============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. HIS 3 0.900 51.741 66.196 -13.591 -99.200 -91.000 TYR 9 0.840 39.153 63.970 -36.263 -99.200 -91.000 HIS 17 0.900 40.796 52.045 -22.880 -99.200 -91.000 HIS 34 0.900 37.071 57.854 -22.781 -99.200 -91.000 PHE 41 1.000 28.854 54.373 -35.000 -99.200 -91.000 PHE 59 1.000 35.528 69.644 -11.299 -99.200 -91.000 TYR 60 0.840 37.343 69.088 -19.208 -99.200 -91.000 TYR 67 0.840 27.558 65.251 -30.698 -99.200 -91.000 TYR 70 0.840 14.542 63.792 -28.158 -99.200 -91.000 TYR 77 0.840 23.982 46.905 -29.804 -99.200 -91.000 TYR 82 0.840 17.921 45.216 -16.775 -99.200 -91.000 TYR 88 0.840 29.999 48.249 -23.488 -99.200 -91.000 PHE 107 1.000 21.294 72.912 -24.562 -99.200 -91.000 TYR 118 0.840 23.548 57.382 -24.877 -99.200 -91.000 HIS 128 0.900 38.905 72.633 -24.152 -99.200 -91.000 PHE 137 1.000 44.664 56.602 -32.719 -99.200 -91.000 TRP 157 1.040 33.807 75.174 -16.956 -99.200 -91.000 TRP6 157 1.020 35.144 74.607 -18.831 -99.200 -91.000 HIS 164 0.900 45.678 87.606 1.065 -99.200 -91.000 HIS 178 0.900 36.376 80.047 6.621 -99.200 -91.000 TRP 185 1.040 35.240 88.612 -2.752 -99.200 -91.000 TRP6 185 1.020 37.268 88.967 -1.584 -99.200 -91.000 PHE 188 1.000 33.909 82.613 -3.681 -99.200 -91.000 PHE 197 1.000 44.503 80.027 -10.847 -99.200 -91.000 PHE 216 1.000 44.093 70.292 -8.926 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1ze2B1 MET 1 HA -0.12 -0.03 0.19 -0.75 4.52 3.80 1ze2B1 MET 1 HB2 -0.08 0.01 0.05 -0.04 2.15 2.08 1ze2B1 MET 1 HB3 -0.19 -0.05 0.05 -0.04 2.03 1.81 1ze2B1 MET 1 HG2 -0.53 -0.04 -0.33 -0.04 2.63 1.68 1ze2B1 MET 1 HG3 -0.15 0.06 -0.05 -0.04 2.56 2.37 1ze2B1 MET 1 HE3 -0.01 0.01 0.01 -0.04 2.10 2.08 1ze2B1 LYS 2 H -0.14 0.14 0.02 -0.55 8.42 7.89 1ze2B1 LYS 2 HA -0.11 0.13 0.78 -0.75 4.32 4.37 1ze2B1 LYS 2 HB2 -0.06 -0.05 0.08 -0.04 1.87 1.80 1ze2B1 LYS 2 HB3 -0.05 0.09 -0.04 -0.04 1.79 1.76 1ze2B1 LYS 2 HG2 -0.06 -0.03 0.01 -0.04 1.46 1.34 1ze2B1 LYS 2 HG3 -0.04 0.02 0.02 -0.04 1.46 1.42 1ze2B1 LYS 2 HD2 -0.03 0.06 -0.05 -0.04 1.69 1.63 1ze2B1 LYS 2 HD3 -0.06 0.06 -0.35 -0.04 1.68 1.29 1ze2B1 LYS 2 HE2 -0.05 0.02 -0.10 -0.04 2.99 2.82 1ze2B1 LYS 2 HE3 -0.03 -0.04 -0.06 -0.04 2.99 2.82 1ze2B1 HIS 3 H -0.05 0.20 0.17 -0.55 8.41 8.19 1ze2B1 HIS 3 HA -0.00 0.23 0.75 -0.75 4.63 4.85 1ze2B1 HIS 3 HB2 -0.03 -0.02 0.16 -0.04 3.26 3.33 1ze2B1 HIS 3 HB3 -0.02 -0.11 0.10 -0.04 3.20 3.13 1ze2B1 HIS 3 HD2 -0.01 0.04 0.08 -0.04 6.97 7.03 1ze2B1 HIS 3 HE1 0.01 0.05 0.00 -0.04 7.75 7.77 1ze2B1 GLY 4 H 0.08 0.42 0.33 -0.55 8.43 8.71 1ze2B1 GLY 4 HA2 0.01 -0.04 0.23 -0.51 4.01 3.70 1ze2B1 GLY 4 HA3 0.01 0.37 0.90 -0.51 4.01 4.78 1ze2B1 ILE 5 H 0.02 0.55 0.25 -0.55 8.25 8.53 1ze2B1 ILE 5 HA 0.04 0.38 1.11 -0.75 4.18 4.95 1ze2B1 ILE 5 HB 0.09 0.03 0.12 -0.04 1.89 2.09 1ze2B1 ILE 5 HG12 0.49 -0.02 -0.03 -0.04 1.49 1.90 1ze2B1 ILE 5 HG13 0.18 -0.01 -0.07 -0.04 1.21 1.27 1ze2B1 ILE 5 HG23 -0.11 -0.05 -0.13 -0.04 0.93 0.61 1ze2B1 ILE 5 HD13 0.17 0.05 -0.31 -0.04 0.88 0.76 1ze2B1 LEU 6 H -0.05 0.38 0.22 -0.55 8.37 8.37 1ze2B1 LEU 6 HA -0.07 0.20 0.80 -0.75 4.35 4.53 1ze2B1 LEU 6 HB2 -0.03 0.05 -0.26 -0.04 1.64 1.36 1ze2B1 LEU 6 HB3 -0.03 -0.09 -0.06 -0.04 1.64 1.42 1ze2B1 LEU 6 HG -0.03 0.00 -0.22 -0.04 1.64 1.34 1ze2B1 LEU 6 HD13 -0.04 -0.06 -0.26 -0.04 0.93 0.54 1ze2B1 LEU 6 HD23 -0.04 0.14 -0.19 -0.04 0.89 0.77 1ze2B1 VAL 7 H -0.15 0.18 0.08 -0.55 8.24 7.81 1ze2B1 VAL 7 HA -0.15 0.02 0.45 -0.75 4.13 3.69 1ze2B1 VAL 7 HB -0.07 0.10 -0.08 -0.04 2.12 2.03 1ze2B1 VAL 7 HG13 -0.05 -0.01 -0.20 -0.04 0.97 0.66 1ze2B1 VAL 7 HG23 -0.39 -0.01 -0.01 -0.04 0.95 0.49 1ze2B1 ALA 8 H -0.05 0.34 0.34 -0.55 8.40 8.48 1ze2B1 ALA 8 HA 0.02 0.13 1.08 -0.75 4.34 4.81 1ze2B1 ALA 8 HB3 -0.02 0.02 0.06 -0.04 1.41 1.43 1ze2B1 TYR 9 H 0.14 0.63 0.41 -0.55 8.29 8.92 1ze2B1 TYR 9 HA -0.00 0.57 1.00 -0.75 4.56 5.37 1ze2B1 TYR 9 HB2 0.01 -0.03 -0.12 -0.04 3.06 2.87 1ze2B1 TYR 9 HB3 0.03 -0.14 -0.05 -0.04 2.98 2.78 1ze2B1 TYR 9 HD2 0.02 0.02 -0.14 -0.04 7.15 7.01 1ze2B1 TYR 9 HE2 0.01 -0.02 -0.10 -0.04 6.85 6.70 1ze2B1 LYS 10 H -0.80 0.20 0.18 -0.55 8.42 7.45 1ze2B1 LYS 10 HA 0.05 0.12 0.92 -0.75 4.32 4.66 1ze2B1 LYS 10 HB2 -0.12 -0.05 -0.21 -0.04 1.87 1.45 1ze2B1 LYS 10 HB3 -0.19 0.07 0.13 -0.04 1.79 1.76 1ze2B1 LYS 10 HG2 -0.05 0.22 -0.14 -0.04 1.46 1.44 1ze2B1 LYS 10 HG3 0.04 -0.13 -0.04 -0.04 1.46 1.29 1ze2B1 LYS 10 HD2 -0.08 -0.14 -0.35 -0.04 1.69 1.08 1ze2B1 LYS 10 HD3 -0.11 -0.09 -0.08 -0.04 1.68 1.36 1ze2B1 LYS 10 HE2 -0.14 -0.03 -0.20 -0.04 2.99 2.58 1ze2B1 LYS 10 HE3 -0.14 0.00 -0.05 -0.04 2.99 2.77 1ze2B1 PRO 11 HA 0.20 -0.02 0.35 -0.51 4.44 4.46 1ze2B1 PRO 11 HB2 -0.05 0.04 -0.08 -0.04 2.28 2.15 1ze2B1 PRO 11 HB3 0.08 0.01 0.07 -0.04 2.02 2.15 1ze2B1 PRO 11 HG2 0.15 0.02 -0.00 -0.04 2.03 2.15 1ze2B1 PRO 11 HG3 0.38 0.01 0.01 -0.04 2.03 2.39 1ze2B1 PRO 11 HD2 0.16 0.10 0.10 -0.04 3.68 4.00 1ze2B1 PRO 11 HD3 0.38 0.13 -0.18 -0.04 3.65 3.94 1ze2B1 LYS 12 H 0.05 0.03 0.13 -0.55 8.42 8.08 1ze2B1 LYS 12 HA -0.01 0.33 0.46 -0.75 4.32 4.34 1ze2B1 LYS 12 HB2 0.03 -0.08 0.15 -0.04 1.87 1.94 1ze2B1 LYS 12 HB3 0.06 -0.02 0.06 -0.04 1.79 1.85 1ze2B1 LYS 12 HG2 0.05 0.12 0.04 -0.04 1.46 1.63 1ze2B1 LYS 12 HG3 0.07 -0.11 0.11 -0.04 1.46 1.49 1ze2B1 LYS 12 HD2 0.05 -0.08 0.06 -0.04 1.69 1.69 1ze2B1 LYS 12 HD3 0.08 0.07 0.11 -0.04 1.68 1.90 1ze2B1 LYS 12 HE2 0.06 -0.02 0.06 -0.04 2.99 3.04 1ze2B1 LYS 12 HE3 0.07 0.03 0.11 -0.04 2.99 3.16 1ze2B1 GLY 13 H -0.04 0.34 -0.29 -0.55 8.43 7.90 1ze2B1 GLY 13 HA2 -0.02 -0.09 0.24 -0.51 4.01 3.63 1ze2B1 GLY 13 HA3 -0.05 0.18 0.77 -0.51 4.01 4.40 1ze2B1 PRO 14 HA -0.09 -0.04 0.52 -0.51 4.44 4.32 1ze2B1 PRO 14 HB2 -0.10 0.01 -0.08 -0.04 2.28 2.06 1ze2B1 PRO 14 HB3 -0.29 -0.02 -0.00 -0.04 2.02 1.66 1ze2B1 PRO 14 HG2 -0.11 0.19 -0.08 -0.04 2.03 1.99 1ze2B1 PRO 14 HG3 -0.31 -0.04 -0.12 -0.04 2.03 1.51 1ze2B1 PRO 14 HD2 -0.10 0.20 -0.82 -0.04 3.68 2.92 1ze2B1 PRO 14 HD3 -0.18 0.07 -0.22 -0.04 3.65 3.29 1ze2B1 THR 15 H -0.04 0.04 0.17 -0.55 8.28 7.90 1ze2B1 THR 15 HA -0.10 0.18 0.45 -0.75 4.39 4.17 1ze2B1 THR 15 HB -0.04 -0.07 0.15 -0.04 4.32 4.32 1ze2B1 THR 15 HG23 -0.07 0.04 0.07 -0.04 1.22 1.22 1ze2B1 SER 16 H -0.10 0.22 0.19 -0.55 8.46 8.23 1ze2B1 SER 16 HA -0.13 0.21 0.40 -0.75 4.49 4.21 1ze2B1 SER 16 HB2 -0.21 0.44 0.34 -0.04 3.95 4.47 1ze2B1 SER 16 HB3 -0.33 -0.10 0.13 -0.04 3.93 3.59 1ze2B1 HIS 17 H 0.10 0.08 -0.20 -0.55 8.41 7.85 1ze2B1 HIS 17 HA 0.11 0.10 0.45 -0.75 4.63 4.54 1ze2B1 HIS 17 HB2 0.11 0.00 0.07 -0.04 3.26 3.41 1ze2B1 HIS 17 HB3 0.04 0.02 -0.04 -0.04 3.20 3.17 1ze2B1 HIS 17 HD2 0.12 -0.02 0.08 -0.04 6.97 7.11 1ze2B1 HIS 17 HE1 0.04 0.03 0.00 -0.04 7.75 7.78 1ze2B1 ASP 18 H 0.05 0.38 -0.60 -0.55 8.40 7.68 1ze2B1 ASP 18 HA 0.00 0.05 0.42 -0.75 4.63 4.35 1ze2B1 ASP 18 HB2 0.06 0.42 0.05 -0.04 2.71 3.20 1ze2B1 ASP 18 HB3 0.16 0.03 -0.07 -0.04 2.70 2.78 1ze2B1 VAL 19 H 0.10 0.36 -0.24 -0.55 8.24 7.91 1ze2B1 VAL 19 HA -0.06 0.04 0.34 -0.75 4.13 3.69 1ze2B1 VAL 19 HB 0.01 0.06 0.04 -0.04 2.12 2.19 1ze2B1 VAL 19 HG13 -0.06 -0.01 -0.07 -0.04 0.97 0.79 1ze2B1 VAL 19 HG23 0.13 0.03 0.02 -0.04 0.95 1.09 1ze2B1 VAL 20 H 0.05 0.24 -0.24 -0.55 8.24 7.73 1ze2B1 VAL 20 HA 0.02 0.03 0.23 -0.75 4.13 3.66 1ze2B1 VAL 20 HB 0.02 0.15 0.09 -0.04 2.12 2.34 1ze2B1 VAL 20 HG13 0.14 -0.01 -0.20 -0.04 0.97 0.85 1ze2B1 VAL 20 HG23 0.32 0.02 -0.01 -0.04 0.95 1.25 1ze2B1 ASP 21 H -0.18 0.45 -0.23 -0.55 8.40 7.90 1ze2B1 ASP 21 HA -0.09 0.01 0.37 -0.75 4.63 4.17 1ze2B1 ASP 21 HB2 -0.09 0.12 0.12 -0.04 2.71 2.82 1ze2B1 ASP 21 HB3 -0.06 -0.02 -0.04 -0.04 2.70 2.54 1ze2B1 GLU 22 H -0.09 0.48 -0.28 -0.55 8.60 8.16 1ze2B1 GLU 22 HA -0.11 -0.02 0.35 -0.75 4.29 3.76 1ze2B1 GLU 22 HB2 -0.45 -0.01 0.06 -0.04 2.09 1.65 1ze2B1 GLU 22 HB3 -0.57 0.19 0.14 -0.04 1.99 1.70 1ze2B1 GLU 22 HG2 -1.38 -0.12 -0.27 -0.04 2.34 0.53 1ze2B1 GLU 22 HG3 -0.43 -0.00 -0.29 -0.04 2.34 1.58 1ze2B1 VAL 23 H -0.12 0.48 -0.34 -0.55 8.24 7.71 1ze2B1 VAL 23 HA -0.10 0.02 0.48 -0.75 4.13 3.77 1ze2B1 VAL 23 HB -0.04 0.12 0.13 -0.04 2.12 2.30 1ze2B1 VAL 23 HG13 -0.03 -0.01 -0.25 -0.04 0.97 0.63 1ze2B1 VAL 23 HG23 -0.08 0.03 -0.14 -0.04 0.95 0.72 1ze2B1 ARG 24 H -0.04 0.70 0.08 -0.55 8.46 8.65 1ze2B1 ARG 24 HA -0.02 0.00 0.28 -0.75 4.34 3.85 1ze2B1 ARG 24 HB2 -0.00 -0.17 -0.15 -0.04 1.90 1.53 1ze2B1 ARG 24 HB3 0.00 0.09 0.08 -0.04 1.80 1.93 1ze2B1 ARG 24 HG2 -0.04 0.19 0.19 -0.04 1.67 1.97 1ze2B1 ARG 24 HG3 -0.02 -0.08 -0.09 -0.04 1.67 1.44 1ze2B1 ARG 24 HD2 0.00 0.05 -0.35 -0.04 3.22 2.88 1ze2B1 ARG 24 HD3 -0.05 -0.14 -0.23 -0.04 3.22 2.75 1ze2B1 LYS 25 H -0.05 0.18 -1.14 -0.55 8.42 6.85 1ze2B1 LYS 25 HA -0.02 0.04 0.52 -0.75 4.32 4.10 1ze2B1 LYS 25 HB2 -0.03 0.10 0.02 -0.04 1.87 1.92 1ze2B1 LYS 25 HB3 -0.05 0.14 0.11 -0.04 1.79 1.95 1ze2B1 LYS 25 HG2 -0.02 0.00 -0.26 -0.04 1.46 1.14 1ze2B1 LYS 25 HG3 -0.01 -0.05 -0.03 -0.04 1.46 1.32 1ze2B1 LYS 25 HD2 -0.00 -0.02 -0.06 -0.04 1.69 1.56 1ze2B1 