0.07 0.07 -0.27 -0.04 2.88 2.56 2ze1A1 ASN 176 HB3 -0.26 0.14 0.17 -0.04 2.79 2.79 2ze1A1 ASN 176 HD21 0.07 -0.04 0.01 -0.04 7.03 7.03 2ze1A1 ASN 176 HD22 0.21 0.06 0.02 -0.04 7.74 7.99 2ze1A1 TRP 177 H -0.80 0.10 -0.21 -0.55 7.97 6.50 2ze1A1 TRP 177 HA -0.32 0.17 0.90 -0.75 4.62 4.62 2ze1A1 TRP 177 HB2 -0.11 -0.03 0.02 -0.04 3.23 3.08 2ze1A1 TRP 177 HB3 -0.33 0.03 -0.27 -0.04 3.23 2.62 2ze1A1 TRP 177 HD1 -0.06 0.18 -0.29 -0.04 7.22 7.00 2ze1A1 TRP 177 HE1 -0.06 0.51 0.06 -0.04 10.20 10.67 2ze1A1 TRP 177 HE3 -0.02 -0.07 -0.28 -0.04 7.59 7.18 2ze1A1 TRP 177 HZ2 -0.16 0.08 -0.01 -0.04 7.44 7.31 2ze1A1 TRP 177 HZ3 -0.43 -0.06 -0.21 -0.04 7.13 6.38 2ze1A1 TRP 177 HH2 -0.53 0.17 -0.03 -0.04 7.19 6.76 2ze1A1 GLU 178 H 0.17 0.85 0.40 -0.55 8.60 9.48 2ze1A1 GLU 178 HA -0.05 0.15 0.90 -0.75 4.29 4.54 2ze1A1 GLU 178 HB2 0.04 -0.02 0.09 -0.04 2.09 2.16 2ze1A1 GLU 178 HB3 0.01 -0.01 0.19 -0.04 1.99 2.14 2ze1A1 GLU 178 HG2 -0.03 0.15 -0.04 -0.04 2.34 2.37 2ze1A1 GLU 178 HG3 -0.13 -0.00 -0.07 -0.04 2.34 2.10 2ze1A1 GLY 179 H 0.38 0.29 0.28 -0.55 8.43 8.83 2ze1A1 GLY 179 HA2 0.26 0.08 0.68 -0.51 4.01 4.52 2ze1A1 GLY 179 HA3 0.02 0.03 0.42 -0.51 4.01 3.98 2ze1A1 ILE 180 H -0.13 0.90 0.39 -0.55 8.25 8.86 2ze1A1 ILE 180 HA -0.23 0.15 0.96 -0.75 4.18 4.31 2ze1A1 ILE 180 HB -0.06 -0.01 0.04 -0.04 1.89 1.82 2ze1A1 ILE 180 HG12 -0.29 -0.02 -0.10 -0.04 1.49 1.04 2ze1A1 ILE 180 HG13 -0.54 0.04 0.03 -0.04 1.21 0.70 2ze1A1 ILE 180 HG23 -0.07 -0.00 -0.22 -0.04 0.93 0.59 2ze1A1 ILE 180 HD13 -0.57 0.00 -0.27 -0.04 0.88 0.01 2ze1A1 LEU 181 H -0.11 0.84 0.19 -0.55 8.37 8.73 2ze1A1 LEU 181 HA 0.17 0.11 0.95 -0.75 4.35 4.83 2ze1A1 LEU 181 HB2 -0.03 -0.00 -0.10 -0.04 1.64 1.47 2ze1A1 LEU 181 HB3 -0.11 0.06 0.14 -0.04 1.64 1.69 2ze1A1 LEU 181 HG -0.14 -0.03 -0.30 -0.04 1.64 1.12 2ze1A1 LEU 181 HD13 -0.48 -0.00 -0.09 -0.04 0.93 0.31 2ze1A1 LEU 181 HD23 -0.25 -0.00 -0.10 -0.04 0.89 0.49 2ze1A1 GLY 182 H 0.07 0.61 -0.06 -0.55 8.43 8.50 2ze1A1 GLY 182 HA2 -0.02 0.12 0.48 -0.51 4.01 4.07 2ze1A1 GLY 182 HA3 0.03 -0.21 -0.14 -0.51 4.01 3.19 2ze1A1 LEU 183 H -0.04 0.60 0.42 -0.55 8.37 8.80 2ze1A1 LEU 183 HA -0.04 0.07 0.79 -0.75 4.35 4.42 2ze1A1 LEU 183 HB2 -0.17 -0.07 -0.05 -0.04 1.64 1.31 2ze1A1 LEU 183 HB3 -0.33 -0.03 0.09 -0.04 1.64 1.33 2ze1A1 LEU 183 HG -0.23 0.15 -0.25 -0.04 1.64 1.27 2ze1A1 LEU 183 HD13 -0.74 -0.03 -0.13 -0.04 0.93 -0.01 2ze1A1 LEU 183 HD23 -0.34 -0.00 -0.11 -0.04 0.89 0.40 2ze1A1 ALA 184 H -0.01 0.59 0.09 -0.55 8.40 8.53 2ze1A1 ALA 184 HA -0.49 0.09 0.61 -0.75 4.34 3.80 2ze1A1 ALA 184 HB3 -0.12 0.07 -0.07 -0.04 1.41 1.24 2ze1A1 TYR 185 H -0.04 0.58 0.12 -0.55 8.29 8.40 2ze1A1 TYR 185 HA 0.00 0.14 0.30 -0.75 4.56 4.25 2ze1A1 TYR 185 HB2 -0.01 0.03 -0.18 -0.04 3.06 2.86 2ze1A1 TYR 185 HB3 0.01 -0.07 0.03 -0.04 2.98 2.92 2ze1A1 TYR 185 HD2 -0.11 0.08 -0.14 -0.04 7.15 6.94 2ze1A1 TYR 185 HE2 -0.17 0.02 -0.06 -0.04 6.85 6.59 2ze1A1 ALA 186 H 0.18 0.16 0.14 -0.55 8.40 8.34 2ze1A1 ALA 186 HA 0.08 0.14 0.27 -0.75 4.34 4.07 2ze1A1 ALA 186 HB3 0.08 0.07 0.12 -0.04 1.41 1.63 2ze1A1 GLU 187 H 0.12 0.10 -0.33 -0.55 8.60 7.95 2ze1A1 GLU 187 HA 0.06 0.02 0.29 -0.75 4.29 3.90 2ze1A1 GLU 187 HB2 0.09 0.09 0.15 -0.04 2.09 2.38 2ze1A1 GLU 187 HB3 0.20 -0.05 0.02 -0.04 1.99 2.13 2ze1A1 GLU 187 HG2 0.09 0.01 0.03 -0.04 2.34 2.43 2ze1A1 GLU 187 HG3 0.02 -0.02 0.06 -0.04 2.34 2.36 2ze1A1 ILE 188 H 0.04 0.36 -0.37 -0.55 8.25 7.73 2ze1A1 ILE 188 HA 0.03 0.23 0.76 -0.75 4.18 4.45 2ze1A1 ILE 188 HB -0.22 -0.02 0.02 -0.04 1.89 1.64 2ze1A1 ILE 188 HG12 -0.19 -0.02 -0.26 -0.04 1.49 0.98 2ze1A1 ILE 188 HG13 -0.13 0.10 -0.30 -0.04 1.21 0.83 2ze1A1 ILE 188 HG23 -0.17 -0.02 -0.21 -0.04 0.93 0.49 2ze1A1 ILE 188 HD13 -0.82 -0.04 -0.27 -0.04 0.88 -0.28 2ze1A1 ALA 189 H 0.04 0.46 -0.39 -0.55 8.40 7.97 2ze1A1 ALA 189 HA 0.06 -0.14 0.32 -0.75 4.34 3.83 2ze1A1 ALA 189 HB3 0.07 0.04 -0.06 -0.04 1.41 1.43 2ze1A1 ARG 190 H 0.10 0.02 0.07 -0.55 8.46 8.10 2ze1A1 ARG 190 HA 0.02 0.17 0.58 -0.75 4.34 4.35 2ze1A1 ARG 190 HB2 0.04 -0.07 0.01 -0.04 1.90 1.84 2ze1A1 ARG 190 HB3 -0.08 0.02 0.03 -0.04 1.80 1.72 2ze1A1 ARG 190 HG2 0.04 -0.04 -0.03 -0.04 1.67 1.59 2ze1A1 ARG 190 HG3 -0.14 -0.01 -0.03 -0.04 1.67 1.45 2ze1A1 ARG 190 HD2 -0.06 0.03 -0.01 -0.04 3.22 3.14 2ze1A1 ARG 190 HD3 -0.00 0.11 -0.39 -0.04 3.22 2.90 2ze1A1 PRO 191 HA -0.01 0.06 0.40 -0.51 4.44 4.38 2ze1A1 PRO 191 HB2 0.01 0.02 0.06 -0.04 2.28 2.34 2ze1A1 PRO 191 HB3 0.01 -0.01 0.18 -0.04 2.02 2.16 2ze1A1 PRO 191 HG2 0.03 -0.01 0.02 -0.04 2.03 2.04 2ze1A1 PRO 191 HG3 0.03 0.11 0.09 -0.04 2.03 2.22 2ze1A1 PRO 191 HD2 0.05 0.06 0.21 -0.04 3.68 3.96 2ze1A1 PRO 191 HD3 0.06 0.09 0.20 -0.04 3.65 3.96 2ze1A1 ASP 192 H 0.04 0.23 -0.16 -0.55 8.40 7.96 2ze1A1 ASP 192 HA 0.03 0.24 0.47 -0.75 4.63 4.61 2ze1A1 ASP 192 HB2 0.03 -0.09 0.18 -0.04 2.71 2.79 2ze1A1 ASP 192 HB3 0.02 0.15 -0.08 -0.04 2.70 2.75 2ze1A1 ASP 193 H 0.03 0.12 0.10 -0.55 8.40 8.11 2ze1A1 ASP 193 HA 0.05 0.42 0.33 -0.75 4.63 4.68 2ze1A1 ASP 193 HB2 0.04 -0.09 -0.10 -0.04 2.71 2.52 2ze1A1 ASP 193 HB3 0.04 0.09 -0.01 -0.04 2.70 2.78 2ze1A1 SER 194 H 0.03 0.02 -0.45 -0.55 8.46 7.51 2ze1A1 SER 194 HA 0.03 0.12 0.48 -0.75 4.49 4.37 2ze1A1 SER 194 HB2 0.03 0.02 0.04 -0.04 3.95 4.00 2ze1A1 SER 194 HB3 0.02 -0.03 0.00 -0.04 3.93 3.89 2ze1A1 LEU 195 H 0.05 0.29 -0.36 -0.55 8.37 7.80 2ze1A1 LEU 195 HA 0.06 0.06 0.65 -0.75 4.35 4.36 2ze1A1 LEU 195 HB2 0.07 -0.08 -0.02 -0.04 1.64 1.56 2ze1A1 LEU 195 HB3 0.08 0.08 0.02 -0.04 1.64 1.77 2ze1A1 LEU 195 HG 0.10 0.09 -0.20 -0.04 1.64 1.59 2ze1A1 LEU 195 HD13 0.08 -0.02 -0.03 -0.04 0.93 0.92 2ze1A1 LEU 195 HD23 0.13 -0.00 -0.03 -0.04 0.89 0.95 2ze1A1 GLU 196 H 0.05 0.22 0.09 -0.55 8.60 8.40 2ze1A1 GLU 196 HA 0.05 0.06 0.36 -0.75 4.29 4.01 2ze1A1 GLU 196 HB2 0.03 0.04 0.11 -0.04 2.09 2.22 2ze1A1 GLU 196 HB3 0.03 -0.06 0.14 -0.04 1.99 2.06 2ze1A1 GLU 196 HG2 -0.00 0.06 -0.17 -0.04 2.34 2.18 2ze1A1 GLU 196 HG3 0.02 -0.02 -0.00 -0.04 2.34 2.30 2ze1A1 PRO 197 HA 0.12 0.14 0.62 -0.51 4.44 4.82 2ze1A1 PRO 197 HB2 0.09 -0.21 0.01 -0.04 2.28 2.13 2ze1A1 PRO 197 HB3 0.09 0.27 0.14 -0.04 2.02 2.48 2ze1A1 PRO 197 HG2 0.08 -0.13 -0.01 -0.04 2.03 1.94 2ze1A1 PRO 197 HG3 0.08 0.17 0.01 -0.04 2.03 2.25 2ze1A1 PRO 197 HD2 0.07 -0.04 0.22 -0.04 3.68 3.90 2ze1A1 PRO 197 HD3 0.07 0.25 0.22 -0.04 3.65 4.15 2ze1A1 PHE 198 H 0.23 0.25 0.14 -0.55 8.34 8.41 2ze1A1 PHE 198 HA -0.06 0.07 0.31 -0.75 4.62 4.19 2ze1A1 PHE 198 HB2 -0.17 0.05 0.11 -0.04 3.15 3.10 2ze1A1 PHE 198 HB3 -0.07 0.05 0.08 -0.04 3.06 3.07 2ze1A1 PHE 198 HD2 -0.20 0.00 -0.13 -0.04 7.28 6.90 2ze1A1 PHE 198 HE2 -0.19 0.02 -0.13 -0.04 7.38 7.05 2ze1A1 PHE 198 HZ -0.17 0.04 -0.16 -0.04 7.32 6.98 2ze1A1 PHE 199 H 0.24 0.22 -0.12 -0.55 8.34 8.14 2ze1A1 PHE 199 HA -0.25 0.06 0.33 -0.75 4.62 4.00 2ze1A1 PHE 199 HB2 -0.01 0.03 0.06 -0.04 3.15 3.20 2ze1A1 PHE 199 HB3 0.00 0.07 -0.04 -0.04 3.06 3.05 2ze1A1 PHE 199 HD2 0.00 0.01 -0.11 -0.04 7.28 7.14 2ze1A1 PHE 199 HE2 0.07 -0.07 -0.03 -0.04 7.38 7.30 2ze1A1 PHE 199 HZ 0.18 0.22 0.00 -0.04 7.32 7.68 2ze1A1 ASP 200 H 0.07 0.15 -0.36 -0.55 8.40 7.71 2ze1A1 ASP 200 HA 0.03 0.05 0.51 -0.75 4.63 4.46 2ze1A1 ASP 200 HB2 0.03 0.21 0.09 -0.04 2.71 3.00 2ze1A1 ASP 200 HB3 0.03 0.00 0.01 -0.04 2.70 2.70 2ze1A1 SER 201 H -0.13 0.46 -0.13 -0.55 8.46 8.11 2ze1A1 SER 201 HA -0.12 0.02 0.48 -0.75 4.49 4.12 2ze1A1 SER 201 HB2 -0.34 0.10 0.10 -0.04 3.95 3.77 2ze1A1 SER 201 HB3 -0.16 0.09 0.04 -0.04 3.93 3.86 2ze1A1 LEU 202 H -0.57 0.55 -0.11 -0.55 8.37 7.69 2ze1A1 LEU 202 HA -0.41 -0.01 0.28 -0.75 4.35 3.45 2ze1A1 LEU 202 HB2 -0.97 0.08 0.08 -0.04 1.64 0.79 2ze1A1 LEU 202 HB3 -0.80 0.08 0.04 -0.04 1.64 0.92 2ze1A1 LEU 202 HG -0.53 -0.01 -0.08 -0.04 1.64 0.98 2ze1A1 LEU 202 HD13 -0.43 -0.01 -0.07 -0.04 0.93 0.38 2ze1A1 LEU 202 HD23 -0.22 -0.01 -0.10 -0.04 0.89 0.51 2ze1A1 VAL 203 H -0.39 0.50 -0.14 -0.55 8.24 7.67 2ze1A1 VAL 203 HA -0.21 0.11 0.32 -0.75 4.13 3.60 2ze1A1 VAL 203 HB -0.09 0.03 0.13 -0.04 2.12 2.15 2ze1A1 VAL 203 HG13 -0.02 0.01 -0.11 -0.04 0.97 0.81 2ze1A1 VAL 203 HG23 -0.22 0.03 -0.04 -0.04 0.95 0.68 2ze1A1 LYS 204 H -0.13 0.42 -0.15 -0.55 8.42 8.00 2ze1A1 LYS 204 HA -0.09 0.00 0.39 -0.75 4.32 3.87 2ze1A1 LYS 204 HB2 -0.09 0.07 0.17 -0.04 1.87 1.99 2ze1A1 LYS 204 HB3 -0.06 -0.07 0.03 -0.04 1.79 1.65 2ze1A1 LYS 204 HG2 -0.03 -0.06 0.05 -0.04 1.46 1.37 2ze1A1 LYS 204 HG3 -0.04 0.09 0.11 -0.04 1.46 1.57 2ze1A1 LYS 204 HD2 -0.03 0.00 -0.04 -0.04 1.69 1.57 2ze1A1 LYS 204 HD3 -0.02 -0.05 0.01 -0.04 1.68 1.58 2ze1A1 LYS 204 HE2 0.00 -0.02 0.01 -0.04 2.99 2.94 2ze1A1 LYS 204 HE3 0.01 -0.03 -0.02 -0.04 2.99 2.91 2ze1A1 GLN 205 H -0.15 0.50 -0.17 -0.55 8.47 8.11 2ze1A1 GLN 205 HA -0.10 0.03 0.51 -0.75 4.36 4.05 2ze1A1 GLN 205 HB2 -0.14 0.09 0.10 -0.04 2.15 2.16 2ze1A1 GLN 205 HB3 -0.09 -0.10 0.10 -0.04 2.02 1.89 2ze1A1 GLN 205 HG2 -0.07 -0.05 0.04 -0.04 2.40 2.27 2ze1A1 GLN 205 HG3 -0.10 0.06 0.09 -0.04 2.39 2.40 2ze1A1 GLN 205 HE21 -0.05 0.46 0.20 -0.04 6.97 7.54 2ze1A1 GLN 205 HE22 -0.07 -0.07 0.08 -0.04 7.69 7.60 2ze1A1 THR 206 H -0.16 0.47 -0.11 -0.55 8.28 7.94 2ze1A1 THR 206 HA -0.08 0.15 0.91 -0.75 4.39 4.62 2ze1A1 THR 206 HB -0.03 -0.17 0.16 -0.04 4.32 4.23 2ze1A1 THR 206 HG23 -0.08 -0.01 -0.14 -0.04 1.22 0.95 2ze1A1 HIS 207 H 0.07 0.07 0.11 -0.55 8.41 8.13 2ze1A1 HIS 207 HA -0.02 0.29 0.81 -0.75 4.63 4.96 2ze1A1 HIS 207 HB2 -0.01 -0.04 0.10 -0.04 3.26 3.27 2ze1A1 HIS 207 HB3 -0.00 -0.02 0.14 -0.04 3.20 3.27 2ze1A1 HIS 207 HD2 -0.00 -0.02 0.03 -0.04 6.97 6.93 2ze1A1 HIS 207 HE1 -0.01 -0.02 -0.02 -0.04 7.75 7.65 2ze1A1 VAL 208 H -0.03 0.03 -0.28 -0.55 8.24 7.40 2ze1A1 VAL 208 HA 0.04 0.08 0.43 -0.75 4.13 3.92 2ze1A1 VAL 208 HB -0.01 0.04 -0.01 -0.04 2.12 2.10 2ze1A1 VAL 208 HG13 -0.03 -0.02 -0.03 -0.04 0.97 0.84 2ze1A1 VAL 208 HG23 -0.22 0.02 -0.21 -0.04 0.95 0.51 2ze1A1 PRO 209 HA 0.06 0.07 0.51 -0.51 4.44 4.57 2ze1A1 PRO 209 HB2 0.10 -0.08 -0.13 -0.04 2.28 2.13 2ze1A1 PRO 209 HB3 0.07 0.02 0.10 -0.04 2.02 2.16 2ze1A1 PRO 209 HG2 0.10 0.23 0.23 -0.04 2.03 2.55 2ze1A1 PRO 209 HG3 0.08 0.01 0.14 -0.04 2.03 2.22 2ze1A1 PRO 209 HD2 0.07 0.02 0.32 -0.04 3.68 4.05 2ze1A1 PRO 209 HD3 0.07 0.25 0.28 -0.04 3.65 4.21 2ze1A1 ASN 210 H 0.09 0.14 0.11 -0.55 8.53 8.33 2ze1A1 ASN 210 HA 0.31 0.14 0.41 -0.75 4.76 4.86 2ze1A1 ASN 210 HB2 0.11 0.10 0.14 -0.04 2.88 3.19 2ze1A1 ASN 210 HB3 0.13 -0.10 0.23 -0.04 2.79 3.01 2ze1A1 ASN 210 HD21 0.20 0.02 -0.10 -0.04 7.03 7.11 2ze1A1 ASN 210 HD22 0.13 0.03 -0.08 -0.04 7.74 7.78 2ze1A1 LEU 211 H 0.44 0.66 0.38 -0.55 8.37 9.31 2ze1A1 LEU 211 HA 0.05 0.09 0.75 -0.75 4.35 4.49 2ze1A1 LEU 211 HB2 0.09 0.01 -0.53 -0.04 1.64 1.17 2ze1A1 LEU 211 HB3 0.12 0.00 -0.31 -0.04 1.64 1.42 2ze1A1 LEU 211 HG -0.03 -0.01 -0.16 -0.04 1.64 1.39 2ze1A1 LEU 211 HD13 0.03 -0.00 -0.17 -0.04 0.93 0.74 2ze1A1 LEU 211 HD23 0.03 -0.01 -0.40 -0.04 0.89 0.46 2ze1A1 PHE 212 H -0.29 0.41 0.25 -0.55 8.34 8.15 2ze1A1 PHE 212 HA 0.04 0.16 0.56 -0.75 4.62 4.62 2ze1A1 PHE 212 HB2 -0.05 0.05 0.09 -0.04 3.15 3.20 2ze1A1 PHE 212 HB3 -0.06 0.04 0.09 -0.04 3.06 3.09 2ze1A1 PHE 212 HD2 -0.77 0.02 -0.23 -0.04 7.28 6.27 2ze1A1 PHE 212 HE2 -0.77 0.04 -0.07 -0.04 7.38 6.54 2ze1A1 PHE 212 HZ -1.03 -0.01 -0.05 -0.04 7.32 6.20 2ze1A1 SER 213 H 0.18 0.63 0.34 -0.55 8.46 9.06 2ze1A1 SER 213 HA -0.19 0.23 1.16 -0.75 4.49 4.93 2ze1A1 SER 213 HB2 0.11 0.01 0.16 -0.04 3.95 4.19 2ze1A1 SER 213 HB3 -0.38 -0.01 -0.08 -0.04 3.93 3.42 2ze1A1 LEU 214 H -0.17 0.77 0.35 -0.55 8.37 8.77 2ze1A1 LEU 214 HA 0.04 0.24 1.10 -0.75 4.35 4.97 2ze1A1 LEU 214 HB2 0.12 0.04 0.13 -0.04 1.64 1.89 2ze1A1 LEU 214 HB3 0.00 -0.00 0.01 -0.04 1.64 1.61 2ze1A1 LEU 214 HG -0.08 0.02 -0.05 -0.04 1.64 1.48 2ze1A1 LEU 214 HD13 0.02 0.00 -0.10 -0.04 0.93 0.81 2ze1A1 LEU 214 HD23 -0.18 -0.02 -0.09 -0.04 0.89 0.57 2ze1A1 GLN 215 H 0.07 0.69 0.31 -0.55 8.47 8.99 2ze1A1 GLN 215 HA 0.13 0.34 1.08 -0.75 4.36 5.15 2ze1A1 GLN 215 HB2 0.33 -0.03 0.06 -0.04 2.15 2.46 2ze1A1 GLN 215 HB3 0.08 -0.15 0.29 -0.04 2.02 2.19 2ze1A1 GLN 215 HG2 0.05 0.09 -0.21 -0.04 2.40 2.29 2ze1A1 GLN 215 HG3 0.12 0.06 0.02 -0.04 2.39 2.54 2ze1A1 GLN 215 HE21 -0.02 0.03 0.03 -0.04 6.97 6.97 2ze1A1 GLN 215 HE22 0.00 -0.11 0.09 -0.04 7.69 7.63 2ze1A1 LEU 216 H -0.04 0.38 0.08 -0.55 8.37 8.25 2ze1A1 LEU 216 HA -0.33 0.10 0.83 -0.75 4.35 4.19 2ze1A1 LEU 216 HB2 -0.16 0.08 -0.03 -0.04 1.64 1.48 2ze1A1 LEU 216 HB3 -0.38 0.03 -0.04 -0.04 1.64 1.21 2ze1A1 LEU 216 HG -1.71 0.03 -0.02 -0.04 1.64 -0.11 2ze1A1 LEU 216 HD13 -0.39 -0.01 -0.22 -0.04 0.93 0.27 2ze1A1 LEU 216 HD23 -0.17 0.01 -0.03 -0.04 0.89 0.66 2ze1A1 CYS 217 H 0.04 0.46 0.38 -0.55 8.50 8.83 2ze1A1 CYS 217 HA 0.02 0.07 0.83 -0.75 4.58 4.75 2ze1A1 CYS 217 HB2 0.04 0.14 0.01 -0.04 2.97 3.13 2ze1A1 CYS 217 HB3 0.01 0.10 -0.03 -0.04 2.97 3.01 2ze1A1 GLY 218 H 0.26 0.04 0.22 -0.55 8.43 8.40 2ze1A1 GLY 218 HA2 0.16 -0.01 0.32 -0.51 4.01 3.97 2ze1A1 GLY 218 HA3 0.09 0.09 0.48 -0.51 4.01 4.15 2ze1A1 ALA 219 H 0.02 0.05 0.18 -0.55 8.40 8.11 2ze1A1 ALA 219 HA -0.09 0.36 0.82 -0.75 4.34 4.67 2ze1A1 ALA 219 HB3 -0.02 -0.02 0.33 -0.04 1.41 1.66 2ze1A1 GLY 220 H -0.06 0.02 0.28 -0.55 8.43 8.12 2ze1A1 GLY 220 HA2 -0.03 -0.06 0.44 -0.51 4.01 3.85 2ze1A1 GLY 220 HA3 -0.14 0.19 0.51 -0.51 4.01 4.06 2ze1A1 PHE 221 H 0.08 0.23 0.11 -0.55 8.34 8.20 2ze1A1 PHE 221 HA 0.02 0.24 0.61 -0.75 4.62 4.73 2ze1A1 PHE 221 HB2 0.08 -0.02 0.03 -0.04 3.15 3.20 2ze1A1 PHE 221 HB3 0.05 -0.00 0.09 -0.04 3.06 3.16 2ze1A1 PHE 221 HD2 0.06 -0.07 -0.07 -0.04 7.28 7.16 2ze1A1 PHE 221 HE2 0.04 -0.03 -0.11 -0.04 7.38 7.24 2ze1A1 PHE 221 HZ 0.02 0.01 -0.14 -0.04 7.32 7.18 2ze1A1 SER 231 HA -0.02 -0.08 0.26 -0.75 4.49 3.90 2ze1A1 SER 231 HB2 0.00 -0.04 0.07 -0.04 3.95 3.94 2ze1A1 SER 231 HB3 -0.02 -0.03 0.05 -0.04 3.93 3.90 2ze1A1 VAL 232 H -0.07 0.08 0.18 -0.55 8.24 7.87 2ze1A1 VAL 232 HA -0.02 0.53 0.89 -0.75 4.13 4.77 2ze1A1 VAL 232 HB -0.01 -0.13 0.10 -0.04 2.12 2.05 2ze1A1 VAL 232 HG13 -0.07 -0.02 -0.25 -0.04 0.97 0.59 2ze1A1 VAL 232 HG23 -0.50 -0.03 -0.04 -0.04 0.95 0.33 2ze1A1 GLY 233 H 0.07 0.31 0.29 -0.55 8.43 8.55 2ze1A1 GLY 233 HA2 0.01 0.32 0.82 -0.51 4.01 4.66 2ze1A1 GLY 233 HA3 0.01 0.05 0.40 -0.51 4.01 3.95 2ze1A1 GLY 234 H 0.00 0.47 0.30 -0.55 8.43 8.67 2ze1A1 GLY 234 HA2 -0.00 0.05 0.44 -0.51 4.01 3.99 2ze1A1 GLY 234 HA3 -0.03 0.08 0.64 -0.51 4.01 4.19 2ze1A1 SER 235 H -0.01 0.56 0.39 -0.55 8.46 8.86 2ze1A1 SER 235 HA -0.01 0.10 1.10 -0.75 4.49 4.92 2ze1A1 SER 235 HB2 0.04 -0.02 0.10 -0.04 3.95 4.03 2ze1A1 SER 235 HB3 0.01 0.20 0.08 -0.04 3.93 4.17 2ze1A1 MET 236 H -0.00 0.31 0.16 -0.55 8.47 8.40 2ze1A1 MET 236 HA 0.04 0.30 1.06 -0.75 4.52 5.17 2ze1A1 MET 236 HB2 -0.04 -0.02 -0.00 -0.04 2.15 2.04 2ze1A1 MET 236 HB3 -0.02 0.05 0.14 -0.04 2.03 2.16 2ze1A1 MET 236 HG2 -0.00 -0.05 -0.32 -0.04 2.63 2.22 2ze1A1 MET 236 HG3 -0.02 0.06 -0.04 -0.04 2.56 2.51 2ze1A1 MET 236 HE3 -0.42 -0.01 -0.10 -0.04 2.10 1.53 2ze1A1 ILE 237 H 0.11 0.51 0.14 -0.55 8.25 8.46 2ze1A1 ILE 237 HA 0.05 0.17 0.89 -0.75 4.18 4.54 2ze1A1 ILE 237 HB 0.16 -0.03 0.07 -0.04 1.89 2.06 2ze1A1 ILE 237 HG12 -0.01 0.07 -0.28 -0.04 1.49 1.24 2ze1A1 ILE 237 HG13 0.07 -0.05 -0.37 -0.04 1.21 0.83 2ze1A1 ILE 237 HG23 0.04 -0.01 -0.32 -0.04 0.93 0.60 2ze1A1 ILE 237 HD13 0.01 -0.02 -0.13 -0.04 0.88 0.70 2ze1A1 ILE 238 H 0.08 0.26 0.16 -0.55 8.25 8.21 2ze1A1 ILE 238 HA 0.29 0.05 0.83 -0.75 4.18 4.59 2ze1A1 ILE 238 HB 0.10 0.01 0.18 -0.04 1.89 2.14 2ze1A1 ILE 238 HG12 0.21 -0.01 -0.02 -0.04 1.49 1.63 2ze1A1 ILE 238 HG13 0.09 -0.04 -0.13 -0.04 1.21 1.08 2ze1A1 ILE 238 HG23 0.22 0.01 -0.06 -0.04 0.93 1.06 2ze1A1 ILE 238 HD13 0.07 0.01 0.02 -0.04 0.88 0.94 2ze1A1 GLY 239 H 0.31 0.67 0.43 -0.55 8.43 9.29 2ze1A1 GLY 239 HA2 0.18 0.23 0.40 -0.51 4.01 4.31 2ze1A1 GLY 239 HA3 0.12 0.03 0.51 -0.51 4.01 4.16 2ze1A1 GLY 240 H 0.15 0.21 -0.30 -0.55 8.43 7.94 2ze1A1 GLY 240 HA2 0.12 0.03 0.16 -0.51 4.01 3.81 2ze1A1 GLY 240 HA3 0.15 0.13 0.29 -0.51 4.01 4.06 2ze1A1 ILE 241 H 0.19 0.25 0.01 -0.55 8.25 8.15 2ze1A1 ILE 241 HA 0.24 0.13 0.70 -0.75 4.18 4.51 2ze1A1 ILE 241 HB 0.14 0.01 0.02 -0.04 1.89 2.02 2ze1A1 ILE 241 HG12 -0.01 0.04 -0.25 -0.04 1.49 1.23 2ze1A1 ILE 241 HG13 0.07 -0.09 -0.38 -0.04 1.21 0.77 2ze1A1 ILE 241 HG23 0.13 0.00 -0.31 -0.04 0.93 0.71 2ze1A1 ILE 241 HD13 0.04 0.01 -0.14 -0.04 0.88 0.75 2ze1A1 ASP 242 H 0.29 0.21 -0.02 -0.55 8.40 8.33 2ze1A1 ASP 242 HA 0.37 0.13 0.74 -0.75 4.63 5.12 2ze1A1 ASP 242 HB2 0.04 0.06 -0.03 -0.04 2.71 2.74 2ze1A1 ASP 242 HB3 -0.01 -0.00 0.10 -0.04 2.70 2.75 2ze1A1 HIS 243 H 0.41 0.25 0.10 -0.55 8.41 8.63 2ze1A1 HIS 243 HA -0.15 0.11 0.26 -0.75 4.63 4.09 2ze1A1 HIS 243 HB2 -0.04 -0.01 0.08 -0.04 3.26 3.24 2ze1A1 HIS 243 HB3 -0.20 0.07 0.03 -0.04 3.20 3.07 2ze1A1 HIS 243 HD2 0.00 0.03 -0.02 -0.04 6.97 6.94 2ze1A1 HIS 243 HE1 0.12 0.01 -0.02 -0.04 7.75 7.82 2ze1A1 SER 244 H 0.06 0.01 -0.28 -0.55 8.46 7.71 2ze1A1 SER 244 HA -0.08 0.20 0.55 -0.75 4.49 4.40 2ze1A1 SER 244 HB2 -0.01 0.06 0.09 -0.04 3.95 4.05 2ze1A1 SER 244 HB3 0.03 -0.03 0.05 -0.04 3.93 3.94 2ze1A1 LEU 245 H -0.18 0.32 -0.45 -0.55 8.37 7.51 2ze1A1 LEU 245 HA -0.15 0.12 0.58 -0.75 4.35 4.15 2ze1A1 LEU 245 HB2 -0.80 0.20 0.05 -0.04 1.64 1.04 2ze1A1 LEU 245 HB3 -0.52 -0.05 0.05 -0.04 1.64 1.08 2ze1A1 LEU 245 HG -0.13 -0.08 -0.05 -0.04 1.64 1.33 2ze1A1 LEU 245 HD13 -0.02 -0.02 -0.05 -0.04 0.93 0.80 2ze1A1 LEU 245 HD23 -0.07 0.01 -0.11 -0.04 0.89 0.68 2ze1A1 TYR 246 H -0.30 0.28 -0.25 -0.55 8.29 7.46 2ze1A1 TYR 246 HA -0.10 0.10 0.90 -0.75 4.56 4.71 2ze1A1 TYR 246 HB2 0.02 0.20 -0.10 -0.04 3.06 3.14 2ze1A1 TYR 246 HB3 -0.11 -0.11 -0.26 -0.04 2.98 2.46 2ze1A1 TYR 246 HD2 -0.17 0.07 -0.40 -0.04 7.15 6.61 2ze1A1 TYR 246 HE2 -0.20 0.04 -0.24 -0.04 6.85 6.42 2ze1A1 THR 247 H 0.13 0.82 0.14 -0.55 8.28 8.82 2ze1A1 THR 247 HA -0.06 0.10 0.82 -0.75 4.39 4.50 2ze1A1 THR 247 HB -0.04 0.07 -0.15 -0.04 4.32 4.16 2ze1A1 THR 247 HG23 -0.02 -0.03 -0.13 -0.04 1.22 1.00 2ze1A1 GLY 248 H 0.01 0.12 0.11 -0.55 8.43 8.12 2ze1A1 GLY 248 HA2 0.06 0.00 0.33 -0.51 4.01 3.90 2ze1A1 GLY 248 HA3 0.09 0.01 0.34 -0.51 4.01 3.94 2ze1A1 SER 249 H 0.16 0.15 0.26 -0.55 8.46 8.48 2ze1A1 SER 249 HA 0.05 0.05 0.50 -0.75 4.49 4.34 2ze1A1 SER 249 HB2 0.22 0.03 -0.08 -0.04 3.95 4.08 2ze1A1 SER 249 HB3 0.10 -0.01 0.05 -0.04 3.93 4.02 2ze1A1 LEU 250 H -0.12 0.12 0.15 -0.55 8.37 7.98 2ze1A1 LEU 250 HA -0.27 0.30 0.78 -0.75 4.35 4.40 2ze1A1 LEU 250 HB2 -0.21 -0.02 0.11 -0.04 1.64 1.48 2ze1A1 LEU 250 HB3 -0.46 -0.04 -0.09 -0.04 1.64 1.00 2ze1A1 LEU 250 HG -0.99 0.05 -0.18 -0.04 1.64 0.48 2ze1A1 LEU 250 HD13 -0.25 -0.02 -0.14 -0.04 0.93 0.48 2ze1A1 LEU 250 HD23 -0.59 -0.00 -0.34 -0.04 