============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. HIS 3 0.900 -9.479 -2.711 -18.825 -99.200 -91.000 TYR 9 0.840 -4.562 -12.950 4.503 -99.200 -91.000 HIS 17 0.900 7.092 -12.421 -8.618 -99.200 -91.000 HIS 34 0.900 4.345 -8.097 -7.834 -99.200 -91.000 PHE 41 1.000 8.589 -12.764 8.224 -99.200 -91.000 PHE 59 1.000 -0.661 7.608 -9.967 -99.200 -91.000 TYR 60 0.840 -3.801 1.663 -6.052 -99.200 -91.000 TYR 67 0.840 4.480 -3.702 6.706 -99.200 -91.000 TRP 68 1.040 0.127 -6.458 15.811 -99.200 -91.000 TRP6 68 1.020 0.782 -8.705 16.159 -99.200 -91.000 PHE 80 1.000 18.955 -8.616 10.777 -99.200 -91.000 PHE 104 1.000 5.956 4.338 21.969 -99.200 -91.000 PHE 106 1.000 15.080 2.616 16.177 -99.200 -91.000 TYR 110 0.840 15.866 3.691 11.084 -99.200 -91.000 TYR 117 0.840 25.029 -9.898 13.563 -99.200 -91.000 TYR 122 0.840 37.971 -10.566 9.968 -99.200 -91.000 TYR 128 0.840 23.024 -4.116 12.522 -99.200 -91.000 PHE 147 1.000 5.162 8.551 7.211 -99.200 -91.000 TRP 150 1.040 -1.398 2.252 16.543 -99.200 -91.000 TRP6 150 1.020 -0.494 2.643 14.392 -99.200 -91.000 PHE 161 1.000 6.757 -2.290 16.964 -99.200 -91.000 TYR 170 0.840 14.622 -4.076 3.162 -99.200 -91.000 TYR 180 0.840 22.338 -5.425 16.666 -99.200 -91.000 HIS 199 0.900 -7.633 0.219 -1.623 -99.200 -91.000 PHE 208 1.000 -2.706 -18.257 -2.743 -99.200 -91.000 TRP 228 1.040 -4.646 9.130 -3.534 -99.200 -91.000 TRP6 228 1.020 -5.155 6.824 -3.558 -99.200 -91.000 HIS 235 0.900 -18.656 21.073 -21.200 -99.200 -91.000 HIS 249 0.900 -6.038 23.705 -25.343 -99.200 -91.000 TRP 256 1.040 -12.118 24.596 -12.084 -99.200 -91.000 TRP6 256 1.020 -13.801 24.989 -13.694 -99.200 -91.000 PHE 259 1.000 -6.962 21.691 -11.247 -99.200 -91.000 PHE 268 1.000 -13.676 10.064 -12.721 -99.200 -91.000 PHE 286 1.000 -3.658 32.537 -14.434 -99.200 -91.000 HIS 293 0.900 -7.621 38.346 -18.943 -99.200 -91.000 PHE 306 1.000 -6.392 5.071 -17.037 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1ze1A1 MET 1 HA -0.10 -0.09 0.24 -0.75 4.52 3.82 1ze1A1 MET 1 HB2 -0.04 -0.01 0.07 -0.04 2.15 2.12 1ze1A1 MET 1 HB3 0.00 0.01 0.08 -0.04 2.03 2.08 1ze1A1 MET 1 HG2 -0.60 -0.03 -0.21 -0.04 2.63 1.74 1ze1A1 MET 1 HG3 -0.27 0.02 -0.03 -0.04 2.56 2.25 1ze1A1 MET 1 HE3 0.20 -0.00 0.00 -0.04 2.10 2.26 1ze1A1 LYS 2 H -0.15 0.08 0.10 -0.55 8.42 7.89 1ze1A1 LYS 2 HA -0.07 0.13 0.70 -0.75 4.32 4.33 1ze1A1 LYS 2 HB2 -0.10 -0.05 0.02 -0.04 1.87 1.70 1ze1A1 LYS 2 HB3 -0.06 0.03 -0.02 -0.04 1.79 1.69 1ze1A1 LYS 2 HG2 -0.06 -0.03 -0.00 -0.04 1.46 1.33 1ze1A1 LYS 2 HG3 -0.05 0.04 -0.02 -0.04 1.46 1.39 1ze1A1 LYS 2 HD2 -0.02 0.03 -0.01 -0.04 1.69 1.64 1ze1A1 LYS 2 HD3 -0.03 0.04 -0.10 -0.04 1.68 1.56 1ze1A1 LYS 2 HE2 -0.01 -0.01 -0.04 -0.04 2.99 2.89 1ze1A1 LYS 2 HE3 -0.02 0.00 -0.06 -0.04 2.99 2.86 1ze1A1 HIS 3 H 0.02 0.25 0.20 -0.55 8.41 8.33 1ze1A1 HIS 3 HA -0.05 0.21 0.87 -0.75 4.63 4.91 1ze1A1 HIS 3 HB2 -0.09 -0.04 0.16 -0.04 3.26 3.25 1ze1A1 HIS 3 HB3 -0.08 -0.08 0.06 -0.04 3.20 3.05 1ze1A1 HIS 3 HD2 -0.03 0.08 -0.01 -0.04 6.97 6.96 1ze1A1 HIS 3 HE1 0.00 0.02 -0.01 -0.04 7.75 7.72 1ze1A1 GLY 4 H -0.02 0.31 0.28 -0.55 8.43 8.45 1ze1A1 GLY 4 HA2 -0.06 -0.01 0.30 -0.51 4.01 3.73 1ze1A1 GLY 4 HA3 -0.05 0.34 0.54 -0.51 4.01 4.32 1ze1A1 ILE 5 H -0.08 0.54 0.30 -0.55 8.25 8.46 1ze1A1 ILE 5 HA -0.18 0.25 1.01 -0.75 4.18 4.51 1ze1A1 ILE 5 HB -0.17 0.01 0.10 -0.04 1.89 1.80 1ze1A1 ILE 5 HG12 -1.20 -0.03 -0.07 -0.04 1.49 0.15 1ze1A1 ILE 5 HG13 -0.47 0.02 -0.10 -0.04 1.21 0.62 1ze1A1 ILE 5 HG23 -0.39 -0.02 -0.25 -0.04 0.93 0.22 1ze1A1 ILE 5 HD13 -0.10 -0.01 -0.35 -0.04 0.88 0.39 1ze1A1 LEU 6 H -0.15 0.62 0.34 -0.55 8.37 8.64 1ze1A1 LEU 6 HA -0.09 0.22 0.92 -0.75 4.35 4.65 1ze1A1 LEU 6 HB2 -0.08 -0.00 -0.13 -0.04 1.64 1.39 1ze1A1 LEU 6 HB3 -0.08 -0.05 0.12 -0.04 1.64 1.59 1ze1A1 LEU 6 HG -0.06 -0.02 -0.14 -0.04 1.64 1.37 1ze1A1 LEU 6 HD13 -0.06 -0.03 -0.42 -0.04 0.93 0.37 1ze1A1 LEU 6 HD23 -0.05 0.00 -0.15 -0.04 0.89 0.65 1ze1A1 VAL 7 H -0.08 0.32 0.09 -0.55 8.24 8.02 1ze1A1 VAL 7 HA -0.08 0.07 0.73 -0.75 4.13 4.09 1ze1A1 VAL 7 HB -0.02 0.13 0.12 -0.04 2.12 2.31 1ze1A1 VAL 7 HG13 0.04 -0.03 -0.24 -0.04 0.97 0.71 1ze1A1 VAL 7 HG23 -0.17 -0.00 -0.07 -0.04 0.95 0.67 1ze1A1 ALA 8 H -0.04 0.47 0.23 -0.55 8.40 8.52 1ze1A1 ALA 8 HA 0.01 0.19 0.92 -0.75 4.34 4.71 1ze1A1 ALA 8 HB3 -0.05 0.02 0.06 -0.04 1.41 1.40 1ze1A1 TYR 9 H 0.12 0.64 0.31 -0.55 8.29 8.82 1ze1A1 TYR 9 HA 0.01 0.33 0.88 -0.75 4.56 5.03 1ze1A1 TYR 9 HB2 0.01 0.04 -0.23 -0.04 3.06 2.83 1ze1A1 TYR 9 HB3 0.02 -0.09 -0.26 -0.04 2.98 2.62 1ze1A1 TYR 9 HD2 0.04 -0.05 -0.17 -0.04 7.15 6.93 1ze1A1 TYR 9 HE2 0.02 -0.04 -0.14 -0.04 6.85 6.65 1ze1A1 LYS 10 H -0.39 0.61 0.23 -0.55 8.42 8.32 1ze1A1 LYS 10 HA -0.03 0.12 0.86 -0.75 4.32 4.52 1ze1A1 LYS 10 HB2 -0.08 -0.08 -0.05 -0.04 1.87 1.62 1ze1A1 LYS 10 HB3 -0.18 -0.05 0.05 -0.04 1.79 1.57 1ze1A1 LYS 10 HG2 -0.05 0.37 -0.19 -0.04 1.46 1.55 1ze1A1 LYS 10 HG3 0.06 -0.13 -0.12 -0.04 1.46 1.23 1ze1A1 LYS 10 HD2 -0.00 -0.08 -0.43 -0.04 1.69 1.13 1ze1A1 LYS 10 HD3 -0.04 -0.19 -0.19 -0.04 1.68 1.22 1ze1A1 LYS 10 HE2 -0.04 -0.00 -0.37 -0.04 2.99 2.53 1ze1A1 LYS 10 HE3 -0.10 -0.18 -0.23 -0.04 2.99 2.44 1ze1A1 PRO 11 HA -0.07 -0.01 0.47 -0.51 4.44 4.32 1ze1A1 PRO 11 HB2 -0.07 0.10 -0.05 -0.04 2.28 2.22 1ze1A1 PRO 11 HB3 0.09 -0.00 0.09 -0.04 2.02 2.16 1ze1A1 PRO 11 HG2 0.11 -0.01 0.06 -0.04 2.03 2.15 1ze1A1 PRO 11 HG3 0.32 0.01 0.01 -0.04 2.03 2.33 1ze1A1 PRO 11 HD2 0.19 0.07 0.18 -0.04 3.68 4.09 1ze1A1 PRO 11 HD3 0.26 0.31 0.35 -0.04 3.65 4.53 1ze1A1 LYS 12 H 0.01 -0.00 0.13 -0.55 8.42 8.00 1ze1A1 LYS 12 HA -0.05 0.34 0.33 -0.75 4.32 4.19 1ze1A1 LYS 12 HB2 0.01 -0.07 0.05 -0.04 1.87 1.82 1ze1A1 LYS 12 HB3 0.02 -0.09 0.10 -0.04 1.79 1.78 1ze1A1 LYS 12 HG2 0.01 0.11 -0.03 -0.04 1.46 1.52 1ze1A1 LYS 12 HG3 0.05 -0.04 0.05 -0.04 1.46 1.47 1ze1A1 LYS 12 HD2 0.04 -0.07 -0.06 -0.04 