LYS 25 HD3 -0.01 0.03 -0.03 -0.04 1.68 1.63 1ze2B1 LYS 25 HE2 0.01 -0.03 -0.04 -0.04 2.99 2.90 1ze2B1 LYS 25 HE3 -0.00 -0.00 -0.05 -0.04 2.99 2.90 1ze2B1 LYS 26 H -0.06 0.41 0.07 -0.55 8.42 8.29 1ze2B1 LYS 26 HA -0.03 0.02 0.45 -0.75 4.32 4.01 1ze2B1 LYS 26 HB2 -0.05 -0.02 0.17 -0.04 1.87 1.93 1ze2B1 LYS 26 HB3 -0.04 -0.13 -0.02 -0.04 1.79 1.56 1ze2B1 LYS 26 HG2 -0.08 0.27 0.20 -0.04 1.46 1.81 1ze2B1 LYS 26 HG3 -0.07 0.02 -0.02 -0.04 1.46 1.34 1ze2B1 LYS 26 HD2 -0.03 -0.11 0.04 -0.04 1.69 1.55 1ze2B1 LYS 26 HD3 -0.03 -0.05 -0.00 -0.04 1.68 1.55 1ze2B1 LYS 26 HE2 -0.02 -0.08 0.01 -0.04 2.99 2.86 1ze2B1 LYS 26 HE3 -0.05 -0.02 0.02 -0.04 2.99 2.91 1ze2B1 LEU 27 H -0.04 0.39 0.02 -0.55 8.37 8.18 1ze2B1 LEU 27 HA -0.03 0.03 0.37 -0.75 4.35 3.97 1ze2B1 LEU 27 HB2 -0.03 0.07 -0.11 -0.04 1.64 1.53 1ze2B1 LEU 27 HB3 -0.04 -0.04 -0.06 -0.04 1.64 1.47 1ze2B1 LEU 27 HG -0.04 -0.03 -0.02 -0.04 1.64 1.50 1ze2B1 LEU 27 HD13 -0.04 0.00 -0.14 -0.04 0.93 0.72 1ze2B1 LEU 27 HD23 -0.04 -0.01 -0.02 -0.04 0.89 0.78 1ze2B1 LYS 28 H -0.03 0.06 -1.19 -0.55 8.42 6.71 1ze2B1 LYS 28 HA -0.01 0.22 0.28 -0.75 4.32 4.06 1ze2B1 LYS 28 HB2 -0.02 0.14 -0.11 -0.04 1.87 1.84 1ze2B1 LYS 28 HB3 -0.01 -0.14 0.20 -0.04 1.79 1.80 1ze2B1 LYS 28 HG2 -0.01 -0.01 0.06 -0.04 1.46 1.46 1ze2B1 LYS 28 HG3 -0.02 0.26 -0.10 -0.04 1.46 1.56 1ze2B1 LYS 28 HD2 -0.01 -0.02 -0.01 -0.04 1.69 1.60 1ze2B1 LYS 28 HD3 -0.01 -0.09 0.03 -0.04 1.68 1.57 1ze2B1 LYS 28 HE2 -0.01 0.04 0.04 -0.04 2.99 3.02 1ze2B1 LYS 28 HE3 -0.01 -0.09 0.02 -0.04 2.99 2.87 1ze2B1 THR 29 H -0.01 0.31 -0.03 -0.55 8.28 8.01 1ze2B1 THR 29 HA -0.00 0.07 0.69 -0.75 4.39 4.40 1ze2B1 THR 29 HB -0.01 -0.00 -0.15 -0.04 4.32 4.12 1ze2B1 THR 29 HG23 0.01 -0.11 -0.05 -0.04 1.22 1.03 1ze2B1 ARG 30 H 0.01 0.18 0.11 -0.55 8.46 8.20 1ze2B1 ARG 30 HA 0.02 0.11 0.44 -0.75 4.34 4.16 1ze2B1 ARG 30 HB2 0.02 -0.02 0.08 -0.04 1.90 1.94 1ze2B1 ARG 30 HB3 0.03 0.01 0.07 -0.04 1.80 1.87 1ze2B1 ARG 30 HG2 0.01 0.01 0.05 -0.04 1.67 1.70 1ze2B1 ARG 30 HG3 0.02 0.00 0.03 -0.04 1.67 1.68 1ze2B1 ARG 30 HD2 0.02 0.03 -0.03 -0.04 3.22 3.19 1ze2B1 ARG 30 HD3 0.01 0.02 -0.03 -0.04 3.22 3.19 1ze2B1 LYS 31 H 0.02 0.02 -0.28 -0.55 8.42 7.63 1ze2B1 LYS 31 HA 0.04 0.08 0.39 -0.75 4.32 4.08 1ze2B1 LYS 31 HB2 0.03 0.01 0.13 -0.04 1.87 2.01 1ze2B1 LYS 31 HB3 0.05 -0.14 0.27 -0.04 1.79 1.93 1ze2B1 LYS 31 HG2 0.04 -0.01 0.01 -0.04 1.46 1.45 1ze2B1 LYS 31 HG3 0.06 -0.02 0.00 -0.04 1.46 1.46 1ze2B1 LYS 31 HD2 0.05 0.04 -0.06 -0.04 1.69 1.68 1ze2B1 LYS 31 HD3 0.04 0.04 -0.05 -0.04 1.68 1.66 1ze2B1 LYS 31 HE2 0.03 0.02 -0.08 -0.04 2.99 2.92 1ze2B1 LYS 31 HE3 0.03 0.00 -0.05 -0.04 2.99 2.94 1ze2B1 VAL 32 H 0.04 0.70 0.36 -0.55 8.24 8.80 1ze2B1 VAL 32 HA 0.05 0.34 0.75 -0.75 4.13 4.51 1ze2B1 VAL 32 HB 0.03 0.00 -0.01 -0.04 2.12 2.10 1ze2B1 VAL 32 HG13 0.03 -0.03 -0.14 -0.04 0.97 0.79 1ze2B1 VAL 32 HG23 0.01 -0.03 -0.41 -0.04 0.95 0.48 1ze2B1 GLY 33 H 0.06 0.43 0.27 -0.55 8.43 8.65 1ze2B1 GLY 33 HA2 0.06 0.09 0.63 -0.51 4.01 4.28 1ze2B1 GLY 33 HA3 0.01 0.04 0.32 -0.51 4.01 3.87 1ze2B1 HIS 34 H -0.18 0.11 0.13 -0.55 8.41 7.92 1ze2B1 HIS 34 HA 0.04 0.26 1.01 -0.75 4.63 5.18 1ze2B1 HIS 34 HB2 0.02 0.20 0.01 -0.04 3.26 3.46 1ze2B1 HIS 34 HB3 0.04 -0.00 0.02 -0.04 3.20 3.22 1ze2B1 HIS 34 HD2 0.03 -0.15 -0.75 -0.04 6.97 6.06 1ze2B1 HIS 34 HE1 0.02 -0.05 -0.06 -0.04 7.75 7.62 1ze2B1 GLY 35 H 0.14 0.23 -0.17 -0.55 8.43 8.08 1ze2B1 GLY 35 HA2 0.13 0.07 0.49 -0.51 4.01 4.19 1ze2B1 GLY 35 HA3 0.24 0.08 0.33 -0.51 4.01 4.14 1ze2B1 GLY 36 H 0.24 0.27 -0.55 -0.55 8.43 7.83 1ze2B1 GLY 36 HA2 0.12 -0.05 0.32 -0.51 4.01 3.88 1ze2B1 GLY 36 HA3 0.11 0.24 0.70 -0.51 4.01 4.55 1ze2B1 THR 37 H 0.15 0.08 0.11 -0.55 8.28 8.06 1ze2B1 THR 37 HA 0.03 0.02 0.45 -0.75 4.39 4.13 1ze2B1 THR 37 HB 0.07 0.01 -0.05 -0.04 4.32 4.30 1ze2B1 THR 37 HG23 0.31 -0.01 0.05 -0.04 1.22 1.53 1ze2B1 LEU 38 H -0.16 0.12 0.23 -0.55 8.37 8.02 1ze2B1 LEU 38 HA -0.04 0.11 0.81 -0.75 4.35 4.47 1ze2B1 LEU 38 HB2 -0.09 0.04 -0.11 -0.04 1.64 1.45 1ze2B1 LEU 38 HB3 -0.12 0.05 0.02 -0.04 1.64 1.55 1ze2B1 LEU 38 HG 0.01 -0.03 0.04 -0.04 1.64 1.62 1ze2B1 LEU 38 HD13 -0.09 0.02 -0.15 -0.04 0.93 0.67 1ze2B1 LEU 38 HD23 -0.04 0.01 -0.01 -0.04 0.89 0.82 1ze2B1 ASP 39 H -0.09 0.11 0.10 -0.55 8.40 7.97 1ze2B1 ASP 39 HA -0.20 -0.01 0.40 -0.75 4.63 4.06 1ze2B1 ASP 39 HB2 -0.31 0.03 0.05 -0.04 2.71 2.45 1ze2B1 ASP 39 HB3 -0.87 -0.04 0.05 -0.04 2.70 1.80 1ze2B1 PRO 40 HA -0.18 0.47 0.29 -0.51 4.44 4.51 1ze2B1 PRO 40 HB2 -0.24 -0.17 0.15 -0.04 2.28 1.98 1ze2B1 PRO 40 HB3 -0.12 0.26 -0.12 -0.04 2.02 2.00 1ze2B1 PRO 40 HG2 -0.17 0.04 0.07 -0.04 2.03 1.93 1ze2B1 PRO 40 HG3 -0.16 -0.06 0.04 -0.04 2.03 1.81 1ze2B1 PRO 40 HD2 -0.61 0.09 0.19 -0.04 3.68 3.31 1ze2B1 PRO 40 HD3 -0.26 0.06 0.22 -0.04 3.65 3.63 1ze2B1 PHE 41 H -0.61 0.11 0.03 -0.55 8.34 7.31 1ze2B1 PHE 41 HA -0.03 -0.02 0.33 -0.75 4.62 4.15 1ze2B1 PHE 41 HB2 -0.02 0.04 0.06 -0.04 3.15 3.20 1ze2B1 PHE 41 HB3 -0.03 -0.00 0.09 -0.04 3.06 3.08 1ze2B1 PHE 41 HD2 -0.02 0.05 -0.18 -0.04 7.28 7.09 1ze2B1 PHE 41 HE2 -0.03 0.01 -0.05 -0.04 7.38 7.28 1ze2B1 PHE 41 HZ -0.01 0.01 -0.02 -0.04 7.32 7.26 1ze2B1 ALA 42 H -0.33 -0.04 -1.21 -0.55 8.40 6.27 1ze2B1 ALA 42 HA 0.12 0.09 0.73 -0.75 4.34 4.52 1ze2B1 ALA 42 HB3 0.03 -0.02 -0.05 -0.04 1.41 1.33 1ze2B1 CYS 43 H 0.01 0.07 0.15 -0.55 8.50 8.19 1ze2B1 CYS 43 HA -0.22 0.59 0.65 -0.75 4.58 4.85 1ze2B1 CYS 43 HB2 -0.36 -0.13 -0.04 -0.04 2.97 2.40 1ze2B1 CYS 43 HB3 -0.05 -0.07 -0.05 -0.04 2.97 2.76 1ze2B1 GLY 44 H -0.75 0.03 0.18 -0.55 8.43 7.34 1ze2B1 GLY 44 HA2 -0.17 0.03 0.20 -0.51 4.01 3.56 1ze2B1 GLY 44 HA3 -0.16 0.05 0.80 -0.51 4.01 4.19 1ze2B1 VAL 45 H -0.12 0.35 0.29 -0.55 8.24 8.21 1ze2B1 VAL 45 HA -0.06 0.39 1.09 -0.75 4.13 4.80 1ze2B1 VAL 45 HB -0.07 -0.06 0.04 -0.04 2.12 1.98 1ze2B1 VAL 45 HG13 -0.04 -0.04 -0.20 -0.04 0.97 0.65 1ze2B1 VAL 45 HG23 0.01 0.17 0.07 -0.04 0.95 1.16 1ze2B1 LEU 46 H -0.06 0.56 0.27 -0.55 8.37 8.60 1ze2B1 LEU 46 HA -0.06 0.17 0.83 -0.75 4.35 4.54 1ze2B1 LEU 46 HB2 -0.09 0.03 -0.21 -0.04 1.64 1.33 1ze2B1 LEU 46 HB3 -0.05 -0.05 -0.04 -0.04 1.64 1.45 1ze2B1 LEU 46 HG -0.02 0.17 -0.15 -0.04 1.64 1.61 1ze2B1 LEU 46 HD13 -0.19 -0.01 0.03 -0.04 0.93 0.71 1ze2B1 LEU 46 HD23 -0.12 -0.04 -0.03 -0.04 0.89 0.66 1ze2B1 ILE 47 H -0.03 0.20 0.04 -0.55 8.25 7.91 1ze2B1 ILE 47 HA -0.15 0.08 0.50 -0.75 4.18 3.86 1ze2B1 ILE 47 HB -0.01 -0.16 0.04 -0.04 1.89 1.72 1ze2B1 ILE 47 HG12 -0.29 0.08 0.05 -0.04 1.49 1.29 1ze2B1 ILE 47 HG13 -0.18 -0.02 -0.03 -0.04 1.21 0.93 1ze2B1 ILE 47 HG23 -0.44 0.01 -0.01 -0.04 0.93 0.46 1ze2B1 ILE 47 HD13 -0.01 0.06 -0.02 -0.04 0.88 0.87 1ze2B1 ILE 48 H -0.07 0.15 0.12 -0.55 8.25 7.90 1ze2B1 ILE 48 HA 0.07 0.13 0.84 -0.75 4.18 4.46 1ze2B1 ILE 48 HB -0.02 0.30 0.08 -0.04 1.89 2.21 1ze2B1 ILE 48 HG12 0.01 0.08 -0.73 -0.04 1.49 0.80 1ze2B1 ILE 48 HG13 -0.01 -0.03 -0.19 -0.04 1.21 0.94 1ze2B1 ILE 48 HG23 0.01 -0.03 -0.32 -0.04 0.93 0.55 1ze2B1 ILE 48 HD13 0.09 -0.03 -0.08 -0.04 0.88 0.82 1ze2B1 GLY 49 H 0.08 0.51 0.22 -0.55 8.43 8.70 1ze2B1 GLY 49 HA2 0.08 0.36 0.84 -0.51 4.01 4.77 1ze2B1 GLY 49 HA3 0.10 0.03 -0.04 -0.51 4.01 3.59 1ze2B1 VAL 50 H 0.04 0.80 0.17 -0.55 8.24 8.71 1ze2B1 VAL 50 HA 0.03 0.26 0.91 -0.75 4.13 4.58 1ze2B1 VAL 50 HB 0.00 -0.01 -0.02 -0.04 2.12 2.05 1ze2B1 VAL 50 HG13 -0.02 -0.01 -0.11 -0.04 0.97 0.79 1ze2B1 VAL 50 HG23 -0.00 0.01 -0.27 -0.04 0.95 0.65 1ze2B1 ASN 51 H 0.05 0.87 0.27 -0.55 8.53 9.17 1ze2B1 ASN 51 HA 0.09 0.03 0.36 -0.75 4.76 4.48 1ze2B1 ASN 51 HB2 0.13 0.15 -0.05 -0.04 2.88 3.07 1ze2B1 ASN 51 HB3 0.34 -0.06 0.17 -0.04 2.79 3.19 1ze2B1 ASN 51 HD21 -0.08 0.03 -0.14 -0.04 7.03 6.80 1ze2B1 ASN 51 HD22 -0.12 0.38 -0.34 -0.04 7.74 7.62 1ze2B1 GLN 52 H 0.51 0.20 0.23 -0.55 8.47 8.86 1ze2B1 GLN 52 HA 0.08 0.08 0.42 -0.75 4.36 4.18 1ze2B1 GLN 52 HB2 -0.07 -0.01 0.14 -0.04 2.15 2.17 1ze2B1 GLN 52 HB3 0.00 0.03 0.06 -0.04 2.02 2.06 1ze2B1 GLN 52 HG2 -0.10 0.00 0.07 -0.04 2.40 2.33 1ze2B1 GLN 52 HG3 -0.84 0.02 0.07 -0.04 2.39 1.60 1ze2B1 GLN 52 HE21 -0.01 0.05 0.03 -0.04 6.97 7.00 1ze2B1 GLN 52 HE22 0.01 -0.01 0.01 -0.04 7.69 7.66 1ze2B1 GLY 53 H 0.11 0.44 -0.43 -0.55 8.43 8.01 1ze2B1 GLY 53 HA2 0.04 0.06 0.32 -0.51 4.01 3.92 1ze2B1 GLY 53 HA3 0.07 0.27 0.35 -0.51 4.01 4.19 1ze2B1 THR 54 H 0.09 0.61 -0.65 -0.55 8.28 7.78 1ze2B1 THR 54 HA 0.10 0.06 0.39 -0.75 4.39 4.19 1ze2B1 THR 54 HB 0.07 0.13 -0.19 -0.04 4.32 4.29 1ze2B1 THR 54 HG23 0.06 0.05 -0.22 -0.04 1.22 1.07 1ze2B1 ARG 55 H 0.10 0.31 -0.34 -0.55 8.46 7.99 1ze2B1 ARG 55 HA 0.08 0.02 0.33 -0.75 4.34 4.01 1ze2B1 ARG 55 HB2 0.22 0.08 0.05 -0.04 1.90 2.20 1ze2B1 ARG 55 HB3 0.07 -0.03 0.05 -0.04 1.80 1.86 1ze2B1 ARG 55 HG2 0.09 -0.08 0.08 -0.04 1.67 1.72 1ze2B1 ARG 55 HG3 0.12 -0.00 0.14 -0.04 1.67 1.89 1ze2B1 ARG 55 HD2 0.03 -0.02 0.02 -0.04 3.22 3.21 1ze2B1 ARG 55 HD3 0.03 -0.03 -0.02 -0.04 3.22 3.16 1ze2B1 ILE 56 H 0.13 0.22 -0.55 -0.55 8.25 7.50 1ze2B1 ILE 56 HA 