0.89 -0.08 2ze1A1 TRP 251 H -0.16 0.84 0.33 -0.55 7.97 8.44 2ze1A1 TRP 251 HA -0.41 0.11 0.90 -0.75 4.62 4.46 2ze1A1 TRP 251 HB2 -0.76 0.10 0.06 -0.04 3.23 2.59 2ze1A1 TRP 251 HB3 -2.09 0.01 -0.12 -0.04 3.23 0.99 2ze1A1 TRP 251 HD1 -0.14 0.20 -0.27 -0.04 7.22 6.97 2ze1A1 TRP 251 HE1 -0.04 0.00 -0.09 -0.04 10.20 10.03 2ze1A1 TRP 251 HE3 -0.26 0.03 -0.06 -0.04 7.59 7.25 2ze1A1 TRP 251 HZ2 -0.03 0.14 -0.24 -0.04 7.44 7.27 2ze1A1 TRP 251 HZ3 0.04 -0.05 -0.02 -0.04 7.13 7.05 2ze1A1 TRP 251 HH2 -0.01 0.01 -0.13 -0.04 7.19 7.03 2ze1A1 TYR 252 H -0.05 0.13 0.13 -0.55 8.29 7.95 2ze1A1 TYR 252 HA -0.02 0.35 0.96 -0.75 4.56 5.10 2ze1A1 TYR 252 HB2 -0.07 -0.06 0.02 -0.04 3.06 2.92 2ze1A1 TYR 252 HB3 -0.02 0.05 -0.23 -0.04 2.98 2.74 2ze1A1 TYR 252 HD2 -0.18 0.01 -0.32 -0.04 7.15 6.62 2ze1A1 TYR 252 HE2 -0.19 -0.01 -0.14 -0.04 6.85 6.47 2ze1A1 THR 253 H 0.33 0.67 0.31 -0.55 8.28 9.04 2ze1A1 THR 253 HA 0.36 0.38 0.85 -0.75 4.39 5.22 2ze1A1 THR 253 HB 0.42 -0.06 -0.04 -0.04 4.32 4.59 2ze1A1 THR 253 HG23 0.25 0.02 -0.02 -0.04 1.22 1.43 2ze1A1 PRO 254 HA 0.11 0.12 0.65 -0.51 4.44 4.80 2ze1A1 PRO 254 HB2 0.08 0.06 -0.15 -0.04 2.28 2.23 2ze1A1 PRO 254 HB3 0.08 0.05 0.08 -0.04 2.02 2.20 2ze1A1 PRO 254 HG2 0.10 -0.07 -0.00 -0.04 2.03 2.02 2ze1A1 PRO 254 HG3 0.10 0.09 -0.01 -0.04 2.03 2.16 2ze1A1 PRO 254 HD2 0.16 0.18 0.08 -0.04 3.68 4.05 2ze1A1 PRO 254 HD3 0.18 0.10 -0.27 -0.04 3.65 3.61 2ze1A1 ILE 255 H 0.11 0.43 -0.07 -0.55 8.25 8.17 2ze1A1 ILE 255 HA 0.17 0.25 0.68 -0.75 4.18 4.52 2ze1A1 ILE 255 HB 0.13 -0.01 -0.08 -0.04 1.89 1.89 2ze1A1 ILE 255 HG12 0.32 -0.01 -0.16 -0.04 1.49 1.60 2ze1A1 ILE 255 HG13 0.15 -0.04 -0.32 -0.04 1.21 0.96 2ze1A1 ILE 255 HG23 0.18 -0.05 -0.19 -0.04 0.93 0.83 2ze1A1 ILE 255 HD13 0.33 -0.03 -0.20 -0.04 0.88 0.94 2ze1A1 ARG 256 H 0.16 0.68 0.22 -0.55 8.46 8.96 2ze1A1 ARG 256 HA 0.08 0.06 0.27 -0.75 4.34 3.99 2ze1A1 ARG 256 HB2 0.13 0.01 -0.07 -0.04 1.90 1.93 2ze1A1 ARG 256 HB3 0.19 -0.06 -0.01 -0.04 1.80 1.87 2ze1A1 ARG 256 HG2 0.08 -0.02 -0.17 -0.04 1.67 1.52 2ze1A1 ARG 256 HG3 0.07 0.00 0.00 -0.04 1.67 1.71 2ze1A1 ARG 256 HD2 0.11 0.00 -0.09 -0.04 3.22 3.20 2ze1A1 ARG 256 HD3 0.15 0.00 -0.05 -0.04 3.22 3.28 2ze1A1 ARG 257 H 0.20 0.24 0.00 -0.55 8.46 8.35 2ze1A1 ARG 257 HA -0.02 0.14 0.63 -0.75 4.34 4.34 2ze1A1 ARG 257 HB2 -0.07 0.11 -0.19 -0.04 1.90 1.71 2ze1A1 ARG 257 HB3 0.08 -0.07 -0.04 -0.04 1.80 1.73 2ze1A1 ARG 257 HG2 -0.36 -0.05 -0.32 -0.04 1.67 0.90 2ze1A1 ARG 257 HG3 -0.21 0.01 0.00 -0.04 1.67 1.44 2ze1A1 ARG 257 HD2 -0.36 0.03 -0.04 -0.04 3.22 2.80 2ze1A1 ARG 257 HD3 -0.66 -0.00 -0.07 -0.04 3.22 2.45 2ze1A1 GLU 258 H -0.12 0.19 0.05 -0.55 8.60 8.17 2ze1A1 GLU 258 HA -0.46 0.19 0.71 -0.75 4.29 3.97 2ze1A1 GLU 258 HB2 -0.36 -0.01 0.21 -0.04 2.09 1.89 2ze1A1 GLU 258 HB3 -1.36 -0.02 0.10 -0.04 1.99 0.67 2ze1A1 GLU 258 HG2 -0.60 0.03 -0.04 -0.04 2.34 1.68 2ze1A1 GLU 258 HG3 -0.22 0.00 -0.08 -0.04 2.34 2.00 2ze1A1 TRP 259 H 0.51 0.55 0.01 -0.55 7.97 8.49 2ze1A1 TRP 259 HA -0.01 -0.02 0.49 -0.75 4.62 4.33 2ze1A1 TRP 259 HB2 -0.06 0.02 -0.03 -0.04 3.23 3.11 2ze1A1 TRP 259 HB3 -0.01 0.06 -0.06 -0.04 3.23 3.18 2ze1A1 TRP 259 HD1 0.06 0.26 -0.11 -0.04 7.22 7.39 2ze1A1 TRP 259 HE1 0.11 0.01 -0.01 -0.04 10.20 10.28 2ze1A1 TRP 259 HE3 0.11 0.02 -0.09 -0.04 7.59 7.58 2ze1A1 TRP 259 HZ2 0.09 0.06 -0.02 -0.04 7.44 7.52 2ze1A1 TRP 259 HZ3 0.17 0.02 -0.05 -0.04 7.13 7.23 2ze1A1 TRP 259 HH2 0.09 0.05 -0.05 -0.04 7.19 7.24 2ze1A1 TYR 260 H -0.95 0.12 0.09 -0.55 8.29 6.99 2ze1A1 TYR 260 HA -0.17 0.14 0.68 -0.75 4.56 4.45 2ze1A1 TYR 260 HB2 -0.75 -0.01 -0.05 -0.04 3.06 2.21 2ze1A1 TYR 260 HB3 -0.24 0.02 0.01 -0.04 2.98 2.73 2ze1A1 TYR 260 HD2 -1.41 -0.04 -0.01 -0.04 7.15 5.65 2ze1A1 TYR 260 HE2 -0.40 0.08 -0.03 -0.04 6.85 6.46 2ze1A1 TYR 261 H 0.26 0.27 0.12 -0.55 8.29 8.39 2ze1A1 TYR 261 HA 0.30 0.15 0.82 -0.75 4.56 5.08 2ze1A1 TYR 261 HB2 0.24 0.09 0.29 -0.04 3.06 3.64 2ze1A1 TYR 261 HB3 0.20 0.01 0.09 -0.04 2.98 3.24 2ze1A1 TYR 261 HD2 0.20 0.13 0.06 -0.04 7.15 7.51 2ze1A1 TYR 261 HE2 -0.01 -0.04 -0.21 -0.04 6.85 6.56 2ze1A1 GLU 262 H 0.27 0.39 0.04 -0.55 8.60 8.75 2ze1A1 GLU 262 HA 0.13 0.25 0.73 -0.75 4.29 4.65 2ze1A1 GLU 262 HB2 0.33 -0.07 0.03 -0.04 2.09 2.34 2ze1A1 GLU 262 HB3 0.40 -0.11 0.20 -0.04 1.99 2.44 2ze1A1 GLU 262 HG2 0.21 0.12 -0.08 -0.04 2.34 2.55 2ze1A1 GLU 262 HG3 0.21 0.00 0.14 -0.04 2.34 2.65 2ze1A1 VAL 263 H 0.11 0.61 0.36 -0.55 8.24 8.78 2ze1A1 VAL 263 HA 0.12 0.29 0.85 -0.75 4.13 4.63 2ze1A1 VAL 263 HB 0.08 -0.06 0.06 -0.04 2.12 2.16 2ze1A1 VAL 263 HG13 0.13 0.05 -0.32 -0.04 0.97 0.80 2ze1A1 VAL 263 HG23 0.06 -0.01 -0.26 -0.04 0.95 0.70 2ze1A1 ILE 264 H 0.06 0.26 0.13 -0.55 8.25 8.16 2ze1A1 ILE 264 HA 0.07 0.14 0.89 -0.75 4.18 4.52 2ze1A1 ILE 264 HB 0.07 0.02 0.06 -0.04 1.89 2.00 2ze1A1 ILE 264 HG12 0.10 0.01 -0.09 -0.04 1.49 1.48 2ze1A1 ILE 264 HG13 0.10 0.06 -0.44 -0.04 1.21 0.89 2ze1A1 ILE 264 HG23 0.07 0.00 -0.32 -0.04 0.93 0.63 2ze1A1 ILE 264 HD13 0.08 0.01 -0.06 -0.04 0.88 0.88 2ze1A1 ILE 265 H 0.05 0.20 0.02 -0.55 8.25 7.97 2ze1A1 ILE 265 HA -0.07 0.21 0.89 -0.75 4.18 4.46 2ze1A1 ILE 265 HB 0.04 -0.01 0.00 -0.04 1.89 1.88 2ze1A1 ILE 265 HG12 -0.13 0.04 -0.15 -0.04 1.49 1.20 2ze1A1 ILE 265 HG13 -0.03 -0.10 -0.24 -0.04 1.21 0.79 2ze1A1 ILE 265 HG23 -0.22 -0.00 -0.14 -0.04 0.93 0.52 2ze1A1 ILE 265 HD13 -0.04 0.02 -0.09 -0.04 0.88 0.74 2ze1A1 VAL 266 H -0.03 0.57 0.26 -0.55 8.24 8.49 2ze1A1 VAL 266 HA 0.09 0.14 0.63 -0.75 4.13 4.23 2ze1A1 VAL 266 HB 0.02 -0.02 -0.04 -0.04 2.12 2.04 2ze1A1 VAL 266 HG13 0.03 0.01 -0.18 -0.04 0.97 0.79 2ze1A1 VAL 266 HG23 -0.01 0.02 -0.29 -0.04 0.95 0.63 2ze1A1 ARG 267 H -0.09 0.33 0.17 -0.55 8.46 8.32 2ze1A1 ARG 267 HA -0.07 0.06 0.21 -0.75 4.34 3.79 2ze1A1 ARG 267 HB2 -0.18 -0.06 0.09 -0.04 1.90 1.71 2ze1A1 ARG 267 HB3 -0.09 0.24 0.12 -0.04 1.80 2.02 2ze1A1 ARG 267 HG2 -0.44 0.03 -0.24 -0.04 1.67 0.98 2ze1A1 ARG 267 HG3 -0.60 -0.08 -0.13 -0.04 1.67 0.82 2ze1A1 ARG 267 HD2 -1.92 -0.01 -0.21 -0.04 3.22 1.05 2ze1A1 ARG 267 HD3 -0.60 -0.02 -0.27 -0.04 3.22 2.29 2ze1A1 VAL 268 H -0.37 0.16 0.16 -0.55 8.24 7.64 2ze1A1 VAL 268 HA -0.11 0.36 0.85 -0.75 4.13 4.48 2ze1A1 VAL 268 HB -0.23 0.11 0.14 -0.04 2.12 2.09 2ze1A1 VAL 268 HG13 -0.93 -0.01 -0.19 -0.04 0.97 -0.20 2ze1A1 VAL 268 HG23 -0.11 0.00 -0.20 -0.04 0.95 0.61 2ze1A1 GLU 269 H -0.01 0.52 0.25 -0.55 8.60 8.82 2ze1A1 GLU 269 HA -0.03 0.29 0.73 -0.75 4.29 4.53 2ze1A1 GLU 269 HB2 0.01 -0.14 -0.43 -0.04 2.09 1.49 2ze1A1 GLU 269 HB3 -0.03 0.01 -0.69 -0.04 1.99 1.23 2ze1A1 GLU 269 HG2 -0.01 -0.07 -0.35 -0.04 2.34 1.86 2ze1A1 GLU 269 HG3 0.15 -0.02 -0.07 -0.04 2.34 2.36 2ze1A1 ILE 270 H 0.00 0.68 0.15 -0.55 8.25 8.54 2ze1A1 ILE 270 HA 0.03 0.27 0.95 -0.75 4.18 4.67 2ze1A1 ILE 270 HB 0.02 0.02 0.13 -0.04 1.89 2.01 2ze1A1 ILE 270 HG12 -0.01 -0.08 -0.16 -0.04 1.49 1.21 2ze1A1 ILE 270 HG13 -0.01 0.05 -0.01 -0.04 1.21 1.20 2ze1A1 ILE 270 HG23 0.06 0.02 -0.17 -0.04 0.93 0.80 2ze1A1 ILE 270 HD13 -0.02 0.02 -0.13 -0.04 0.88 0.72 2ze1A1 ASN 271 H 0.07 0.69 0.18 -0.55 8.53 8.92 2ze1A1 ASN 271 HA 0.07 -0.03 0.35 -0.75 4.76 4.39 2ze1A1 ASN 271 HB2 0.07 0.06 -0.16 -0.04 2.88 2.81 2ze1A1 ASN 271 HB3 0.05 0.04 0.31 -0.04 2.79 3.15 2ze1A1 ASN 271 HD21 0.08 0.09 -0.01 -0.04 7.03 7.16 2ze1A1 ASN 271 HD22 0.06 0.03 0.04 -0.04 7.74 7.84 2ze1A1 GLY 272 H 0.03 0.07 -0.28 -0.55 8.43 7.70 2ze1A1 GLY 272 HA2 0.02 -0.04 0.17 -0.51 4.01 3.65 2ze1A1 GLY 272 HA3 0.03 0.11 0.36 -0.51 4.01 4.00 2ze1A1 GLN 273 H 0.02 0.42 -0.83 -0.55 8.47 7.53 2ze1A1 GLN 273 HA -0.00 0.10 0.84 -0.75 4.36 4.54 2ze1A1 GLN 273 HB2 0.01 0.02 0.02 -0.04 2.15 2.15 2ze1A1 GLN 273 HB3 0.01 0.26 0.17 -0.04 2.02 2.42 2ze1A1 GLN 273 HG2 -0.00 -0.01 -0.02 -0.04 2.40 2.33 2ze1A1 GLN 273 HG3 -0.00 0.02 -0.30 -0.04 2.39 2.07 2ze1A1 GLN 273 HE21 -0.01 -0.05 -0.00 -0.04 6.97 6.87 2ze1A1 GLN 273 HE22 -0.00 -0.00 -0.01 -0.04 7.69 7.63 2ze1A1 ASP 274 H -0.03 0.19 0.14 -0.55 8.40 8.15 2ze1A1 ASP 274 HA -0.05 0.10 0.50 -0.75 4.63 4.42 2ze1A1 ASP 274 HB2 -0.07 0.06 0.10 -0.04 2.71 2.76 2ze1A1 ASP 274 HB3 -0.03 0.04 0.11 -0.04 2.70 2.78 2ze1A1 LEU 275 H 0.01 0.54 0.39 -0.55 8.37 8.76 2ze1A1 LEU 275 HA 0.02 0.16 0.55 -0.75 4.35 4.33 2ze1A1 LEU 275 HB2 0.17 -0.04 0.15 -0.04 1.64 1.88 2ze1A1 LEU 275 HB3 0.11 -0.05 0.06 -0.04 1.64 1.72 2ze1A1 LEU 275 HG 0.01 0.05 -0.08 -0.04 1.64 1.58 2ze1A1 LEU 275 HD13 0.09 -0.02 -0.06 -0.04 0.93 0.90 2ze1A1 LEU 275 HD23 0.00 0.02 -0.12 -0.04 0.89 0.75 2ze1A1 LYS 276 H 0.03 -0.00 -0.22 -0.55 8.42 7.68 2ze1A1 LYS 276 HA 0.01 0.01 0.23 -0.75 4.32 3.81 2ze1A1 LYS 276 HB2 -0.01 0.13 -0.07 -0.04 1.87 1.88 2ze1A1 LYS 276 HB3 -0.01 -0.03 0.13 -0.04 1.79 1.83 2ze1A1 LYS 276 HG2 -0.02 -0.05 -0.04 -0.04 1.46 1.31 2ze1A1 LYS 276 HG3 -0.01 0.16 -0.37 -0.04 1.46 1.19 2ze1A1 LYS 276 HD2 -0.01 0.04 -0.10 -0.04 1.69 1.58 2ze1A1 LYS 276 HD3 -0.01 -0.05 -0.03 -0.04 1.68 1.55 2ze1A1 LYS 276 HE2 -0.01 -0.03 -0.01 -0.04 2.99 2.90 2ze1A1 LYS 276 HE3 -0.01 -0.06 -0.00 -0.04 2.99 2.88 2ze1A1 MET 277 H 0.07 -0.04 -0.38 -0.55 8.47 7.58 2ze1A1 MET 277 HA -0.08 0.16 0.65 -0.75 4.52 4.48 2ze1A1 MET 277 HB2 -0.41 -0.05 -0.12 -0.04 2.15 1.53 2ze1A1 MET 277 HB3 -0.25 -0.03 0.01 -0.04 2.03 1.71 2ze1A1 MET 277 HG2 -0.05 0.03 -0.06 -0.04 2.63 2.51 2ze1A1 MET 277 HG3 0.01 0.14 -0.19 -0.04 2.56 2.48 2ze1A1 MET 277 