1.69 1.56 1ze1A1 LYS 12 HD3 0.03 0.05 -0.37 -0.04 1.68 1.36 1ze1A1 LYS 12 HE2 0.07 -0.05 -0.03 -0.04 2.99 2.94 1ze1A1 LYS 12 HE3 0.13 -0.05 0.01 -0.04 2.99 3.03 1ze1A1 GLY 13 H -0.01 0.88 0.25 -0.55 8.43 9.01 1ze1A1 GLY 13 HA2 0.00 -0.13 0.31 -0.51 4.01 3.68 1ze1A1 GLY 13 HA3 -0.04 0.14 0.92 -0.51 4.01 4.53 1ze1A1 PRO 14 HA -0.02 -0.03 0.54 -0.51 4.44 4.42 1ze1A1 PRO 14 HB2 0.04 -0.01 0.01 -0.04 2.28 2.28 1ze1A1 PRO 14 HB3 -0.17 -0.02 0.07 -0.04 2.02 1.87 1ze1A1 PRO 14 HG2 -0.04 0.14 -0.03 -0.04 2.03 2.05 1ze1A1 PRO 14 HG3 -0.42 -0.04 -0.01 -0.04 2.03 1.52 1ze1A1 PRO 14 HD2 -0.09 0.30 -0.73 -0.04 3.68 3.12 1ze1A1 PRO 14 HD3 -0.16 0.06 -0.01 -0.04 3.65 3.50 1ze1A1 THR 15 H 0.04 0.01 0.18 -0.55 8.28 7.97 1ze1A1 THR 15 HA 0.03 0.30 0.66 -0.75 4.39 4.62 1ze1A1 THR 15 HB 0.04 -0.11 0.21 -0.04 4.32 4.42 1ze1A1 THR 15 HG23 0.02 0.05 0.08 -0.04 1.22 1.32 1ze1A1 SER 16 H 0.03 0.21 0.18 -0.55 8.46 8.33 1ze1A1 SER 16 HA -0.03 0.19 0.43 -0.75 4.49 4.33 1ze1A1 SER 16 HB2 -0.10 -0.04 0.12 -0.04 3.95 3.88 1ze1A1 SER 16 HB3 -0.29 0.05 0.00 -0.04 3.93 3.65 1ze1A1 HIS 17 H 0.21 0.10 -0.09 -0.55 8.41 8.08 1ze1A1 HIS 17 HA -0.01 0.11 0.39 -0.75 4.63 4.37 1ze1A1 HIS 17 HB2 0.01 -0.03 0.06 -0.04 3.26 3.26 1ze1A1 HIS 17 HB3 0.03 0.08 -0.04 -0.04 3.20 3.23 1ze1A1 HIS 17 HD2 -0.10 -0.14 0.01 -0.04 6.97 6.70 1ze1A1 HIS 17 HE1 0.13 0.05 -0.00 -0.04 7.75 7.88 1ze1A1 ASP 18 H 0.12 0.08 -0.47 -0.55 8.40 7.57 1ze1A1 ASP 18 HA 0.12 0.08 0.37 -0.75 4.63 4.44 1ze1A1 ASP 18 HB2 0.16 0.33 0.08 -0.04 2.71 3.24 1ze1A1 ASP 18 HB3 0.23 0.05 -0.01 -0.04 2.70 2.94 1ze1A1 VAL 19 H 0.07 0.31 -0.36 -0.55 8.24 7.72 1ze1A1 VAL 19 HA -0.24 0.03 0.40 -0.75 4.13 3.57 1ze1A1 VAL 19 HB -0.05 0.17 0.11 -0.04 2.12 2.30 1ze1A1 VAL 19 HG13 -0.16 -0.01 -0.14 -0.04 0.97 0.62 1ze1A1 VAL 19 HG23 0.09 0.05 -0.02 -0.04 0.95 1.03 1ze1A1 VAL 20 H -0.05 0.41 -0.13 -0.55 8.24 7.92 1ze1A1 VAL 20 HA -0.05 0.05 0.34 -0.75 4.13 3.71 1ze1A1 VAL 20 HB -0.06 0.07 0.07 -0.04 2.12 2.17 1ze1A1 VAL 20 HG13 -0.02 -0.01 -0.23 -0.04 0.97 0.67 1ze1A1 VAL 20 HG23 0.03 0.04 -0.13 -0.04 0.95 0.85 1ze1A1 ASP 21 H 0.01 0.51 -0.30 -0.55 8.40 8.08 1ze1A1 ASP 21 HA 0.01 0.04 0.42 -0.75 4.63 4.34 1ze1A1 ASP 21 HB2 0.06 0.07 0.14 -0.04 2.71 2.93 1ze1A1 ASP 21 HB3 0.04 -0.02 -0.03 -0.04 2.70 2.65 1ze1A1 GLU 22 H -0.04 0.45 -0.23 -0.55 8.60 8.23 1ze1A1 GLU 22 HA -0.01 0.05 0.44 -0.75 4.29 4.01 1ze1A1 GLU 22 HB2 -0.08 0.05 0.10 -0.04 2.09 2.12 1ze1A1 GLU 22 HB3 -0.38 0.05 0.12 -0.04 1.99 1.74 1ze1A1 GLU 22 HG2 -0.52 -0.10 -0.23 -0.04 2.34 1.45 1ze1A1 GLU 22 HG3 -0.18 0.03 -0.28 -0.04 2.34 1.87 1ze1A1 VAL 23 H -0.13 0.56 -0.10 -0.55 8.24 8.03 1ze1A1 VAL 23 HA -0.09 0.04 0.36 -0.75 4.13 3.69 1ze1A1 VAL 23 HB -0.07 0.07 0.08 -0.04 2.12 2.15 1ze1A1 VAL 23 HG13 -0.07 -0.01 -0.15 -0.04 0.97 0.70 1ze1A1 VAL 23 HG23 -0.13 0.07 0.01 -0.04 0.95 0.86 1ze1A1 ARG 24 H -0.04 0.52 -0.26 -0.55 8.46 8.12 1ze1A1 ARG 24 HA -0.03 -0.06 0.31 -0.75 4.34 3.81 1ze1A1 ARG 24 HB2 -0.02 0.08 0.08 -0.04 1.90 2.00 1ze1A1 ARG 24 HB3 -0.01 0.13 0.11 -0.04 1.80 1.98 1ze1A1 ARG 24 HG2 -0.01 0.03 -0.18 -0.04 1.67 1.47 1ze1A1 ARG 24 HG3 -0.02 -0.07 -0.08 -0.04 1.67 1.46 1ze1A1 ARG 24 HD2 0.00 -0.00 -0.05 -0.04 3.22 3.13 1ze1A1 ARG 24 HD3 0.00 -0.01 -0.07 -0.04 3.22 3.11 1ze1A1 LYS 25 H -0.02 0.39 -0.38 -0.55 8.42 7.85 1ze1A1 LYS 25 HA -0.01 0.01 0.41 -0.75 4.32 3.98 1ze1A1 LYS 25 HB2 0.01 0.06 0.15 -0.04 1.87 2.04 1ze1A1 LYS 25 HB3 -0.01 0.14 0.20 -0.04 1.79 2.09 1ze1A1 LYS 25 HG2 0.00 0.01 -0.19 -0.04 1.46 1.24 1ze1A1 LYS 25 HG3 0.01 -0.05 0.03 -0.04 1.46 1.41 1ze1A1 LYS 25 HD2 0.02 0.03 -0.01 -0.04 1.69 1.69 1ze1A1 LYS 25 HD3 0.02 -0.05 -0.02 -0.04 1.68 1.60 1ze1A1 LYS 25 HE2 0.03 0.05 -0.04 -0.04 2.99 2.99 1ze1A1 LYS 25 HE3 0.04 -0.05 -0.02 -0.04 2.99 2.92 1ze1A1 LYS 26 H -0.03 0.47 -0.08 -0.55 8.42 8.23 1ze1A1 LYS 26 HA -0.01 0.09 0.62 -0.75 4.32 4.27 1ze1A1 LYS 26 HB2 -0.04 0.02 0.09 -0.04 1.87 1.90 1ze1A1 LYS 26 HB3 -0.02 -0.11 0.06 -0.04 1.79 1.67 1ze1A1 LYS 26 HG2 -0.01 -0.06 0.01 -0.04 1.46 1.36 1ze1A1 LYS 26 HG3 -0.03 0.16 0.08 -0.04 1.46 1.63 1ze1A1 LYS 26 HD2 -0.04 -0.01 -0.03 -0.04 1.69 1.58 1ze1A1 LYS 26 HD3 -0.01 -0.09 0.03 -0.04 1.68 1.57 1ze1A1 LYS 26 HE2 0.01 -0.12 0.03 -0.04 2.99 2.87 1ze1A1 LYS 26 HE3 -0.00 -0.09 0.02 -0.04 2.99 2.88 1ze1A1 LEU 27 H -0.03 0.59 -0.05 -0.55 8.37 8.33 1ze1A1 LEU 27 HA -0.03 0.08 0.57 -0.75 4.35 4.21 1ze1A1 LEU 27 HB2 -0.04 0.06 0.05 -0.04 1.64 1.66 1ze1A1 LEU 27 HB3 -0.04 -0.08 0.00 -0.04 1.64 1.47 1ze1A1 LEU 27 HG -0.05 0.04 -0.02 -0.04 1.64 1.57 1ze1A1 LEU 27 HD13 -0.06 -0.02 -0.11 -0.04 0.93 0.70 1ze1A1 LEU 27 HD23 -0.04 -0.00 -0.06 -0.04 0.89 0.74 1ze1A1 LYS 28 H -0.02 0.34 -0.32 -0.55 8.42 7.86 1ze1A1 LYS 28 HA -0.02 0.08 0.30 -0.75 4.32 3.93 1ze1A1 LYS 28 HB2 -0.02 0.10 -0.37 -0.04 1.87 1.54 1ze1A1 LYS 28 HB3 -0.01 -0.07 0.25 -0.04 1.79 1.92 1ze1A1 LYS 28 HG2 -0.01 -0.09 0.01 -0.04 1.46 1.33 1ze1A1 LYS 28 HG3 -0.01 -0.01 0.06 -0.04 1.46 1.46 1ze1A1 LYS 28 HD2 -0.01 0.32 -0.09 -0.04 1.69 1.87 1ze1A1 LYS 28 HD3 -0.01 0.06 -0.22 -0.04 1.68 1.47 1ze1A1 LYS 28 HE2 -0.01 -0.04 0.07 -0.04 2.99 2.98 1ze1A1 LYS 28 HE3 -0.01 -0.12 0.02 -0.04 2.99 2.85 1ze1A1 THR 29 H -0.03 -0.02 -0.37 -0.55 8.28 7.31 1ze1A1 THR 29 HA -0.03 0.23 0.62 -0.75 4.39 4.45 1ze1A1 THR 29 HB -0.04 -0.16 0.07 -0.04 4.32 4.14 1ze1A1 THR 29 HG23 -0.08 -0.00 0.11 -0.04 1.22 1.21 1ze1A1 ARG 30 H -0.04 0.05 0.17 -0.55 8.46 8.10 1ze1A1 ARG 30 HA -0.01 0.32 1.05 -0.75 4.34 4.95 1ze1A1 ARG 30 HB2 -0.00 0.02 0.11 -0.04 1.90 1.99 1ze1A1 ARG 30 HB3 -0.01 0.04 0.02 -0.04 1.80 1.81 1ze1A1 ARG 30 HG2 -0.01 -0.00 0.06 -0.04 1.67 1.67 1ze1A1 ARG 30 HG3 -0.00 -0.01 -0.24 -0.04 1.67 1.38 1ze1A1 ARG 30 HD2 0.01 0.02 -0.01 -0.04 3.22 3.19 1ze1A1 ARG 30 HD3 0.02 0.04 -0.01 -0.04 3.22 3.23 1ze1A1 LYS 31 H -0.03 0.08 0.12 -0.55 8.42 8.04 1ze1A1 LYS 31 HA -0.01 0.20 0.75 -0.75 4.32 4.51 1ze1A1 LYS 31 HB2 0.00 0.11 -0.27 -0.04 1.87 1.68 1ze1A1 LYS 31 HB3 0.00 -0.20 0.10 -0.04 1.79 1.65 1ze1A1 LYS 31 HG2 0.01 0.02 -0.10 -0.04 1.46 1.35 1ze1A1 LYS 31 HG3 -0.01 0.01 -0.19 -0.04 1.46 1.23 1ze1A1 LYS 31 HD2 -0.00 0.05 0.10 -0.04 1.69 1.79 1ze1A1 LYS 31 HD3 0.01 0.03 -0.01 -0.04 1.68 1.67 1ze1A1 LYS 31 HE2 -0.01 -0.01 -0.06 -0.04 2.99 2.87 1ze1A1 LYS 31 HE3 -0.00 0.01 -0.01 -0.04 2.99 2.94 1ze1A1 VAL 32 H -0.02 0.35 0.17 -0.55 8.24 8.19 1ze1A1 VAL 32 HA -0.03 0.28 0.95 -0.75 4.13 4.57 1ze1A1 VAL 32 HB -0.03 -0.01 0.02 -0.04 2.12 2.07 1ze1A1 VAL 32 HG13 -0.04 0.02 -0.02 -0.04 0.97 0.89 1ze1A1 VAL 32 HG23 -0.04 -0.02 -0.28 -0.04 0.95 0.57 1ze1A1 GLY 33 H -0.04 0.68 0.35 -0.55 8.43 8.88 1ze1A1 GLY 33 HA2 -0.07 0.14 0.77 -0.51 4.01 4.33 1ze1A1 GLY 33 HA3 -0.08 0.03 0.33 -0.51 4.01 3.78 1ze1A1 HIS 34 H -0.37 0.22 0.22 -0.55 8.41 7.93 1ze1A1 HIS 34 HA -0.05 0.36 0.99 -0.75 4.63 5.18 1ze1A1 HIS 34 HB2 -0.04 0.06 0.01 -0.04 3.26 3.25 1ze1A1 HIS 34 HB3 -0.08 0.01 -0.17 -0.04 3.20 2.91 1ze1A1 HIS 34 HD2 0.01 -0.04 -0.49 -0.04 6.97 6.40 1ze1A1 HIS 34 HE1 -0.26 0.01 -0.05 -0.04 7.75 7.41 1ze1A1 GLY 35 H 0.14 0.44 0.09 -0.55 8.43 8.56 1ze1A1 GLY 35 HA2 0.09 0.05 0.73 -0.51 4.01 4.37 1ze1A1 GLY 35 HA3 0.09 0.04 0.28 -0.51 4.01 3.91 1ze1A1 GLY 36 H 0.16 0.07 0.05 -0.55 8.43 8.16 1ze1A1 GLY 36 HA2 0.09 -0.03 0.42 -0.51 4.01 3.98 1ze1A1 GLY 36 HA3 0.10 0.22 0.68 -0.51 4.01 4.50 1ze1A1 THR 37 H 0.09 0.03 0.10 -0.55 8.28 7.96 1ze1A1 THR 37 HA -0.02 0.06 0.30 -0.75 4.39 3.99 1ze1A1 THR 37 HB 0.05 0.02 -0.01 -0.04 4.32 4.34 1ze1A1 THR 37 HG23 0.01 0.00 -0.04 -0.04 1.22 1.15 1ze1A1 LEU 38 H -0.01 0.13 0.13 -0.55 8.37 8.07 1ze1A1 LEU 38 HA 0.05 0.11 0.77 -0.75 4.35 4.51 1ze1A1 LEU 38 HB2 -0.02 -0.06 -0.04 -0.04 1.64 1.48 1ze1A1 LEU 38 HB3 -0.04 0.17 -0.20 -0.04 1.64 1.53 1ze1A1 LEU 38 HG 0.02 0.16 -0.17 -0.04 1.64 1.61 1ze1A1 LEU 38 HD13 -0.06 -0.01 -0.41 -0.04 0.93 0.42 1ze1A1 LEU 38 HD23 0.11 -0.02 -0.03 -0.04 0.89 0.91 1ze1A1 ASP 39 H 0.02 0.09 0.05 -0.55 8.40 8.02 1ze1A1 ASP 39 HA 0.07 0.07 0.41 -0.75 4.63 4.42 1ze1A1 ASP 39 HB2 0.06 -0.04 0.07 -0.04 2.71 2.76 1ze1A1 ASP 39 HB3 0.30 -0.04 0.05 -0.04 2.70 2.96 1ze1A1 PRO 40 HA 0.02 0.40 0.33 -0.51 4.44 4.68 1ze1A1 PRO 40 HB2 0.09 -0.06 0.07 -0.04 2.28 2.34 1ze1A1 PRO 40 HB3 0.04 0.28 0.02 -0.04 2.02 2.32 1ze1A1 PRO 40 HG2 0.05 0.03 0.09 -0.04 2.03 2.15 1ze1A1 PRO 40 HG3 0.04 -0.05 0.08 -0.04 2.03 2.06 1ze1A1 PRO 40 HD2 0.12 0.06 0.21 -0.04 3.68 4.03 1ze1A1 PRO 40 HD3 0.07 0.07 0.25 -0.04 3.65 4.00 1ze1A1 PHE 41 H 0.33 -0.01 -0.22 -0.55 8.34 7.89 1ze1A1 PHE 41 HA 0.01 0.13 0.49 -0.75 4.62 4.49 1ze1A1 PHE 41 HB2 0.01 0.02 0.07 -0.04 3.15 3.21 1ze1A1 PHE 41 HB3 0.01 -0.04 0.04 -0.04 3.06 3.03 1ze1A1 PHE 41 HD2 0.01 0.02 -0.11 -0.04 7.28 7.16 1ze1A1 PHE 41 HE2 0.00 -0.05 -0.24 -0.04 7.38 7.05 1ze1A1 PHE 41 HZ -0.02 -0.04 -0.14 -0.04 7.32 7.08 1ze1A1 ALA 42 H -0.37 0.24 -0.45 -0.55 8.40 7.27 1ze1A1 ALA 42 HA -0.46 0.15 0.84 -0.75 4.34 4.12 1ze1A1 ALA 42 HB3 -0.42 -0.04 -0.02 -0.04 1.41 0.89 1ze1A1 CYS 43 H -0.09 0.47 0.42 -0.55 8.50 8.75 1ze1A1 CYS 43 HA -0.20 0.40 0.70 -0.75 4.58 4.72 1ze1A1 CYS 43 HB2 -0.22 0.09 0.17 -0.04 2.97 2.96 1ze1A1 CYS 43 HB3 -0.06 -0.05 -0.14 -0.04 2.97 2.68 1ze1A1 GLY 44 H -0.52 0.40 0.26 -0.55 8.43 8.02 1ze1A1 GLY 44 HA2 0.15 0.01 0.32 -0.51 4.01 3.99 1ze1A1 GLY 44 HA3 0.01 0.08 1.08 -0.51 4.01 4.66 1ze1A1 VAL 45 H 0.02 0.46 0.21 -0.55 8.24 8.38 1ze1A1 VAL 45 HA 0.05 0.24 0.56 -0.75 4.13 4.22 1ze1A1 VAL 45 HB 0.01 -0.05 -0.08 -0.04 2.12 1.96 1ze1A1 VAL 45 HG13 0.06 0.01 -0.25 -0.04 0.97 0.75 1ze1A1 VAL 45 HG23 0.07 0.05 -0.24 -0.04 0.95 0.79 1ze1A1 LEU 46 H 0.00 0.59 0.25 -0.55 8.37 8.67 1ze1A1 LEU 46 HA 0.00 0.20 0.80 -0.75 4.35 4.60 1ze1A1 LEU 46 HB2 -0.04 0.03 -0.19 -0.04 1.64 1.39 1ze1A1 LEU 46 HB3 -0.04 -0.04 0.01 -0.04 1.64 1.53 1ze1A1 LEU 46 HG -0.02 0.04 -0.35 -0.04 1.64 1.28 1ze1A1 LEU 46 HD13 -0.02 -0.02 -0.07 -0.04 0.93 0.78 1ze1A1 LEU 46 HD23 -0.07 -0.03 -0.08 -0.04 0.89 0.68 1ze1A1 ILE 47 H 0.03 0.27 0.12 -0.55 8.25 8.11 1ze1A1 ILE 47 HA -0.08 0.12 0.60 -0.75 4.18 4.07 1ze1A1 ILE 47 HB 0.04 0.12 0.19 -0.04 1.89 2.20 1ze1A1 ILE 47 HG12 0.13 0.00 0.00 -0.04 1.49 1.59 1ze1A1 ILE 47 HG13 -0.14 -0.00 -0.01 -0.04 1.21 1.01 1ze1A1 ILE 47 HG23 -0.26 -0.04 -0.21 -0.04 0.93 0.39 1ze1A1 ILE 47 HD13 0.09 0.00 -0.07 -0.04 0.88 0.87 1ze1A1 ILE 48 H -0.11 0.55 0.42 -0.55 8.25 8.56 1ze1A1 ILE 48 HA -0.03 0.25 1.21 -0.75 4.18 4.85 1ze1A1 ILE 48 HB -0.08 -0.03 0.20 -0.04 1.89 1.95 1ze1A1 ILE 48 HG12 -0.05 0.17 -0.14 -0.04 1.49 1.43 1ze1A1 ILE 48 HG13 -0.07 -0.07 -0.07 -0.04 1.21 0.96 1ze1A1 ILE 48 HG23 -0.06 0.01 -0.15 -0.04 0.93 0.69 1ze1A1 ILE 48 HD13 -0.02 0.00 -0.13 -0.04 0.88 0.69 1ze1A1 GLY 49 H -0.05 0.47 0.10 -0.55 8.43 8.40 1ze1A1 GLY 49 HA2 -0.09 0.26 0.72 -0.51 4.01 4.38 1ze1A1 GLY 49 HA3 -0.05 -0.03 0.10 -0.51 4.01 3.51 1ze1A1 VAL 50 H -0.05 0.54 0.19 -0.55 8.24 8.36 1ze1A1 VAL 50 HA -0.04 0.26 1.06 -0.75 4.13 4.66 1ze1A1 VAL 50 HB -0.07 -0.10 0.01 -0.04 2.12 1.92 1ze1A1 VAL 50 HG13 -0.08 0.03 -0.08 -0.04 0.97 0.80 1ze1A1 VAL 50 HG23 -0.07 0.03 -0.29 -0.04 0.95 0.59 1ze1A1 ASN 51 H -0.03 0.75 0.19 -0.55 8.53 8.90 1ze1A1 ASN 51 HA 0.01 0.04 0.35 -0.75 4.76 4.41 1ze1A1 ASN 51 HB2 -0.12 0.16 0.21 -0.04 2.88 3.08 1ze1A1 ASN 51 HB3 0.03 0.02 0.22 -0.04 2.79 3.01 1ze1A1 ASN 51 HD21 -0.16 -0.09 0.06 -0.04 7.03 6.80 1ze1A1 ASN 51 HD22 -0.36 0.80 0.10 -0.04 7.74 8.24 1ze1A1 GLN 52 H 0.51 0.25 0.23 -0.55 8.47 8.92 1ze1A1 GLN 52 HA 0.13 0.09 0.40 -0.75 4.36 4.23 1ze1A1 GLN 52 HB2 0.09 0.01 0.11 -0.04 2.15 2.32 1ze1A1 GLN 52 HB3 0.09 0.02 0.00 -0.04 2.02 2.09 1ze1A1 GLN 52 HG2 0.13 -0.03 0.01 -0.04 2.40 2.47 1ze1A1 GLN 52 HG3 -0.27 0.07 -0.07 -0.04 2.39 2.08 1ze1A1 GLN 52 HE21 0.02 0.04 -0.05 -0.04 6.97 6.93 1ze1A1 GLN 52 HE22 -0.03 