0.25 0.11 0.67 -0.75 4.18 4.46 1ze2B1 ILE 56 HB -0.11 -0.02 0.08 -0.04 1.89 1.80 1ze2B1 ILE 56 HG12 0.04 -0.05 -0.04 -0.04 1.49 1.41 1ze2B1 ILE 56 HG13 0.10 0.13 -0.09 -0.04 1.21 1.31 1ze2B1 ILE 56 HG23 0.01 0.01 -0.11 -0.04 0.93 0.80 1ze2B1 ILE 56 HD13 -0.09 -0.01 -0.05 -0.04 0.88 0.69 1ze2B1 LEU 57 H 0.15 0.39 -0.60 -0.55 8.37 7.76 1ze2B1 LEU 57 HA 0.24 0.09 0.42 -0.75 4.35 4.35 1ze2B1 LEU 57 HB2 0.10 0.39 0.08 -0.04 1.64 2.17 1ze2B1 LEU 57 HB3 0.09 -0.11 0.06 -0.04 1.64 1.64 1ze2B1 LEU 57 HG 0.12 -0.10 -0.20 -0.04 1.64 1.42 1ze2B1 LEU 57 HD13 0.11 -0.04 -0.43 -0.04 0.93 0.53 1ze2B1 LEU 57 HD23 -0.00 0.04 -0.13 -0.04 0.89 0.75 1ze2B1 GLU 58 H 0.10 0.19 0.01 -0.55 8.60 8.35 1ze2B1 GLU 58 HA 0.03 0.03 0.34 -0.75 4.29 3.93 1ze2B1 GLU 58 HB2 -0.15 0.02 0.02 -0.04 2.09 1.93 1ze2B1 GLU 58 HB3 -0.03 0.02 0.11 -0.04 1.99 2.05 1ze2B1 GLU 58 HG2 0.09 0.08 0.08 -0.04 2.34 2.55 1ze2B1 GLU 58 HG3 -0.19 -0.04 -0.06 -0.04 2.34 2.01 1ze2B1 PHE 59 H 0.30 0.13 -0.54 -0.55 8.34 7.68 1ze2B1 PHE 59 HA 0.04 0.05 0.33 -0.75 4.62 4.28 1ze2B1 PHE 59 HB2 -0.22 0.13 -0.05 -0.04 3.15 2.97 1ze2B1 PHE 59 HB3 0.01 0.01 0.13 -0.04 3.06 3.16 1ze2B1 PHE 59 HD2 0.03 -0.03 -0.04 -0.04 7.28 7.19 1ze2B1 PHE 59 HE2 0.02 0.01 -0.04 -0.04 7.38 7.33 1ze2B1 PHE 59 HZ 0.01 0.01 -0.06 -0.04 7.32 7.24 1ze2B1 TYR 60 H 0.16 0.25 -0.61 -0.55 8.29 7.54 1ze2B1 TYR 60 HA 0.23 0.12 0.97 -0.75 4.56 5.13 1ze2B1 TYR 60 HB2 0.15 0.12 0.13 -0.04 3.06 3.43 1ze2B1 TYR 60 HB3 0.14 0.04 0.12 -0.04 2.98 3.23 1ze2B1 TYR 60 HD2 0.29 0.02 0.10 -0.04 7.15 7.52 1ze2B1 TYR 60 HE2 0.46 -0.04 0.01 -0.04 6.85 7.24 1ze2B1 LYS 61 H 0.13 0.29 0.13 -0.55 8.42 8.41 1ze2B1 LYS 61 HA 0.09 0.05 0.36 -0.75 4.32 4.06 1ze2B1 LYS 61 HB2 0.02 0.10 0.14 -0.04 1.87 2.09 1ze2B1 LYS 61 HB3 0.03 -0.03 0.03 -0.04 1.79 1.78 1ze2B1 LYS 61 HG2 0.05 -0.04 0.03 -0.04 1.46 1.46 1ze2B1 LYS 61 HG3 0.07 -0.01 0.06 -0.04 1.46 1.54 1ze2B1 LYS 61 HD2 -0.00 0.01 0.06 -0.04 1.69 1.71 1ze2B1 LYS 61 HD3 0.01 0.00 0.02 -0.04 1.68 1.66 1ze2B1 LYS 61 HE2 0.01 -0.01 0.00 -0.04 2.99 2.95 1ze2B1 LYS 61 HE3 0.02 -0.03 -0.00 -0.04 2.99 2.94 1ze2B1 ASP 62 H 0.05 0.00 -0.60 -0.55 8.40 7.31 1ze2B1 ASP 62 HA 0.01 0.06 0.47 -0.75 4.63 4.42 1ze2B1 ASP 62 HB2 -0.01 0.00 -0.01 -0.04 2.71 2.66 1ze2B1 ASP 62 HB3 -0.02 -0.02 -0.03 -0.04 2.70 2.59 1ze2B1 LEU 63 H -0.05 0.06 -0.08 -0.55 8.37 7.76 1ze2B1 LEU 63 HA -0.24 -0.11 0.34 -0.75 4.35 3.59 1ze2B1 LEU 63 HB2 -0.02 0.18 -0.03 -0.04 1.64 1.72 1ze2B1 LEU 63 HB3 -0.17 -0.01 -0.22 -0.04 1.64 1.20 1ze2B1 LEU 63 HG -0.39 -0.03 0.17 -0.04 1.64 1.35 1ze2B1 LEU 63 HD13 0.01 0.04 0.21 -0.04 0.93 1.15 1ze2B1 LEU 63 HD23 -1.19 -0.06 0.14 -0.04 0.89 -0.26 1ze2B1 LYS 64 H -0.13 -0.02 0.20 -0.55 8.42 7.91 1ze2B1 LYS 64 HA 0.09 0.20 0.78 -0.75 4.32 4.63 1ze2B1 LYS 64 HB2 -0.07 -0.08 0.12 -0.04 1.87 1.80 1ze2B1 LYS 64 HB3 0.11 0.08 0.12 -0.04 1.79 2.07 1ze2B1 LYS 64 HG2 -0.12 0.03 0.03 -0.04 1.46 1.35 1ze2B1 LYS 64 HG3 -0.12 -0.05 0.07 -0.04 1.46 1.33 1ze2B1 LYS 64 HD2 -0.22 -0.04 0.04 -0.04 1.69 1.43 1ze2B1 LYS 64 HD3 -0.52 -0.00 -0.00 -0.04 1.68 1.11 1ze2B1 LYS 64 HE2 -0.30 0.02 -0.00 -0.04 2.99 2.67 1ze2B1 LYS 64 HE3 -0.19 -0.02 0.01 -0.04 2.99 2.74 1ze2B1 LYS 65 H 0.15 0.52 0.33 -0.55 8.42 8.86 1ze2B1 LYS 65 HA -0.01 0.51 1.18 -0.75 4.32 5.24 1ze2B1 LYS 65 HB2 0.26 -0.00 0.03 -0.04 1.87 2.11 1ze2B1 LYS 65 HB3 -0.08 -0.06 0.05 -0.04 1.79 1.65 1ze2B1 LYS 65 HG2 0.08 -0.04 -0.04 -0.04 1.46 1.42 1ze2B1 LYS 65 HG3 -0.03 -0.00 -0.04 -0.04 1.46 1.35 1ze2B1 LYS 65 HD2 0.05 -0.03 -0.42 -0.04 1.69 1.25 1ze2B1 LYS 65 HD3 0.10 -0.04 -0.10 -0.04 1.68 1.60 1ze2B1 LYS 65 HE2 0.05 -0.11 -0.04 -0.04 2.99 2.85 1ze2B1 LYS 65 HE3 0.03 -0.05 -0.11 -0.04 2.99 2.83 1ze2B1 VAL 66 H -0.19 0.19 0.28 -0.55 8.24 7.97 1ze2B1 VAL 66 HA 0.09 0.32 1.12 -0.75 4.13 4.91 1ze2B1 VAL 66 HB -0.05 -0.10 0.13 -0.04 2.12 2.05 1ze2B1 VAL 66 HG13 0.02 -0.00 -0.12 -0.04 0.97 0.83 1ze2B1 VAL 66 HG23 0.02 0.01 -0.17 -0.04 0.95 0.77 1ze2B1 TYR 67 H 0.21 0.71 0.29 -0.55 8.29 8.94 1ze2B1 TYR 67 HA 0.02 0.39 0.65 -0.75 4.56 4.87 1ze2B1 TYR 67 HB2 0.03 -0.01 0.00 -0.04 3.06 3.04 1ze2B1 TYR 67 HB3 0.03 0.09 0.02 -0.04 2.98 3.07 1ze2B1 TYR 67 HD2 0.02 0.08 -0.18 -0.04 7.15 7.03 1ze2B1 TYR 67 HE2 -0.00 -0.01 -0.06 -0.04 6.85 6.74 1ze2B1 GLY 108 HA2 -0.01 -0.04 0.14 -0.51 4.01 3.59 1ze2B1 GLY 108 HA3 -0.04 -0.07 0.20 -0.51 4.01 3.59 1ze2B1 GLU 109 H 0.09 -0.02 0.12 -0.55 8.60 8.24 1ze2B1 GLU 109 HA 0.04 0.06 0.42 -0.75 4.29 4.06 1ze2B1 GLU 109 HB2 0.03 0.06 -0.37 -0.04 2.09 1.77 1ze2B1 GLU 109 HB3 0.04 -0.06 0.06 -0.04 1.99 1.99 1ze2B1 GLU 109 HG2 0.02 0.05 0.17 -0.04 2.34 2.54 1ze2B1 GLU 109 HG3 0.03 -0.05 0.04 -0.04 2.34 2.33 1ze2B1 TYR 110 H 0.48 0.03 0.15 -0.55 8.29 8.40 1ze2B1 TYR 110 HA -0.02 0.10 0.55 -0.75 4.56 4.45 1ze2B1 TYR 110 HB2 -0.02 -0.03 0.09 -0.04 3.06 3.07 1ze2B1 TYR 110 HB3 -0.02 -0.05 0.10 -0.04 2.98 2.97 1ze2B1 TYR 110 HD2 -0.03 -0.05 -0.01 -0.04 7.15 7.02 1ze2B1 TYR 110 HE2 -0.03 0.04 -0.07 -0.04 6.85 6.74 1ze2B1 ASP 111 H -0.02 0.11 0.06 -0.55 8.40 8.00 1ze2B1 ASP 111 HA -0.27 0.28 1.03 -0.75 4.63 4.92 1ze2B1 ASP 111 HB2 -0.06 -0.06 0.16 -0.04 2.71 2.71 1ze2B1 ASP 111 HB3 -0.09 -0.01 -0.04 -0.04 2.70 2.52 1ze2B1 GLN 112 H -0.77 0.21 0.02 -0.55 8.47 7.39 1ze2B1 GLN 112 HA -0.12 0.01 0.43 -0.75 4.36 3.93 1ze2B1 GLN 112 HB2 -0.60 -0.01 0.05 -0.04 2.15 1.56 1ze2B1 GLN 112 HB3 -0.19 0.01 -0.04 -0.04 2.02 1.76 1ze2B1 GLN 112 HG2 -0.01 -0.02 0.08 -0.04 2.40 2.41 1ze2B1 GLN 112 HG3 0.16 -0.08 0.05 -0.04 2.39 2.47 1ze2B1 GLN 112 HE21 0.10 0.44 0.01 -0.04 6.97 7.48 1ze2B1 GLN 112 HE22 0.01 -0.20 -0.16 -0.04 7.69 7.30 1ze2B1 VAL 113 H -0.05 0.11 0.16 -0.55 8.24 7.92 1ze2B1 VAL 113 HA -0.08 0.21 0.78 -0.75 4.13 4.29 1ze2B1 VAL 113 HB -0.05 -0.10 0.12 -0.04 2.12 2.05 1ze2B1 VAL 113 HG13 -0.08 0.10 -0.09 -0.04 0.97 0.87 1ze2B1 VAL 113 HG23 -0.04 0.02 0.03 -0.04 0.95 0.92 1ze2B1 PRO 114 HA -0.53 0.08 0.39 -0.51 4.44 3.88 1ze2B1 PRO 114 HB2 -0.20 -0.03 0.02 -0.04 2.28 2.03 1ze2B1 PRO 114 HB3 -0.45 -0.04 0.05 -0.04 2.02 1.53 1ze2B1 PRO 114 HG2 -0.08 0.02 0.01 -0.04 2.03 1.94 1ze2B1 PRO 114 HG3 -0.11 0.07 0.04 -0.04 2.03 1.98 1ze2B1 PRO 114 HD2 -0.10 0.04 0.04 -0.04 3.68 3.61 1ze2B1 PRO 114 HD3 -0.09 0.23 0.10 -0.04 3.65 3.85 1ze2B1 PRO 115 HA -0.06 0.05 0.45 -0.51 4.44 4.37 1ze2B1 PRO 115 HB2 0.07 -0.09 0.02 -0.04 2.28 2.24 1ze2B1 PRO 115 HB3 0.00 0.07 0.12 -0.04 2.02 2.17 1ze2B1 PRO 115 HG2 -0.11 0.09 0.01 -0.04 2.03 1.97 1ze2B1 PRO 115 HG3 0.03 -0.01 0.07 -0.04 2.03 2.08 1ze2B1 PRO 115 HD2 -1.07 -0.01 0.20 -0.04 3.68 2.76 1ze2B1 PRO 115 HD3 -0.23 0.30 0.17 -0.04 3.65 3.85 1ze2B1 ALA 116 H -0.00 0.10 0.09 -0.55 8.40 8.04 1ze2B1 ALA 116 HA -0.13 0.29 0.28 -0.75 4.34 4.02 1ze2B1 ALA 116 HB3 -0.12 -0.02 0.03 -0.04 1.41 1.26 1ze2B1 TYR 117 H 0.30 0.05 -0.37 -0.55 8.29 7.72 1ze2B1 TYR 117 HA 0.09 0.04 0.57 -0.75 4.56 4.50 1ze2B1 TYR 117 HB2 0.09 -0.01 0.12 -0.04 3.06 3.22 1ze2B1 TYR 117 HB3 0.13 -0.03 0.01 -0.04 2.98 3.05 1ze2B1 TYR 117 HD2 0.07 -0.02 -0.01 -0.04 7.15 7.15 1ze2B1 TYR 117 HE2 0.04 0.03 -0.13 -0.04 6.85 6.74 1ze2B1 SER 118 H 0.09 0.17 0.16 -0.55 8.46 8.33 1ze2B1 SER 118 HA 0.26 0.14 0.65 -0.75 4.49 4.79 1ze2B1 SER 118 HB2 -0.03 0.05 -0.05 -0.04 3.95 3.88 1ze2B1 SER 118 HB3 0.12 -0.14 0.14 -0.04 3.93 4.00 1ze2B1 ALA 119 H 0.27 0.22 0.16 -0.55 8.40 8.51 1ze2B1 ALA 119 HA 0.14 0.04 0.57 -0.75 4.34 4.34 1ze2B1 ALA 119 HB3 0.18 0.02 0.11 -0.04 1.41 1.68 1ze2B1 LYS 120 H 0.09 -0.04 -0.34 -0.55 8.42 7.58 1ze2B1 LYS 120 HA 0.04 0.07 0.44 -0.75 4.32 4.12 1ze2B1 LYS 120 HB2 -0.01 0.01 -0.02 -0.04 1.87 1.80 1ze2B1 LYS 120 HB3 0.01 0.13 0.08 -0.04 1.79 1.97 1ze2B1 LYS 120 HG2 0.17 -0.16 0.04 -0.04 1.46 1.48 1ze2B1 LYS 120 HG3 0.00 0.09 0.02 -0.04 1.46 1.53 1ze2B1 LYS 120 HD2 0.05 0.07 0.04 -0.04 1.69 1.80 1ze2B1 LYS 120 HD3 0.08 -0.04 0.02 -0.04 1.68 1.70 1ze2B1 LYS 120 HE2 0.16 0.07 0.02 -0.04 2.99 3.20 1ze2B1 LYS 120 HE3 0.10 0.03 0.01 -0.04 2.99 3.09 1ze2B1 LYS 121 H 0.01 0.12 0.18 -0.55 8.42 8.18 1ze2B1 LYS 121 HA -0.02 0.23 1.03 -0.75 4.32 4.81 1ze2B1 LYS 121 HB2 0.00 -0.00 0.06 -0.04 1.87 1.88 1ze2B1 LYS 121 HB3 -0.01 -0.27 0.13 -0.04 1.79 1.60 1ze2B1 LYS 121 HG2 -0.05 0.14 -0.15 -0.04 1.46 1.36 1ze2B1 LYS 121 HG3 -0.02 0.02 -0.10 -0.04 1.46 1.31 1ze2B1 LYS 121 HD2 -0.01 -0.01 -0.04 -0.04 1.69 1.59 1ze2B1 LYS 121 HD3 -0.02 -0.14 -0.09 -0.04 1.68 1.38 1ze2B1 LYS 121 HE2 -0.02 0.00 -0.05 -0.04 2.99 2.88 1ze2B1 LYS 121 HE3 -0.04 0.03 -0.24 -0.04 2.99 2.70 1ze2B1 TYR 122 H 0.05 -0.02 0.16 -0.55 8.29 7.92 1ze2B1 TYR 122 HA -0.04 0.22 0.70 -0.75 4.56 4.69 1ze2B1 TYR 122 HB2 -0.05 0.14 -0.20 -0.04 3.06 2.91 1ze2B1 TYR 122 HB3 -0.05 -0.11 -0.04 -0.04 2.98 2.73 1ze2B1 TYR 122 HD2 -0.04 -0.00 -0.01 -0.04 7.15 7.06 1ze2B1 TYR 122 HE2 -0.03 0.00 -0.03 -0.04 6.85 6.75 1ze2B1 LYS 123 H -0.05 -0.04 0.11 -0.55 8.42 7.89 1ze2B1 LYS 123 HA -0.22 0.24 0.72 -0.75 4.32 4.31 1ze2B1 LYS 123 HB2 -0.25 -0.04 0.09 -0.04 1.87 