HE3 -0.08 -0.03 -0.18 -0.04 2.10 1.77 2ze1A1 ASP 278 H -0.14 0.12 0.13 -0.55 8.40 7.97 2ze1A1 ASP 278 HA -0.09 0.11 0.56 -0.75 4.63 4.45 2ze1A1 ASP 278 HB2 -0.08 0.09 0.16 -0.04 2.71 2.84 2ze1A1 ASP 278 HB3 -0.11 -0.06 0.14 -0.04 2.70 2.63 2ze1A1 CYS 279 H -0.07 0.22 0.23 -0.55 8.50 8.33 2ze1A1 CYS 279 HA -0.02 0.13 0.39 -0.75 4.58 4.33 2ze1A1 CYS 279 HB2 0.00 0.02 0.22 -0.04 2.97 3.17 2ze1A1 CYS 279 HB3 0.02 -0.06 0.04 -0.04 2.97 2.93 2ze1A1 LYS 280 H -0.04 0.03 -0.38 -0.55 8.42 7.47 2ze1A1 LYS 280 HA 0.10 0.42 0.35 -0.75 4.32 4.44 2ze1A1 LYS 280 HB2 0.03 -0.05 -0.06 -0.04 1.87 1.75 2ze1A1 LYS 280 HB3 0.25 0.01 -0.12 -0.04 1.79 1.89 2ze1A1 LYS 280 HG2 0.07 0.13 -0.29 -0.04 1.46 1.33 2ze1A1 LYS 280 HG3 0.02 -0.09 -0.03 -0.04 1.46 1.32 2ze1A1 LYS 280 HD2 0.00 -0.03 -0.04 -0.04 1.69 1.58 2ze1A1 LYS 280 HD3 0.03 0.00 -0.08 -0.04 1.68 1.59 2ze1A1 LYS 280 HE2 -0.04 -0.00 -0.04 -0.04 2.99 2.87 2ze1A1 LYS 280 HE3 -0.01 0.13 -0.10 -0.04 2.99 2.97 2ze1A1 GLU 281 H -0.19 0.50 -0.23 -0.55 8.60 8.14 2ze1A1 GLU 281 HA -0.09 0.02 0.45 -0.75 4.29 3.92 2ze1A1 GLU 281 HB2 -0.43 0.17 -0.00 -0.04 2.09 1.79 2ze1A1 GLU 281 HB3 -0.15 -0.10 -0.02 -0.04 1.99 1.68 2ze1A1 GLU 281 HG2 -0.17 -0.02 0.05 -0.04 2.34 2.15 2ze1A1 GLU 281 HG3 -0.18 -0.03 0.03 -0.04 2.34 2.12 2ze1A1 TYR 282 H -0.21 0.35 -0.34 -0.55 8.29 7.54 2ze1A1 TYR 282 HA 0.02 0.01 0.41 -0.75 4.56 4.25 2ze1A1 TYR 282 HB2 0.01 0.36 0.04 -0.04 3.06 3.43 2ze1A1 TYR 282 HB3 -0.00 -0.07 -0.02 -0.04 2.98 2.84 2ze1A1 TYR 282 HD2 -0.01 0.12 -0.21 -0.04 7.15 7.01 2ze1A1 TYR 282 HE2 -0.03 0.06 -0.10 -0.04 6.85 6.74 2ze1A1 ASN 283 H 0.13 0.28 -0.40 -0.55 8.53 7.99 2ze1A1 ASN 283 HA 0.08 0.13 0.58 -0.75 4.76 4.80 2ze1A1 ASN 283 HB2 0.15 0.19 0.14 -0.04 2.88 3.32 2ze1A1 ASN 283 HB3 0.12 -0.09 0.14 -0.04 2.79 2.93 2ze1A1 ASN 283 HD21 0.13 0.38 0.04 -0.04 7.03 7.54 2ze1A1 ASN 283 HD22 0.13 0.26 0.05 -0.04 7.74 8.14 2ze1A1 TYR 284 H 0.09 0.26 -0.46 -0.55 8.29 7.63 2ze1A1 TYR 284 HA -0.55 0.05 0.37 -0.75 4.56 3.67 2ze1A1 TYR 284 HB2 -0.20 -0.00 0.15 -0.04 3.06 2.97 2ze1A1 TYR 284 HB3 -0.16 0.02 0.22 -0.04 2.98 3.02 2ze1A1 TYR 284 HD2 -1.08 -0.04 0.01 -0.04 7.15 5.99 2ze1A1 TYR 284 HE2 -0.08 -0.02 -0.01 -0.04 6.85 6.71 2ze1A1 ASP 285 H -0.49 0.22 0.27 -0.55 8.40 7.86 2ze1A1 ASP 285 HA 0.06 0.01 0.40 -0.75 4.63 4.35 2ze1A1 ASP 285 HB2 -0.40 -0.07 0.05 -0.04 2.71 2.26 2ze1A1 ASP 285 HB3 -0.33 0.25 0.50 -0.04 2.70 3.07 2ze1A1 LYS 286 H -0.06 0.21 -0.49 -0.55 8.42 7.53 2ze1A1 LYS 286 HA 0.13 0.06 0.36 -0.75 4.32 4.12 2ze1A1 LYS 286 HB2 0.22 -0.06 0.19 -0.04 1.87 2.18 2ze1A1 LYS 286 HB3 0.22 0.22 -0.16 -0.04 1.79 2.03 2ze1A1 LYS 286 HG2 -0.13 0.02 -0.54 -0.04 1.46 0.78 2ze1A1 LYS 286 HG3 -0.21 -0.08 -0.17 -0.04 1.46 0.96 2ze1A1 LYS 286 HD2 -0.02 -0.02 -0.26 -0.04 1.69 1.36 2ze1A1 LYS 286 HD3 -0.17 0.23 -0.13 -0.04 1.68 1.56 2ze1A1 LYS 286 HE2 -0.77 -0.05 -0.15 -0.04 2.99 1.98 2ze1A1 LYS 286 HE3 -0.90 -0.07 -0.10 -0.04 2.99 1.87 2ze1A1 SER 287 H 0.08 0.28 0.25 -0.55 8.46 8.52 2ze1A1 SER 287 HA -0.02 0.33 0.98 -0.75 4.49 5.03 2ze1A1 SER 287 HB2 0.06 0.16 0.11 -0.04 3.95 4.24 2ze1A1 SER 287 HB3 0.02 -0.01 -0.05 -0.04 3.93 3.85 2ze1A1 ILE 288 H -0.04 0.63 0.26 -0.55 8.25 8.55 2ze1A1 ILE 288 HA 0.05 0.28 1.06 -0.75 4.18 4.82 2ze1A1 ILE 288 HB 0.01 -0.01 -0.09 -0.04 1.89 1.77 2ze1A1 ILE 288 HG12 -0.17 0.17 -0.04 -0.04 1.49 1.41 2ze1A1 ILE 288 HG13 -0.04 -0.13 -0.27 -0.04 1.21 0.72 2ze1A1 ILE 288 HG23 -0.34 -0.01 -0.33 -0.04 0.93 0.21 2ze1A1 ILE 288 HD13 -0.22 -0.01 -0.15 -0.04 0.88 0.45 2ze1A1 VAL 289 H 0.17 0.54 0.23 -0.55 8.24 8.64 2ze1A1 VAL 289 HA 0.11 0.21 0.87 -0.75 4.13 4.56 2ze1A1 VAL 289 HB 0.20 -0.03 0.17 -0.04 2.12 2.42 2ze1A1 VAL 289 HG13 0.11 -0.00 -0.10 -0.04 0.97 0.93 2ze1A1 VAL 289 HG23 0.10 0.02 -0.09 -0.04 0.95 0.94 2ze1A1 ASP 290 H 0.09 0.74 0.00 -0.55 8.40 8.68 2ze1A1 ASP 290 HA 0.10 0.02 0.81 -0.75 4.63 4.80 2ze1A1 ASP 290 HB2 0.05 0.07 -0.35 -0.04 2.71 2.44 2ze1A1 ASP 290 HB3 0.02 0.07 -0.11 -0.04 2.70 2.63 2ze1A1 SER 291 H 0.02 0.08 0.11 -0.55 8.46 8.12 2ze1A1 SER 291 HA 0.03 0.16 0.46 -0.75 4.49 4.39 2ze1A1 SER 291 HB2 -0.05 0.10 0.11 -0.04 3.95 4.06 2ze1A1 SER 291 HB3 -0.04 0.04 0.07 -0.04 3.93 3.95 2ze1A1 GLY 292 H -0.01 -0.14 -0.24 -0.55 8.43 7.49 2ze1A1 GLY 292 HA2 -0.06 0.20 0.51 -0.51 4.01 4.15 2ze1A1 GLY 292 HA3 -0.07 -0.07 0.25 -0.51 4.01 3.62 2ze1A1 THR 293 H 0.02 0.34 -0.44 -0.55 8.28 7.65 2ze1A1 THR 293 HA -0.00 0.17 0.81 -0.75 4.39 4.61 2ze1A1 THR 293 HB 0.01 0.07 0.00 -0.04 4.32 4.36 2ze1A1 THR 293 HG23 -0.01 0.00 -0.13 -0.04 1.22 1.04 2ze1A1 THR 294 H 0.02 0.18 0.09 -0.55 8.28 8.01 2ze1A1 THR 294 HA 0.06 0.05 0.56 -0.75 4.39 4.31 2ze1A1 THR 294 HB 0.02 -0.01 0.13 -0.04 4.32 4.42 2ze1A1 THR 294 HG23 0.05 0.02 -0.02 -0.04 1.22 1.24 2ze1A1 ASN 295 H 0.00 0.01 -0.02 -0.55 8.53 7.98 2ze1A1 ASN 295 HA 0.00 0.22 0.20 -0.75 4.76 4.43 2ze1A1 ASN 295 HB2 -0.03 -0.10 -0.09 -0.04 2.88 2.62 2ze1A1 ASN 295 HB3 -0.05 0.09 -0.19 -0.04 2.79 2.60 2ze1A1 ASN 295 HD21 -0.02 0.13 -0.10 -0.04 7.03 7.00 2ze1A1 ASN 295 HD22 -0.04 -0.06 -0.22 -0.04 7.74 7.37 2ze1A1 LEU 296 H -0.03 0.63 0.34 -0.55 8.37 8.77 2ze1A1 LEU 296 HA -0.00 0.19 0.95 -0.75 4.35 4.73 2ze1A1 LEU 296 HB2 0.01 -0.00 0.12 -0.04 1.64 1.72 2ze1A1 LEU 296 HB3 -0.04 0.02 0.25 -0.04 1.64 1.83 2ze1A1 LEU 296 HG -0.01 -0.05 -0.22 -0.04 1.64 1.32 2ze1A1 LEU 296 HD13 -0.02 0.03 -0.03 -0.04 0.93 0.87 2ze1A1 LEU 296 HD23 -0.03 -0.01 -0.06 -0.04 0.89 0.75 2ze1A1 ARG 297 H -0.02 0.56 0.21 -0.55 8.46 8.65 2ze1A1 ARG 297 HA -0.04 0.37 0.96 -0.75 4.34 4.87 2ze1A1 ARG 297 HB2 -0.05 -0.09 0.12 -0.04 1.90 1.84 2ze1A1 ARG 297 HB3 -0.07 0.03 -0.14 -0.04 1.80 1.57 2ze1A1 ARG 297 HG2 -0.06 0.03 -0.24 -0.04 1.67 1.36 2ze1A1 ARG 297 HG3 -0.04 0.02 -0.25 -0.04 1.67 1.36 2ze1A1 ARG 297 HD2 -0.04 -0.03 -0.10 -0.04 3.22 3.01 2ze1A1 ARG 297 HD3 -0.05 -0.02 -0.09 -0.04 3.22 3.02 2ze1A1 LEU 298 H 0.00 0.58 0.29 -0.55 8.37 8.71 2ze1A1 LEU 298 HA 0.04 0.19 0.85 -0.75 4.35 4.68 2ze1A1 LEU 298 HB2 0.24 -0.04 -0.03 -0.04 1.64 1.77 2ze1A1 LEU 298 HB3 0.13 -0.03 -0.08 -0.04 1.64 1.62 2ze1A1 LEU 298 HG 0.08 0.03 -0.37 -0.04 1.64 1.33 2ze1A1 LEU 298 HD13 0.10 0.00 -0.16 -0.04 0.93 0.83 2ze1A1 LEU 298 HD23 0.02 0.02 -0.16 -0.04 0.89 0.74 2ze1A1 PRO 299 HA 0.01 0.29 0.61 -0.51 4.44 4.84 2ze1A1 PRO 299 HB2 0.14 -0.11 0.10 -0.04 2.28 2.37 2ze1A1 PRO 299 HB3 0.12 0.08 0.17 -0.04 2.02 2.35 2ze1A1 PRO 299 HG2 0.09 0.16 0.09 -0.04 2.03 2.33 2ze1A1 PRO 299 HG3 -0.01 -0.00 -0.02 -0.04 2.03 1.96 2ze1A1 PRO 299 HD2 0.10 0.06 0.20 -0.04 3.68 4.00 2ze1A1 PRO 299 HD3 0.04 0.21 0.08 -0.04 3.65 3.93 2ze1A1 LYS 300 H 0.06 0.36 0.30 -0.55 8.42 8.58 2ze1A1 LYS 300 HA 0.11 0.06 0.43 -0.75 4.32 4.16 2ze1A1 LYS 300 HB2 0.07 0.10 0.23 -0.04 1.87 2.23 2ze1A1 LYS 300 HB3 0.10 -0.09 0.17 -0.04 1.79 1.93 2ze1A1 LYS 300 HG2 0.09 -0.01 -0.04 -0.04 1.46 1.45 2ze1A1 LYS 300 HG3 0.06 0.03 0.06 -0.04 1.46 1.57 2ze1A1 LYS 300 HD2 0.07 0.01 0.04 -0.04 1.69 1.77 2ze1A1 LYS 300 HD3 0.06 -0.01 -0.01 -0.04 1.68 1.67 2ze1A1 LYS 300 HE2 0.04 0.00 0.00 -0.04 2.99 3.00 2ze1A1 LYS 300 HE3 0.05 0.00 0.00 -0.04 2.99 3.00 2ze1A1 LYS 301 H 0.10 0.12 -0.11 -0.55 8.42 7.96 2ze1A1 LYS 301 HA 0.05 0.06 0.30 -0.75 4.32 3.98 2ze1A1 LYS 301 HB2 -0.00 0.00 0.11 -0.04 1.87 1.94 2ze1A1 LYS 301 HB3 -0.00 0.01 0.04 -0.04 1.79 1.80 2ze1A1 LYS 301 HG2 -0.02 0.02 -0.09 -0.04 1.46 1.32 2ze1A1 LYS 301 HG3 -0.01 0.01 0.05 -0.04 1.46 1.47 2ze1A1 LYS 301 HD2 -0.06 0.01 0.01 -0.04 1.69 1.62 2ze1A1 LYS 301 HD3 -0.10 -0.02 0.00 -0.04 1.68 1.53 2ze1A1 LYS 301 HE2 -0.07 0.01 0.01 -0.04 2.99 2.90 2ze1A1 LYS 301 HE3 -0.08 -0.04 -0.01 -0.04 2.99 2.83 2ze1A1 VAL 302 H 0.10 0.18 -0.20 -0.55 8.24 7.78 2ze1A1 VAL 302 HA 0.09 0.03 0.41 -0.75 4.13 3.91 2ze1A1 VAL 302 HB 0.15 0.09 0.01 -0.04 2.12 2.32 2ze1A1 VAL 302 HG13 0.22 -0.01 -0.09 -0.04 0.97 1.05 2ze1A1 VAL 302 HG23 0.14 -0.01 -0.14 -0.04 0.95 0.90 2ze1A1 PHE 303 H 0.23 0.70 -0.22 -0.55 8.34 8.50 2ze1A1 PHE 303 HA 0.04 0.02 0.35 -0.75 4.62 4.27 2ze1A1 PHE 303 HB2 0.03 0.08 -0.08 -0.04 3.15 3.14 2ze1A1 PHE 303 HB3 0.04 0.09 0.05 -0.04 3.06 3.20 2ze1A1 PHE 303 HD2 0.05 -0.00 -0.16 -0.04 7.28 7.12 2ze1A1 PHE 303 HE2 0.14 0.09 -0.21 -0.04 7.38 7.36 2ze1A1 PHE 303 HZ 0.23 0.32 0.07 -0.04 7.32 7.89 2ze1A1 GLU 304 H 0.14 0.55 -0.09 -0.55 8.60 8.65 2ze1A1 GLU 304 HA -0.17 0.02 0.37 -0.75 4.29 3.75 2ze1A1 GLU 304 HB2 0.03 0.12 0.12 -0.04 2.09 2.32 2ze1A1 GLU 304 HB3 -0.02 -0.02 -0.01 -0.04 1.99 1.90 2ze1A1 GLU 304 HG2 0.07 -0.02 0.02 -0.04 2.34 2.38 2ze1A1 GLU 304 HG3 0.19 0.04 0.05 -0.04 2.34 2.59 2ze1A1 ALA 305 H -0.01 0.37 -0.24 -0.55 8.40 7.96 2ze1A1 ALA 305 HA -0.06 0.04 0.52 -0.75 4.34 4.09 2ze1A1 ALA 305 HB3 0.00 0.02 0.10 -0.04 1.41 1.49 2ze1A1 ALA 306 H -0.06 0.62 -0.10 -0.55 8.40 8.31 2ze1A1 ALA 306 HA -0.05 -0.00 0.41 -0.75 4.34 3.95 2ze1A1 ALA 306 HB3 -0.05 0.02 0.07 -0.04 1.41 1.41 2ze1A1 VAL 307 H -0.35 0.68 -0.00 -0.55 8.24 8.01 2ze1A1 VAL 307 HA -0.19 0.03 0.42 -0.75 4.13 3.63 2ze1A1 VAL 307 HB -0.51 -0.05 0.03 -0.04 2.12 1.55 2ze1A1 VAL 307 HG13 -0.34 0.03 0.02 -0.04 0.97 0.64 2ze1A1 VAL 307 HG23 -0.47 0.08 0.03 -0.04 0.95 0.54 2ze1A1 LYS 308 H -0.21 0.43 -0.28 -0.55 8.42 7.80 2ze1A1 LYS 308 HA -0.23 0.00 0.48 -0.75 4.32 3.81 2ze1A1 LYS 308 HB2 -0.13 0.13 0.17 -0.04 1.87 2.00 2ze1A1 LYS 308 HB3 -0.10 