0.07 -0.42 -0.04 7.69 7.28 1ze1A1 GLY 53 H 0.09 0.54 -0.27 -0.55 8.43 8.24 1ze1A1 GLY 53 HA2 -0.02 0.08 0.29 -0.51 4.01 3.84 1ze1A1 GLY 53 HA3 -0.01 0.13 0.35 -0.51 4.01 3.96 1ze1A1 THR 54 H 0.04 0.58 -0.70 -0.55 8.28 7.66 1ze1A1 THR 54 HA 0.01 0.01 0.34 -0.75 4.39 3.99 1ze1A1 THR 54 HB 0.00 -0.04 -0.08 -0.04 4.32 4.17 1ze1A1 THR 54 HG23 -0.01 -0.03 -0.40 -0.04 1.22 0.73 1ze1A1 ARG 55 H 0.10 0.43 -0.39 -0.55 8.46 8.06 1ze1A1 ARG 55 HA 0.09 0.05 0.34 -0.75 4.34 4.07 1ze1A1 ARG 55 HB2 0.26 0.07 -0.04 -0.04 1.90 2.14 1ze1A1 ARG 55 HB3 0.09 -0.02 0.10 -0.04 1.80 1.93 1ze1A1 ARG 55 HG2 0.09 -0.15 0.02 -0.04 1.67 1.60 1ze1A1 ARG 55 HG3 0.17 0.14 0.15 -0.04 1.67 2.09 1ze1A1 ARG 55 HD2 0.04 -0.02 0.00 -0.04 3.22 3.20 1ze1A1 ARG 55 HD3 0.06 -0.02 -0.01 -0.04 3.22 3.20 1ze1A1 ILE 56 H 0.15 0.33 -0.72 -0.55 8.25 7.46 1ze1A1 ILE 56 HA 0.38 0.25 1.01 -0.75 4.18 5.07 1ze1A1 ILE 56 HB 0.12 -0.05 0.10 -0.04 1.89 2.01 1ze1A1 ILE 56 HG12 0.09 0.12 -0.07 -0.04 1.49 1.59 1ze1A1 ILE 56 HG13 0.25 -0.02 -0.29 -0.04 1.21 1.11 1ze1A1 ILE 56 HG23 0.19 0.02 -0.24 -0.04 0.93 0.85 1ze1A1 ILE 56 HD13 0.03 -0.01 -0.10 -0.04 0.88 0.76 1ze1A1 LEU 57 H 0.17 0.49 -0.20 -0.55 8.37 8.28 1ze1A1 LEU 57 HA 0.29 0.07 0.40 -0.75 4.35 4.35 1ze1A1 LEU 57 HB2 0.07 0.15 0.09 -0.04 1.64 1.91 1ze1A1 LEU 57 HB3 0.08 -0.02 -0.09 -0.04 1.64 1.57 1ze1A1 LEU 57 HG 0.02 0.05 -0.01 -0.04 1.64 1.66 1ze1A1 LEU 57 HD13 -0.03 0.05 -0.11 -0.04 0.93 0.79 1ze1A1 LEU 57 HD23 -0.04 -0.02 -0.29 -0.04 0.89 0.50 1ze1A1 GLU 58 H 0.18 0.20 -0.26 -0.55 8.60 8.17 1ze1A1 GLU 58 HA 0.07 0.05 0.31 -0.75 4.29 3.97 1ze1A1 GLU 58 HB2 -0.04 0.04 -0.01 -0.04 2.09 2.04 1ze1A1 GLU 58 HB3 -0.10 0.04 -0.03 -0.04 1.99 1.86 1ze1A1 GLU 58 HG2 0.04 0.00 0.01 -0.04 2.34 2.35 1ze1A1 GLU 58 HG3 -0.02 0.05 -0.00 -0.04 2.34 2.33 1ze1A1 PHE 59 H 0.47 0.22 -0.46 -0.55 8.34 8.02 1ze1A1 PHE 59 HA 0.11 0.07 0.37 -0.75 4.62 4.42 1ze1A1 PHE 59 HB2 0.04 0.18 0.06 -0.04 3.15 3.39 1ze1A1 PHE 59 HB3 0.11 -0.02 -0.02 -0.04 3.06 3.09 1ze1A1 PHE 59 HD2 0.10 -0.02 -0.01 -0.04 7.28 7.31 1ze1A1 PHE 59 HE2 0.03 0.03 -0.03 -0.04 7.38 7.36 1ze1A1 PHE 59 HZ 0.00 0.00 -0.07 -0.04 7.32 7.22 1ze1A1 TYR 60 H 0.51 0.29 -0.23 -0.55 8.29 8.31 1ze1A1 TYR 60 HA 0.29 0.05 0.55 -0.75 4.56 4.70 1ze1A1 TYR 60 HB2 0.15 0.10 0.11 -0.04 3.06 3.39 1ze1A1 TYR 60 HB3 0.16 -0.00 0.02 -0.04 2.98 3.12 1ze1A1 TYR 60 HD2 0.26 0.11 0.05 -0.04 7.15 7.52 1ze1A1 TYR 60 HE2 0.30 0.03 -0.03 -0.04 6.85 7.10 1ze1A1 LYS 61 H 0.21 0.39 -0.19 -0.55 8.42 8.28 1ze1A1 LYS 61 HA 0.13 0.08 0.41 -0.75 4.32 4.18 1ze1A1 LYS 61 HB2 0.08 0.13 0.05 -0.04 1.87 2.09 1ze1A1 LYS 61 HB3 0.08 -0.07 0.06 -0.04 1.79 1.82 1ze1A1 LYS 61 HG2 0.12 -0.05 -0.19 -0.04 1.46 1.30 1ze1A1 LYS 61 HG3 0.13 0.22 -0.07 -0.04 1.46 1.70 1ze1A1 LYS 61 HD2 0.07 -0.05 0.02 -0.04 1.69 1.69 1ze1A1 LYS 61 HD3 0.06 -0.09 0.08 -0.04 1.68 1.69 1ze1A1 LYS 61 HE2 0.05 -0.02 -0.12 -0.04 2.99 2.86 1ze1A1 LYS 61 HE3 0.04 0.07 -0.01 -0.04 2.99 3.04 1ze1A1 ASP 62 H 0.11 0.18 -0.58 -0.55 8.40 7.56 1ze1A1 ASP 62 HA 0.04 0.07 0.64 -0.75 4.63 4.63 1ze1A1 ASP 62 HB2 0.07 0.16 0.11 -0.04 2.71 3.00 1ze1A1 ASP 62 HB3 0.03 -0.08 0.04 -0.04 2.70 2.66 1ze1A1 LEU 63 H 0.06 0.17 -0.29 -0.55 8.37 7.76 1ze1A1 LEU 63 HA -0.12 -0.03 0.44 -0.75 4.35 3.88 1ze1A1 LEU 63 HB2 0.01 0.13 0.04 -0.04 1.64 1.78 1ze1A1 LEU 63 HB3 -0.18 -0.16 0.19 -0.04 1.64 1.46 1ze1A1 LEU 63 HG 0.01 0.12 0.25 -0.04 1.64 1.99 1ze1A1 LEU 63 HD13 -0.04 -0.04 0.03 -0.04 0.93 0.84 1ze1A1 LEU 63 HD23 -0.56 -0.03 0.03 -0.04 0.89 0.29 1ze1A1 LYS 64 H -0.11 -0.01 0.22 -0.55 8.42 7.97 1ze1A1 LYS 64 HA 0.09 0.20 0.67 -0.75 4.32 4.53 1ze1A1 LYS 64 HB2 -0.06 -0.08 0.05 -0.04 1.87 1.73 1ze1A1 LYS 64 HB3 0.08 0.04 0.04 -0.04 1.79 1.91 1ze1A1 LYS 64 HG2 -0.02 0.06 0.01 -0.04 1.46 1.47 1ze1A1 LYS 64 HG3 -0.16 -0.04 0.09 -0.04 1.46 1.31 1ze1A1 LYS 64 HD2 -0.30 -0.03 -0.02 -0.04 1.69 1.29 1ze1A1 LYS 64 HD3 -0.62 -0.01 -0.07 -0.04 1.68 0.94 1ze1A1 LYS 64 HE2 -0.88 0.03 -0.02 -0.04 2.99 2.08 1ze1A1 LYS 64 HE3 -0.37 -0.01 0.00 -0.04 2.99 2.57 1ze1A1 LYS 65 H 0.15 0.61 0.37 -0.55 8.42 9.00 1ze1A1 LYS 65 HA -0.02 0.28 1.15 -0.75 4.32 4.98 1ze1A1 LYS 65 HB2 0.16 0.01 0.11 -0.04 1.87 2.10 1ze1A1 LYS 65 HB3 -0.25 -0.06 0.01 -0.04 1.79 1.44 1ze1A1 LYS 65 HG2 0.03 -0.05 0.01 -0.04 1.46 1.40 1ze1A1 LYS 65 HG3 -0.04 0.06 0.08 -0.04 1.46 1.53 1ze1A1 LYS 65 HD2 0.06 -0.02 -0.67 -0.04 1.69 1.02 1ze1A1 LYS 65 HD3 0.10 -0.07 -0.05 -0.04 1.68 1.61 1ze1A1 LYS 65 HE2 0.08 -0.11 0.02 -0.04 2.99 2.94 1ze1A1 LYS 65 HE3 0.07 -0.04 -0.04 -0.04 2.99 2.94 1ze1A1 VAL 66 H -0.10 0.64 0.37 -0.55 8.24 8.60 1ze1A1 VAL 66 HA 0.17 0.39 1.29 -0.75 4.13 5.22 1ze1A1 VAL 66 HB 0.10 -0.08 0.14 -0.04 2.12 2.24 1ze1A1 VAL 66 HG13 0.31 -0.01 -0.14 -0.04 0.97 1.09 1ze1A1 VAL 66 HG23 0.22 0.00 -0.17 -0.04 0.95 0.97 1ze1A1 TYR 67 H 0.21 0.54 0.43 -0.55 8.29 8.92 1ze1A1 TYR 67 HA 0.06 0.18 1.30 -0.75 4.56 5.35 1ze1A1 TYR 67 HB2 -0.05 -0.03 0.05 -0.04 3.06 3.00 1ze1A1 TYR 67 HB3 -0.04 -0.02 -0.00 -0.04 2.98 2.88 1ze1A1 TYR 67 HD2 0.01 0.02 -0.16 -0.04 7.15 6.98 1ze1A1 TYR 67 HE2 0.01 0.04 -0.06 -0.04 6.85 6.80 1ze1A1 TRP 68 H 0.26 0.67 0.43 -0.55 7.97 8.79 1ze1A1 TRP 68 HA -0.21 0.25 1.06 -0.75 4.62 4.97 1ze1A1 TRP 68 HB2 -0.07 -0.02 0.06 -0.04 3.23 3.16 1ze1A1 TRP 68 HB3 -0.05 -0.05 0.25 -0.04 3.23 3.34 1ze1A1 TRP 68 HD1 -0.15 -0.03 -0.09 -0.04 7.22 6.91 1ze1A1 TRP 68 HE1 -0.07 0.03 -0.08 -0.04 10.20 10.04 1ze1A1 TRP 68 HE3 -0.05 -0.10 -0.15 -0.04 7.59 7.24 1ze1A1 TRP 68 HZ2 -0.04 0.00 -0.07 -0.04 7.44 7.29 1ze1A1 TRP 68 HZ3 -0.03 -0.05 -0.17 -0.04 7.13 6.84 1ze1A1 TRP 68 HH2 -0.03 -0.01 -0.11 -0.04 7.19 7.00 1ze1A1 VAL 69 H -1.02 0.60 0.35 -0.55 8.24 7.62 1ze1A1 VAL 69 HA -0.45 0.29 1.22 -0.75 4.13 4.43 1ze1A1 VAL 69 HB -0.41 -0.07 -0.05 -0.04 2.12 1.54 1ze1A1 VAL 69 HG13 -1.13 0.02 -0.13 -0.04 0.97 -0.31 1ze1A1 VAL 69 HG23 -0.25 0.02 0.03 -0.04 0.95 0.70 1ze1A1 LYS 70 H -0.36 0.47 0.37 -0.55 8.42 8.35 1ze1A1 LYS 70 HA -0.48 0.32 1.02 -0.75 4.32 4.43 1ze1A1 LYS 70 HB2 -0.49 0.02 -0.12 -0.04 1.87 1.23 1ze1A1 LYS 70 HB3 -0.11 -0.14 0.15 -0.04 1.79 1.65 1ze1A1 LYS 70 HG2 -0.08 0.00 -0.17 -0.04 1.46 1.17 1ze1A1 LYS 70 HG3 -0.14 0.05 -0.13 -0.04 1.46 1.20 1ze1A1 LYS 70 HD2 0.26 0.00 -0.09 -0.04 1.69 1.82 1ze1A1 LYS 70 HD3 0.08 -0.03 -0.10 -0.04 1.68 1.58 1ze1A1 LYS 70 HE2 0.04 -0.02 -0.10 -0.04 2.99 2.87 1ze1A1 LYS 70 HE3 0.09 0.03 -0.11 -0.04 2.99 2.96 1ze1A1 MET 71 H -0.18 0.70 0.36 -0.55 8.47 8.80 1ze1A1 MET 71 HA -0.10 0.21 1.24 -0.75 4.52 5.12 1ze1A1 MET 71 HB2 -0.09 -0.01 -0.13 -0.04 2.15 1.88 1ze1A1 MET 71 HB3 -0.11 -0.08 -0.16 -0.04 2.03 1.64 1ze1A1 MET 71 HG2 -0.07 0.09 0.03 -0.04 2.63 2.64 1ze1A1 MET 71 HG3 -0.05 -0.02 -0.06 -0.04 2.56 2.38 1ze1A1 MET 71 HE3 -0.05 0.00 -0.18 -0.04 2.10 1.83 1ze1A1 ARG 72 H -0.07 0.63 0.33 -0.55 8.46 8.80 1ze1A1 ARG 72 HA -0.05 0.16 0.79 -0.75 4.34 4.48 1ze1A1 ARG 72 HB2 -0.04 -0.03 -0.00 -0.04 1.90 1.78 1ze1A1 ARG 72 HB3 -0.06 -0.07 0.10 -0.04 1.80 1.74 1ze1A1 ARG 72 HG2 -0.04 -0.01 -0.16 -0.04 1.67 1.41 1ze1A1 ARG 72 HG3 -0.04 0.16 -0.15 -0.04 1.67 1.60 1ze1A1 ARG 72 HD2 -0.02 0.01 -0.06 -0.04 3.22 3.11 1ze1A1 ARG 72 HD3 -0.02 -0.03 -0.08 -0.04 3.22 3.04 1ze1A1 LEU 73 H -0.05 0.64 0.27 -0.55 8.37 8.68 1ze1A1 LEU 73 HA -0.08 0.08 0.67 -0.75 4.35 4.27 1ze1A1 LEU 73 HB2 -0.04 0.04 0.19 -0.04 1.64 1.79 1ze1A1 LEU 73 HB3 -0.06 -0.03 -0.02 -0.04 1.64 1.50 1ze1A1 LEU 73 HG -0.05 0.05 -0.00 -0.04 1.64 1.60 1ze1A1 LEU 73 HD13 -0.03 -0.02 -0.08 -0.04 0.93 0.76 1ze1A1 LEU 73 HD23 -0.06 -0.02 -0.12 -0.04 0.89 0.65 1ze1A1 GLY 74 H -0.11 0.75 0.20 -0.55 8.43 8.73 1ze1A1 GLY 74 HA2 -0.11 0.28 0.28 -0.51 4.01 3.95 1ze1A1 GLY 74 HA3 -0.07 0.01 0.44 -0.51 4.01 3.88 1ze1A1 LEU 75 H -0.11 0.24 -0.21 -0.55 8.37 7.74 1ze1A1 LEU 75 HA -0.08 0.17 0.82 -0.75 4.35 4.51 1ze1A1 LEU 75 HB2 -0.06 0.08 -0.25 -0.04 1.64 1.38 1ze1A1 LEU 75 HB3 -0.08 0.04 -0.12 -0.04 1.64 1.44 1ze1A1 LEU 75 HG -0.07 -0.10 -0.47 -0.04 1.64 0.96 1ze1A1 LEU 75 HD13 -0.04 0.01 -0.05 -0.04 0.93 0.81 1ze1A1 LEU 75 HD23 -0.05 -0.01 -0.14 -0.04 0.89 0.66 1ze1A1 ILE 76 H -0.08 0.61 0.19 -0.55 8.25 8.42 1ze1A1 ILE 76 HA -0.16 0.14 0.81 -0.75 4.18 4.22 1ze1A1 ILE 76 HB -0.15 0.01 0.01 -0.04 1.89 1.73 1ze1A1 ILE 76 HG12 -0.30 0.01 -0.16 -0.04 1.49 0.99 1ze1A1 ILE 76 HG13 -0.21 -0.05 -0.70 -0.04 1.21 0.20 1ze1A1 ILE 76 HG23 -0.34 0.00 -0.22 -0.04 0.93 0.34 1ze1A1 ILE 76 HD13 -0.41 -0.02 -0.23 -0.04 0.88 0.17 1ze1A1 THR 77 H 0.01 0.10 0.01 -0.55 8.28 7.85 1ze1A1 THR 77 HA 0.02 0.14 0.85 -0.75 4.39 4.64 1ze1A1 THR 77 HB -0.01 -0.05 -0.41 -0.04 4.32 3.81 1ze1A1 THR 77 HG23 -0.04 0.04 -0.31 -0.04 1.22 0.88 1ze1A1 GLU 78 H 0.02 0.31 0.08 -0.55 8.60 8.46 1ze1A1 GLU 78 HA 0.05 0.36 0.55 -0.75 4.29 4.50 1ze1A1 GLU 78 HB2 0.00 0.07 0.21 -0.04 2.09 2.34 1ze1A1 GLU 78 HB3 -0.03 -0.20 0.21 -0.04 1.99 1.92 1ze1A1 GLU 78 HG2 -0.03 -0.07 0.04 -0.04 2.34 2.24 1ze1A1 GLU 78 HG3 -0.06 0.10 -0.05 -0.04 2.34 2.29 1ze1A1 THR 79 H -0.04 -0.08 0.00 -0.55 8.28 7.62 1ze1A1 THR 79 HA -0.23 0.37 0.66 -0.75 4.39 4.44 1ze1A1 THR 79 HB -0.11 0.00 0.09 -0.04 4.32 4.27 1ze1A1 THR 79 HG23 -0.08 0.02 -0.01 -0.04 1.22 1.11 1ze1A1 PHE 80 H 0.17 0.08 -0.53 -0.55 8.34 7.52 1ze1A1 PHE 80 HA -0.11 0.02 0.28 -0.75 4.62 4.05 1ze1A1 PHE 80 HB2 -0.09 0.33 0.11 -0.04 3.15 3.46 1ze1A1 PHE 80 HB3 -0.09 -0.08 0.25 -0.04 3.06 3.10 1ze1A1 PHE 80 HD2 -0.09 -0.02 -0.17 -0.04 7.28 6.96 1ze1A1 PHE 80 HE2 -0.08 0.06 -0.08 -0.04 7.38 7.23 1ze1A1 PHE 80 HZ -0.30 -0.08 -0.12 -0.04 7.32 6.78 1ze1A1 ASP 81 H -0.08 0.09 -0.17 -0.55 8.40 7.69 1ze1A1 ASP 81 HA -0.20 0.33 0.78 -0.75 4.63 4.78 1ze1A1 ASP 81 HB2 -1.12 0.04 0.06 -0.04 2.71 1.65 1ze1A1 ASP 81 HB3 -0.57 0.05 -0.11 -0.04 2.70 2.03 1ze1A1 ILE 82 H -0.18 0.53 0.26 -0.55 8.25 8.31 1ze1A1 ILE 82 HA -0.07 0.07 0.34 -0.75 4.18 3.75 1ze1A1 ILE 82 HB -0.03 0.04 -0.03 -0.04 1.89 1.84 1ze1A1 ILE 82 HG12 0.04 0.18 0.17 -0.04 1.49 1.84 1ze1A1 ILE 82 HG13 -0.06 0.11 0.37 -0.04 1.21 1.59 1ze1A1 ILE 82 HG23 -0.02 0.01 0.05 -0.04 0.93 0.93 1ze1A1 ILE 82 HD13 -0.02 -0.11 -0.01 -0.04 0.88 0.70 1ze1A1 THR 83 H -0.23 0.03 -0.35 -0.55 8.28 7.18 1ze1A1 THR 83 HA -0.04 0.14 0.44 -0.75 4.39 4.17 1ze1A1 THR 83 HB -0.02 0.03 0.12 -0.04 4.32 4.41 1ze1A1 THR 83 HG23 0.02 0.00 -0.01 -0.04 1.22 1.19 1ze1A1 GLY 84 H -0.11 0.57 -0.52 -0.55 8.43 7.82 1ze1A1 GLY 84 HA2 -0.05 0.13 0.75 -0.51 4.01 4.33 1ze1A1 GLY 84 HA3 -0.06 -0.26 0.30 -0.51 4.01 3.48 1ze1A1 GLU 85 H -0.02 0.11 0.19 -0.55 8.60 8.33 1ze1A1 GLU 85 HA -0.02 0.11 0.46 -0.75 4.29 4.09 1ze1A1 GLU 85 HB2 -0.01 0.02 0.15 -0.04 2.09 2.21 1ze1A1 GLU 85 HB3 -0.01 -0.05 0.14 -0.04 1.99 2.02 1ze1A1 GLU 85 HG2 -0.00 0.17 -0.16 -0.04 2.34 2.30 1ze1A1 GLU 85 HG3 -0.01 0.01 0.04 -0.04 2.34 2.34 1ze1A1 VAL 86 H -0.01 0.16 0.20 -0.55 8.24 8.04 1ze1A1 VAL 86 HA -0.01 0.00 0.37 -0.75 4.13 3.74 1ze1A1 VAL 86 HB -0.01 -0.01 0.13 -0.04 2.12 2.20 1ze1A1 VAL 86 HG13 -0.02 -0.00 -0.16 -0.04 0.97 0.75 1ze1A1 VAL 86 HG23 -0.02 0.01 0.06 -0.04 0.95 0.96 1ze1A1 VAL 87 H 0.02 0.50 0.47 -0.55 8.24 8.68 1ze1A1 VAL 87 HA 0.03 0.19 0.97 -0.75 4.13 4.56 1ze1A1 VAL 87 HB 0.10 -0.08 -0.05 -0.04 2.12 2.05 1ze1A1 VAL 87 HG13 0.05 0.07 -0.10 -0.04 0.97 0.94 1ze1A1 VAL 87 HG23 0.16 0.02 -0.35 -0.04 0.95 0.74 1ze1A1 GLU 88 H -0.00 0.28 0.16 -0.55 8.60 8.50 1ze1A1 GLU 88 HA 0.00 0.06 0.40 -0.75 4.29 4.00 1ze1A1 GLU 88 HB2 0.08 0.25 -0.08 -0.04 2.09 2.31 1ze1A1 GLU 88 HB3 0.00 -0.06 -0.19 -0.04 1.99 1.70 1ze1A1 GLU 88 HG2 -0.05 -0.05 -0.33 -0.04 2.34 1.86 1ze1A1 GLU 88 HG3 0.00 0.01 -0.01 -0.04 2.34 2.29 1ze1A1 GLU 89 H -0.03 0.21 0.01 -0.55 8.60 8.24 1ze1A1 GLU 89 HA -0.06 0.13 0.81 -0.75 4.29 4.41 1ze1A1 GLU 89 HB2 -0.03 -0.11 -0.15 -0.04 2.09 1.76 1ze1A1 GLU 89 HB3 -0.03 -0.04 