1.63 1ze2B1 LYS 123 HB3 -0.22 0.04 0.21 -0.04 1.79 1.78 1ze2B1 LYS 123 HG2 -1.64 -0.04 -0.53 -0.04 1.46 -0.80 1ze2B1 LYS 123 HG3 -0.63 -0.00 -0.05 -0.04 1.46 0.74 1ze2B1 LYS 123 HD2 -0.35 0.16 0.26 -0.04 1.69 1.71 1ze2B1 LYS 123 HD3 -0.49 0.00 0.02 -0.04 1.68 1.17 1ze2B1 LYS 123 HE2 -0.18 -0.03 0.06 -0.04 2.99 2.80 1ze2B1 LYS 123 HE3 -0.16 0.00 0.04 -0.04 2.99 2.83 1ze2B1 GLY 124 H -0.06 0.16 0.01 -0.55 8.43 8.00 1ze2B1 GLY 124 HA2 -0.04 0.05 0.35 -0.51 4.01 3.86 1ze2B1 GLY 124 HA3 -0.05 0.20 0.68 -0.51 4.01 4.33 1ze2B1 GLU 125 H -0.04 -0.20 -0.41 -0.55 8.60 7.40 1ze2B1 GLU 125 HA -0.04 0.22 0.70 -0.75 4.29 4.42 1ze2B1 GLU 125 HB2 -0.00 -0.06 -0.09 -0.04 2.09 1.90 1ze2B1 GLU 125 HB3 -0.03 0.02 0.08 -0.04 1.99 2.01 1ze2B1 GLU 125 HG2 -0.02 0.06 -0.07 -0.04 2.34 2.27 1ze2B1 GLU 125 HG3 -0.03 0.05 -0.18 -0.04 2.34 2.14 1ze2B1 ARG 126 H -0.13 0.15 0.17 -0.55 8.46 8.10 1ze2B1 ARG 126 HA -0.17 0.33 0.83 -0.75 4.34 4.57 1ze2B1 ARG 126 HB2 -0.41 -0.05 0.15 -0.04 1.90 1.54 1ze2B1 ARG 126 HB3 -1.00 -0.03 0.05 -0.04 1.80 0.77 1ze2B1 ARG 126 HG2 -0.13 0.08 -0.12 -0.04 1.67 1.45 1ze2B1 ARG 126 HG3 -0.13 -0.01 -0.01 -0.04 1.67 1.48 1ze2B1 ARG 126 HD2 -0.08 -0.08 0.04 -0.04 3.22 3.06 1ze2B1 ARG 126 HD3 -0.27 -0.00 0.11 -0.04 3.22 3.02 1ze2B1 LEU 127 H -0.16 0.91 0.26 -0.55 8.37 8.84 1ze2B1 LEU 127 HA -0.11 -0.02 0.42 -0.75 4.35 3.89 1ze2B1 LEU 127 HB2 -0.05 0.20 0.28 -0.04 1.64 2.03 1ze2B1 LEU 127 HB3 -0.08 0.31 0.19 -0.04 1.64 2.01 1ze2B1 LEU 127 HG -0.05 0.12 -0.30 -0.04 1.64 1.37 1ze2B1 LEU 127 HD13 -0.08 -0.00 -0.13 -0.04 0.93 0.68 1ze2B1 LEU 127 HD23 -0.11 0.02 -0.09 -0.04 0.89 0.67 1ze2B1 TYR 128 H -0.18 0.47 0.08 -0.55 8.29 8.11 1ze2B1 TYR 128 HA 0.02 0.05 0.43 -0.75 4.56 4.31 1ze2B1 TYR 128 HB2 0.17 0.03 0.03 -0.04 3.06 3.24 1ze2B1 TYR 128 HB3 0.14 -0.02 -0.03 -0.04 2.98 3.03 1ze2B1 TYR 128 HD2 0.07 0.00 -0.42 -0.04 7.15 6.77 1ze2B1 TYR 128 HE2 0.05 0.00 -0.04 -0.04 6.85 6.81 1ze2B1 LYS 129 H -0.24 0.30 -0.51 -0.55 8.42 7.43 1ze2B1 LYS 129 HA 0.18 0.11 0.57 -0.75 4.32 4.42 1ze2B1 LYS 129 HB2 0.00 -0.05 0.08 -0.04 1.87 1.86 1ze2B1 LYS 129 HB3 -0.08 0.12 0.17 -0.04 1.79 1.95 1ze2B1 LYS 129 HG2 0.03 0.01 -0.12 -0.04 1.46 1.34 1ze2B1 LYS 129 HG3 0.08 0.01 0.07 -0.04 1.46 1.57 1ze2B1 LYS 129 HD2 0.03 -0.01 0.04 -0.04 1.69 1.71 1ze2B1 LYS 129 HD3 -0.01 -0.06 0.03 -0.04 1.68 1.60 1ze2B1 LYS 129 HE2 0.02 0.01 -0.01 -0.04 2.99 2.97 1ze2B1 LYS 129 HE3 0.04 0.01 0.01 -0.04 2.99 3.01 1ze2B1 LEU 130 H -0.07 0.40 0.03 -0.55 8.37 8.19 1ze2B1 LEU 130 HA -0.01 0.05 0.60 -0.75 4.35 4.23 1ze2B1 LEU 130 HB2 -0.07 0.13 0.19 -0.04 1.64 1.84 1ze2B1 LEU 130 HB3 -0.04 0.05 0.03 -0.04 1.64 1.64 1ze2B1 LEU 130 HG -0.02 -0.01 -0.05 -0.04 1.64 1.52 1ze2B1 LEU 130 HD13 0.08 -0.02 -0.11 -0.04 0.93 0.84 1ze2B1 LEU 130 HD23 0.02 -0.00 -0.03 -0.04 0.89 0.83 1ze2B1 ALA 131 H -0.17 0.73 0.10 -0.55 8.40 8.51 1ze2B1 ALA 131 HA -0.25 0.08 -0.03 -0.75 4.34 3.38 1ze2B1 ALA 131 HB3 -1.00 0.03 -0.12 -0.04 1.41 0.28 1ze2B1 ARG 132 H 0.00 0.14 -0.77 -0.55 8.46 7.28 1ze2B1 ARG 132 HA 0.16 0.11 0.58 -0.75 4.34 4.43 1ze2B1 ARG 132 HB2 0.13 0.09 0.07 -0.04 1.90 2.16 1ze2B1 ARG 132 HB3 0.12 -0.05 -0.01 -0.04 1.80 1.82 1ze2B1 ARG 132 HG2 0.38 -0.04 -0.05 -0.04 1.67 1.92 1ze2B1 ARG 132 HG3 0.35 0.22 0.06 -0.04 1.67 2.25 1ze2B1 ARG 132 HD2 0.16 -0.00 0.01 -0.04 3.22 3.35 1ze2B1 ARG 132 HD3 0.12 -0.03 -0.00 -0.04 3.22 3.27 1ze2B1 GLU 133 H 0.02 0.28 -0.14 -0.55 8.60 8.21 1ze2B1 GLU 133 HA 0.03 0.02 0.47 -0.75 4.29 4.06 1ze2B1 GLU 133 HB2 0.01 -0.01 0.25 -0.04 2.09 2.30 1ze2B1 GLU 133 HB3 0.01 -0.09 0.14 -0.04 1.99 2.02 1ze2B1 GLU 133 HG2 0.03 -0.05 0.08 -0.04 2.34 2.36 1ze2B1 GLU 133 HG3 0.04 0.20 0.15 -0.04 2.34 2.68 1ze2B1 GLY 134 H -0.00 0.20 -0.99 -0.55 8.43 7.10 1ze2B1 GLY 134 HA2 0.01 0.02 0.21 -0.51 4.01 3.73 1ze2B1 GLY 134 HA3 0.00 0.12 0.82 -0.51 4.01 4.45 1ze2B1 LYS 135 H -0.02 0.14 -0.17 -0.55 8.42 7.81 1ze2B1 LYS 135 HA -0.04 0.05 0.39 -0.75 4.32 3.96 1ze2B1 LYS 135 HB2 -0.03 -0.06 0.06 -0.04 1.87 1.80 1ze2B1 LYS 135 HB3 -0.05 0.01 -0.09 -0.04 1.79 1.63 1ze2B1 LYS 135 HG2 0.01 -0.01 -0.03 -0.04 1.46 1.39 1ze2B1 LYS 135 HG3 -0.01 0.02 -0.05 -0.04 1.46 1.38 1ze2B1 LYS 135 HD2 -0.01 -0.01 -0.07 -0.04 1.69 1.57 1ze2B1 LYS 135 HD3 0.01 -0.04 -0.02 -0.04 1.68 1.58 1ze2B1 LYS 135 HE2 0.01 -0.03 -0.02 -0.04 2.99 2.91 1ze2B1 LYS 135 HE3 0.00 0.02 -0.03 -0.04 2.99 2.94 1ze2B1 ILE 136 H -0.06 0.23 0.20 -0.55 8.25 8.07 1ze2B1 ILE 136 HA -0.18 0.05 0.54 -0.75 4.18 3.84 1ze2B1 ILE 136 HB -0.05 -0.02 0.23 -0.04 1.89 2.00 1ze2B1 ILE 136 HG12 -0.12 -0.02 0.01 -0.04 1.49 1.32 1ze2B1 ILE 136 HG13 -0.05 0.22 0.07 -0.04 1.21 1.42 1ze2B1 ILE 136 HG23 -0.07 -0.03 -0.06 -0.04 0.93 0.73 1ze2B1 ILE 136 HD13 0.03 -0.02 0.04 -0.04 0.88 0.90 1ze2B1 ILE 137 H -0.17 0.29 0.15 -0.55 8.25 7.97 1ze2B1 ILE 137 HA -0.18 0.10 0.74 -0.75 4.18 4.09 1ze2B1 ILE 137 HB -0.26 -0.02 0.04 -0.04 1.89 1.61 1ze2B1 ILE 137 HG12 -0.25 0.00 -0.17 -0.04 1.49 1.03 1ze2B1 ILE 137 HG13 -0.16 0.07 -0.36 -0.04 1.21 0.72 1ze2B1 ILE 137 HG23 -0.62 0.01 -0.17 -0.04 0.93 0.11 1ze2B1 ILE 137 HD13 -0.22 -0.03 -0.07 -0.04 0.88 0.52 1ze2B1 ASN 138 H -0.15 0.16 0.17 -0.55 8.53 8.16 1ze2B1 ASN 138 HA -0.12 0.26 0.77 -0.75 4.76 4.92 1ze2B1 ASN 138 HB2 -0.08 -0.05 0.04 -0.04 2.88 2.74 1ze2B1 ASN 138 HB3 -0.08 0.08 -0.00 -0.04 2.79 2.75 1ze2B1 ASN 138 HD21 -0.05 -0.15 -0.04 -0.04 7.03 6.74 1ze2B1 ASN 138 HD22 -0.07 0.20 -0.08 -0.04 7.74 7.76 1ze2B1 LEU 139 H -0.10 0.23 0.09 -0.55 8.37 8.04 1ze2B1 LEU 139 HA -0.08 0.21 0.99 -0.75 4.35 4.71 1ze2B1 LEU 139 HB2 -0.07 -0.00 0.01 -0.04 1.64 1.53 1ze2B1 LEU 139 HB3 -0.04 0.07 0.12 -0.04 1.64 1.75 1ze2B1 LEU 139 HG -0.12 -0.07 -0.45 -0.04 1.64 0.96 1ze2B1 LEU 139 HD13 -0.03 -0.00 -0.07 -0.04 0.93 0.78 1ze2B1 LEU 139 HD23 -0.09 0.02 -0.09 -0.04 0.89 0.69 1ze2B1 PRO 140 HA -0.03 0.07 0.52 -0.51 4.44 4.50 1ze2B1 PRO 140 HB2 -0.01 0.10 0.05 -0.04 2.28 2.37 1ze2B1 PRO 140 HB3 -0.01 -0.03 0.13 -0.04 2.02 2.06 1ze2B1 PRO 140 HG2 -0.01 0.04 0.16 -0.04 2.03 2.17 1ze2B1 PRO 140 HG3 0.00 -0.00 0.11 -0.04 2.03 2.10 1ze2B1 PRO 140 HD2 -0.02 0.07 0.24 -0.04 3.68 3.93 1ze2B1 PRO 140 HD3 -0.02 0.11 0.18 -0.04 3.65 3.88 1ze2B1 PRO 141 HA -0.06 0.16 0.43 -0.51 4.44 4.46 1ze2B1 PRO 141 HB2 -0.08 -0.07 -0.03 -0.04 2.28 2.06 1ze2B1 PRO 141 HB3 -0.07 0.12 -0.14 -0.04 2.02 1.89 1ze2B1 PRO 141 HG2 -0.03 -0.05 0.00 -0.04 2.03 1.91 1ze2B1 PRO 141 HG3 -0.03 -0.00 0.07 -0.04 2.03 2.02 1ze2B1 PRO 141 HD2 -0.03 -0.01 0.23 -0.04 3.68 3.83 1ze2B1 PRO 141 HD3 -0.04 0.15 0.23 -0.04 3.65 3.96 1ze2B1 LYS 142 H -0.08 0.33 0.21 -0.55 8.42 8.33 1ze2B1 LYS 142 HA -0.03 0.13 0.77 -0.75 4.32 4.44 1ze2B1 LYS 142 HB2 -0.01 0.07 -0.07 -0.04 1.87 1.82 1ze2B1 LYS 142 HB3 -0.02 0.03 -0.01 -0.04 1.79 1.76 1ze2B1 LYS 142 HG2 -0.01 -0.18 0.10 -0.04 1.46 1.33 1ze2B1 LYS 142 HG3 0.01 -0.01 -0.02 -0.04 1.46 1.39 1ze2B1 LYS 142 HD2 0.00 0.05 -0.23 -0.04 1.69 1.47 1ze2B1 LYS 142 HD3 -0.02 -0.05 -0.80 -0.04 1.68 0.76 1ze2B1 LYS 142 HE2 0.01 0.12 -0.13 -0.04 2.99 2.95 1ze2B1 LYS 142 HE3 0.00 -0.07 -0.04 -0.04 2.99 2.85 1ze2B1 ARG 143 H -0.02 0.13 0.07 -0.55 8.46 8.09 1ze2B1 ARG 143 HA -0.05 0.12 0.35 -0.75 4.34 4.00 1ze2B1 ARG 143 HB2 -0.01 -0.03 0.13 -0.04 1.90 1.95 1ze2B1 ARG 143 HB3 -0.00 -0.01 0.22 -0.04 1.80 1.97 1ze2B1 ARG 143 HG2 0.01 -0.04 0.03 -0.04 1.67 1.63 1ze2B1 ARG 143 HG3 0.00 -0.00 -0.05 -0.04 1.67 1.58 1ze2B1 ARG 143 HD2 0.01 -0.02 -0.04 -0.04 3.22 3.13 1ze2B1 ARG 143 HD3 -0.01 0.14 -0.13 -0.04 3.22 3.18 1ze2B1 VAL 144 H -0.14 0.53 0.43 -0.55 8.24 8.51 1ze2B1 VAL 144 HA -0.07 0.10 0.72 -0.75 4.13 4.13 1ze2B1 VAL 144 HB -0.14 0.00 0.01 -0.04 2.12 1.96 1ze2B1 VAL 144 HG13 -0.04 -0.01 -0.16 -0.04 0.97 0.72 1ze2B1 VAL 144 HG23 -0.42 0.15 0.26 -0.04 0.95 0.90 1ze2B1 LYS 145 H -0.09 0.15 0.11 -0.55 8.42 8.03 1ze2B1 LYS 145 HA -0.05 0.10 0.58 -0.75 4.32 4.20 1ze2B1 LYS 145 HB2 -0.18 0.10 0.14 -0.04 1.87 1.88 1ze2B1 LYS 145 HB3 -0.04 -0.01 0.05 -0.04 1.79 1.75 1ze2B1 LYS 145 HG2 -0.41 -0.09 -0.07 -0.04 1.46 0.85 1ze2B1 LYS 145 HG3 0.12 -0.01 -0.03 -0.04 1.46 1.50 1ze2B1 LYS 145 HD2 0.03 -0.01 0.01 -0.04 1.69 1.68 1ze2B1 LYS 145 HD3 -0.02 0.03 0.20 -0.04 1.68 1.84 1ze2B1 LYS 145 HE2 0.08 0.05 0.08 -0.04 2.99 3.16 1ze2B1 LYS 145 HE3 0.22 -0.05 0.06 -0.04 2.99 3.18 1ze2B1 ILE 146 H -0.19 0.53 0.15 -0.55 8.25 8.19 1ze2B1 ILE 146 HA -0.36 0.16 0.93 -0.75 4.18 4.16 1ze2B1 ILE 146 HB -0.06 0.28 0.08 -0.04 1.89 2.15 1ze2B1 ILE 146 HG12 -0.03 -0.03 -0.06 -0.04 1.49 1.33 1ze2B1 ILE 146 HG13 -0.03 0.10 -0.13 -0.04 1.21 1.12 1ze2B1 ILE 146 HG23 -0.04 -0.01 0.08 -0.04 0.93 0.92 1ze2B1 ILE 146 HD13 0.16 -0.11 -0.35 -0.04 0.88 0.54 1ze2B1 PHE 147 H -0.15 0.32 0.18 -0.55 8.34 8.14 1ze2B1 PHE 147 HA 0.02 0.24 0.98 -0.75 4.62 5.11 1ze2B1 PHE 147 HB2 0.02 -0.03 -0.01 -0.04 3.15 3.09 1ze2B1 PHE 147 HB3 0.01 -0.01 0.08 -0.04 3.06 3.10 1ze2B1 PHE 147 HD2 0.02 0.03 -0.19 -0.04 7.28 7.10 1ze2B1 PHE 147 HE2 0.01 0.07 -0.33 -0.04 7.38 7.09 1ze2B1 PHE 147 HZ 0.01 0.01 -0.07 -0.04 7.32 7.23 1ze2B1 LYS 148 H 0.07 0.23 0.25 -0.55 8.42 8.41 1ze2B1 LYS 148 HA 0.06 0.07 0.36 -0.75 4.32 4.05 1ze2B1 LYS 148 HB2 0.06 -0.05 0.12 -0.04 1.87 1.95 1ze2B1 LYS 148 HB3 0.09 0.33 0.07 -0.04 1.79 2.24 1ze2B1 LYS 148 HG2 0.12 -0.05 -0.16 -0.04 1.46 1.33 1ze2B1 LYS 148 HG3 0.08 -0.06 -0.20 -0.04 1.46 1.23 1ze2B1 LYS 148 HD2 0.05 0.00 -0.14 -0.04 1.69 1.57 1ze2B1 LYS 148 HD3 0.05 0.01 -0.11 -0.04 1.68 1.59 1ze2B1 LYS 148 HE2 0.05 0.06 -0.03 -0.04 2.99 3.04 1ze2B1 LYS 148 HE3 0.05 -0.00 -0.07 -0.04 2.99 2.92 1ze2B1 ILE 149 H 0.03 0.12 0.06 -0.55 8.25 7.91 1ze2B1 ILE 149 HA 0.03 0.29 0.73 -0.75 4.18 4.47 1ze2B1 ILE 149 HB 0.01 -0.03 0.07 -0.04 1.89 1.90 1ze2B1 ILE 149 HG12 -0.01 0.08 -0.31 -0.04 1.49 1.21 1ze2B1 ILE 149 HG13 0.01 -0.14 -0.33 -0.04 1.21 0.70 1ze2B1 ILE 149 HG23 0.00 0.02 -0.00 -0.04 0.93 0.90 1ze2B1 ILE 149 HD13 -0.02 0.01 -0.02 -0.04 0.88 0.81 1ze2B1 ARG 162 HA 0.07 -0.11 0.35 -0.75 4.34 3.89 1ze2B1 ARG 162 HB2 0.04 -0.02 -0.15 -0.04 1.90 1.73 1ze2B1 ARG 162 HB3 0.04 -0.05 -0.07 -0.04 1.80 1.69 1ze2B1 ARG 162 HG2 0.03 0.00 0.03 -0.04 1.67 1.70 1ze2B1 ARG 162 HG3 0.03 -0.04 -0.02 -0.04 1.67 1.60 1ze2B1 ARG 162 HD2 0.04 -0.04 0.01 -0.04 3.22 3.18 1ze2B1 ARG 162 HD3 0.05 0.10 0.09 -0.04 3.22 3.42 1ze2B1 VAL 163 H 0.11 -0.10 0.27 -0.55 8.24 7.96 1ze2B1 VAL 163 HA 0.07 0.21 0.83 -0.75 4.13 4.48 1ze2B1 VAL 163 HB 0.05 0.13 1.12 -0.04 2.12 3.38 1ze2B1 VAL 163 HG13 0.03 -0.01 -0.15 -0.04 0.97 0.79 1ze2B1 VAL 163 HG23 0.11 -0.04 -0.05 -0.04 0.95 0.93 1ze2B1 GLU 164 H 0.10 0.39 0.41 -0.55 8.60 8.96 1ze2B1 GLU 164 HA 0.16 0.32 1.06 -0.75 4.29 5.08 1ze2B1 GLU 164 HB2 0.13 -0.01 0.04 -0.04 2.09 2.20 1ze2B1 GLU 164 HB3 0.24 -0.17 0.11 -0.04 1.99 2.13 1ze2B1 GLU 164 HG2 0.70 -0.04 -0.09 -0.04 2.34 2.87 1ze2B1 GLU 164 HG3 0.18 0.19 0.08 -0.04 2.34 2.76 1ze2B1 VAL 165 H 0.25 0.73 0.38 -0.55 8.24 9.05 1ze2B1 VAL 165 HA -0.13 0.09 0.84 -0.75 4.13 4.17 1ze2B1 VAL 165 HB 0.09 -0.04 -0.40 -0.04 2.12 1.74 1ze2B1 VAL 165 HG13 0.22 0.01 -0.20 -0.04 0.97 0.96 1ze2B1 VAL 165 HG23 -0.04 0.06 0.08 -0.04 0.95 1.01 1ze2B1 SER 166 H -0.13 0.29 0.18 -0.55 8.46 8.25 1ze2B1 SER 166 HA 0.31 0.13 0.69 -0.75 4.49 4.87 1ze2B1 SER 166 HB2 0.11 0.09 0.15 -0.04 3.95 4.27 1ze2B1 SER 166 HB3 0.11 -0.07 0.08 -0.04 3.93 4.01 1ze2B1 PRO 167 HA 0.04 0.02 0.48 -0.51 4.44 4.46 1ze2B1 PRO 167 HB2 0.03 -0.09 0.08 -0.04 2.28 2.25 1ze2B1 PRO 167 HB3 0.04 0.43 0.26 -0.04 2.02 2.71 1ze2B1 PRO 167 HG2 0.04 -0.08 0.08 -0.04 2.03 2.03 1ze2B1 PRO 167 HG3 0.04 0.06 0.16 -0.04 2.03 2.24 1ze2B1 PRO 167 HD2 0.12 -0.03 0.27 -0.04 3.68 4.00 1ze2B1 PRO 167 HD3 0.09 0.36 0.23 -0.04 3.65 4.29 1ze2B1 GLY 168 H -0.02 0.15 0.15 -0.55 8.43 8.16 1ze2B1 GLY 168 HA2 -0.11 -0.06 0.32 -0.51 4.01 3.65 1ze2B1 GLY 168 HA3 0.00 0.05 0.35 -0.51 4.01 3.91 1ze2B1 THR 169 H -0.03 0.24 -0.61 -0.55 8.28 7.32 1ze2B1 THR 169 HA 0.04 0.10 0.66 -0.75 4.39 4.43 1ze2B1 THR 169 HB -0.02 0.03 0.11 -0.04 4.32 4.40 1ze2B1 THR 169 HG23 -0.02 -0.00 -0.24 -0.04 1.22 0.91 1ze2B1 TYR 170 H 0.37 0.23 0.06 -0.55 8.29 8.41 1ze2B1 TYR 170 HA -0.04 -0.01 0.45 -0.75 4.56 4.20 1ze2B1 TYR 170 HB2 -0.01 0.10 0.13 -0.04 3.06 3.24 1ze2B1 TYR 170 HB3 0.01 -0.07 0.04 -0.04 2.98 2.91 1ze2B1 TYR 170 HD2 0.01 0.05 0.07 -0.04 7.15 7.24 1ze2B1 TYR 170 HE2 0.03 -0.02 0.07 -0.04 6.85 6.89 1ze2B1 ILE 171 H -0.15 0.16 0.24 -0.55 8.25 7.95 1ze2B1 ILE 171 HA -0.04 0.09 0.26 -0.75 4.18 3.74 1ze2B1 ILE 171 HB -0.26 -0.06 0.59 -0.04 1.89 2.11 1ze2B1 ILE 171 HG12 -0.59 0.00 -0.19 -0.04 1.49 0.66 1ze2B1 ILE 171 HG13 -0.22 0.02 -0.10 -0.04 1.21 0.86 1ze2B1 ILE 171 HG23 -0.07 -0.00 -0.40 -0.04 0.93 0.41 1ze2B1 ILE 171 HD13 -0.72 0.03 0.03 -0.04 0.88 0.18 1ze2B1 ARG 172 H 0.08 -0.05 -0.38 -0.55 8.46 7.55 1ze2B1 ARG 172 HA 0.04 0.11 0.24 -0.75 4.34 3.98 1ze2B1 ARG 172 HB2 0.14 -0.04 0.02 -0.04 1.90 1.98 1ze2B1 ARG 172 HB3 0.08 0.01 0.04 -0.04 1.80 1.90 1ze2B1 ARG 172 HG2 0.06 0.03 0.00 -0.04 1.67 1.72 1ze2B1 ARG 172 HG3 0.12 -0.00 -0.04 -0.04 1.67 1.70 1ze2B1 ARG 172 HD2 0.16 -0.00 0.01 -0.04 3.22 3.34 1ze2B1 ARG 172 HD3 0.32 -0.01 -0.02 -0.04 3.22 3.46 1ze2B1 VAL 192 HA 0.03 0.27 0.31 -0.75 4.13 3.98 1ze2B1 VAL 192 HB 0.05 -0.03 0.11 -0.04 2.12 2.21 1ze2B1 VAL 192 HG13 0.05 -0.01 -0.25 -0.04 0.97 0.71 1ze2B1 VAL 192 HG23 0.07 -0.02 0.04 -0.04 0.95 1.00 1ze2B1 ARG 193 H -0.11 0.23 0.18 -0.55 8.46 8.22 1ze2B1 ARG 193 HA -0.70 0.21 0.56 -0.75 4.34 3.65 1ze2B1 ARG 193 HB2 -0.27 0.04 0.17 -0.04 1.90 1.80 1ze2B1 ARG 193 HB3 -0.17 -0.34 0.35 -0.04 1.80 1.60 1ze2B1 ARG 193 HG2 -0.14 0.19 0.09 -0.04 1.67 1.77 1ze2B1 ARG 193 HG3 -0.25 -0.10 -0.13 -0.04 1.67 1.16 1ze2B1 ARG 193 HD2 -0.14 -0.03 -0.07 -0.04 3.22 2.94 1ze2B1 ARG 193 HD3 -0.48 -0.02 0.01 -0.04 3.22 2.68 1ze2B1 GLU 194 H -0.19 0.64 0.52 -0.55 8.60 9.02 1ze2B1 GLU 194 HA -0.03 0.04 0.63 -0.75 4.29 4.18 1ze2B1 GLU 194 HB2 -0.04 -0.02 0.04 -0.04 2.09 2.03 1ze2B1 GLU 194 HB3 -0.01 -0.12 0.02 -0.04 1.99 1.84 1ze2B1 GLU 194 HG2 0.01 -0.07 -0.05 -0.04 2.34 2.19 1ze2B1 GLU 194 HG3 -0.00 0.28 0.05 -0.04 2.34 2.62 1ze2B1 SER 195 H -0.14 0.05 -0.01 -0.55 8.46 7.82 1ze2B1 SER 195 HA -0.02 0.53 0.55 -0.75 4.49 4.80 1ze2B1 SER 195 HB2 -0.01 0.23 -0.17 -0.04 3.95 3.96 1ze2B1 SER 195 HB3 -0.01 0.01 -0.26 -0.04 3.93 3.63 1ze2B1 VAL 196 H -0.00 0.31 -0.01 -0.55 8.24 7.99 1ze2B1 VAL 196 HA -0.03 0.15 0.65 -0.75 4.13 4.15 1ze2B1 VAL 196 HB -0.00 -0.08 0.16 -0.04 2.12 2.16 1ze2B1 VAL 196 HG13 0.02 0.00 -0.01 -0.04 0.97 0.95 1ze2B1 VAL 196 HG23 -0.06 -0.01 -0.08 -0.04 0.95 0.76 1ze2B1 GLY 197 H -0.06 0.56 -0.21 -0.55 8.43 8.18 1ze2B1 GLY 197 HA2 -0.19 -0.03 0.34 -0.51 4.01 3.61 1ze2B1 GLY 197 HA3 -0.23 0.10 0.86 -0.51 4.01 4.23 1ze2B1 PRO 198 HA -0.04 0.11 0.45 -0.51 4.44 4.45 1ze2B1 PRO 198 HB2 -0.01 0.03 0.01 -0.04 2.28 2.27 1ze2B1 PRO 198 HB3 0.03 0.01 0.10 -0.04 2.02 2.12 1ze2B1 PRO 198 HG2 -0.31 0.02 0.11 -0.04 2.03 1.81 1ze2B1 PRO 198 HG3 0.38 -0.04 0.13 -0.04 2.03 2.46 1ze2B1 PRO 198 HD2 -0.24 0.21 0.31 -0.04 3.68 3.92 1ze2B1 PRO 198 HD3 -0.32 0.08 0.22 -0.04 3.65 3.59 1ze2B1 HIS 199 H -0.17 0.13 -0.24 -0.55 8.41 7.59 1ze2B1 HIS 199 HA 0.04 -0.06 0.33 -0.75 4.63 4.19 1ze2B1 HIS 199 HB2 -0.02 0.01 0.02 -0.04 3.26 3.23 1ze2B1 HIS 199 HB3 -0.01 0.02 -0.06 -0.04 3.20 3.10 1ze2B1 HIS 199 HD2 -0.03 0.12 0.06 -0.04 6.97 7.07 1ze2B1 HIS 199 HE1 0.09 0.07 0.01 -0.04 7.75 7.87 1ze2B1 THR 200 H 0.09 0.01 0.22 -0.55 8.28 8.05 1ze2B1 THR 200 HA 0.03 0.22 0.43 -0.75 4.39 4.31 1ze2B1 THR 200 HB 0.03 -0.06 0.30 -0.04 4.32 4.55 1ze2B1 THR 200 HG23 0.03 0.04 0.15 -0.04 1.22 1.40 1ze2B1 ILE 201 H 0.03 -0.25 0.28 -0.55 8.25 7.76 1ze2B1 ILE 201 HA 0.04 0.24 0.76 -0.75 4.18 4.47 1ze2B1 ILE 201 HB 0.02 0.20 0.07 -0.04 1.89 2.14 1ze2B1 ILE 201 HG12 0.11 -0.08 -0.16 -0.04 1.49 1.32 1ze2B1 ILE 201 HG13 0.11 0.04 0.01 -0.04 1.21 1.32 1ze2B1 ILE 201 HG23 0.03 -0.02 -0.01 -0.04 0.93 0.89 1ze2B1 ILE 201 HD13 0.08 0.01 -0.17 -0.04 0.88 0.76 1ze2B1 GLU 202 H 0.03 -0.06 0.23 -0.55 8.60 8.25 1ze2B1 GLU 202 HA 0.01 0.23 0.69 -0.75 4.29 4.47 1ze2B1 GLU 202 HB2 0.02 -0.03 0.12 -0.04 2.09 2.15 1ze2B1 GLU 202 HB3 0.01 0.04 -0.03 -0.04 1.99 1.97 1ze2B1 GLU 202 HG2 -0.00 0.02 0.00 -0.04 2.34 2.32 1ze2B1 GLU 202 HG3 0.00 -0.00 0.01 -0.04 2.34 2.31 1ze2B1 GLU 203 H 0.03 -0.09 -0.05 -0.55 8.60 7.95 1ze2B1 GLU 203 HA 0.02 0.14 0.49 -0.75 4.29 4.18 1ze2B1 GLU 203 HB2 0.04 0.08 0.09 -0.04 2.09 2.26 1ze2B1 GLU 203 HB3 0.04 -0.09 0.09 -0.04 1.99 1.99 1ze2B1 GLU 203 HG2 0.06 -0.12 -0.26 -0.04 2.34 1.99 1ze2B1 GLU 203 HG3 0.05 0.12 -0.47 -0.04 2.34 2.00 1ze2B1 SER 204 H 0.03 -0.09 -0.97 -0.55 8.46 6.89 1ze2B1 SER 204 HA 0.01 0.06 -0.03 -0.75 4.49 3.77 1ze2B1 SER 204 HB2 0.07 -0.11 -0.38 -0.04 3.95 3.48 1ze2B1 SER 204 HB3 0.06 0.00 -0.24 -0.04 3.93 3.71 1ze2B1 LEU 205 H 0.06 0.07 -0.03 -0.55 8.37 7.92 1ze2B1 LEU 205 HA 0.01 0.06 0.47 -0.75 4.35 4.13 1ze2B1 LEU 205 HB2 -0.00 0.23 -0.06 -0.04 1.64 1.76 1ze2B1 LEU 205 HB3 -0.01 0.21 0.00 -0.04 1.64 1.80 1ze2B1 LEU 205 HG -0.01 -0.17 -0.46 -0.04 1.64 0.96 1ze2B1 LEU 205 HD13 -0.01 -0.06 -0.08 -0.04 0.93 0.74 1ze2B1 LEU 205 HD23 -0.02 0.01 -0.10 -0.04 0.89 0.73 1ze2B1 ASN 206 H 0.01 0.23 0.03 -0.55 8.53 8.26 1ze2B1 ASN 206 HA 0.15 0.17 0.88 -0.75 4.76 5.21 1ze2B1 ASN 206 HB2 -0.01 0.05 0.04 -0.04 2.88 2.91 1ze2B1 ASN 206 HB3 0.02 0.01 0.16 -0.04 2.79 2.94 1ze2B1 ASN 206 HD21 0.26 0.09 -0.15 -0.04 7.03 7.18 1ze2B1 ASN 206 HD22 0.15 -0.16 -0.37 -0.04 7.74 7.32 1ze2B1 VAL 207 H -0.00 0.36 0.11 -0.55 8.24 8.16 1ze2B1 VAL 207 HA -0.08 0.04 0.30 -0.75 4.13 3.64 1ze2B1 VAL 207 HB -0.29 0.05 -0.09 -0.04 2.12 1.75 1ze2B1 VAL 207 HG13 -0.09 0.03 -0.06 -0.04 0.97 0.81 1ze2B1 VAL 207 HG23 -0.42 0.03 0.04 -0.04 0.95 0.55 1ze2B1 PHE 208 H 0.10 0.10 -0.30 -0.55 8.34 7.68 1ze2B1 PHE 208 HA 0.00 0.14 0.45 -0.75 4.62 4.46 1ze2B1 PHE 208 HB2 0.03 -0.02 0.01 -0.04 3.15 3.13 1ze2B1 PHE 208 HB3 0.01 0.02 0.14 -0.04 3.06 