0.13 0.13 -0.04 1.79 1.90 2ze1A1 LYS 308 HG2 -0.09 -0.02 -0.04 -0.04 1.46 1.27 2ze1A1 LYS 308 HG3 -0.11 -0.05 0.05 -0.04 1.46 1.32 2ze1A1 LYS 308 HD2 -0.06 -0.02 -0.00 -0.04 1.69 1.57 2ze1A1 LYS 308 HD3 -0.06 0.03 -0.02 -0.04 1.68 1.60 2ze1A1 LYS 308 HE2 -0.04 -0.01 -0.02 -0.04 2.99 2.88 2ze1A1 LYS 308 HE3 -0.05 -0.00 -0.02 -0.04 2.99 2.87 2ze1A1 SER 309 H -0.10 0.45 -0.23 -0.55 8.46 8.04 2ze1A1 SER 309 HA -0.04 0.03 0.52 -0.75 4.49 4.25 2ze1A1 SER 309 HB2 -0.03 0.07 0.13 -0.04 3.95 4.08 2ze1A1 SER 309 HB3 -0.02 0.10 0.12 -0.04 3.93 4.08 2ze1A1 ILE 310 H -0.08 0.42 -0.10 -0.55 8.25 7.94 2ze1A1 ILE 310 HA 0.14 0.07 0.58 -0.75 4.18 4.22 2ze1A1 ILE 310 HB 0.05 0.02 0.12 -0.04 1.89 2.04 2ze1A1 ILE 310 HG12 0.12 -0.01 -0.04 -0.04 1.49 1.52 2ze1A1 ILE 310 HG13 0.04 0.11 0.01 -0.04 1.21 1.33 2ze1A1 ILE 310 HG23 0.64 -0.00 -0.08 -0.04 0.93 1.45 2ze1A1 ILE 310 HD13 0.12 -0.03 -0.16 -0.04 0.88 0.77 2ze1A1 LYS 311 H -0.34 0.68 -0.03 -0.55 8.42 8.17 2ze1A1 LYS 311 HA -0.10 0.05 0.36 -0.75 4.32 3.88 2ze1A1 LYS 311 HB2 -0.38 0.10 0.15 -0.04 1.87 1.70 2ze1A1 LYS 311 HB3 -0.26 -0.05 -0.07 -0.04 1.79 1.37 2ze1A1 LYS 311 HG2 -1.32 -0.04 0.01 -0.04 1.46 0.07 2ze1A1 LYS 311 HG3 -1.70 0.09 0.06 -0.04 1.46 -0.13 2ze1A1 LYS 311 HD2 -0.49 0.00 -0.05 -0.04 1.69 1.11 2ze1A1 LYS 311 HD3 -0.47 -0.04 -0.02 -0.04 1.68 1.11 2ze1A1 LYS 311 HE2 -1.81 -0.04 -0.03 -0.04 2.99 1.07 2ze1A1 LYS 311 HE3 -0.98 0.01 -0.07 -0.04 2.99 1.91 2ze1A1 ALA 312 H -0.08 0.32 -0.37 -0.55 8.40 7.73 2ze1A1 ALA 312 HA -0.03 0.02 0.48 -0.75 4.34 4.06 2ze1A1 ALA 312 HB3 -0.03 0.02 0.09 -0.04 1.41 1.44 2ze1A1 ALA 313 H 0.04 0.35 -0.17 -0.55 8.40 8.08 2ze1A1 ALA 313 HA 0.03 -0.01 0.53 -0.75 4.34 4.14 2ze1A1 ALA 313 HB3 0.09 0.01 0.14 -0.04 1.41 1.61 2ze1A1 SER 314 H 0.12 0.36 -0.31 -0.55 8.46 8.09 2ze1A1 SER 314 HA -0.06 0.22 0.76 -0.75 4.49 4.65 2ze1A1 SER 314 HB2 -0.03 -0.06 0.06 -0.04 3.95 3.88 2ze1A1 SER 314 HB3 0.07 -0.03 -0.04 -0.04 3.93 3.88 2ze1A1 SER 315 H 0.02 0.25 -0.60 -0.55 8.46 7.58 2ze1A1 SER 315 HA 0.02 0.06 0.27 -0.75 4.49 4.08 2ze1A1 SER 315 HB2 -0.01 -0.16 0.00 -0.04 3.95 3.74 2ze1A1 SER 315 HB3 -0.00 0.07 0.16 -0.04 3.93 4.11 2ze1A1 THR 316 H -0.03 0.12 -0.15 -0.55 8.28 7.66 2ze1A1 THR 316 HA -0.05 -0.12 0.39 -0.75 4.39 3.86 2ze1A1 THR 316 HB -0.05 -0.05 0.03 -0.04 4.32 4.21 2ze1A1 THR 316 HG23 -0.03 -0.01 0.05 -0.04 1.22 1.19 2ze1A1 GLU 317 H -0.07 -0.04 0.24 -0.55 8.60 8.18 2ze1A1 GLU 317 HA -0.11 -0.15 0.47 -0.75 4.29 3.74 2ze1A1 GLU 317 HB2 -0.08 0.19 0.14 -0.04 2.09 2.29 2ze1A1 GLU 317 HB3 -0.15 0.02 0.05 -0.04 1.99 1.86 2ze1A1 GLU 317 HG2 -0.07 -0.03 0.09 -0.04 2.34 2.29 2ze1A1 GLU 317 HG3 -0.05 -0.06 -0.01 -0.04 2.34 2.17 2ze1A1 LYS 318 H -0.18 -0.01 0.16 -0.55 8.42 7.84 2ze1A1 LYS 318 HA -0.37 0.35 0.77 -0.75 4.32 4.32 2ze1A1 LYS 318 HB2 -0.05 -0.11 0.07 -0.04 1.87 1.74 2ze1A1 LYS 318 HB3 0.06 -0.02 0.07 -0.04 1.79 1.87 2ze1A1 LYS 318 HG2 0.04 0.13 -0.03 -0.04 1.46 1.56 2ze1A1 LYS 318 HG3 -0.05 0.18 -0.09 -0.04 1.46 1.47 2ze1A1 LYS 318 HD2 -0.00 -0.10 0.00 -0.04 1.69 1.56 2ze1A1 LYS 318 HD3 0.03 -0.04 -0.00 -0.04 1.68 1.63 2ze1A1 LYS 318 HE2 -0.02 0.04 0.00 -0.04 2.99 2.97 2ze1A1 LYS 318 HE3 -0.01 -0.09 -0.01 -0.04 2.99 2.84 2ze1A1 PHE 319 H 0.28 0.18 0.15 -0.55 8.34 8.39 2ze1A1 PHE 319 HA -0.07 0.19 0.82 -0.75 4.62 4.81 2ze1A1 PHE 319 HB2 -0.11 -0.03 -0.02 -0.04 3.15 2.95 2ze1A1 PHE 319 HB3 -0.44 0.00 0.08 -0.04 3.06 2.66 2ze1A1 PHE 319 HD2 0.01 -0.04 -0.05 -0.04 7.28 7.16 2ze1A1 PHE 319 HE2 0.22 0.03 -0.09 -0.04 7.38 7.50 2ze1A1 PHE 319 HZ 0.41 0.02 -0.09 -0.04 7.32 7.61 2ze1A1 PRO 320 HA 0.16 0.12 0.60 -0.51 4.44 4.81 2ze1A1 PRO 320 HB2 0.09 -0.15 0.06 -0.04 2.28 2.24 2ze1A1 PRO 320 HB3 0.07 0.05 0.15 -0.04 2.02 2.25 2ze1A1 PRO 320 HG2 0.01 0.09 0.10 -0.04 2.03 2.19 2ze1A1 PRO 320 HG3 0.03 0.09 0.10 -0.04 2.03 2.20 2ze1A1 PRO 320 HD2 0.03 0.11 0.20 -0.04 3.68 3.98 2ze1A1 PRO 320 HD3 0.04 0.22 0.25 -0.04 3.65 4.12 2ze1A1 ASP 321 H 0.19 0.20 0.19 -0.55 8.40 8.43 2ze1A1 ASP 321 HA 0.60 0.13 0.40 -0.75 4.63 5.01 2ze1A1 ASP 321 HB2 0.20 0.03 0.13 -0.04 2.71 3.03 2ze1A1 ASP 321 HB3 0.22 0.09 0.11 -0.04 2.70 3.08 2ze1A1 GLY 322 H 0.14 0.06 -0.36 -0.55 8.43 7.72 2ze1A1 GLY 322 HA2 0.11 0.15 0.61 -0.51 4.01 4.36 2ze1A1 GLY 322 HA3 0.09 0.07 0.26 -0.51 4.01 3.92 2ze1A1 PHE 323 H 0.16 0.39 -0.19 -0.55 8.34 8.15 2ze1A1 PHE 323 HA -0.11 0.35 0.64 -0.75 4.62 4.75 2ze1A1 PHE 323 HB2 -0.24 0.01 -0.03 -0.04 3.15 2.85 2ze1A1 PHE 323 HB3 -0.38 0.26 0.13 -0.04 3.06 3.02 2ze1A1 PHE 323 HD2 -1.15 0.09 -0.04 -0.04 7.28 6.14 2ze1A1 PHE 323 HE2 -1.25 0.02 -0.14 -0.04 7.38 5.98 2ze1A1 PHE 323 HZ -0.59 0.02 -0.11 -0.04 7.32 6.60 2ze1A1 TRP 324 H -0.01 0.15 -0.13 -0.55 7.97 7.43 2ze1A1 TRP 324 HA -0.78 0.12 0.43 -0.75 4.62 3.63 2ze1A1 TRP 324 HB2 -0.02 0.04 0.06 -0.04 3.23 3.27 2ze1A1 TRP 324 HB3 -0.16 0.00 0.07 -0.04 3.23 3.10 2ze1A1 TRP 324 HD1 0.12 -0.10 -0.12 -0.04 7.22 7.08 2ze1A1 TRP 324 HE1 0.30 0.03 -0.07 -0.04 10.20 10.41 2ze1A1 TRP 324 HE3 -1.28 0.00 0.03 -0.04 7.59 6.30 2ze1A1 TRP 324 HZ2 0.54 0.07 -0.04 -0.04 7.44 7.97 2ze1A1 TRP 324 HZ3 -0.33 -0.01 -0.07 -0.04 7.13 6.68 2ze1A1 TRP 324 HH2 0.37 0.10 -0.20 -0.04 7.19 7.43 2ze1A1 LEU 325 H 0.14 0.10 -0.56 -0.55 8.37 7.51 2ze1A1 LEU 325 HA 0.26 0.15 0.78 -0.75 4.35 4.78 2ze1A1 LEU 325 HB2 0.11 -0.03 0.11 -0.04 1.64 1.80 2ze1A1 LEU 325 HB3 0.10 -0.02 0.18 -0.04 1.64 1.86 2ze1A1 LEU 325 HG 0.20 0.13 0.02 -0.04 1.64 1.95 2ze1A1 LEU 325 HD13 0.10 -0.04 0.00 -0.04 0.93 0.96 2ze1A1 LEU 325 HD23 0.19 -0.00 -0.01 -0.04 0.89 1.03 2ze1A1 GLY 326 H 0.05 0.35 -0.40 -0.55 8.43 7.88 2ze1A1 GLY 326 HA2 0.05 0.11 0.34 -0.51 4.01 3.99 2ze1A1 GLY 326 HA3 0.06 0.05 0.36 -0.51 4.01 3.98 2ze1A1 GLU 327 H 0.05 0.27 -0.11 -0.55 8.60 8.27 2ze1A1 GLU 327 HA 0.04 0.15 0.76 -0.75 4.29 4.48 2ze1A1 GLU 327 HB2 0.06 -0.06 0.16 -0.04 2.09 2.21 2ze1A1 GLU 327 HB3 0.04 -0.06 -0.00 -0.04 1.99 1.92 2ze1A1 GLU 327 HG2 0.04 -0.01 -0.03 -0.04 2.34 2.30 2ze1A1 GLU 327 HG3 0.05 0.16 -0.20 -0.04 2.34 2.31 2ze1A1 GLN 328 H 0.06 0.36 -0.11 -0.55 8.47 8.23 2ze1A1 GLN 328 HA 0.03 0.10 0.57 -0.75 4.36 4.30 2ze1A1 GLN 328 HB2 0.05 -0.08 -0.06 -0.04 2.15 2.01 2ze1A1 GLN 328 HB3 0.08 -0.14 -0.29 -0.04 2.02 1.63 2ze1A1 GLN 328 HG2 -0.00 0.41 -0.05 -0.04 2.40 2.72 2ze1A1 GLN 328 HG3 0.00 -0.03 0.05 -0.04 2.39 2.38 2ze1A1 GLN 328 HE21 -0.02 -0.06 0.05 -0.04 6.97 6.90 2ze1A1 GLN 328 HE22 -0.04 0.12 0.05 -0.04 7.69 7.78 2ze1A1 LEU 329 H 0.01 0.07 0.13 -0.55 8.37 8.02 2ze1A1 LEU 329 HA 0.09 0.31 0.82 -0.75 4.35 4.82 2ze1A1 LEU 329 HB2 -0.04 -0.02 -0.13 -0.04 1.64 1.42 2ze1A1 LEU 329 HB3 0.02 0.07 -0.16 -0.04 1.64 1.52 2ze1A1 LEU 329 HG -0.01 -0.06 0.05 -0.04 1.64 1.57 2ze1A1 LEU 329 HD13 -0.07 -0.02 -0.14 -0.04 0.93 0.66 2ze1A1 LEU 329 HD23 -0.03 0.02 -0.10 -0.04 0.89 0.74 2ze1A1 VAL 330 H -0.08 0.62 0.29 -0.55 8.24 8.52 2ze1A1 VAL 330 HA -0.36 0.12 0.88 -0.75 4.13 4.01 2ze1A1 VAL 330 HB -0.89 -0.01 -0.08 -0.04 2.12 1.11 2ze1A1 VAL 330 HG13 -0.65 0.04 -0.03 -0.04 0.97 0.29 2ze1A1 VAL 330 HG23 -0.90 0.00 -0.10 -0.04 0.95 -0.09 2ze1A1 CYS 331 H -0.50 0.20 0.14 -0.55 8.50 7.79 2ze1A1 CYS 331 HA -0.22 0.23 1.05 -0.75 4.58 4.88 2ze1A1 CYS 331 HB2 -0.20 -0.06 0.04 -0.04 2.97 2.70 2ze1A1 CYS 331 HB3 -0.14 0.16 0.08 -0.04 2.97 3.04 2ze1A1 TRP 332 H 0.26 0.24 0.14 -0.55 7.97 8.06 2ze1A1 TRP 332 HA -0.04 0.15 0.44 -0.75 4.62 4.42 2ze1A1 TRP 332 HB2 -0.05 -0.03 -0.05 -0.04 3.23 3.06 2ze1A1 TRP 332 HB3 -0.05 -0.10 0.10 -0.04 3.23 3.15 2ze1A1 TRP 332 HD1 -0.03 -0.02 -0.01 -0.04 7.22 7.11 2ze1A1 TRP 332 HE1 0.02 0.06 -0.06 -0.04 10.20 10.17 2ze1A1 TRP 332 HE3 0.05 0.00 -0.14 -0.04 7.59 7.46 2ze1A1 TRP 332 HZ2 0.43 0.09 -0.12 -0.04 7.44 7.80 2ze1A1 TRP 332 HZ3 -0.09 0.06 -0.17 -0.04 7.13 6.89 2ze1A1 TRP 332 HH2 -0.18 0.03 -0.16 -0.04 7.19 6.84 2ze1A1 GLN 333 H 0.18 0.14 0.13 -0.55 8.47 8.37 2ze1A1 GLN 333 HA 0.04 0.34 1.21 -0.75 4.36 5.19 2ze1A1 GLN 333 HB2 0.04 -0.02 0.08 -0.04 2.15 2.20 2ze1A1 GLN 333 HB3 0.02 0.01 -0.01 -0.04 2.02 1.99 2ze1A1 GLN 333 HG2 -0.00 0.07 -0.20 -0.04 2.40 2.22 2ze1A1 GLN 333 HG3 -0.00 -0.01 -0.04 -0.04 2.39 2.30 2ze1A1 GLN 333 HE21 -0.03 0.02 0.02 -0.04 6.97 6.94 2ze1A1 GLN 333 HE22 -0.02 -0.02 -0.01 -0.04 7.69 7.61 2ze1A1 ALA 334 H -0.01 0.26 0.12 -0.55 8.40 8.22 2ze1A1 ALA 334 HA -0.04 0.10 0.44 -0.75 4.34 4.09 2ze1A1 ALA 334 HB3 -0.00 0.02 -0.03 -0.04 1.41 1.36 2ze1A1 GLY 335 H 0.02 0.36 0.53 -0.55 8.43 8.79 2ze1A1 GLY 335 HA2 0.06 0.17 0.68 -0.51 4.01 4.40 2ze1A1 GLY 335 HA3 0.04 0.04 0.29 -0.51 4.01 3.86 2ze1A1 THR 336 H 0.01 0.25 0.21 -0.55 8.28 8.20 2ze1A1 THR 336 HA -0.06 0.14 0.60 -0.75 4.39 4.32 2ze1A1 THR 336 HB -0.04 0.03 0.03 -0.04 4.32 4.30 2ze1A1 THR 336 HG23 0.00 0.00 0.07 -0.04 1.22 1.25 2ze1A1 THR 337 H -0.18 -0.03 -0.26 -0.55 8.28 7.27 2ze1A1 THR 337 HA -1.30 0.06 0.27 -0.75 4.39 2.66 2ze1A1 THR 337 HB -0.88 -0.01 -0.05 -0.04 4.32 3.34 2ze1A1 THR 337 HG23 -1.41 0.02 -0.16 -0.04 1.22 -0.37 2ze1A1 PRO 338 HA -0.29 0.12 0.47 -0.51 4.44 4.23 2ze1A1 PRO 338 HB2 -0.26 -0.00 0.20 -0.04 2.28 2.18 2ze1A1 PRO 338 HB3 -0.29 0.06 0.11 -0.04 2.02 1.86 2ze1A1 PRO 338 HG2 -0.44 0.06 0.02 -0.04 2.03 1.62 2ze1A1 PRO 338 HG3 -0.39 0.06 0.03 -0.04 2.03 1.69 2ze1A1 PRO 338 HD2 -2.28 0.09 -0.01 -0.04 3.68 1.44 2ze1A1 PRO 338 HD3 -1.91 0.05 0.04 -0.04 3.65 1.80 2ze1A1 TRP 339 