0.18 -0.04 1.99 2.06 1ze1A1 GLU 89 HG2 -0.04 0.14 0.03 -0.04 2.34 2.42 1ze1A1 GLU 89 HG3 -0.05 0.28 0.28 -0.04 2.34 2.81 1ze1A1 ARG 90 H -0.09 0.09 -0.11 -0.55 8.46 7.80 1ze1A1 ARG 90 HA -0.05 0.07 0.50 -0.75 4.34 4.10 1ze1A1 ARG 90 HB2 -0.11 0.13 0.03 -0.04 1.90 1.91 1ze1A1 ARG 90 HB3 -0.08 -0.05 0.20 -0.04 1.80 1.83 1ze1A1 ARG 90 HG2 -0.08 -0.01 -0.07 -0.04 1.67 1.47 1ze1A1 ARG 90 HG3 -0.12 -0.06 -0.16 -0.04 1.67 1.28 1ze1A1 ARG 90 HD2 -0.22 -0.06 -0.20 -0.04 3.22 2.71 1ze1A1 ARG 90 HD3 -0.13 0.08 -0.05 -0.04 3.22 3.09 1ze1A1 GLU 91 H -0.06 0.19 0.18 -0.55 8.60 8.36 1ze1A1 GLU 91 HA -0.04 0.21 0.94 -0.75 4.29 4.64 1ze1A1 GLU 91 HB2 -0.03 -0.04 0.03 -0.04 2.09 2.01 1ze1A1 GLU 91 HB3 -0.03 -0.01 0.00 -0.04 1.99 1.91 1ze1A1 GLU 91 HG2 -0.03 0.03 -0.02 -0.04 2.34 2.29 1ze1A1 GLU 91 HG3 -0.02 -0.03 -0.03 -0.04 2.34 2.21 1ze1A1 CYS 92 H -0.04 0.25 0.11 -0.55 8.50 8.27 1ze1A1 CYS 92 HA -0.05 0.24 1.01 -0.75 4.58 5.02 1ze1A1 CYS 92 HB2 -0.06 0.04 -0.17 -0.04 2.97 2.74 1ze1A1 CYS 92 HB3 -0.04 -0.01 -0.10 -0.04 2.97 2.78 1ze1A1 ASN 93 H -0.03 0.22 -0.05 -0.55 8.53 8.13 1ze1A1 ASN 93 HA -0.02 0.15 0.61 -0.75 4.76 4.75 1ze1A1 ASN 93 HB2 -0.01 -0.02 0.13 -0.04 2.88 2.94 1ze1A1 ASN 93 HB3 -0.02 0.08 -0.09 -0.04 2.79 2.72 1ze1A1 ASN 93 HD21 -0.02 0.04 -0.01 -0.04 7.03 6.99 1ze1A1 ASN 93 HD22 -0.02 -0.00 0.07 -0.04 7.74 7.76 1ze1A1 VAL 94 H -0.02 0.15 -0.01 -0.55 8.24 7.81 1ze1A1 VAL 94 HA -0.01 0.20 0.87 -0.75 4.13 4.44 1ze1A1 VAL 94 HB -0.01 -0.05 0.05 -0.04 2.12 2.07 1ze1A1 VAL 94 HG13 -0.02 0.01 -0.05 -0.04 0.97 0.88 1ze1A1 VAL 94 HG23 -0.02 -0.01 -0.11 -0.04 0.95 0.77 1ze1A1 THR 95 H -0.00 0.13 0.17 -0.55 8.28 8.03 1ze1A1 THR 95 HA 0.00 0.25 0.65 -0.75 4.39 4.53 1ze1A1 THR 95 HB 0.01 -0.02 0.16 -0.04 4.32 4.43 1ze1A1 THR 95 HG23 0.00 0.06 0.04 -0.04 1.22 1.28 1ze1A1 GLU 96 H 0.01 0.25 0.19 -0.55 8.60 8.50 1ze1A1 GLU 96 HA 0.01 0.12 0.40 -0.75 4.29 4.06 1ze1A1 GLU 96 HB2 0.02 0.01 0.12 -0.04 2.09 2.20 1ze1A1 GLU 96 HB3 0.03 0.03 0.09 -0.04 1.99 2.10 1ze1A1 GLU 96 HG2 0.02 0.04 0.07 -0.04 2.34 2.42 1ze1A1 GLU 96 HG3 0.01 0.00 0.12 -0.04 2.34 2.44 1ze1A1 GLU 97 H 0.02 0.06 -0.29 -0.55 8.60 7.84 1ze1A1 GLU 97 HA 0.04 0.14 0.51 -0.75 4.29 4.21 1ze1A1 GLU 97 HB2 0.01 -0.02 0.02 -0.04 2.09 2.06 1ze1A1 GLU 97 HB3 0.02 0.08 0.01 -0.04 1.99 2.06 1ze1A1 GLU 97 HG2 0.01 0.07 0.01 -0.04 2.34 2.39 1ze1A1 GLU 97 HG3 0.02 0.04 -0.01 -0.04 2.34 2.35 1ze1A1 GLU 98 H 0.01 0.13 -0.29 -0.55 8.60 7.91 1ze1A1 GLU 98 HA 0.01 0.14 0.48 -0.75 4.29 4.17 1ze1A1 GLU 98 HB2 0.00 0.06 0.14 -0.04 2.09 2.25 1ze1A1 GLU 98 HB3 0.00 0.10 0.03 -0.04 1.99 2.08 1ze1A1 GLU 98 HG2 0.00 0.09 0.02 -0.04 2.34 2.42 1ze1A1 GLU 98 HG3 0.00 -0.13 0.06 -0.04 2.34 2.24 1ze1A1 ILE 99 H 0.01 0.35 -0.21 -0.55 8.25 7.85 1ze1A1 ILE 99 HA -0.01 0.10 0.38 -0.75 4.18 3.90 1ze1A1 ILE 99 HB 0.00 0.02 0.11 -0.04 1.89 1.98 1ze1A1 ILE 99 HG12 -0.02 0.01 -0.11 -0.04 1.49 1.32 1ze1A1 ILE 99 HG13 -0.01 0.10 -0.16 -0.04 1.21 1.11 1ze1A1 ILE 99 HG23 -0.04 0.00 -0.21 -0.04 0.93 0.64 1ze1A1 ILE 99 HD13 -0.01 -0.01 -0.16 -0.04 0.88 0.66 1ze1A1 ARG 100 H 0.04 0.55 -0.02 -0.55 8.46 8.47 1ze1A1 ARG 100 HA 0.02 -0.02 0.32 -0.75 4.34 3.91 1ze1A1 ARG 100 HB2 0.11 0.05 0.14 -0.04 1.90 2.16 1ze1A1 ARG 100 HB3 0.30 0.01 -0.03 -0.04 1.80 2.03 1ze1A1 ARG 100 HG2 0.16 -0.06 0.03 -0.04 1.67 1.75 1ze1A1 ARG 100 HG3 0.08 0.13 0.11 -0.04 1.67 1.95 1ze1A1 ARG 100 HD2 0.10 -0.01 -0.02 -0.04 3.22 3.25 1ze1A1 ARG 100 HD3 0.20 0.01 -0.00 -0.04 3.22 3.39 1ze1A1 GLU 101 H 0.07 0.35 -0.48 -0.55 8.60 7.99 1ze1A1 GLU 101 HA 0.11 0.00 0.30 -0.75 4.29 3.95 1ze1A1 GLU 101 HB2 0.04 0.28 0.18 -0.04 2.09 2.55 1ze1A1 GLU 101 HB3 0.03 0.09 0.03 -0.04 1.99 2.09 1ze1A1 GLU 101 HG2 0.03 -0.05 0.02 -0.04 2.34 2.30 1ze1A1 GLU 101 HG3 0.02 -0.04 -0.01 -0.04 2.34 2.26 1ze1A1 ALA 102 H 0.03 0.34 -0.37 -0.55 8.40 7.85 1ze1A1 ALA 102 HA 0.04 0.04 0.37 -0.75 4.34 4.05 1ze1A1 ALA 102 HB3 0.03 0.02 0.08 -0.04 1.41 1.50 1ze1A1 ILE 103 H -0.07 0.59 -0.06 -0.55 8.25 8.15 1ze1A1 ILE 103 HA -0.23 0.01 0.33 -0.75 4.18 3.53 1ze1A1 ILE 103 HB -0.53 0.02 0.14 -0.04 1.89 1.49 1ze1A1 ILE 103 HG12 -0.18 0.30 -0.09 -0.04 1.49 1.48 1ze1A1 ILE 103 HG13 -0.32 -0.09 -0.16 -0.04 1.21 0.60 1ze1A1 ILE 103 HG23 -1.02 -0.02 -0.20 -0.04 0.93 -0.34 1ze1A1 ILE 103 HD13 -0.36 -0.02 -0.13 -0.04 0.88 0.33 1ze1A1 PHE 104 H -0.13 0.49 0.00 -0.55 8.34 8.15 1ze1A1 PHE 104 HA -0.01 -0.03 0.33 -0.75 4.62 4.16 1ze1A1 PHE 104 HB2 -0.00 0.11 0.03 -0.04 3.15 3.25 1ze1A1 PHE 104 HB3 0.01 -0.02 0.15 -0.04 3.06 3.17 1ze1A1 PHE 104 HD2 0.02 0.13 0.04 -0.04 7.28 7.42 1ze1A1 PHE 104 HE2 0.05 0.08 0.00 -0.04 7.38 7.48 1ze1A1 PHE 104 HZ 0.05 -0.12 -0.02 -0.04 7.32 7.20 1ze1A1 SER 105 H 0.09 0.30 -1.17 -0.55 8.46 7.13 1ze1A1 SER 105 HA 0.00 0.06 0.57 -0.75 4.49 4.36 1ze1A1 SER 105 HB2 -0.14 -0.11 0.12 -0.04 3.95 3.78 1ze1A1 SER 105 HB3 -0.01 0.26 0.14 -0.04 3.93 4.28 1ze1A1 PHE 106 H 0.20 0.45 -0.17 -0.55 8.34 8.27 1ze1A1 PHE 106 HA -0.10 0.21 0.72 -0.75 4.62 4.69 1ze1A1 PHE 106 HB2 -0.13 0.09 0.04 -0.04 3.15 3.11 1ze1A1 PHE 106 HB3 -0.10 -0.12 0.02 -0.04 3.06 2.82 1ze1A1 PHE 106 HD2 -0.60 0.12 -0.00 -0.04 7.28 6.76 1ze1A1 PHE 106 HE2 -0.39 -0.02 -0.09 -0.04 7.38 6.85 1ze1A1 PHE 106 HZ -0.15 0.06 -0.31 -0.04 7.32 6.89 1ze1A1 VAL 107 H 0.11 0.23 -0.35 -0.55 8.24 7.68 1ze1A1 VAL 107 HA 0.12 0.03 0.41 -0.75 4.13 3.94 1ze1A1 VAL 107 HB 0.12 0.05 0.15 -0.04 2.12 2.39 1ze1A1 VAL 107 HG13 0.14 -0.01 -0.11 -0.04 0.97 0.95 1ze1A1 VAL 107 HG23 0.19 -0.04 -0.00 -0.04 0.95 1.05 1ze1A1 GLY 108 H 0.06 0.28 0.31 -0.55 8.43 8.54 1ze1A1 GLY 108 HA2 0.04 -0.02 0.34 -0.51 4.01 3.86 1ze1A1 GLY 108 HA3 0.05 0.12 0.73 -0.51 4.01 4.40 1ze1A1 GLU 109 H 0.07 0.35 0.15 -0.55 8.60 8.62 1ze1A1 GLU 109 HA 0.03 0.12 0.73 -0.75 4.29 4.42 1ze1A1 GLU 109 HB2 -0.02 -0.06 0.10 -0.04 2.09 2.07 1ze1A1 GLU 109 HB3 -0.04 0.04 0.09 -0.04 