3.19 1ze2B1 PHE 208 HD2 0.01 0.02 0.01 -0.04 7.28 7.29 1ze2B1 PHE 208 HE2 -0.02 0.02 -0.06 -0.04 7.38 7.28 1ze2B1 PHE 208 HZ -0.03 -0.06 -0.54 -0.04 7.32 6.65 1ze2B1 GLU 209 H 0.03 0.03 -0.75 -0.55 8.60 7.36 1ze2B1 GLU 209 HA 0.05 0.13 0.72 -0.75 4.29 4.44 1ze2B1 GLU 209 HB2 0.04 0.07 -0.03 -0.04 2.09 2.13 1ze2B1 GLU 209 HB3 0.02 -0.05 0.05 -0.04 1.99 1.97 1ze2B1 GLU 209 HG2 0.05 0.05 0.02 -0.04 2.34 2.41 1ze2B1 GLU 209 HG3 0.09 -0.06 -0.51 -0.04 2.34 1.82 1ze2B1 ALA 210 H -0.01 0.03 0.07 -0.55 8.40 7.94 1ze2B1 ALA 210 HA -0.01 0.10 0.68 -0.75 4.34 4.35 1ze2B1 ALA 210 HB3 -0.02 -0.01 -0.04 -0.04 1.41 1.29 1ze2B1 ALA 211 H -0.02 0.03 0.18 -0.55 8.40 8.04 1ze2B1 ALA 211 HA -0.02 0.33 0.84 -0.75 4.34 4.74 1ze2B1 ALA 211 HB3 -0.01 -0.00 0.10 -0.04 1.41 1.45 1ze2B1 PRO 212 HA -0.03 0.08 0.29 -0.51 4.44 4.27 1ze2B1 PRO 212 HB2 -0.02 -0.05 0.06 -0.04 2.28 2.23 1ze2B1 PRO 212 HB3 -0.02 0.20 -0.01 -0.04 2.02 2.15 1ze2B1 PRO 212 HG2 -0.02 0.07 0.10 -0.04 2.03 2.15 1ze2B1 PRO 212 HG3 -0.02 0.08 0.12 -0.04 2.03 2.16 1ze2B1 PRO 212 HD2 -0.01 0.06 0.21 -0.04 3.68 3.89 1ze2B1 PRO 212 HD3 -0.02 0.21 0.24 -0.04 3.65 4.04 1ze2B1 GLU 213 H -0.02 0.08 -0.23 -0.55 8.60 7.89 1ze2B1 GLU 213 HA -0.02 0.17 0.54 -0.75 4.29 4.22 1ze2B1 GLU 213 HB2 -0.01 -0.04 0.03 -0.04 2.09 2.03 1ze2B1 GLU 213 HB3 -0.01 0.06 0.01 -0.04 1.99 2.01 1ze2B1 GLU 213 HG2 -0.01 0.05 0.00 -0.04 2.34 2.33 1ze2B1 GLU 213 HG3 -0.01 0.03 -0.04 -0.04 2.34 2.28 1ze2B1 GLU 214 H -0.02 0.00 -0.11 -0.55 8.60 7.93 1ze2B1 GLU 214 HA -0.01 0.07 0.35 -0.75 4.29 3.94 1ze2B1 GLU 214 HB2 -0.01 -0.02 0.16 -0.04 2.09 2.17 1ze2B1 GLU 214 HB3 -0.02 -0.10 0.17 -0.04 1.99 2.00 1ze2B1 GLU 214 HG2 -0.01 0.07 -0.11 -0.04 2.34 2.24 1ze2B1 GLU 214 HG3 -0.01 0.03 0.07 -0.04 2.34 2.39 1ze2B1 ILE 215 H -0.03 0.48 -0.38 -0.55 8.25 7.77 1ze2B1 ILE 215 HA -0.03 0.07 0.40 -0.75 4.18 3.87 1ze2B1 ILE 215 HB -0.04 0.09 -0.04 -0.04 1.89 1.87 1ze2B1 ILE 215 HG12 -0.05 -0.06 -0.14 -0.04 1.49 1.21 1ze2B1 ILE 215 HG13 -0.04 0.10 -0.19 -0.04 1.21 1.04 1ze2B1 ILE 215 HG23 -0.04 0.00 -0.22 -0.04 0.93 0.63 1ze2B1 ILE 215 HD13 -0.07 0.01 -0.17 -0.04 0.88 0.61 1ze2B1 GLU 216 H -0.03 0.31 -0.16 -0.55 8.60 8.18 1ze2B1 GLU 216 HA -0.03 0.01 0.27 -0.75 4.29 3.78 1ze2B1 GLU 216 HB2 -0.02 0.06 0.15 -0.04 2.09 2.23 1ze2B1 GLU 216 HB3 -0.03 -0.04 0.01 -0.04 1.99 1.90 1ze2B1 GLU 216 HG2 -0.04 -0.07 0.04 -0.04 2.34 2.23 1ze2B1 GLU 216 HG3 -0.03 0.39 0.17 -0.04 2.34 2.83 1ze2B1 ASN 217 H -0.02 0.29 -0.48 -0.55 8.53 7.77 1ze2B1 ASN 217 HA -0.01 0.01 0.39 -0.75 4.76 4.40 1ze2B1 ASN 217 HB2 -0.01 0.13 0.11 -0.04 2.88 3.07 1ze2B1 ASN 217 HB3 -0.01 -0.05 0.00 -0.04 2.79 2.70 1ze2B1 ASN 217 HD21 -0.01 -0.08 -0.05 -0.04 7.03 6.85 1ze2B1 ASN 217 HD22 -0.01 0.01 -0.00 -0.04 7.74 7.70 1ze2B1 ARG 218 H -0.01 0.25 -0.14 -0.55 8.46 8.00 1ze2B1 ARG 218 HA -0.01 0.05 0.37 -0.75 4.34 4.00 1ze2B1 ARG 218 HB2 -0.02 0.03 0.14 -0.04 1.90 2.01 1ze2B1 ARG 218 HB3 -0.02 -0.02 0.12 -0.04 1.80 1.85 1ze2B1 ARG 218 HG2 -0.01 0.05 0.04 -0.04 1.67 1.72 1ze2B1 ARG 218 HG3 -0.00 0.02 0.08 -0.04 1.67 1.73 1ze2B1 ARG 218 HD2 -0.00 -0.02 -0.12 -0.04 3.22 3.03 1ze2B1 ARG 218 HD3 -0.01 -0.00 0.03 -0.04 3.22 3.20 1ze2B1 ILE 219 H -0.01 0.36 -0.85 -0.55 8.25 7.19 1ze2B1 ILE 219 HA -0.02 0.17 0.84 -0.75 4.18 4.42 1ze2B1 ILE 219 HB -0.02 -0.04 -0.13 -0.04 1.89 1.66 1ze2B1 ILE 219 HG12 -0.00 0.04 -0.46 -0.04 1.49 1.03 1ze2B1 ILE 219 HG13 -0.01 -0.00 -0.35 -0.04 1.21 0.81 1ze2B1 ILE 219 HG23 -0.02 0.08 -0.04 -0.04 0.93 0.91 1ze2B1 ILE 219 HD13 -0.01 -0.07 -0.63 -0.04 0.88 0.13 1ze2B1 ILE 220 H -0.01 0.80 0.36 -0.55 8.25 8.85 1ze2B1 ILE 220 HA 0.01 0.13 0.68 -0.75 4.18 4.25 1ze2B1 ILE 220 HB 0.04 -0.15 0.17 -0.04 1.89 1.91 1ze2B1 ILE 220 HG12 0.05 0.03 -0.05 -0.04 1.49 1.48 1ze2B1 ILE 220 HG13 -0.00 0.12 0.02 -0.04 1.21 1.31 1ze2B1 ILE 220 HG23 0.05 0.01 -0.23 -0.04 0.93 0.72 1ze2B1 ILE 220 HD13 0.10 -0.03 -0.03 -0.04 0.88 0.88 1ze2B1 PRO 221 HA -0.01 0.24 0.46 -0.51 4.44 4.61 1ze2B1 PRO 221 HB2 -0.03 -0.17 0.12 -0.04 2.28 2.16 1ze2B1 PRO 221 HB3 -0.01 0.12 0.17 -0.04 2.02 2.26 1ze2B1 PRO 221 HG2 -0.01 -0.16 0.04 -0.04 2.03 1.85 1ze2B1 PRO 221 HG3 -0.00 0.09 0.08 -0.04 2.03 2.16 1ze2B1 PRO 221 HD2 0.01 0.08 0.27 -0.04 3.68 4.00 1ze2B1 PRO 221 HD3 -0.00 0.32 0.27 -0.04 3.65 4.19 1ze2B1 LEU 222 H -0.07 0.18 0.19 -0.55 8.37 8.12 1ze2B1 LEU 222 HA -0.18 0.10 0.41 -0.75 4.35 3.93 1ze2B1 LEU 222 HB2 -0.18 -0.02 0.04 -0.04 1.64 1.44 1ze2B1 LEU 222 HB3 -0.24 -0.03 0.05 -0.04 1.64 1.38 1ze2B1 LEU 222 HG -0.69 0.05 -0.01 -0.04 1.64 0.95 1ze2B1 LEU 222 HD13 -0.55 -0.01 -0.10 -0.04 0.93 0.22 1ze2B1 LEU 222 HD23 -0.83 -0.01 -0.07 -0.04 0.89 -0.06 1ze2B1 GLU 223 H -0.10 0.00 -0.34 -0.55 8.60 7.61 1ze2B1 GLU 223 HA -0.21 0.18 0.67 -0.75 4.29 4.18 1ze2B1 GLU 223 HB2 -0.03 -0.05 0.05 -0.04 2.09 2.02 1ze2B1 GLU 223 HB3 0.09 0.14 0.09 -0.04 1.99 2.27 1ze2B1 GLU 223 HG2 -0.26 0.06 0.16 -0.04 2.34 2.25 1ze2B1 GLU 223 HG3 -0.21 -0.10 0.00 -0.04 2.34 1.99 1ze2B1 LYS 224 H -0.04 0.26 -0.34 -0.55 8.42 7.75 1ze2B1 LYS 224 HA 0.01 0.22 0.77 -0.75 4.32 4.57 1ze2B1 LYS 224 HB2 0.00 -0.00 0.03 -0.04 1.87 1.86 1ze2B1 LYS 224 HB3 0.02 -0.02 0.10 -0.04 1.79 1.85 1ze2B1 LYS 224 HG2 0.02 -0.04 -0.16 -0.04 1.46 1.24 1ze2B1 LYS 224 HG3 0.01 -0.00 0.01 -0.04 1.46 1.44 1ze2B1 LYS 224 HD2 0.02 -0.02 0.04 -0.04 1.69 1.69 1ze2B1 LYS 224 HD3 0.01 0.07 0.02 -0.04 1.68 1.75 1ze2B1 LYS 224 HE2 0.01 -0.01 -0.01 -0.04 2.99 2.94 1ze2B1 LYS 224 HE3 0.01 -0.01 0.01 -0.04 2.99 2.96 1ze2B1 CYS 225 H -0.09 0.13 -0.36 -0.55 8.50 7.64 1ze2B1 CYS 225 HA 0.01 0.06 0.67 -0.75 4.58 4.56 1ze2B1 CYS 225 HB2 -0.13 0.08 0.01 -0.04 2.97 2.89 1ze2B1 CYS 225 HB3 -0.02 -0.05 0.00 -0.04 2.97 2.85 1ze2B1 LEU 226 H -0.21 0.01 0.09 -0.55 8.37 7.72 1ze2B1 LEU 226 HA -2.09 -0.13 0.39 -0.75 4.35 1.76 1ze2B1 LEU 226 HB2 -0.52 0.27 0.12 -0.04 1.64 1.47 1ze2B1 LEU 226 HB3 -1.09 0.04 -0.01 -0.04 1.64 0.54 1ze2B1 LEU 226 HG -0.36 -0.13 -0.34 -0.04 1.64 0.77 1ze2B1 LEU 226 HD13 -0.48 -0.00 -0.11 -0.04 0.93 0.30 1ze2B1 LEU 226 HD23 -0.38 -0.01 -0.02 -0.04 0.89 0.44 1ze2B1 GLU 227 H -0.58 -0.06 0.11 -0.55 8.60 7.52 1ze2B1 GLU 227 HA -0.10 0.12 0.40 -0.75 4.29 3.96 1ze2B1 GLU 227 HB2 0.42 -0.14 0.16 -0.04 2.09 2.49 1ze2B1 GLU 227 HB3 0.12 -0.00 0.00 -0.04 1.99 2.07 1ze2B1 GLU 227 HG2 0.04 0.04 0.01 -0.04 2.34 2.39 1ze2B1 GLU 227 HG3 0.03 0.00 0.02 -0.04 2.34 2.35 1ze2B1 TRP 228 H 0.69 -0.13 0.00 -0.55 7.97 7.99 1ze2B1 TRP 228 HA 0.01 0.03 0.34 -0.75 4.62 4.24 1ze2B1 TRP 228 HB2 0.03 -0.07 0.13 -0.04 3.23 3.28 1ze2B1 TRP 228 HB3 0.02 -0.03 0.11 -0.04 3.23 3.29 1ze2B1 TRP 228 HD1 0.07 -0.02 -0.07 -0.04 7.22 7.15 1ze2B1 TRP 228 HE1 0.09 0.11 0.04 -0.04 10.20 10.40 1ze2B1 TRP 228 HE3 0.00 -0.00 0.17 -0.04 7.59 7.71 1ze2B1 TRP 228 HZ2 0.12 0.16 0.09 -0.04 7.44 7.77 1ze2B1 TRP 228 HZ3 -0.07 0.01 0.16 -0.04 7.13 7.18 1ze2B1 TRP 228 HH2 0.40 0.04 0.13 -0.04 7.19 7.72 1ze2B1 LEU 229 H 0.24 -0.03 0.08 -0.55 8.37 8.11 1ze2B1 LEU 229 HA 0.10 0.01 0.49 -0.75 4.35 4.20 1ze2B1 LEU 229 HB2 -0.26 0.40 0.23 -0.04 1.64 1.97 1ze2B1 LEU 229 HB3 -0.04 0.01 -0.05 -0.04 1.64 1.51 1ze2B1 LEU 229 HG 0.03 -0.16 -0.38 -0.04 1.64 1.08 1ze2B1 LEU 229 HD13 -0.15 -0.00 -0.12 -0.04 0.93 0.62 1ze2B1 LEU 229 HD23 0.27 -0.03 0.05 -0.04 0.89 1.13 1ze2B1 PRO 230 HA -0.02 0.08 0.35 -0.51 4.44 4.34 1ze2B1 PRO 230 HB2 0.01 -0.14 -0.06 -0.04 2.28 2.05 1ze2B1 PRO 230 HB3 -0.08 0.07 0.00 -0.04 2.02 1.97 1ze2B1 PRO 230 HG2 0.07 -0.04 -0.02 -0.04 2.03 2.01 1ze2B1 PRO 230 HG3 0.03 0.14 0.09 -0.04 2.03 2.25 1ze2B1 PRO 230 HD2 0.09 0.33 0.23 -0.04 3.68 4.29 1ze2B1 PRO 230 HD3 0.09 -0.03 0.24 -0.04 3.65 3.91 1ze2B1 ARG 231 H -0.07 0.08 0.01 -0.55 8.46 7.93 1ze2B1 ARG 231 HA 0.05 0.23 0.95 -0.75 4.34 4.81 1ze2B1 ARG 231 HB2 -0.43 -0.02 0.13 -0.04 1.90 1.54 1ze2B1 ARG 231 HB3 -0.10 0.23 -0.02 -0.04 1.80 1.87 1ze2B1 ARG 231 HG2 -0.10 -0.04 0.04 -0.04 1.67 1.53 1ze2B1 ARG 231 HG3 -0.17 -0.12 0.09 -0.04 1.67 1.43 1ze2B1 ARG 231 HD2 -0.14 0.15 0.00 -0.04 3.22 3.19 1ze2B1 ARG 231 HD3 -0.14 -0.09 0.01 -0.04 3.22 2.97 1ze2B1 VAL 232 H -0.01 0.04 -0.12 -0.55 8.24 7.60 1ze2B1 VAL 232 HA -0.10 0.01 0.28 -0.75 4.13 3.56 1ze2B1 VAL 232 HB -0.15 0.01 0.02 -0.04 2.12 1.97 1ze2B1 VAL 232 HG13 -0.35 0.03 -0.03 -0.04 0.97 0.57 1ze2B1 VAL 232 HG23 0.08 -0.03 -0.18 -0.04 0.95 0.77 1ze2B1 VAL 233 H -0.03 0.04 0.22 -0.55 8.24 7.92 1ze2B1 VAL 233 HA 0.06 0.22 0.98 -0.75 4.13 4.64 1ze2B1 VAL 233 HB -0.03 0.10 -0.17 -0.04 2.12 1.98 1ze2B1 VAL 233 HG13 -0.00 -0.03 0.06 -0.04 0.97 0.96 1ze2B1 VAL 233 HG23 0.06 0.05 -0.58 -0.04 0.95 0.44 1ze2B1 VAL 234 H 0.00 0.44 0.08 -0.55 8.24 8.21 1ze2B1 VAL 234 HA -0.21 0.08 0.32 -0.75 4.13 3.57 1ze2B1 VAL 234 HB -0.15 -0.13 0.07 -0.04 2.12 1.88 1ze2B1 VAL 234 HG13 -0.08 -0.00 -0.14 -0.04 0.97 0.70 1ze2B1 VAL 234 HG23 -0.01 0.11 -0.13 -0.04 0.95 0.88 1ze2B1 HIS 235 H -0.31 0.21 0.20 -0.55 8.41 7.96 1ze2B1 HIS 235 HA 0.04 0.17 0.65 -0.75 4.63 4.74 