H -0.31 0.52 -0.07 -0.55 7.97 7.56 2ze1A1 TRP 339 HA 0.05 0.06 0.23 -0.75 4.62 4.21 2ze1A1 TRP 339 HB2 -0.08 -0.04 0.10 -0.04 3.23 3.17 2ze1A1 TRP 339 HB3 -0.05 -0.03 -0.01 -0.04 3.23 3.09 2ze1A1 TRP 339 HD1 -0.10 0.04 0.03 -0.04 7.22 7.15 2ze1A1 TRP 339 HE1 -0.05 0.03 -0.04 -0.04 10.20 10.09 2ze1A1 TRP 339 HE3 -0.22 -0.05 -0.15 -0.04 7.59 7.13 2ze1A1 TRP 339 HZ2 -0.00 0.02 -0.06 -0.04 7.44 7.36 2ze1A1 TRP 339 HZ3 -0.51 0.19 -0.37 -0.04 7.13 6.40 2ze1A1 TRP 339 HH2 -0.68 0.18 -0.06 -0.04 7.19 6.59 2ze1A1 ASN 340 H 0.09 0.07 -0.21 -0.55 8.53 7.94 2ze1A1 ASN 340 HA 0.10 0.10 0.34 -0.75 4.76 4.55 2ze1A1 ASN 340 HB2 -0.08 0.03 -0.04 -0.04 2.88 2.76 2ze1A1 ASN 340 HB3 -0.05 0.02 0.09 -0.04 2.79 2.81 2ze1A1 ASN 340 HD21 -0.15 -0.03 0.00 -0.04 7.03 6.81 2ze1A1 ASN 340 HD22 -0.16 0.05 -0.01 -0.04 7.74 7.58 2ze1A1 ILE 341 H -0.05 0.50 -0.49 -0.55 8.25 7.66 2ze1A1 ILE 341 HA -0.09 0.07 0.68 -0.75 4.18 4.09 2ze1A1 ILE 341 HB -0.37 0.20 0.14 -0.04 1.89 1.81 2ze1A1 ILE 341 HG12 -0.11 -0.02 0.04 -0.04 1.49 1.35 2ze1A1 ILE 341 HG13 -0.14 -0.13 -0.03 -0.04 1.21 0.87 2ze1A1 ILE 341 HG23 -0.33 0.01 -0.02 -0.04 0.93 0.55 2ze1A1 ILE 341 HD13 -0.12 0.02 0.04 -0.04 0.88 0.77 2ze1A1 PHE 342 H 0.18 0.37 -0.01 -0.55 8.34 8.33 2ze1A1 PHE 342 HA 0.25 0.16 0.70 -0.75 4.62 4.97 2ze1A1 PHE 342 HB2 0.20 -0.01 0.12 -0.04 3.15 3.43 2ze1A1 PHE 342 HB3 0.41 0.00 0.03 -0.04 3.06 3.46 2ze1A1 PHE 342 HD2 0.21 0.01 -0.05 -0.04 7.28 7.41 2ze1A1 PHE 342 HE2 -0.08 -0.05 -0.14 -0.04 7.38 7.06 2ze1A1 PHE 342 HZ 0.13 -0.03 -0.12 -0.04 7.32 7.26 2ze1A1 PRO 343 HA 0.19 0.08 0.46 -0.51 4.44 4.65 2ze1A1 PRO 343 HB2 0.15 -0.04 0.00 -0.04 2.28 2.36 2ze1A1 PRO 343 HB3 0.14 0.07 0.05 -0.04 2.02 2.24 2ze1A1 PRO 343 HG2 0.25 -0.02 -0.04 -0.04 2.03 2.18 2ze1A1 PRO 343 HG3 0.18 0.07 0.04 -0.04 2.03 2.29 2ze1A1 PRO 343 HD2 0.58 0.04 0.18 -0.04 3.68 4.43 2ze1A1 PRO 343 HD3 0.30 0.26 0.21 -0.04 3.65 4.37 2ze1A1 VAL 344 H 0.15 0.03 0.18 -0.55 8.24 8.05 2ze1A1 VAL 344 HA 0.23 0.29 0.86 -0.75 4.13 4.75 2ze1A1 VAL 344 HB 0.10 0.07 0.00 -0.04 2.12 2.24 2ze1A1 VAL 344 HG13 0.10 0.01 -0.04 -0.04 0.97 1.00 2ze1A1 VAL 344 HG23 0.07 -0.04 -0.06 -0.04 0.95 0.89 2ze1A1 ILE 345 H 0.16 0.63 0.30 -0.55 8.25 8.80 2ze1A1 ILE 345 HA 0.04 0.24 1.07 -0.75 4.18 4.77 2ze1A1 ILE 345 HB 0.07 -0.02 0.15 -0.04 1.89 2.05 2ze1A1 ILE 345 HG12 -0.03 0.01 -0.09 -0.04 1.49 1.34 2ze1A1 ILE 345 HG13 0.09 0.02 -0.43 -0.04 1.21 0.84 2ze1A1 ILE 345 HG23 -0.04 -0.01 -0.16 -0.04 0.93 0.68 2ze1A1 ILE 345 HD13 -0.33 -0.00 -0.10 -0.04 0.88 0.42 2ze1A1 SER 346 H -0.01 0.47 0.22 -0.55 8.46 8.60 2ze1A1 SER 346 HA -0.12 0.44 1.15 -0.75 4.49 5.20 2ze1A1 SER 346 HB2 0.01 -0.11 0.05 -0.04 3.95 3.86 2ze1A1 SER 346 HB3 -0.35 0.01 -0.14 -0.04 3.93 3.41 2ze1A1 LEU 347 H -0.22 0.75 0.35 -0.55 8.37 8.70 2ze1A1 LEU 347 HA -0.16 0.13 1.00 -0.75 4.35 4.57 2ze1A1 LEU 347 HB2 -0.25 0.08 0.20 -0.04 1.64 1.62 2ze1A1 LEU 347 HB3 -0.28 -0.00 -0.05 -0.04 1.64 1.28 2ze1A1 LEU 347 HG -0.17 -0.01 -0.04 -0.04 1.64 1.38 2ze1A1 LEU 347 HD13 -0.13 -0.00 -0.15 -0.04 0.93 0.61 2ze1A1 LEU 347 HD23 -0.12 0.01 -0.06 -0.04 0.89 0.68 2ze1A1 TYR 348 H 0.02 0.75 0.34 -0.55 8.29 8.84 2ze1A1 TYR 348 HA -0.39 0.29 0.89 -0.75 4.56 4.60 2ze1A1 TYR 348 HB2 -0.23 -0.08 0.18 -0.04 3.06 2.88 2ze1A1 TYR 348 HB3 -0.23 0.01 -0.12 -0.04 2.98 2.60 2ze1A1 TYR 348 HD2 -0.28 0.09 -0.26 -0.04 7.15 6.65 2ze1A1 TYR 348 HE2 -0.87 -0.01 -0.19 -0.04 6.85 5.74 2ze1A1 LEU 349 H -0.69 0.72 0.38 -0.55 8.37 8.23 2ze1A1 LEU 349 HA -0.20 0.14 1.07 -0.75 4.35 4.60 2ze1A1 LEU 349 HB2 -1.06 0.02 0.03 -0.04 1.64 0.59 2ze1A1 LEU 349 HB3 -0.24 0.05 0.06 -0.04 1.64 1.48 2ze1A1 LEU 349 HG -0.49 -0.06 -0.30 -0.04 1.64 0.75 2ze1A1 LEU 349 HD13 -0.62 0.01 -0.10 -0.04 0.93 0.18 2ze1A1 LEU 349 HD23 -0.16 -0.01 -0.20 -0.04 0.89 0.47 2ze1A1 MET 350 H -0.03 0.54 0.32 -0.55 8.47 8.75 2ze1A1 MET 350 HA 0.05 -0.01 0.57 -0.75 4.52 4.38 2ze1A1 MET 350 HB2 0.05 -0.04 0.13 -0.04 2.15 2.25 2ze1A1 MET 350 HB3 0.08 -0.02 0.16 -0.04 2.03 2.21 2ze1A1 MET 350 HG2 0.10 0.28 -0.01 -0.04 2.63 2.96 2ze1A1 MET 350 HG3 0.07 -0.09 0.05 -0.04 2.56 2.55 2ze1A1 MET 350 HE3 0.06 -0.02 -0.05 -0.04 2.10 2.05 2ze1A1 GLY 351 H 0.16 0.50 0.33 -0.55 8.43 8.88 2ze1A1 GLY 351 HA2 0.45 0.24 0.63 -0.51 4.01 4.82 2ze1A1 GLY 351 HA3 0.31 -0.11 0.20 -0.51 4.01 3.91 2ze1A1 GLU 352 H 0.23 0.12 0.17 -0.55 8.60 8.57 2ze1A1 GLU 352 HA 0.11 0.14 0.51 -0.75 4.29 4.30 2ze1A1 GLU 352 HB2 0.08 -0.08 0.09 -0.04 2.09 2.14 2ze1A1 GLU 352 HB3 0.04 0.01 0.03 -0.04 1.99 2.04 2ze1A1 GLU 352 HG2 0.08 0.05 -0.10 -0.04 2.34 2.34 2ze1A1 GLU 352 HG3 0.17 0.20 0.02 -0.04 2.34 2.68 2ze1A1 VAL 353 H 0.14 0.01 -0.09 -0.55 8.24 7.76 2ze1A1 VAL 353 HA 0.07 0.17 0.81 -0.75 4.13 4.42 2ze1A1 VAL 353 HB 0.11 -0.10 0.11 -0.04 2.12 2.20 2ze1A1 VAL 353 HG13 0.06 0.03 -0.13 -0.04 0.97 0.89 2ze1A1 VAL 353 HG23 0.07 0.00 -0.02 -0.04 0.95 0.97 2ze1A1 THR 354 H 0.06 0.19 0.07 -0.55 8.28 8.05 2ze1A1 THR 354 HA 0.07 0.10 0.49 -0.75 4.39 4.30 2ze1A1 THR 354 HB 0.04 0.02 0.05 -0.04 4.32 4.40 2ze1A1 THR 354 HG23 0.05 0.03 0.06 -0.04 1.22 1.31 2ze1A1 ASN 355 H 0.07 0.24 0.21 -0.55 8.53 8.50 2ze1A1 ASN 355 HA 0.05 0.14 0.44 -0.75 4.76 4.64 2ze1A1 ASN 355 HB2 0.05 0.73 0.73 -0.04 2.88 4.35 2ze1A1 ASN 355 HB3 0.06 -0.08 -0.16 -0.04 2.79 2.57 2ze1A1 ASN 355 HD21 0.03 -0.03 -0.01 -0.04 7.03 6.97 2ze1A1 ASN 355 HD22 0.04 -0.02 -0.04 -0.04 7.74 7.68 2ze1A1 GLN 356 H 0.10 0.55 -0.01 -0.55 8.47 8.57 2ze1A1 GLN 356 HA 0.12 0.10 0.69 -0.75 4.36 4.51 2ze1A1 GLN 356 HB2 0.13 -0.01 0.14 -0.04 2.15 2.37 2ze1A1 GLN 356 HB3 0.21 -0.10 0.10 -0.04 2.02 2.18 2ze1A1 GLN 356 HG2 0.28 -0.04 0.06 -0.04 2.40 2.67 2ze1A1 GLN 356 HG3 0.17 0.01 0.13 -0.04 2.39 2.66 2ze1A1 GLN 356 HE21 0.07 0.00 -0.06 -0.04 6.97 6.95 2ze1A1 GLN 356 HE22 0.09 -0.00 -0.09 -0.04 7.69 7.64 2ze1A1 SER 357 H 0.15 0.47 0.51 -0.55 8.46 9.04 2ze1A1 SER 357 HA 0.17 0.10 0.59 -0.75 4.49 4.59 2ze1A1 SER 357 HB2 0.03 0.11 -0.03 -0.04 3.95 4.02 2ze1A1 SER 357 HB3 0.09 -0.00 -0.24 -0.04 3.93 3.74 2ze1A1 PHE 358 H -0.23 0.63 0.29 -0.55 8.34 8.48 2ze1A1 PHE 358 HA -0.13 0.07 0.80 -0.75 4.62 4.61 2ze1A1 PHE 358 HB2 -0.77 0.17 0.00 -0.04 3.15 2.52 2ze1A1 PHE 358 HB3 -0.68 -0.07 -0.13 -0.04 3.06 2.14 2ze1A1 PHE 358 HD2 -0.05 0.01 -0.28 -0.04 7.28 6.92 2ze1A1 PHE 358 HE2 -0.00 0.11 -0.40 -0.04 7.38 7.05 2ze1A1 PHE 358 HZ 0.18 0.04 -0.21 -0.04 7.32 7.29 2ze1A1 ARG 359 H -0.21 0.57 0.31 -0.55 8.46 8.58 2ze1A1 ARG 359 HA -0.74 0.31 1.10 -0.75 4.34 4.26 2ze1A1 ARG 359 HB2 -0.95 -0.02 -0.18 -0.04 1.90 0.71 2ze1A1 ARG 359 HB3 -2.03 -0.05 -0.13 -0.04 1.80 -0.46 2ze1A1 ARG 359 HG2 -0.25 0.07 0.03 -0.04 1.67 1.48 2ze1A1 ARG 359 HG3 -0.30 -0.03 -0.24 -0.04 1.67 1.06 2ze1A1 ARG 359 HD2 -0.40 -0.02 -0.17 -0.04 3.22 2.59 2ze1A1 ARG 359 HD3 -0.93 -0.01 -0.14 -0.04 3.22 2.10 2ze1A1 ILE 360 H -0.48 0.63 0.32 -0.55 8.25 8.17 2ze1A1 ILE 360 HA -0.30 0.26 0.96 -0.75 4.18 4.35 2ze1A1 ILE 360 HB -0.53 -0.02 0.27 -0.04 1.89 1.56 2ze1A1 ILE 360 HG12 -0.65 -0.03 -0.20 -0.04 1.49 0.58 2ze1A1 ILE 360 HG13 -1.30 -0.01 -0.05 -0.04 1.21 -0.18 2ze1A1 ILE 360 HG23 -0.88 0.00 -0.10 -0.04 0.93 -0.09 2ze1A1 ILE 360 HD13 -0.58 0.03 0.03 -0.04 0.88 0.33 2ze1A1 THR 361 H 0.08 0.67 0.31 -0.55 8.28 8.79 2ze1A1 THR 361 HA -0.01 0.30 1.16 -0.75 4.39 5.08 2ze1A1 THR 361 HB 0.05 -0.03 0.16 -0.04 4.32 4.46 2ze1A1 THR 361 HG23 0.04 -0.01 -0.21 -0.04 1.22 0.99 2ze1A1 ILE 362 H 0.10 0.71 0.40 -0.55 8.25 8.91 2ze1A1 ILE 362 HA 0.11 0.16 1.07 -0.75 4.18 4.77 2ze1A1 ILE 362 HB 0.15 0.09 0.16 -0.04 1.89 2.24 2ze1A1 ILE 362 HG12 0.13 0.03 0.14 -0.04 1.49 1.75 2ze1A1 ILE 362 HG13 0.29 -0.08 -0.11 -0.04 1.21 1.27 2ze1A1 ILE 362 HG23 0.28 0.03 -0.08 -0.04 0.93 1.12 2ze1A1 ILE 362 HD13 0.21 -0.00 -0.08 -0.04 0.88 0.96 2ze1A1 LEU 363 H -0.00 0.18 0.20 -0.55 8.37 8.20 2ze1A1 LEU 363 HA 0.05 0.20 0.67 -0.75 4.35 4.52 2ze1A1 LEU 363 HB2 -0.15 0.01 0.10 -0.04 1.64 1.56 2ze1A1 LEU 363 HB3 -0.11 0.02 0.12 -0.04 1.64 1.63 2ze1A1 LEU 363 HG -0.02 0.01 -0.07 -0.04 1.64 1.52 2ze1A1 LEU 363 HD13 -0.05 0.05 -0.04 -0.04 0.93 0.85 2ze1A1 LEU 363 HD23 0.04 0.00 -0.40 -0.04 0.89 0.49 2ze1A1 PRO 364 HA -1.62 0.07 0.49 -0.51 4.44 2.86 2ze1A1 PRO 364 HB2 0.38 -0.02 -0.05 -0.04 2.28 2.55 2ze1A1 PRO 364 HB3 -0.11 0.05 0.04 -0.04 2.02 1.96 2ze1A1 PRO 364 HG2 0.29 0.25 0.04 -0.04 2.03 2.57 2ze1A1 PRO 364 HG3 0.26 0.19 -0.16 -0.04 2.03 2.27 2ze1A1 PRO 364 HD2 -0.02 -0.00 0.14 -0.04 3.68 3.75 2ze1A1 PRO 364 HD3 0.09 0.17 0.05 -0.04 3.65 3.92 2ze1A1 GLN 365 H -0.43 0.07 -0.27 -0.55 8.47 7.29 2ze1A1 GLN 365 HA -0.80 0.14 0.39 -0.75 4.36 3.34 2ze1A1 GLN 365 HB2 -0.44 -0.02 -0.00 -0.04 2.15 1.64 2ze1A1 GLN 365 HB3 -0.43 0.06 -0.04 -0.04 2.02 1.57 2ze1A1 GLN 365 HG2 -0.82 0.01 -0.15 -0.04 2.40 1.40 2ze1A1 GLN 365 HG3 -2.17 0.05 -0.02 -0.04 2.39 0.20 2ze1A1 GLN 365 HE21 -0.67 -0.07 -0.03 -0.04 6.97 6.17 2ze1A1 GLN 365 HE22 -1.58 0.07 -0.08 -0.04 7.69 6.06 2ze1A1 GLN 366 H -0.22 0.23 -0.56 -0.55 8.47 7.37 2ze1A1 GLN 366 HA -0.03 0.15 0.77 -0.75 4.36 4.51 2ze1A1 GLN 366 HB2 0.01 0.01 0.17 -0.04 2.15 2.30 2ze1A1 GLN 366 HB3 0.05 0.43 0.14 -0.04 2.02 2.60 2ze1A1 GLN 366 HG2 -0.03 0.09 0.02 -0.04 2.40 2.43 2ze1A1 GLN 366 HG3 -0.10 -0.16 -0.07 -0.04 2.39 2.03 2ze1A1 GLN 366 HE21 -0.05 -0.09 0.09 -0.04 6.97 6.87 2ze1A1 GLN 366 HE22 0.05 0.25 0.10 -0.04 7.69 