1ze2B1 HIS 235 HB2 0.03 -0.14 0.16 -0.04 3.26 3.27 1ze2B1 HIS 235 HB3 0.03 -0.00 0.16 -0.04 3.20 3.35 1ze2B1 HIS 235 HD2 0.04 -0.02 0.05 -0.04 6.97 7.00 1ze2B1 HIS 235 HE1 0.12 0.03 -0.02 -0.04 7.75 7.84 1ze2B1 GLN 236 H 0.11 0.26 0.20 -0.55 8.47 8.49 1ze2B1 GLN 236 HA 0.06 -0.02 0.40 -0.75 4.36 4.04 1ze2B1 GLN 236 HB2 0.06 0.05 0.19 -0.04 2.15 2.40 1ze2B1 GLN 236 HB3 0.04 0.10 0.02 -0.04 2.02 2.14 1ze2B1 GLN 236 HG2 0.05 -0.19 0.12 -0.04 2.40 2.33 1ze2B1 GLN 236 HG3 0.03 0.11 0.05 -0.04 2.39 2.54 1ze2B1 GLN 236 HE21 0.02 0.05 0.09 -0.04 6.97 7.09 1ze2B1 GLN 236 HE22 0.03 0.04 0.09 -0.04 7.69 7.81 1ze2B1 GLU 237 H 0.11 -0.03 -0.84 -0.55 8.60 7.30 1ze2B1 GLU 237 HA 0.04 0.17 0.59 -0.75 4.29 4.34 1ze2B1 GLU 237 HB2 0.10 0.00 0.06 -0.04 2.09 2.20 1ze2B1 GLU 237 HB3 0.05 0.06 0.02 -0.04 1.99 2.08 1ze2B1 GLU 237 HG2 0.04 0.05 -0.02 -0.04 2.34 2.37 1ze2B1 GLU 237 HG3 0.07 -0.13 -0.03 -0.04 2.34 2.21 1ze2B1 SER 238 H 0.06 0.30 0.04 -0.55 8.46 8.31 1ze2B1 SER 238 HA 0.02 0.14 0.54 -0.75 4.49 4.44 1ze2B1 SER 238 HB2 -0.00 0.07 0.12 -0.04 3.95 4.09 1ze2B1 SER 238 HB3 -0.00 -0.01 0.21 -0.04 3.93 4.08 1ze2B1 THR 239 H 0.03 0.23 -0.79 -0.55 8.28 7.20 1ze2B1 THR 239 HA 0.01 0.09 0.37 -0.75 4.39 4.10 1ze2B1 THR 239 HB 0.02 0.11 -0.03 -0.04 4.32 4.38 1ze2B1 THR 239 HG23 0.01 0.01 0.03 -0.04 1.22 1.23 1ze2B1 LYS 240 H 0.01 0.19 -0.39 -0.55 8.42 7.68 1ze2B1 LYS 240 HA -0.00 0.24 0.67 -0.75 4.32 4.48 1ze2B1 LYS 240 HB2 0.01 -0.02 0.02 -0.04 1.87 1.84 1ze2B1 LYS 240 HB3 0.01 0.01 -0.02 -0.04 1.79 1.74 1ze2B1 LYS 240 HG2 0.00 0.03 0.01 -0.04 1.46 1.46 1ze2B1 LYS 240 HG3 0.00 -0.03 0.01 -0.04 1.46 1.40 1ze2B1 LYS 240 HD2 0.00 -0.03 0.04 -0.04 1.69 1.66 1ze2B1 LYS 240 HD3 -0.00 0.08 0.10 -0.04 1.68 1.81 1ze2B1 LYS 240 HE2 -0.00 0.02 0.02 -0.04 2.99 2.98 1ze2B1 LYS 240 HE3 0.00 -0.04 0.01 -0.04 2.99 2.92 1ze2B1 MET 241 H 0.00 0.26 -0.45 -0.55 8.47 7.73 1ze2B1 MET 241 HA -0.00 0.22 0.74 -0.75 4.52 4.72 1ze2B1 MET 241 HB2 0.01 -0.06 -0.03 -0.04 2.15 2.03 1ze2B1 MET 241 HB3 -0.00 0.02 0.17 -0.04 2.03 2.18 1ze2B1 MET 241 HG2 -0.00 0.06 -0.15 -0.04 2.63 2.50 1ze2B1 MET 241 HG3 -0.00 0.02 -0.09 -0.04 2.56 2.44 1ze2B1 MET 241 HE3 0.02 -0.00 0.01 -0.04 2.10 2.08 1ze2B1 ILE 242 H -0.01 0.24 0.08 -0.55 8.25 8.01 1ze2B1 ILE 242 HA -0.03 0.32 0.31 -0.75 4.18 4.02 1ze2B1 ILE 242 HB -0.02 -0.02 -0.02 -0.04 1.89 1.78 1ze2B1 ILE 242 HG12 -0.03 0.13 -0.10 -0.04 1.49 1.44 1ze2B1 ILE 242 HG13 -0.02 -0.04 0.11 -0.04 1.21 1.22 1ze2B1 ILE 242 HG23 -0.05 0.01 -0.13 -0.04 0.93 0.72 1ze2B1 ILE 242 HD13 -0.03 -0.03 -0.06 -0.04 0.88 0.72 1ze2B1 LEU 243 H -0.02 0.06 -0.56 -0.55 8.37 7.30 1ze2B1 LEU 243 HA -0.04 0.14 0.50 -0.75 4.35 4.19 1ze2B1 LEU 243 HB2 -0.01 0.11 0.06 -0.04 1.64 1.75 1ze2B1 LEU 243 HB3 -0.02 -0.02 0.19 -0.04 1.64 1.75 1ze2B1 LEU 243 HG -0.02 0.06 0.04 -0.04 1.64 1.68 1ze2B1 LEU 243 HD13 -0.02 0.03 -0.07 -0.04 0.93 0.83 1ze2B1 LEU 243 HD23 -0.01 0.01 0.10 -0.04 0.89 0.94 1ze2B1 ASN 244 H -0.03 0.02 -0.56 -0.55 8.53 7.42 1ze2B1 ASN 244 HA -0.02 0.01 0.39 -0.75 4.76 4.37 1ze2B1 ASN 244 HB2 -0.01 0.12 -0.18 -0.04 2.88 2.76 1ze2B1 ASN 244 HB3 -0.01 0.14 -0.23 -0.04 2.79 2.64 1ze2B1 ASN 244 HD21 -0.01 -0.10 -0.00 -0.04 7.03 6.88 1ze2B1 ASN 244 HD22 -0.01 0.08 -0.03 -0.04 7.74 7.74 1ze2B1 GLY 245 H -0.03 0.14 0.07 -0.55 8.43 8.06 1ze2B1 GLY 245 HA2 -0.04 0.06 0.30 -0.51 4.01 3.82 1ze2B1 GLY 245 HA3 -0.02 0.05 0.84 -0.51 4.01 4.37 1ze2B1 SER 246 H -0.02 0.04 0.10 -0.55 8.46 8.04 1ze2B1 SER 246 HA -0.01 -0.04 0.30 -0.75 4.49 3.98 1ze2B1 SER 246 HB2 -0.01 0.25 -0.24 -0.04 3.95 3.90 1ze2B1 SER 246 HB3 -0.00 -0.19 0.14 -0.04 3.93 3.84 1ze2B1 GLN 247 H -0.01 0.08 0.14 -0.55 8.47 8.13 1ze2B1 GLN 247 HA -0.06 0.31 0.63 -0.75 4.36 4.48 1ze2B1 GLN 247 HB2 -0.05 -0.09 -0.08 -0.04 2.15 1.89 1ze2B1 GLN 247 HB3 -0.13 -0.11 0.14 -0.04 2.02 1.88 1ze2B1 GLN 247 HG2 -0.04 -0.01 -0.58 -0.04 2.40 1.73 1ze2B1 GLN 247 HG3 -0.05 -0.06 -0.09 -0.04 2.39 2.14 1ze2B1 GLN 247 HE21 -0.05 0.11 0.05 -0.04 6.97 7.03 1ze2B1 GLN 247 HE22 -0.04 0.05 -0.00 -0.04 7.69 7.66 1ze2B1 ILE 248 H -0.14 0.25 0.10 -0.55 8.25 7.91 1ze2B1 ILE 248 HA -0.05 0.14 0.96 -0.75 4.18 4.48 1ze2B1 ILE 248 HB -0.13 -0.00 -0.00 -0.04 1.89 1.72 1ze2B1 ILE 248 HG12 -0.05 0.03 -0.09 -0.04 1.49 1.34 1ze2B1 ILE 248 HG13 -0.06 0.06 -0.33 -0.04 1.21 0.84 1ze2B1 ILE 248 HG23 -0.07 -0.00 -0.13 -0.04 0.93 0.69 1ze2B1 ILE 248 HD13 -0.08 0.00 -0.04 -0.04 0.88 0.73 1ze2B1 HIS 249 H 0.03 0.17 0.08 -0.55 8.41 8.15 1ze2B1 HIS 249 HA -0.07 0.28 0.94 -0.75 4.63 5.02 1ze2B1 HIS 249 HB2 -0.03 0.05 -0.05 -0.04 3.26 3.20 1ze2B1 HIS 249 HB3 -0.02 -0.12 0.04 -0.04 3.20 3.05 1ze2B1 HIS 249 HD2 -0.03 0.01 -0.11 -0.04 6.97 6.80 1ze2B1 HIS 249 HE1 -0.03 0.02 0.02 -0.04 7.75 7.71 1ze2B1 LEU 250 H 0.23 0.20 0.13 -0.55 8.37 8.39 1ze2B1 LEU 250 HA -0.01 0.09 0.39 -0.75 4.35 4.07 1ze2B1 LEU 250 HB2 0.11 0.01 0.13 -0.04 1.64 1.84 1ze2B1 LEU 250 HB3 0.09 0.01 0.08 -0.04 1.64 1.77 1ze2B1 LEU 250 HG 0.17 0.05 -0.13 -0.04 1.64 1.69 1ze2B1 LEU 250 HD13 0.30 0.00 0.05 -0.04 0.93 1.25 1ze2B1 LEU 250 HD23 0.15 0.00 -0.01 -0.04 0.89 0.99 1ze2B1 GLU 251 H 0.06 0.04 -0.32 -0.55 8.60 7.84 1ze2B1 GLU 251 HA 0.11 0.20 0.56 -0.75 4.29 4.41 1ze2B1 GLU 251 HB2 0.04 -0.01 0.04 -0.04 2.09 2.12 1ze2B1 GLU 251 HB3 0.07 0.05 0.16 -0.04 1.99 2.22 1ze2B1 GLU 251 HG2 0.04 0.05 -0.05 -0.04 2.34 2.35 1ze2B1 GLU 251 HG3 0.00 -0.12 0.00 -0.04 2.34 2.19 1ze2B1 MET 252 H -0.02 0.11 -0.71 -0.55 8.47 7.31 1ze2B1 MET 252 HA -0.13 0.09 0.83 -0.75 4.52 4.56 1ze2B1 MET 252 HB2 -0.07 0.15 0.14 -0.04 2.15 2.34 1ze2B1 MET 252 HB3 -0.10 -0.07 0.06 -0.04 2.03 1.87 1ze2B1 MET 252 HG2 0.00 -0.01 0.02 -0.04 2.63 2.60 1ze2B1 MET 252 HG3 0.02 -0.00 -0.54 -0.04 2.56 2.00 1ze2B1 MET 252 HE3 -0.02 0.01 0.13 -0.04 2.10 2.18 1ze2B1 LEU 253 H -0.15 0.20 0.09 -0.55 8.37 7.97 1ze2B1 LEU 253 HA -0.21 -0.04 0.20 -0.75 4.35 3.54 1ze2B1 LEU 253 HB2 -0.50 0.03 0.02 -0.04 1.64 1.15 1ze2B1 LEU 253 HB3 -0.73 0.10 -0.08 -0.04 1.64 0.89 1ze2B1 LEU 253 HG -0.17 0.09 -0.07 -0.04 1.64 1.45 1ze2B1 LEU 253 HD13 -0.29 -0.01 -0.14 -0.04 0.93 0.45 1ze2B1 LEU 253 HD23 -0.12 0.01 -0.13 -0.04 0.89 0.61 1ze2B1 LYS 254 H -0.05 0.22 0.22 -0.55 8.42 8.26 1ze2B1 LYS 254 HA 0.40 0.14 0.87 -0.75 4.32 4.98 1ze2B1 LYS 254 HB2 0.23 -0.08 -0.10 -0.04 1.87 1.87 1ze2B1 LYS 254 HB3 0.12 0.29 0.16 -0.04 1.79 2.32 1ze2B1 LYS 254 HG2 0.18 -0.03 -0.08 -0.04 1.46 1.49 1ze2B1 LYS 254 HG3 0.29 -0.04 0.06 -0.04 1.46 1.73 1ze2B1 LYS 254 HD2 0.26 -0.10 -0.04 -0.04 1.69 1.77 1ze2B1 LYS 254 HD3 0.13 0.06 -0.05 -0.04 1.68 1.77 1ze2B1 LYS 254 HE2 0.08 0.00 -0.01 -0.04 2.99 3.02 1ze2B1 LYS 254 HE3 0.08 -0.03 0.01 -0.04 2.99 3.01 1ze2B1 GLU 255 H 0.08 0.12 0.31 -0.55 8.60 8.56 1ze2B1 GLU 255 HA 0.34 0.19 0.92 -0.75 4.29 4.98 1ze2B1 GLU 255 HB2 0.07 0.09 0.05 -0.04 2.09 2.25 1ze2B1 GLU 255 HB3 0.02 -0.16 0.19 -0.04 1.99 2.00 1ze2B1 GLU 255 HG2 0.02 -0.04 -0.30 -0.04 2.34 1.98 1ze2B1 GLU 255 HG3 0.07 -0.08 0.08 -0.04 2.34 2.37 1ze2B1 TRP 256 H 0.40 0.11 0.13 -0.55 7.97 8.07 1ze2B1 TRP 256 HA -0.27 0.22 0.88 -0.75 4.62 4.70 1ze2B1 TRP 256 HB2 -0.09 0.03 0.17 -0.04 3.23 3.30 1ze2B1 TRP 256 HB3 -0.18 -0.18 0.04 -0.04 3.23 2.88 1ze2B1 TRP 256 HD1 -0.03 0.04 0.00 -0.04 7.22 7.19 1ze2B1 TRP 256 HE1 0.07 -0.03 -0.03 -0.04 10.20 10.18 1ze2B1 TRP 256 HE3 -0.03 -0.29 -0.69 -0.04 7.59 6.53 1ze2B1 TRP 256 HZ2 0.06 -0.03 -0.05 -0.04 7.44 7.38 1ze2B1 TRP 256 HZ3 0.03 0.14 -0.57 -0.04 7.13 6.69 1ze2B1 TRP 256 HH2 0.06 0.12 -0.11 -0.04 7.19 7.20 1ze2B1 ASP 257 H 0.10 0.10 0.13 -0.55 8.40 8.18 1ze2B1 ASP 257 HA -0.01 0.04 0.32 -0.75 4.63 4.23 1ze2B1 ASP 257 HB2 -0.08 -0.04 -0.44 -0.04 2.71 2.12 1ze2B1 ASP 257 HB3 -0.13 0.14 0.08 -0.04 2.70 2.74 1ze2B1 GLY 258 H 0.01 -0.23 -0.84 -0.55 8.43 6.82 1ze2B1 GLY 258 HA2 0.03 -0.07 0.29 -0.51 4.01 3.75 1ze2B1 GLY 258 HA3 0.02 0.06 0.28 -0.51 4.01 3.87 1ze2B1 PHE 259 H -0.05 0.10 0.01 -0.55 8.34 7.85 1ze2B1 PHE 259 HA 0.01 0.13 0.34 -0.75 4.62 4.35 1ze2B1 PHE 259 HB2 0.01 0.06 0.06 -0.04 3.15 3.24 1ze2B1 PHE 259 HB3 -0.01 -0.18 0.11 -0.04 3.06 2.95 1ze2B1 PHE 259 HD2 -0.05 0.11 -0.07 -0.04 7.28 7.23 1ze2B1 PHE 259 HE2 -0.28 -0.02 -0.08 -0.04 7.38 6.95 1ze2B1 PHE 259 HZ -0.32 -0.02 -0.07 -0.04 7.32 6.87 1ze2B1 LYS 260 H 0.23 0.11 -0.05 -0.55 8.42 8.16 1ze2B1 LYS 260 HA 0.10 0.10 0.49 -0.75 4.32 4.26 1ze2B1 LYS 260 HB2 0.10 0.15 -0.23 -0.04 1.87 1.85 1ze2B1 LYS 260 HB3 0.08 -0.33 0.14 -0.04 1.79 1.63 1ze2B1 LYS 260 HG2 0.06 0.08 0.08 -0.04 1.46 1.64 1ze2B1 LYS 260 HG3 0.06 -0.00 0.00 -0.04 1.46 1.48 1ze2B1 LYS 260 HD2 0.05 -0.09 -0.10 -0.04 1.69 1.50 1ze2B1 LYS 260 HD3 0.06 0.03 -0.19 -0.04 1.68 1.54 1ze2B1 LYS 260 HE2 0.04 0.03 -0.01 -0.04 2.99 3.01 1ze2B1 LYS 260 HE3 0.04 0.01 -0.02 -0.04 2.99 2.97 1ze2B1 LYS 261 H 0.06 0.01 0.04 -0.55 8.42 7.98 1ze2B1 LYS 261 HA -0.01 0.28 0.51 -0.75 4.32 4.35 1ze2B1 LYS 261 HB2 0.03 0.19 -0.10 -0.04 1.87 1.94 1ze2B1 LYS 261 HB3 0.02 -0.17 0.09 -0.04 1.79 1.70 1ze2B1 LYS 261 HG2 0.01 -0.03 0.03 -0.04 1.46 1.43 1ze2B1 LYS 261 HG3 -0.00 -0.00 0.01 -0.04 1.46 1.42 1ze2B1 LYS 261 HD2 -0.03 0.14 -0.05 -0.04 1.69 1.72 1ze2B1 LYS 261 HD3 -0.00 -0.01 0.00 -0.04 1.68 1.63 1ze2B1 LYS 261 HE2 -0.01 -0.07 -0.00 -0.04 2.99 2.87 1ze2B1 LYS 261 HE3 -0.02 -0.02 -0.03 -0.04 2.99 2.88 1ze2B1 GLY 262 H 0.02 0.15 0.12 -0.55 8.43 8.17 1ze2B1 GLY 262 HA2 0.00 0.16 0.46 -0.51 4.01 4.12 1ze2B1 GLY 262 HA3 0.01 0.01 0.40 -0.51 4.01 3.92 1ze2B1 GLU 263 H 0.04 -0.00 -1.11 -0.55 8.60 6.99 1ze2B1 GLU 263 HA 0.09 0.14 0.62 -0.75 4.29 4.38 1ze2B1 GLU 263 HB2 0.08 -0.11 0.00 -0.04 2.09 2.02 1ze2B1 GLU 263 HB3 0.11 -0.07 -0.01 -0.04 1.99 1.98 1ze2B1 GLU 263 HG2 0.13 0.20 0.00 -0.04 2.34 2.63 1ze2B1 GLU 263 HG3 0.12 -0.01 0.11 -0.04 2.34 2.51 1ze2B1 VAL 264 H 0.14 0.12 0.20 -0.55 8.24 8.16 1ze2B1 VAL 264 HA 0.10 0.28 1.00 -0.75 4.13 4.75 1ze2B1 VAL 264 HB 0.24 -0.03 0.08 -0.04 2.12 2.37 1ze2B1 VAL 264 HG13 0.22 0.04 -0.02 -0.04 0.97 1.16 1ze2B1 VAL 264 HG23 0.23 -0.01 -0.03 -0.04 0.95 1.10 1ze2B1 VAL 265 H 0.06 0.67 0.29 -0.55 8.24 8.72 1ze2B1 VAL 265 HA 0.06 0.33 0.84 -0.75 4.13 4.60 1ze2B1 VAL 265 HB 0.12 -0.07 -0.14 -0.04 2.12 2.00 1ze2B1 VAL 265 HG13 0.29 -0.01 -0.34 -0.04 0.97 0.87 1ze2B1 VAL 265 HG23 0.15 -0.02 -0.26 -0.04 0.95 0.79 1ze2B1 ARG 266 H 0.06 0.55 0.09 -0.55 8.46 8.60 1ze2B1 ARG 266 HA -0.00 0.06 0.91 -0.75 4.34 4.55 1ze2B1 ARG 266 HB2 0.24 0.08 0.27 -0.04 1.90 2.46 1ze2B1 ARG 266 HB3 0.09 -0.07 -0.05 -0.04 1.80 1.73 1ze2B1 ARG 266 HG2 -0.15 -0.11 -0.09 -0.04 1.67 1.28 1ze2B1 ARG 266 HG3 -0.09 -0.07 -0.23 -0.04 1.67 1.25 1ze2B1 ARG 266 HD2 0.05 -0.09 0.01 -0.04 3.22 3.15 1ze2B1 ARG 266 HD3 -0.21 0.05 0.03 -0.04 3.22 3.04 1ze2B1 VAL 267 H 0.02 0.52 0.16 -0.55 8.24 8.39 1ze2B1 VAL 267 HA 0.11 0.33 0.72 -0.75 4.13 4.54 1ze2B1 VAL 267 HB -0.00 -0.01 0.31 -0.04 2.12 2.37 1ze2B1 VAL 267 HG13 0.00 -0.03 -0.11 -0.04 0.97 0.79 1ze2B1 VAL 267 HG23 0.01 -0.01 -0.04 -0.04 0.95 0.86 1ze2B1 PHE 268 H 0.39 0.60 0.31 -0.55 8.34 9.09 1ze2B1 PHE 268 HA -0.02 0.14 0.73 -0.75 4.62 4.71 1ze2B1 PHE 268 HB2 -0.03 0.02 -0.04 -0.04 3.15 3.06 1ze2B1 PHE 268 HB3 -0.02 -0.06 -0.00 -0.04 3.06 2.94 1ze2B1 PHE 268 HD2 -0.04 0.02 -0.33 -0.04 7.28 6.88 1ze2B1 PHE 268 HE2 -0.08 0.08 -0.02 -0.04 7.38 7.32 1ze2B1 PHE 268 HZ -0.10 0.20 0.01 -0.04 7.32 7.40 1ze2B1 ASN 269 H 0.15 0.15 0.19 -0.55 8.53 8.48 1ze2B1 ASN 269 HA 0.06 0.18 0.57 -0.75 4.76 4.82 1ze2B1 ASN 269 HB2 0.05 -0.09 0.11 -0.04 2.88 2.91 1ze2B1 ASN 269 HB3 0.03 0.12 0.02 -0.04 2.79 2.92 1ze2B1 ASN 269 HD21 0.01 -0.04 0.06 -0.04 7.03 7.02 1ze2B1 ASN 269 HD22 0.01 0.13 0.01 -0.04 7.74 7.85 1ze2B1 GLU 270 H 0.07 0.06 -0.02 -0.55 8.60 8.16 1ze2B1 GLU 270 HA 0.06 0.19 0.34 -0.75 4.29 4.12 1ze2B1 GLU 270 HB2 0.06 -0.08 0.14 -0.04 2.09 2.16 1ze2B1 GLU 270 HB3 0.05 0.08 0.10 -0.04 1.99 2.18 1ze2B1 GLU 270 HG2 0.10 0.21 0.07 -0.04 2.34 2.67 1ze2B1 GLU 270 HG3 0.10 -0.12 0.18 -0.04 2.34 2.46 1ze2B1 GLU 271 H 0.06 -0.08 -0.36 -0.55 8.60 7.67 1ze2B1 GLU 271 HA 0.03 0.13 0.46 -0.75 4.29 4.16 1ze2B1 GLU 271 HB2 0.03 -0.06 0.09 -0.04 2.09 2.11 1ze2B1 GLU 271 HB3 0.04 -0.09 0.02 -0.04 1.99 1.92 1ze2B1 GLU 271 HG2 0.02 0.01 -0.02 -0.04 2.34 2.31 1ze2B1 GLU 271 HG3 0.03 0.07 -0.02 -0.04 2.34 2.37 1ze2B1 GLY 272 H 0.11 -0.18 -0.02 -0.55 8.43 7.79 1ze2B1 GLY 272 HA2 0.23 0.11 0.19 -0.51 4.01 4.04 1ze2B1 GLY 272 HA3 0.12 0.23 0.80 -0.51 4.01 4.64 1ze2B1 ARG 273 H 0.08 -0.20 0.12 -0.55 8.46 7.91 1ze2B1 ARG 273 HA -0.06 0.14 0.62 -0.75 4.34 4.29 1ze2B1 ARG 273 HB2 -0.01 0.04 0.02 -0.04 1.90 1.91 1ze2B1 ARG 273 HB3 0.00 -0.14 0.12 -0.04 1.80 1.73 1ze2B1 ARG 273 HG2 -0.08 0.10 -0.66 -0.04 1.67 0.99 1ze2B1 ARG 273 HG3 -0.06 0.01 -0.08 -0.04 1.67 1.50 1ze2B1 ARG 273 HD2 -0.01 -0.03 -0.03 -0.04 3.22 3.10 1ze2B1 ARG 273 HD3 -0.01 -0.08 -0.06 -0.04 3.22 3.03 1ze2B1 LEU 274 H -0.33 0.12 0.08 -0.55 8.37 7.70 1ze2B1 LEU 274 HA -0.87 0.07 0.32 -0.75 4.35 3.11 1ze2B1 LEU 274 HB2 -0.74 0.10 -0.03 -0.04 1.64 0.93 1ze2B1 LEU 274 HB3 -0.48 -0.09 0.00 -0.04 1.64 1.03 1ze2B1 LEU 274 HG -0.28 -0.06 -0.46 -0.04 1.64 0.80 1ze2B1 LEU 274 HD13 -0.51 0.02 -0.23 -0.04 0.93 0.17 1ze2B1 LEU 274 HD23 -0.70 0.03 -0.10 -0.04 0.89 0.08 1ze2B1 LEU 275 H -0.17 0.52 0.35 -0.55 8.37 8.53 1ze2B1 LEU 275 HA -0.01 0.10 0.64 -0.75 4.35 4.32 1ze2B1 LEU 275 HB2 -0.02 0.28 0.19 -0.04 1.64 2.05 1ze2B1 LEU 275 HB3 -0.02 -0.03 -0.01 -0.04 1.64 1.53 1ze2B1 LEU 275 HG -0.01 0.04 0.03 -0.04 1.64 1.65 1ze2B1 LEU 275 HD13 -0.01 -0.01 -0.10 -0.04 0.93 0.77 1ze2B1 LEU 275 HD23 0.00 -0.05 -0.12 -0.04 0.89 0.69 1ze2B1 ALA 276 H -0.01 0.34 0.19 -0.55 8.40 8.38 1ze2B1 ALA 276 HA 0.02 -0.01 0.47 -0.75 4.34 4.07 1ze2B1 ALA 276 HB3 -0.08 0.14 -0.04 -0.04 1.41 1.39 1ze2B1 LEU 277 H -0.03 0.12 -0.00 -0.55 8.37 7.92 1ze2B1 LEU 277 HA -0.01 0.18 0.76 -0.75 4.35 4.53 1ze2B1 LEU 277 HB2 -0.05 -0.09 0.13 -0.04 1.64 1.59 1ze2B1 LEU 277 HB3 -0.09 0.07 0.04 -0.04 1.64 1.62 1ze2B1 LEU 277 HG 0.43 -0.08 -0.06 -0.04 1.64 1.89 1ze2B1 LEU 277 HD13 -0.36 -0.01 -0.06 -0.04 0.93 0.46 1ze2B1 LEU 277 HD23 -0.18 0.02 -0.08 -0.04 0.89 0.60 1ze2B1 ALA 278 H 0.01 0.53 0.36 -0.55 8.40 8.75 1ze2B1 ALA 278 HA -0.03 0.25 1.03 -0.75 4.34 4.84 1ze2B1 ALA 278 HB3 -0.04 -0.02 0.17 -0.04 1.41 1.48 1ze2B1 GLU 279 H -0.07 0.23 0.14 -0.55 8.60 8.36 1ze2B1 GLU 279 HA -0.00 0.32 0.88 -0.75 4.29 4.72 1ze2B1 GLU 279 HB2 -0.00 -0.01 -0.13 -0.04 2.09 1.90 1ze2B1 GLU 279 HB3 -0.05 -0.05 -0.02 -0.04 1.99 1.83 1ze2B1 GLU 279 HG2 -0.04 0.10 -0.17 -0.04 2.34 2.18 1ze2B1 GLU 279 HG3 0.01 0.10 -0.12 -0.04 2.34 2.29 1ze2B1 ALA 280 H -0.06 0.56 0.18 -0.55 8.40 8.54 1ze2B1 ALA 280 HA -0.51 -0.06 0.59 -0.75 4.34 3.60 1ze2B1 ALA 280 HB3 -0.16 0.06 0.10 -0.04 1.41 1.37 1ze2B1 GLU 281 H -0.30 0.12 0.29 -0.55 8.60 8.15 1ze2B1 GLU 281 HA -0.10 0.17 0.61 -0.75 4.29 4.21 1ze2B1 GLU 281 HB2 -0.16 0.08 0.15 -0.04 2.09 2.11 1ze2B1 GLU 281 HB3 -0.15 -0.07 0.08 -0.04 1.99 1.81 1ze2B1 GLU 281 HG2 -0.08 -0.03 0.05 -0.04 2.34 2.24 1ze2B1 GLU 281 HG3 -0.06 -0.02 0.12 -0.04 2.34 2.34 1ze2B1 ARG 282 H -0.23 -0.03 -0.19 -0.55 8.46 7.45 1ze2B1 ARG 282 HA -0.03 0.22 0.61 -0.75 4.34 4.39 1ze2B1 ARG 282 HB2 -0.05 -0.07 0.09 -0.04 1.90 1.83 1ze2B1 ARG 282 HB3 0.02 -0.04 0.17 -0.04 1.80 1.91 1ze2B1 ARG 282 HG2 -0.01 0.17 -0.04 -0.04 1.67 1.75 1ze2B1 ARG 282 HG3 -0.06 -0.09 -0.49 -0.04 1.67 1.00 1ze2B1 ARG 282 HD2 0.04 0.01 -0.03 -0.04 3.22 3.20 1ze2B1 ARG 282 HD3 0.03 -0.07 -0.00 -0.04 3.22 3.14 1ze2B1 ASN 283 H 0.06 0.08 0.03 -0.55 8.53 8.16 1ze2B1 ASN 283 HA 0.22 0.15 0.48 -0.75 4.76 4.86 1ze2B1 ASN 283 HB2 0.11 -0.02 -0.03 -0.04 2.88 2.90 1ze2B1 ASN 283 HB3 0.16 -0.00 0.00 -0.04 2.79 2.91 1ze2B1 ASN 283 HD21 0.08 0.06 0.03 -0.04 7.03 7.16 1ze2B1 ASN 283 HD22 0.11 -0.08 -0.07 -0.04 7.74 7.66 1ze2B1 ARG 303 HA -0.05 -0.09 0.19 -0.75 4.34 3.64 1ze2B1 ARG 303 HB2 -0.04 -0.10 0.12 -0.04 1.90 1.84 1ze2B1 ARG 303 HB3 -0.04 0.21 0.29 -0.04 1.80 2.22 1ze2B1 ARG 303 HG2 -0.01 -0.01 -0.03 -0.04 1.67 1.58 1ze2B1 ARG 303 HG3 -0.01 -0.03 -0.04 -0.04 1.67 1.54 1ze2B1 ARG 303 HD2 0.01 -0.05 -0.06 -0.04 3.22 3.08 1ze2B1 ARG 303 HD3 0.05 0.05 -0.12 -0.04 3.22 3.17 1ze2B1 LYS 304 H -0.08 0.25 0.18 -0.55 8.42 8.22 1ze2B1 LYS 304 HA -0.16 0.10 0.69 -0.75 4.32 4.19 1ze2B1 LYS 304 HB2 -0.07 -0.02 0.08 -0.04 1.87 1.81 1ze2B1 LYS 304 HB3 -0.18 -0.04 0.12 -0.04 1.79 1.65 1ze2B1 LYS 304 HG2 -0.50 -0.05 -0.08 -0.04 1.46 0.79 1ze2B1 LYS 304 HG3 -0.66 -0.02 0.08 -0.04 1.46 0.82 1ze2B1 LYS 304 HD2 -0.17 -0.01 0.02 -0.04 1.69 1.48 1ze2B1 LYS 304 HD3 -0.13 0.02 0.06 -0.04 1.68 1.60 1ze2B1 LYS 304 HE2 0.07 -0.02 -0.01 -0.04 2.99 2.99 1ze2B1 LYS 304 HE3 0.09 -0.02 -0.10 -0.04 2.99 2.91 1ze2B1 VAL 305 H -0.43 0.23 0.22 -0.55 8.24 7.71 1ze2B1 VAL 305 HA -0.35 0.17 0.86 -0.75 4.13 4.06 1ze2B1 VAL 305 HB -0.17 -0.08 -0.05 -0.04 2.12 1.78 1ze2B1 VAL 305 HG13 -0.10 -0.01 -0.12 -0.04 0.97 0.70 1ze2B1 VAL 305 HG23 -0.12 0.02 -0.32 -0.04 0.95 0.48 1ze2B1 PHE 306 H -0.10 0.66 0.27 -0.55 8.34 8.62 1ze2B1 PHE 306 HA -0.09 0.09 0.98 -0.75 4.62 4.85 1ze2B1 PHE 306 HB2 -0.13 0.23 0.10 -0.04 3.15 3.31 1ze2B1 PHE 306 HB3 -0.13 -0.14 0.02 -0.04 3.06 2.76 1ze2B1 PHE 306 HD2 -0.13 0.05 -0.28 -0.04 7.28 6.89 1ze2B1 PHE 306 HE2 -0.14 -0.05 -0.16 -0.04 7.38 7.00 1ze2B1 PHE 306 HZ -0.20 0.01 -0.13 -0.04 7.32 6.96 1ze2B1 GLN 307 H -0.01 0.17 -0.00 -0.55 8.47 8.08 1ze2B1 GLN 307 HA -0.01 0.19 0.77 -0.75 4.36 4.55 1ze2B1 GLN 307 HB2 -0.03 -0.00 0.13 -0.04 2.15 2.20 1ze2B1 GLN 307 HB3 -0.02 0.01 0.15 -0.04 2.02 2.12 1ze2B1 GLN 307 HG2 -0.03 0.14 -0.19 -0.04 2.40 2.29 1ze2B1 GLN 307 HG3 -0.05 -0.08 -0.43 -0.04 2.39 1.79 1ze2B1 GLN 307 HE21 -0.03 0.01 -0.15 -0.04 6.97 6.75 1ze2B1 GLN 307 HE22 -0.05 -0.04 -0.23 -0.04 7.69 7.33 1ze2B1 THR 308 H -0.07 0.16 -0.15 -0.55 8.28 7.68 1ze2B1 THR 308 HA -0.32 0.04 0.19 -0.75 4.39 3.54 1ze2B1 THR 308 HB -0.49 0.05 0.09 -0.04 4.32 3.93 1ze2B1 THR 308 HG23 -0.29 -0.01 0.04 -0.04 1.22 0.92