8.06 2ze1A1 TYR 367 H -0.24 0.19 0.02 -0.55 8.29 7.71 2ze1A1 TYR 367 HA -0.02 0.17 0.67 -0.75 4.56 4.62 2ze1A1 TYR 367 HB2 -0.14 -0.10 0.02 -0.04 3.06 2.80 2ze1A1 TYR 367 HB3 -0.02 0.00 -0.05 -0.04 2.98 2.88 2ze1A1 TYR 367 HD2 0.07 -0.04 -0.23 -0.04 7.15 6.91 2ze1A1 TYR 367 HE2 0.19 0.04 -0.13 -0.04 6.85 6.90 2ze1A1 LEU 368 H -0.13 0.49 -0.26 -0.55 8.37 7.92 2ze1A1 LEU 368 HA 0.16 0.19 0.72 -0.75 4.35 4.66 2ze1A1 LEU 368 HB2 -0.08 0.24 0.10 -0.04 1.64 1.85 2ze1A1 LEU 368 HB3 -0.12 -0.04 -0.06 -0.04 1.64 1.38 2ze1A1 LEU 368 HG 0.05 -0.03 -0.19 -0.04 1.64 1.42 2ze1A1 LEU 368 HD13 0.29 -0.00 -0.14 -0.04 0.93 1.04 2ze1A1 LEU 368 HD23 -0.85 -0.02 -0.12 -0.04 0.89 -0.14 2ze1A1 ARG 369 H 0.17 0.43 0.06 -0.55 8.46 8.57 2ze1A1 ARG 369 HA 0.24 0.22 0.70 -0.75 4.34 4.73 2ze1A1 ARG 369 HB2 0.12 0.01 0.06 -0.04 1.90 2.05 2ze1A1 ARG 369 HB3 0.11 0.02 -0.00 -0.04 1.80 1.88 2ze1A1 ARG 369 HG2 0.10 0.04 0.03 -0.04 1.67 1.79 2ze1A1 ARG 369 HG3 0.11 0.01 -0.14 -0.04 1.67 1.61 2ze1A1 ARG 369 HD2 0.07 0.03 -0.04 -0.04 3.22 3.24 2ze1A1 ARG 369 HD3 0.06 -0.08 -0.04 -0.04 3.22 3.12 2ze1A1 PRO 370 HA -0.11 0.33 0.57 -0.51 4.44 4.72 2ze1A1 PRO 370 HB2 0.10 0.03 0.04 -0.04 2.28 2.41 2ze1A1 PRO 370 HB3 0.18 0.01 0.06 -0.04 2.02 2.22 2ze1A1 PRO 370 HG2 0.14 0.04 0.09 -0.04 2.03 2.26 2ze1A1 PRO 370 HG3 0.24 -0.05 0.11 -0.04 2.03 2.30 2ze1A1 PRO 370 HD2 0.18 0.05 0.22 -0.04 3.68 4.09 2ze1A1 PRO 370 HD3 0.32 0.20 0.27 -0.04 3.65 4.39 2ze1A1 CYS 381 HA -0.18 0.12 0.25 -0.75 4.58 4.02 2ze1A1 CYS 381 HB2 -0.13 -0.02 0.11 -0.04 2.97 2.89 2ze1A1 CYS 381 HB3 -0.11 -0.03 -0.20 -0.04 2.97 2.59 2ze1A1 TYR 382 H 0.02 0.45 0.20 -0.55 8.29 8.41 2ze1A1 TYR 382 HA 0.09 0.29 0.74 -0.75 4.56 4.91 2ze1A1 TYR 382 HB2 0.09 -0.08 -0.09 -0.04 3.06 2.93 2ze1A1 TYR 382 HB3 0.13 0.00 -0.31 -0.04 2.98 2.76 2ze1A1 TYR 382 HD2 0.28 0.02 -0.36 -0.04 7.15 7.05 2ze1A1 TYR 382 HE2 0.23 -0.08 -0.09 -0.04 6.85 6.87 2ze1A1 LYS 383 H 0.20 0.76 0.22 -0.55 8.42 9.05 2ze1A1 LYS 383 HA 0.20 0.14 0.93 -0.75 4.32 4.83 2ze1A1 LYS 383 HB2 0.09 0.04 0.04 -0.04 1.87 2.00 2ze1A1 LYS 383 HB3 0.08 0.09 -0.15 -0.04 1.79 1.76 2ze1A1 LYS 383 HG2 0.08 0.07 -0.30 -0.04 1.46 1.28 2ze1A1 LYS 383 HG3 0.07 -0.10 -0.28 -0.04 1.46 1.10 2ze1A1 LYS 383 HD2 0.04 -0.03 -0.09 -0.04 1.69 1.57 2ze1A1 LYS 383 HD3 0.04 0.12 -0.11 -0.04 1.68 1.69 2ze1A1 LYS 383 HE2 0.03 0.22 -0.19 -0.04 2.99 3.01 2ze1A1 LYS 383 HE3 0.02 -0.11 -0.12 -0.04 2.99 2.74 2ze1A1 PHE 384 H 0.04 0.21 0.13 -0.55 8.34 8.16 2ze1A1 PHE 384 HA -0.05 0.10 0.63 -0.75 4.62 4.54 2ze1A1 PHE 384 HB2 -1.48 -0.03 0.12 -0.04 3.15 1.72 2ze1A1 PHE 384 HB3 -0.44 0.06 0.26 -0.04 3.06 2.91 2ze1A1 PHE 384 HD2 -0.02 0.08 0.03 -0.04 7.28 7.33 2ze1A1 PHE 384 HE2 0.20 0.00 -0.01 -0.04 7.38 7.53 2ze1A1 PHE 384 HZ 0.09 -0.06 -0.05 -0.04 7.32 7.26 2ze1A1 ALA 385 H -0.12 0.85 0.41 -0.55 8.40 8.99 2ze1A1 ALA 385 HA -0.06 0.13 0.59 -0.75 4.34 4.25 2ze1A1 ALA 385 HB3 0.02 -0.02 0.08 -0.04 1.41 1.45 2ze1A1 ILE 386 H -0.87 0.19 -0.34 -0.55 8.25 6.69 2ze1A1 ILE 386 HA -0.14 0.24 0.94 -0.75 4.18 4.46 2ze1A1 ILE 386 HB -0.77 -0.02 0.07 -0.04 1.89 1.14 2ze1A1 ILE 386 HG12 -0.18 0.01 0.01 -0.04 1.49 1.29 2ze1A1 ILE 386 HG13 -0.47 -0.04 -0.20 -0.04 1.21 0.45 2ze1A1 ILE 386 HG23 0.11 0.01 -0.05 -0.04 0.93 0.95 2ze1A1 ILE 386 HD13 -0.44 -0.01 -0.06 -0.04 0.88 0.32 2ze1A1 SER 387 H -0.05 0.53 0.26 -0.55 8.46 8.66 2ze1A1 SER 387 HA -0.23 0.20 0.82 -0.75 4.49 4.53 2ze1A1 SER 387 HB2 -0.15 0.01 0.06 -0.04 3.95 3.82 2ze1A1 SER 387 HB3 -0.06 0.11 -0.25 -0.04 3.93 3.69 2ze1A1 GLN 388 H -0.71 0.16 0.16 -0.55 8.47 7.53 2ze1A1 GLN 388 HA -0.45 0.17 0.60 -0.75 4.36 3.93 2ze1A1 GLN 388 HB2 -0.93 0.02 0.11 -0.04 2.15 1.31 2ze1A1 GLN 388 HB3 -0.30 -0.00 0.06 -0.04 2.02 1.73 2ze1A1 GLN 388 HG2 -0.10 0.03 -0.01 -0.04 2.40 2.28 2ze1A1 GLN 388 HG3 -0.04 0.00 0.05 -0.04 2.39 2.36 2ze1A1 GLN 388 HE21 0.08 -0.01 0.01 -0.04 6.97 7.01 2ze1A1 GLN 388 HE22 0.16 0.03 0.01 -0.04 7.69 7.85 2ze1A1 SER 389 H -0.09 0.57 0.28 -0.55 8.46 8.68 2ze1A1 SER 389 HA -0.09 0.16 0.88 -0.75 4.49 4.69 2ze1A1 SER 389 HB2 -0.08 -0.01 -0.26 -0.04 3.95 3.56 2ze1A1 SER 389 HB3 -0.06 -0.01 -0.44 -0.04 3.93 3.38 2ze1A1 SER 390 H -0.07 0.22 0.15 -0.55 8.46 8.20 2ze1A1 SER 390 HA -0.09 0.13 0.92 -0.75 4.49 4.70 2ze1A1 SER 390 HB2 -0.05 0.04 0.06 -0.04 3.95 3.96 2ze1A1 SER 390 HB3 -0.05 0.03 0.17 -0.04 3.93 4.03 2ze1A1 THR 391 H -0.11 0.07 -0.05 -0.55 8.28 7.64 2ze1A1 THR 391 HA -0.14 0.23 0.86 -0.75 4.39 4.59 2ze1A1 THR 391 HB -0.13 0.04 0.13 -0.04 4.32 4.31 2ze1A1 THR 391 HG23 -0.06 -0.02 -0.13 -0.04 1.22 0.98 2ze1A1 GLY 392 H -0.17 -0.02 -0.24 -0.55 8.43 7.46 2ze1A1 GLY 392 HA2 -0.13 0.11 0.27 -0.51 4.01 3.75 2ze1A1 GLY 392 HA3 -0.12 0.26 0.63 -0.51 4.01 4.26 2ze1A1 THR 393 H -0.03 0.37 0.32 -0.55 8.28 8.39 2ze1A1 THR 393 HA -0.02 0.30 0.77 -0.75 4.39 4.69 2ze1A1 THR 393 HB 0.01 -0.10 0.29 -0.04 4.32 4.48 2ze1A1 THR 393 HG23 -0.01 -0.01 -0.14 -0.04 1.22 1.01 2ze1A1 VAL 394 H -0.03 0.62 0.34 -0.55 8.24 8.62 2ze1A1 VAL 394 HA -0.04 0.15 0.90 -0.75 4.13 4.38 2ze1A1 VAL 394 HB -0.04 -0.10 0.15 -0.04 2.12 2.09 2ze1A1 VAL 394 HG13 -0.02 -0.01 -0.20 -0.04 0.97 0.70 2ze1A1 VAL 394 HG23 -0.09 0.04 -0.23 -0.04 0.95 0.63 2ze1A1 MET 395 H 0.01 0.91 0.26 -0.55 8.47 9.10 2ze1A1 MET 395 HA 0.01 0.09 0.90 -0.75 4.52 4.76 2ze1A1 MET 395 HB2 0.05 0.05 0.23 -0.04 2.15 2.43 2ze1A1 MET 395 HB3 0.05 0.02 0.08 -0.04 2.03 2.14 2ze1A1 MET 395 HG2 -0.04 0.02 -0.03 -0.04 2.63 2.54 2ze1A1 MET 395 HG3 -0.02 -0.04 -0.14 -0.04 2.56 2.32 2ze1A1 MET 395 HE3 -0.02 -0.02 -0.25 -0.04 2.10 1.78 2ze1A1 GLY 396 H 0.03 0.36 0.07 -0.55 8.43 8.34 2ze1A1 GLY 396 HA2 0.05 0.33 0.56 -0.51 4.01 4.43 2ze1A1 GLY 396 HA3 0.04 0.16 0.15 -0.51 4.01 3.85 2ze1A1 ALA 397 H 0.07 0.90 0.40 -0.55 8.40 9.22 2ze1A1 ALA 397 HA 0.08 -0.08 0.37 -0.75 4.34 3.95 2ze1A1 ALA 397 HB3 0.19 0.02 0.17 -0.04 1.41 1.74 2ze1A1 VAL 398 H 0.08 0.73 0.01 -0.55 8.24 8.51 2ze1A1 VAL 398 HA 0.09 0.04 0.29 -0.75 4.13 3.79 2ze1A1 VAL 398 HB 0.08 0.29 0.03 -0.04 2.12 2.48 2ze1A1 VAL 398 HG13 0.07 0.01 0.02 -0.04 0.97 1.03 2ze1A1 VAL 398 HG23 0.05 0.04 -0.10 -0.04 0.95 0.89 2ze1A1 ILE 399 H 0.09 0.28 -0.43 -0.55 8.25 7.64 2ze1A1 ILE 399 HA 0.18 0.19 0.91 -0.75 4.18 4.70 2ze1A1 ILE 399 HB 0.08 -0.03 0.00 -0.04 1.89 1.91 2ze1A1 ILE 399 HG12 0.03 -0.03 -0.15 -0.04 1.49 1.30 2ze1A1 ILE 399 HG13 0.10 0.05 -0.13 -0.04 1.21 1.19 2ze1A1 ILE 399 HG23 0.05 0.03 -0.04 -0.04 0.93 0.92 2ze1A1 ILE 399 HD13 -0.09 -0.02 -0.04 -0.04 0.88 0.68 2ze1A1 MET 400 H 0.13 0.32 -0.05 -0.55 8.47 8.32 2ze1A1 MET 400 HA 0.30 0.02 0.46 -0.75 4.52 4.55 2ze1A1 MET 400 HB2 0.07 0.03 0.06 -0.04 2.15 2.27 2ze1A1 MET 400 HB3 0.08 -0.09 0.00 -0.04 2.03 1.98 2ze1A1 MET 400 HG2 0.16 -0.04 -0.09 -0.04 2.63 2.62 2ze1A1 MET 400 HG3 0.13 0.17 -0.19 -0.04 2.56 2.63 2ze1A1 MET 400 HE3 0.13 -0.01 -0.06 -0.04 2.10 2.12 2ze1A1 GLU 401 H 0.10 0.63 -0.04 -0.55 8.60 8.74 2ze1A1 GLU 401 HA 0.02 0.26 0.60 -0.75 4.29 4.41 2ze1A1 GLU 401 HB2 0.06 0.08 0.02 -0.04 2.09 2.21 2ze1A1 GLU 401 HB3 0.04 0.02 -0.16 -0.04 1.99 1.84 2ze1A1 GLU 401 HG2 0.08 -0.15 -0.37 -0.04 2.34 1.85 2ze1A1 GLU 401 HG3 0.08 0.07 -0.05 -0.04 2.34 2.41 2ze1A1 GLY 402 H -0.00 0.37 0.27 -0.55 8.43 8.52 2ze1A1 GLY 402 HA2 -0.03 -0.12 0.40 -0.51 4.01 3.75 2ze1A1 GLY 402 HA3 -0.21 0.11 0.75 -0.51 4.01 4.15 2ze1A1 PHE 403 H 0.08 0.56 -0.28 -0.55 8.34 8.15 2ze1A1 PHE 403 HA 0.07 0.10 0.97 -0.75 4.62 5.00 2ze1A1 PHE 403 HB2 0.16 0.11 0.03 -0.04 3.15 3.41 2ze1A1 PHE 403 HB3 0.23 -0.06 -0.01 -0.04 3.06 3.17 2ze1A1 PHE 403 HD2 0.08 0.22 -0.12 -0.04 7.28 7.41 2ze1A1 PHE 403 HE2 -0.01 -0.02 -0.18 -0.04 7.38 7.12 2ze1A1 PHE 403 HZ -0.04 0.08 -0.07 -0.04 7.32 7.24 2ze1A1 TYR 404 H 0.28 0.83 0.24 -0.55 8.29 9.09 2ze1A1 TYR 404 HA -0.00 0.16 0.93 -0.75 4.56 4.89 2ze1A1 TYR 404 HB2 0.06 0.04 -0.07 -0.04 3.06 3.06 2ze1A1 TYR 404 HB3 -0.08 -0.03 0.04 -0.04 2.98 2.86 2ze1A1 TYR 404 HD2 -0.21 0.04 -0.17 -0.04 7.15 6.76 2ze1A1 TYR 404 HE2 -0.02 -0.05 -0.22 -0.04 6.85 6.52 2ze1A1 VAL 405 H -0.23 0.69 0.30 -0.55 8.24 8.45 2ze1A1 VAL 405 HA -0.71 0.39 1.05 -0.75 4.13 4.10 2ze1A1 VAL 405 HB -0.12 -0.08 0.18 -0.04 2.12 2.06 2ze1A1 VAL 405 HG13 -1.08 -0.00 -0.14 -0.04 0.97 -0.28 2ze1A1 VAL 405 HG23 -0.11 0.04 -0.12 -0.04 0.95 0.72 2ze1A1 VAL 406 H -0.73 0.62 0.27 -0.55 8.24 7.85 2ze1A1 VAL 406 HA -0.43 0.15 0.93 -0.75 4.13 4.02 2ze1A1 VAL 406 HB -0.39 -0.12 0.14 -0.04 2.12 1.70 2ze1A1 VAL 406 HG13 -0.12 -0.01 -0.23 -0.04 0.97 0.57 2ze1A1 VAL 406 HG23 -0.52 0.02 -0.21 -0.04 0.95 0.20 2ze1A1 PHE 407 H -0.37 0.91 0.39 -0.55 8.34 8.73 2ze1A1 PHE 407 HA -0.47 0.18 0.87 -0.75 4.62 4.44 2ze1A1 PHE 407 HB2 -2.15 0.01 0.24 -0.04 3.15 1.20 2ze1A1 PHE 407 HB3 -1.11 -0.00 0.12 -0.04 3.06 2.03 2ze1A1 PHE 407 HD2 -1.29 0.05 -0.06 -0.04 7.28 5.95 2ze1A1 PHE 407 HE2 -0.40 0.04 -0.05 -0.04 7.38 6.93 2ze1A1 PHE 407 HZ -0.21 -0.03 -0.12 -0.04 7.32 6.92 2ze1A1 ASP 408 H -0.15 0.50 0.03 -0.55 8.40 8.23 2ze1A1 ASP 408 HA -0.03 -0.00 0.45 -0.75 4.63 4.29 2ze1A1 ASP 408 HB2 0.01 -0.03 -0.04 -0.04 2.71 2.61 2ze1A1 ASP 408 HB3 -0.01 0.18 0.11 -0.04 2.70 2.93 2ze1A1 ARG 409 H 0.05 0.37 0.40 -0.55 8.46 8.73 2ze1A1 ARG 409 HA 0.24 0.02 0.35 -0.75 4.34 4.20 2ze1A1 ARG 409 HB2 0.21 0.08 0.02 -0.04 1.90 2.17 2ze1A1 ARG 409 HB3 0.31 -0.01 0.01 -0.04 1.80 2.07 2ze1A1 ARG 409 HG2 0.31 -0.02 -0.03 -0.04 1.67 1.89 2ze1A1 ARG 409 HG3 0.12 0.08 -0.03 -0.04 1.67 1.80 2ze1A1 ARG 409 HD2 0.05 0.05 -0.03 -0.04 3.22 3.25 2ze1A1 ARG 409 HD3 0.01 -0.04 -0.10 -0.04 3.22 3.05 2ze1A1 ALA 410 H 0.09 0.43 0.07 -0.55 8.40 8.45 2ze1A1 ALA 410 HA 0.08 0.06 0.44 -0.75 4.34 4.17 2ze1A1 ALA 410 HB3 0.05 -0.02 0.06 -0.04 1.41 1.46 2ze1A1 ARG 411 H 0.01 0.07 -0.34 -0.55 8.46 7.65 2ze1A1 ARG 411 HA -0.01 0.23 0.84 -0.75 4.34 4.65 2ze1A1 ARG 411 HB2 -0.11 -0.04 -0.03 -0.04 1.90 1.68 2ze1A1 ARG 411 HB3 -0.09 0.02 0.09 -0.04 1.80 1.78 2ze1A1 ARG 411 HG2 -0.05 0.06 -0.09 -0.04 1.67 1.56 2ze1A1 ARG 411 HG3 -0.04 -0.09 -0.22 -0.04 1.67 1.27 2ze1A1 ARG 411 HD2 -0.08 -0.02 -0.08 -0.04 3.22 3.01 2ze1A1 ARG 411 HD3 -0.18 -0.02 -0.07 -0.04 3.22 2.90 2ze1A1 LYS 412 H 0.06 0.29 -0.36 -0.55 8.42 7.86 2ze1A1 LYS 412 HA 0.11 -0.02 0.34 -0.75 4.32 3.99 2ze1A1 LYS 412 HB2 0.03 0.10 -0.16 -0.04 1.87 1.80 2ze1A1 LYS 412 HB3 0.05 0.03 0.23 -0.04 1.79 2.05 2ze1A1 LYS 412 HG2 0.03 0.00 0.04 -0.04 1.46 1.49 2ze1A1 LYS 412 HG3 0.02 0.03 -0.11 -0.04 1.46 1.37 2ze1A1 LYS 412 HD2 -0.01 -0.05 -0.01 -0.04 1.69 1.57 2ze1A1 LYS 412 HD3 0.01 -0.00 -0.01 -0.04 1.68 1.63 2ze1A1 LYS 412 HE2 0.02 0.21 0.01 -0.04 2.99 3.20 2ze1A1 LYS 412 HE3 -0.03 -0.10 -0.08 -0.04 2.99 2.73 2ze1A1 ARG 413 H 0.06 0.49 0.02 -0.55 8.46 8.47 2ze1A1 ARG 413 HA 0.09 0.04 0.68 -0.75 4.34 4.40 2ze1A1 ARG 413 HB2 0.14 -0.05 -0.20 -0.04 1.90 1.75 2ze1A1 ARG 413 HB3 0.02 0.20 -0.28 -0.04 1.80 1.70 2ze1A1 ARG 413 HG2 -0.08 -0.02 -0.46 -0.04 1.67 1.07 2ze1A1 ARG 413 HG3 -0.06 -0.12 -0.27 -0.04 1.67 1.18 2ze1A1 ARG 413 HD2 -0.45 -0.03 -0.20 -0.04 3.22 2.49 2ze1A1 ARG 413 HD3 -0.24 0.11 -0.15 -0.04 3.22 2.90 2ze1A1 ILE 414 H 0.10 0.79 0.22 -0.55 8.25 8.81 2ze1A1 ILE 414 HA -0.31 0.29 1.11 -0.75 4.18 4.52 2ze1A1 ILE 414 HB -0.08 0.02 0.07 -0.04 1.89 1.87 2ze1A1 ILE 414 HG12 -0.69 -0.01 -0.01 -0.04 1.49 0.74 2ze1A1 ILE 414 HG13 -0.07 -0.09 -0.49 -0.04 1.21 0.51 2ze1A1 ILE 414 HG23 -0.88 0.01 -0.15 -0.04 0.93 -0.12 2ze1A1 ILE 414 HD13 -0.05 -0.01 -0.14 -0.04 0.88 0.64 2ze1A1 GLY 415 H -0.42 0.36 0.29 -0.55 8.43 8.11 2ze1A1 GLY 415 HA2 -0.75 0.30 0.66 -0.51 4.01 3.70 2ze1A1 GLY 415 HA3 -1.09 -0.07 0.20 -0.51 4.01 2.55 2ze1A1 PHE 416 H -0.32 0.45 0.32 -0.55 8.34 8.24 2ze1A1 PHE 416 HA -0.22 0.30 0.98 -0.75 4.62 4.92 2ze1A1 PHE 416 HB2 0.01 0.02 0.12 -0.04 3.15 3.26 2ze1A1 PHE 416 HB3 -0.15 -0.00 -0.02 -0.04 3.06 2.84 2ze1A1 PHE 416 HD2 -0.10 0.05 -0.11 -0.04 7.28 7.07 2ze1A1 PHE 416 HE2 -0.14 0.00 -0.13 -0.04 7.38 7.08 2ze1A1 PHE 416 HZ -0.16 -0.05 -0.12 -0.04 7.32 6.95 2ze1A1 ALA 417 H 0.07 0.48 0.30 -0.55 8.40 8.70 2ze1A1 ALA 417 HA 0.12 0.23 0.72 -0.75 4.34 4.65 2ze1A1 ALA 417 HB3 -0.11 0.00 -0.14 -0.04 1.41 1.12 2ze1A1 VAL 418 H 0.16 0.19 0.20 -0.55 8.24 8.23 2ze1A1 VAL 418 HA 0.04 0.12 0.54 -0.75 4.13 4.08 2ze1A1 VAL 418 HB -0.03 0.03 0.16 -0.04 2.12 2.24 2ze1A1 VAL 418 HG13 -0.52 0.03 -0.07 -0.04 0.97 0.37 2ze1A1 VAL 418 HG23 0.01 0.00 0.02 -0.04 0.95 0.95 2ze1A1 SER 419 H -0.16 0.61 0.33 -0.55 8.46 8.69 2ze1A1 SER 419 HA 0.06 0.18 0.65 -0.75 4.49 4.63 2ze1A1 SER 419 HB2 0.09 -0.02 -0.57 -0.04 3.95 3.40 2ze1A1 SER 419 HB3 -0.01 -0.04 -0.14 -0.04 3.93 3.71 2ze1A1 ALA 420 H -0.01 0.67 0.19 -0.55 8.40 8.70 2ze1A1 ALA 420 HA 0.02 0.07 0.37 -0.75 4.34 4.04 2ze1A1 ALA 420 HB3 -0.03 -0.00 -0.01 -0.04 1.41 1.33 2ze1A1 CYS 421 H 0.04 -0.04 -0.38 -0.55 8.50 7.58 2ze1A1 CYS 421 HA 0.04 0.26 0.76 -0.75 4.58 4.89 2ze1A1 CYS 421 HB2 0.00 0.08 0.06 -0.04 2.97 3.07 2ze1A1 CYS 421 HB3 0.01 -0.05 -0.10 -0.04 2.97 2.79 2ze1A1 HIS 422 H 0.21 0.17 -0.19 -0.55 8.41 8.05 2ze1A1 HIS 422 HA -0.08 -0.01 0.39 -0.75 4.63 4.17 2ze1A1 HIS 422 HB2 -0.21 -0.01 0.18 -0.04 3.26 3.19 2ze1A1 HIS 422 HB3 -0.18 0.07 0.32 -0.04 3.20 3.37 2ze1A1 HIS 422 HD2 -0.08 0.08 -0.07 -0.04 6.97 6.86 2ze1A1 HIS 422 HE1 -0.63 -0.05 0.01 -0.04 7.75 7.05 2ze1A1 VAL 423 H -0.07 0.12 0.18 -0.55 8.24 7.92 2ze1A1 VAL 423 HA -0.14 0.17 0.81 -0.75 4.13 4.21 2ze1A1 VAL 423 HB -0.14 -0.02 0.12 -0.04 2.12 2.03 2ze1A1 VAL 423 HG13 -0.19 -0.02 -0.01 -0.04 0.97 0.72 2ze1A1 VAL 423 HG23 -0.07 0.02 0.02 -0.04 0.95 0.89 2ze1A1 HIS 424 H -0.32 0.33 0.26 -0.55 8.41 8.14 2ze1A1 HIS 424 HA -0.27 -0.01 0.74 -0.75 4.63 4.34 2ze1A1 HIS 424 HB2 -0.13 0.32 0.30 -0.04 3.26 3.71 2ze1A1 HIS 424 HB3 -0.24 -0.10 -0.15 -0.04 3.20 2.67 2ze1A1 HIS 424 HD2 -0.79 0.32 -0.11 -0.04 6.97 6.36 2ze1A1 HIS 424 HE1 -0.04 -0.06 -0.07 -0.04 7.75 7.54 2ze1A1 ASP 425 H -0.08 0.10 0.23 -0.55 8.40 8.10 2ze1A1 ASP 425 HA -0.14 0.23 0.85 -0.75 4.63 4.81 2ze1A1 ASP 425 HB2 0.04 -0.05 0.18 -0.04 2.71 2.84 2ze1A1 ASP 425 HB3 -0.12 0.08 0.11 -0.04 2.70 2.73 2ze1A1 GLU 426 H 0.07 0.16 0.14 -0.55 8.60 8.42 2ze1A1 GLU 426 HA 0.04 0.20 0.55 -0.75 4.29 4.33 2ze1A1 GLU 426 HB2 0.11 -0.03 0.16 -0.04 2.09 2.29 2ze1A1 GLU 426 HB3 0.08 0.02 0.22 -0.04 1.99 2.26 2ze1A1 GLU 426 HG2 -0.02 0.03 -0.02 -0.04 2.34 2.29 2ze1A1 GLU 426 HG3 0.02 -0.01 0.05 -0.04 2.34 2.36 2ze1A1 PHE 427 H 0.20 -0.07 -0.68 -0.55 8.34 7.24 2ze1A1 PHE 427 HA 0.03 0.22 0.88 -0.75 4.62 4.99 2ze1A1 PHE 427 HB2 0.03 -0.10 -0.05 -0.04 3.15 2.98 2ze1A1 PHE 427 HB3 0.03 0.03 -0.09 -0.04 3.06 2.99 2ze1A1 PHE 427 HD2 0.02 -0.06 -0.20 -0.04 7.28 7.00 2ze1A1 PHE 427 HE2 0.02 -0.02 -0.01 -0.04 7.38 7.33 2ze1A1 PHE 427 HZ 0.01 -0.02 0.00 -0.04 7.32 7.27 2ze1A1 ARG 428 H 0.15 0.03 0.09 -0.55 8.46 8.17 2ze1A1 ARG 428 HA 0.08 0.20 0.78 -0.75 4.34 4.65 2ze1A1 ARG 428 HB2 0.07 -0.07 -0.06 -0.04 1.90 1.81 2ze1A1 ARG 428 HB3 0.08 0.04 0.03 -0.04 1.80 1.90 2ze1A1 ARG 428 HG2 0.12 0.07 -0.12 -0.04 1.67 1.70 2ze1A1 ARG 428 HG3 0.19 -0.15 -0.64 -0.04 1.67 1.03 2ze1A1 ARG 428 HD2 0.12 -0.06 -0.10 -0.04 3.22 3.14 2ze1A1 ARG 428 HD3 0.08 -0.05 -0.08 -0.04 3.22 3.14 2ze1A1 THR 429 H 0.05 0.26 0.12 -0.55 8.28 8.16 2ze1A1 THR 429 HA 0.05 0.11 0.79 -0.75 4.39 4.59 2ze1A1 THR 429 HB 0.03 0.14 0.05 -0.04 4.32 4.49 2ze1A1 THR 429 HG23 -0.02 -0.01 -0.22 -0.04 1.22 0.93 2ze1A1 ALA 430 H 0.09 0.13 0.10 -0.55 8.40 8.18 2ze1A1 ALA 430 HA 0.00 0.20 0.63 -0.75 4.34 4.42 2ze1A1 ALA 430 HB3 -0.29 0.01 0.16 -0.04 1.41 1.25 2ze1A1 ALA 431 H 0.17 0.41 0.36 -0.55 8.40 8.80 2ze1A1 ALA 431 HA 0.04 0.14 0.87 -0.75 4.34 4.63 2ze1A1 ALA 431 HB3 0.03 0.01 -0.07 -0.04 1.41 1.34 2ze1A1 VAL 432 H 0.10 0.22 0.15 -0.55 8.24 8.16 2ze1A1 VAL 432 HA 0.02 0.34 0.88 -0.75 4.13 4.62 2ze1A1 VAL 432 HB 0.17 -0.04 0.26 -0.04 2.12 2.48 2ze1A1 VAL 432 HG13 0.15 0.08 -0.09 -0.04 0.97 1.07 2ze1A1 VAL 432 HG23 0.22 -0.03 -0.25 -0.04 0.95 0.86 2ze1A1 GLU 433 H -0.10 0.54 0.21 -0.55 8.60 8.70 2ze1A1 GLU 433 HA -0.10 0.19 0.96 -0.75 4.29 4.58 2ze1A1 GLU 433 HB2 0.07 -0.05 -0.02 -0.04 2.09 2.05 2ze1A1 GLU 433 HB3 0.05 0.04 0.00 -0.04 1.99 2.04 2ze1A1 GLU 433 HG2 0.03 0.09 -0.15 -0.04 2.34 2.27 2ze1A1 GLU 433 HG3 0.02 -0.16 -0.42 -0.04 2.34 1.73 2ze1A1 GLY 434 H -0.31 0.35 0.25 -0.55 8.43 8.17 2ze1A1 GLY 434 HA2 -0.54 0.03 0.34 -0.51 4.01 3.33 2ze1A1 GLY 434 HA3 -1.45 0.06 0.43 -0.51 4.01 2.54 2ze1A1 PRO 435 HA -0.44 0.23 0.58 -0.51 4.44 4.30 2ze1A1 PRO 435 HB2 0.05 0.02 0.03 -0.04 2.28 2.33 2ze1A1 PRO 435 HB3 0.23 -0.00 0.14 -0.04 2.02 2.35 2ze1A1 PRO 435 HG2 -0.00 0.01 0.04 -0.04 2.03 2.03 2ze1A1 PRO 435 HG3 0.18 0.02 0.08 -0.04 2.03 2.27 2ze1A1 PRO 435 HD2 -0.01 0.09 0.36 -0.04 3.68 4.07 2ze1A1 PRO 435 HD3 0.37 0.09 0.23 -0.04 3.65 4.30 2ze1A1 PHE 436 H 0.12 0.77 0.40 -0.55 8.34 9.07 2ze1A1 PHE 436 HA 0.01 0.14 0.61 -0.75 4.62 4.63 2ze1A1 PHE 436 HB2 0.11 -0.05 -0.10 -0.04 3.15 3.07 2ze1A1 PHE 436 HB3 0.07 0.03 -0.06 -0.04 3.06 3.06 2ze1A1 PHE 436 HD2 -0.04 -0.01 -0.08 -0.04 7.28 7.11 2ze1A1 PHE 436 HE2 -0.09 0.00 -0.23 -0.04 7.38 7.03 2ze1A1 PHE 436 HZ -0.04 -0.01 -0.13 -0.04 7.32 7.10 2ze1A1 VAL 437 H 0.12 0.17 0.09 -0.55 8.24 8.07 2ze1A1 VAL 437 HA 0.09 0.39 1.23 -0.75 4.13 5.09 2ze1A1 VAL 437 HB 0.06 -0.01 -0.07 -0.04 2.12 2.06 2ze1A1 VAL 437 HG13 0.04 -0.01 -0.00 -0.04 0.97 0.95 2ze1A1 VAL 437 HG23 0.04 0.01 -0.11 -0.04 0.95 0.85 2ze1A1 THR 438 H 0.06 0.81 0.19 -0.55 8.28 8.80 2ze1A1 THR 438 HA 0.02 0.20 0.67 -0.75 4.39 4.52 2ze1A1 THR 438 HB -0.01 0.02 -0.04 -0.04 4.32 4.25 2ze1A1 THR 438 HG23 0.01 0.01 -0.38 -0.04 1.22 0.82 2ze1A1 GLU 442 HA 0.01 -0.04 0.28 -0.75 4.29 3.79 2ze1A1 GLU 442 HB2 0.03 -0.04 -0.33 -0.04 2.09 1.70 2ze1A1 GLU 442 HB3 0.02 0.03 -1.15 -0.04 1.99 0.85 2ze1A1 GLU 442 HG2 0.04 0.03 -0.27 -0.04 2.34 2.10 2ze1A1 GLU 442 HG3 0.03 -0.00 0.30 -0.04 2.34 2.63 2ze1A1 ASP 443 H 0.02 0.22 0.08 -0.55 8.40 8.17 2ze1A1 ASP 443 HA 0.02 0.03 0.40 -0.75 4.63 4.33 2ze1A1 ASP 443 HB2 0.01 0.01 -0.10 -0.04 2.71 2.59 2ze1A1 ASP 443 HB3 0.01 -0.10 0.25 -0.04 2.70 2.82 2ze1A1 CYS 444 H 0.03 0.25 0.15 -0.55 8.50 8.38 2ze1A1 CYS 444 HA 0.05 -0.14 0.08 -0.75 4.58 3.82 2ze1A1 CYS 444 HB2 0.06 0.11 -0.32 -0.04 2.97 2.78 2ze1A1 CYS 444 HB3 0.08 0.09 -0.19 -0.04 2.97 2.91 2ze1A1 GLY 445 H 0.06 0.72 -0.04 -0.55 8.43 8.62 2ze1A1 GLY 445 HA2 0.12 0.03 0.52 -0.51 4.01 4.17 2ze1A1 GLY 445 HA3 0.08 0.04 0.27 -0.51 4.01 3.89 2ze1A1 TYR 446 H 0.23 0.24 0.08 -0.55 8.29 8.29 2ze1A1 TYR 446 HA 0.06 0.15 0.49 -0.75 4.56 4.51 2ze1A1 TYR 446 HB2 0.12 0.15 -0.06 -0.04 3.06 3.22 2ze1A1 TYR 446 HB3 0.12 0.14 0.12 -0.04 2.98 3.32 2ze1A1 TYR 446 HD2 0.10 0.08 0.02 -0.04 7.15 7.31 2ze1A1 TYR 446 HE2 0.07 -0.00 -0.02 -0.04 6.85 6.86