1.99 2.04 1ze1A1 GLU 109 HG2 0.02 -0.08 -0.08 -0.04 2.34 2.16 1ze1A1 GLU 109 HG3 0.02 0.01 -0.03 -0.04 2.34 2.30 1ze1A1 TYR 110 H -0.14 0.01 0.20 -0.55 8.29 7.80 1ze1A1 TYR 110 HA 0.00 0.19 0.71 -0.75 4.56 4.71 1ze1A1 TYR 110 HB2 0.01 0.05 0.16 -0.04 3.06 3.24 1ze1A1 TYR 110 HB3 0.01 0.07 -0.34 -0.04 2.98 2.67 1ze1A1 TYR 110 HD2 0.11 0.11 -0.17 -0.04 7.15 7.15 1ze1A1 TYR 110 HE2 0.13 -0.04 -0.13 -0.04 6.85 6.77 1ze1A1 ASP 111 H -0.21 -0.23 0.28 -0.55 8.40 7.70 1ze1A1 ASP 111 HA -0.12 0.48 0.39 -0.75 4.63 4.63 1ze1A1 ASP 111 HB2 0.02 0.29 0.07 -0.04 2.71 3.04 1ze1A1 ASP 111 HB3 -0.02 0.01 -0.05 -0.04 2.70 2.60 1ze1A1 GLN 112 H -0.17 0.34 0.33 -0.55 8.47 8.43 1ze1A1 GLN 112 HA 0.07 0.29 0.97 -0.75 4.36 4.93 1ze1A1 GLN 112 HB2 0.14 -0.02 0.08 -0.04 2.15 2.31 1ze1A1 GLN 112 HB3 -0.25 -0.01 -0.11 -0.04 2.02 1.61 1ze1A1 GLN 112 HG2 -0.14 -0.02 0.02 -0.04 2.40 2.22 1ze1A1 GLN 112 HG3 0.08 0.06 -0.26 -0.04 2.39 2.23 1ze1A1 GLN 112 HE21 0.19 0.02 -0.07 -0.04 6.97 7.06 1ze1A1 GLN 112 HE22 0.28 0.09 -0.14 -0.04 7.69 7.87 1ze1A1 VAL 113 H 0.06 0.15 0.16 -0.55 8.24 8.07 1ze1A1 VAL 113 HA 0.01 0.29 0.98 -0.75 4.13 4.66 1ze1A1 VAL 113 HB -0.02 0.06 -0.02 -0.04 2.12 2.10 1ze1A1 VAL 113 HG13 -0.01 0.02 -0.37 -0.04 0.97 0.56 1ze1A1 VAL 113 HG23 0.02 -0.01 -0.12 -0.04 0.95 0.80 1ze1A1 PRO 114 HA -0.79 0.01 0.43 -0.51 4.44 3.58 1ze1A1 PRO 114 HB2 -0.19 0.02 -0.04 -0.04 2.28 2.03 1ze1A1 PRO 114 HB3 -0.41 0.01 0.07 -0.04 2.02 1.65 1ze1A1 PRO 114 HG2 -0.04 0.07 0.05 -0.04 2.03 2.07 1ze1A1 PRO 114 HG3 -0.08 0.01 0.03 -0.04 2.03 1.95 1ze1A1 PRO 114 HD2 -0.05 0.11 0.11 -0.04 3.68 3.80 1ze1A1 PRO 114 HD3 -0.00 0.25 0.17 -0.04 3.65 4.03 1ze1A1 PRO 115 HA -0.48 -0.02 0.46 -0.51 4.44 3.89 1ze1A1 PRO 115 HB2 -0.76 0.14 -0.04 -0.04 2.28 1.57 1ze1A1 PRO 115 HB3 -0.22 -0.09 -0.00 -0.04 2.02 1.67 1ze1A1 PRO 115 HG2 -0.29 0.06 0.16 -0.04 2.03 1.92 1ze1A1 PRO 115 HG3 -0.17 -0.05 0.10 -0.04 2.03 1.87 1ze1A1 PRO 115 HD2 -0.77 0.08 0.21 -0.04 3.68 3.16 1ze1A1 PRO 115 HD3 -0.52 0.01 0.17 -0.04 3.65 3.27 1ze1A1 ALA 116 H -0.27 0.04 0.12 -0.55 8.40 7.75 1ze1A1 ALA 116 HA -0.20 0.20 0.83 -0.75 4.34 4.42 1ze1A1 ALA 116 HB3 -0.00 -0.01 0.08 -0.04 1.41 1.44 1ze1A1 TYR 117 H 0.08 0.03 0.12 -0.55 8.29 7.97 1ze1A1 TYR 117 HA 0.05 0.08 0.54 -0.75 4.56 4.47 1ze1A1 TYR 117 HB2 0.20 -0.12 -0.19 -0.04 3.06 2.90 1ze1A1 TYR 117 HB3 0.18 0.18 0.11 -0.04 2.98 3.40 1ze1A1 TYR 117 HD2 -0.04 0.00 -0.21 -0.04 7.15 6.87 1ze1A1 TYR 117 HE2 0.11 -0.03 -0.15 -0.04 6.85 6.73 1ze1A1 SER 118 H -0.25 0.61 0.24 -0.55 8.46 8.52 1ze1A1 SER 118 HA 0.01 0.27 0.94 -0.75 4.49 4.96 1ze1A1 SER 118 HB2 -0.04 0.09 -0.07 -0.04 3.95 3.89 1ze1A1 SER 118 HB3 -0.07 0.01 -0.04 -0.04 3.93 3.79 1ze1A1 ALA 119 H -0.01 0.14 0.13 -0.55 8.40 8.11 1ze1A1 ALA 119 HA -0.01 0.21 0.77 -0.75 4.34 4.56 1ze1A1 ALA 119 HB3 0.01 0.02 0.11 -0.04 1.41 1.50 1ze1A1 LYS 120 H -0.05 -0.03 -0.21 -0.55 8.42 7.58 1ze1A1 LYS 120 HA -0.05 0.15 0.50 -0.75 4.32 4.17 1ze1A1 LYS 120 HB2 -0.03 0.00 -0.09 -0.04 1.87 1.72 1ze1A1 LYS 120 HB3 -0.02 0.04 0.05 -0.04 1.79 1.82 1ze1A1 LYS 120 HG2 -0.02 0.04 -0.01 -0.04 1.46 1.44 1ze1A1 LYS 120 HG3 -0.02 -0.12 0.00 -0.04 1.46 1.29 1ze1A1 LYS 120 HD2 -0.00 0.04 -0.01 -0.04 1.69 1.67 1ze1A1 LYS 120 HD3 -0.01 0.02 -0.01 -0.04 1.68 1.64 1ze1A1 LYS 120 HE2 -0.02 -0.06 -0.02 -0.04 2.99 2.85 1ze1A1 LYS 120 HE3 -0.01 0.03 -0.07 -0.04 2.99 2.90 1ze1A1 LYS 121 H -0.08 0.14 0.12 -0.55 8.42 8.04 1ze1A1 LYS 121 HA -0.28 0.03 0.50 -0.75 4.32 3.81 1ze1A1 LYS 121 HB2 -0.20 0.02 0.15 -0.04 1.87 1.79 1ze1A1 LYS 121 HB3 -0.27 0.03 0.08 -0.04 1.79 1.60 1ze1A1 LYS 121 HG2 -1.10 0.03 -0.03 -0.04 1.46 0.31 1ze1A1 LYS 121 HG3 -0.94 -0.06 0.05 -0.04 1.46 0.47 1ze1A1 LYS 121 HD2 -0.26 0.01 0.01 -0.04 1.69 1.41 1ze1A1 LYS 121 HD3 -0.23 0.01 0.03 -0.04 1.68 1.45 1ze1A1 LYS 121 HE2 -0.13 -0.02 0.04 -0.04 2.99 2.84 1ze1A1 LYS 121 HE3 -0.10 0.01 0.01 -0.04 2.99 2.87 1ze1A1 TYR 122 H -0.28 0.12 0.21 -0.55 8.29 7.78 1ze1A1 TYR 122 HA -0.02 -0.00 0.32 -0.75 4.56 4.10 1ze1A1 TYR 122 HB2 -0.02 0.20 0.26 -0.04 3.06 3.47 1ze1A1 TYR 122 HB3 -0.02 -0.01 0.17 -0.04 2.98 3.08 1ze1A1 TYR 122 HD2 -0.01 0.09 -0.09 -0.04 7.15 7.10 1ze1A1 TYR 122 HE2 -0.01 0.01 -0.04 -0.04 6.85 6.78 1ze1A1 LYS 123 H -0.07 0.13 -0.09 -0.55 8.42 7.84 1ze1A1 LYS 123 HA -0.02 0.17 0.76 -0.75 4.32 4.48 1ze1A1 LYS 123 HB2 -0.06 -0.06 -0.23 -0.04 1.87 1.48 1ze1A1 LYS 123 HB3 -0.05 -0.05 0.07 -0.04 1.79 1.72 1ze1A1 LYS 123 HG2 0.04 0.18 -0.76 -0.04 1.46 0.88 1ze1A1 LYS 123 HG3 0.00 -0.07 -0.19 -0.04 1.46 1.15 1ze1A1 LYS 123 HD2 0.00 -0.08 0.00 -0.04 1.69 1.57 1ze1A1 LYS 123 HD3 0.04 0.43 0.00 -0.04 1.68 2.11 1ze1A1 LYS 123 HE2 0.02 -0.06 -0.06 -0.04 2.99 2.85 1ze1A1 LYS 123 HE3 0.01 -0.03 -0.02 -0.04 2.99 2.91 1ze1A1 GLY 124 H -0.16 -0.06 0.10 -0.55 8.43 7.77 1ze1A1 GLY 124 HA2 -0.97 0.15 0.86 -0.51 4.01 3.54 1ze1A1 GLY 124 HA3 -0.47 0.03 0.48 -0.51 4.01 3.55 1ze1A1 GLU 125 H -0.08 0.15 0.14 -0.55 8.60 8.26 1ze1A1 GLU 125 HA 0.44 0.07 0.42 -0.75 4.29 4.47 1ze1A1 GLU 125 HB2 0.35 0.08 0.12 -0.04 2.09 2.59 1ze1A1 GLU 125 HB3 0.15 0.03 0.02 -0.04 1.99 2.15 1ze1A1 GLU 125 HG2 0.21 -0.22 0.13 -0.04 2.34 2.43 1ze1A1 GLU 125 HG3 0.45 0.04 0.09 -0.04 2.34 2.87 1ze1A1 ARG 126 H 0.18 0.20 0.06 -0.55 8.46 8.35 1ze1A1 ARG 126 HA 0.08 0.09 0.37 -0.75 4.34 4.13 1ze1A1 ARG 126 HB2 0.07 -0.04 -0.28 -0.04 1.90 1.60 1ze1A1 ARG 126 HB3 0.05 0.30 0.26 -0.04 1.80 2.38 1ze1A1 ARG 126 HG2 0.07 0.04 -0.18 -0.04 1.67 1.57 1ze1A1 ARG 126 HG3 0.06 0.01 -0.00 -0.04 1.67 1.70 1ze1A1 ARG 126 HD2 0.08 -0.01 -0.04 -0.04 3.22 3.21 1ze1A1 ARG 126 HD3 0.14 -0.06 -0.02 -0.04 3.22 3.24 1ze1A1 LEU 127 H 0.04 0.78 -0.55 -0.55 8.37 8.09 1ze1A1 LEU 127 HA 0.04 0.10 0.42 -0.75 4.35 4.15 1ze1A1 LEU 127 HB2 0.02 0.14 -0.07 -0.04 1.64 1.69 1ze1A1 LEU 127 HB3 -0.02 0.21 -0.13 -0.04 1.64 1.66 1ze1A1 LEU 127 HG 0.04 -0.04 -0.31 -0.04 1.64 1.29 1ze1A1 LEU 127 HD13 0.01 -0.02 0.01 -0.04 0.93 0.90 1ze1A1 LEU 127 HD23 -0.01 0.08 0.07 -0.04 0.89 0.99 1ze1A1 TYR 128 H 0.19 0.42 -0.12 -0.55 8.29 8.23 1ze1A1 TYR 128 HA 0.05 0.10 0.38 -0.75 4.56 4.34 1ze1A1 TYR 128 HB2 0.25 0.08 0.08 -0.04 3.06 3.42 1ze1A1 TYR 128 HB3 0.19 -0.16 0.05 -0.04 2.98 3.02 1ze1A1 TYR 128 HD2 0.03 -0.05 -0.05 -0.04 7.15 7.04 1ze1A1 TYR 128 HE2 -0.59 0.03 -0.07 -0.04 6.85 6.18 1ze1A1 LYS 129 H 0.15 -0.10 -0.50 -0.55 8.42 7.42 1ze1A1 LYS 129 HA -0.12 0.12 0.33 -0.75 4.32 3.90 1ze1A1 LYS 129 HB2 0.12 -0.29 0.09 -0.04 1.87 1.75 1ze1A1 LYS 129 HB3 0.05 0.16 0.04 -0.04 1.79 1.99 1ze1A1 LYS 129 HG2 0.02 0.08 -0.05 -0.04 1.46 1.46 1ze1A1 LYS 129 HG3 0.07 0.02 0.02 -0.04 1.46 1.52 1ze1A1 LYS 129 HD2 0.05 0.03 -0.01 -0.04 1.69 1.72 1ze1A1 LYS 129 HD3 0.06 0.07 -0.01 -0.04 1.68 1.75 1ze1A1 LYS 129 HE2 0.13 0.06 0.02 -0.04 2.99 3.15 1ze1A1 LYS 129 HE3 0.13 -0.28 0.07 -0.04 2.99 2.87 1ze1A1 LEU 130 H 0.02 0.50 -0.20 -0.55 8.37 8.14 1ze1A1 LEU 130 HA -0.01 0.06 0.40 -0.75 4.35 4.04 1ze1A1 LEU 130 HB2 0.01 0.10 0.17 -0.04 1.64 1.89 1ze1A1 LEU 130 HB3 -0.00 -0.06 -0.09 -0.04 1.64 1.44 1ze1A1 LEU 130 HG 0.02 0.08 0.06 -0.04 1.64 1.76 1ze1A1 LEU 130 HD13 0.01 -0.01 -0.04 -0.04 0.93 0.84 1ze1A1 LEU 130 HD23 0.00 -0.01 -0.02 -0.04 0.89 0.83 1ze1A1 ALA 131 H -0.02 0.66 -0.14 -0.55 8.40 8.36 1ze1A1 ALA 131 HA -0.02 -0.08 0.46 -0.75 4.34 3.94 1ze1A1 ALA 131 HB3 -0.02 0.02 0.09 -0.04 1.41 1.47 1ze1A1 ARG 132 H -0.17 0.53 -0.11 -0.55 8.46 8.16 1ze1A1 ARG 132 HA -0.09 0.01 0.36 -0.75 4.34 3.87 1ze1A1 ARG 132 HB2 -0.24 0.12 0.19 -0.04 1.90 1.93 1ze1A1 ARG 132 HB3 -0.14 0.00 0.01 -0.04 1.80 1.64 1ze1A1 ARG 132 HG2 -0.61 -0.00 0.09 -0.04 1.67 1.11 1ze1A1 ARG 132 HG3 -0.83 -0.12 -0.01 -0.04 1.67 0.67 1ze1A1 ARG 132 HD2 -0.05 0.15 0.11 -0.04 3.22 3.38 1ze1A1 ARG 132 HD3 -0.10 -0.11 0.07 -0.04 3.22 3.03 1ze1A1 GLU 133 H -0.05 0.31 -0.36 -0.55 8.60 7.95 1ze1A1 GLU 133 HA -0.02 0.09 0.54 -0.75 4.29 4.15 1ze1A1 GLU 133 HB2 -0.02 -0.00 0.12 -0.04 2.09 2.15 1ze1A1 GLU 133 HB3 -0.01 -0.05 0.15 -0.04 1.99 2.04 1ze1A1 GLU 133 HG2 -0.02 -0.01 0.02 -0.04 2.34 2.29 1ze1A1 GLU 133 HG3 -0.03 0.18 0.04 -0.04 2.34 2.49 1ze1A1 GLY 134 H -0.03 0.71 -0.50 -0.55 8.43 8.06 1ze1A1 GLY 134 HA2 -0.01 0.11 0.36 -0.51 4.01 3.96 1ze1A1 GLY 134 HA3 -0.01 0.01 0.47 -0.51 4.01 3.98 1ze1A1 LYS 135 H -0.01 0.42 -0.15 -0.55 8.42 8.12 1ze1A1 LYS 135 HA -0.01 0.11 0.50 -0.75 4.32 4.17 1ze1A1 LYS 135 HB2 -0.01 0.00 0.01 -0.04 1.87 1.83 1ze1A1 LYS 135 HB3 -0.01 -0.09 -0.03 -0.04 1.79 1.62 1ze1A1 LYS 135 HG2 -0.01 0.12 -0.17 -0.04 1.46 1.37 1ze1A1 LYS 135 HG3 -0.00 -0.09 -0.01 -0.04 1.46 1.31 1ze1A1 LYS 135 HD2 -0.00 -0.08 -0.01 -0.04 1.69 1.56 1ze1A1 LYS 135 HD3 -0.01 0.07 -0.07 -0.04 1.68 1.64 1ze1A1 LYS 135 HE2 -0.00 -0.05 -0.02 -0.04 2.99 2.88 1ze1A1 LYS 135 HE3 -0.00 0.12 -0.03 -0.04 2.99 3.03 1ze1A1 ILE 136 H -0.01 0.17 -0.15 -0.55 8.25 7.71 1ze1A1 ILE 136 HA -0.01 0.05 0.60 -0.75 4.18 4.07 1ze1A1 ILE 136 HB -0.01 0.06 0.06 -0.04 1.89 1.97 1ze1A1 ILE 136 HG12 -0.00 0.01 -0.02 -0.04 1.49 1.44 1ze1A1 ILE 136 HG13 -0.00 -0.01 0.01 -0.04 1.21 1.16 1ze1A1 ILE 136 HG23 -0.01 -0.11 -0.25 -0.04 0.93 0.52 1ze1A1 ILE 136 HD13 -0.00 -0.01 -0.19 -0.04 0.88 0.64 1ze1A1 ILE 137 H -0.01 0.09 0.14 -0.55 8.25 7.92 1ze1A1 ILE 137 HA -0.00 0.26 0.44 -0.75 4.18 4.12 1ze1A1 ILE 137 HB -0.01 0.05 0.07 -0.04 1.89 1.97 1ze1A1 ILE 137 HG12 -0.00 -0.01 -0.06 -0.04 1.49 1.38 1ze1A1 ILE 137 HG13 -0.00 0.06 0.05 -0.04 1.21 1.28 1ze1A1 ILE 137 HG23 -0.01 -0.02 -0.08 -0.04 0.93 0.79 1ze1A1 ILE 137 HD13 -0.00 -0.01 -0.01 -0.04 0.88 0.82 1ze1A1 ASN 138 H -0.01 0.02 -0.08 -0.55 8.53 7.92 1ze1A1 ASN 138 HA -0.00 0.17 0.59 -0.75 4.76 4.77 1ze1A1 ASN 138 HB2 -0.01 0.02 0.10 -0.04 2.88 2.95 1ze1A1 ASN 138 HB3 -0.01 -0.07 0.07 -0.04 2.79 2.74 1ze1A1 ASN 138 HD21 -0.02 -0.01 -0.08 -0.04 7.03 6.88 1ze1A1 ASN 138 HD22 -0.01 0.00 0.01 -0.04 7.74 7.70 1ze1A1 LEU 139 H -0.01 0.09 -0.75 -0.55 8.37 7.16 1ze1A1 LEU 139 HA -0.01 0.22 0.81 -0.75 4.35 4.61 1ze1A1 LEU 139 HB2 -0.01 -0.09 0.04 -0.04 1.64 1.54 1ze1A1 LEU 139 HB3 -0.01 0.03 0.02 -0.04 1.64 1.63 1ze1A1 LEU 139 HG -0.01 -0.12 -0.28 -0.04 1.64 1.19 1ze1A1 LEU 139 HD13 -0.01 -0.01 -0.07 -0.04 0.93 0.80 1ze1A1 LEU 139 HD23 -0.03 0.10 -0.05 -0.04 0.89 0.87 1ze1A1 PRO 140 HA -0.00 0.17 0.47 -0.51 4.44 4.57 1ze1A1 PRO 140 HB2 0.01 -0.00 -0.02 -0.04 2.28 2.22 1ze1A1 PRO 140 HB3 0.00 0.02 0.07 -0.04 2.02 2.08 1ze1A1 PRO 140 HG2 0.01 -0.04 0.01 -0.04 2.03 1.97 1ze1A1 PRO 140 HG3 0.00 0.17 -0.01 -0.04 2.03 2.15 1ze1A1 PRO 140 HD2 0.01 0.04 0.06 -0.04 3.68 3.75 1ze1A1 PRO 140 HD3 0.00 0.19 -0.53 -0.04 3.65 3.27 1ze1A1 PRO 141 HA 0.00 0.16 0.47 -0.51 4.44 4.56 1ze1A1 PRO 141 HB2 -0.01 -0.03 -0.12 -0.04 2.28 2.07 1ze1A1 PRO 141 HB3 -0.01 0.08 -0.05 -0.04 2.02 2.00 1ze1A1 PRO 141 HG2 -0.01 -0.06 0.05 -0.04 2.03 1.97 1ze1A1 PRO 141 HG3 -0.01 0.07 0.06 -0.04 2.03 2.11 1ze1A1 PRO 141 HD2 -0.00 0.04 0.26 -0.04 3.68 3.94 1ze1A1 PRO 141 HD3 -0.01 0.25 0.25 -0.04 3.65 4.10 1ze1A1 LYS 142 H -0.01 0.63 0.33 -0.55 8.42 8.81 1ze1A1 LYS 142 HA -0.01 0.16 0.89 -0.75 4.32 4.61 1ze1A1 LYS 142 HB2 0.03 0.07 -0.02 -0.04 1.87 1.92 1ze1A1 LYS 142 HB3 0.02 -0.03 0.12 -0.04 1.79 1.86 1ze1A1 LYS 142 HG2 -0.02 -0.01 -0.33 -0.04 1.46 1.05 1ze1A1 LYS 142 HG3 -0.00 -0.02 0.03 -0.04 1.46 1.44 1ze1A1 LYS 142 HD2 0.03 -0.03 0.00 -0.04 1.69 1.65 1ze1A1 LYS 142 HD3 0.02 0.05 -0.01 -0.04 1.68 1.71 1ze1A1 LYS 142 HE2 -0.02 -0.06 0.08 -0.04 2.99 2.95 1ze1A1 LYS 142 HE3 -0.02 0.03 -0.07 -0.04 2.99 2.89 1ze1A1 ARG 143 H -0.03 0.21 0.14 -0.55 8.46 8.22 1ze1A1 ARG 143 HA -0.09 -0.10 0.78 -0.75 4.34 4.19 1ze1A1 ARG 143 HB2 -0.02 0.05 0.08 -0.04 1.90 1.97 1ze1A1 ARG 143 HB3 -0.02 0.02 0.20 -0.04 1.80 1.95 1ze1A1 ARG 143 HG2 -0.01 0.01 -0.04 -0.04 1.67 1.58 1ze1A1 ARG 143 HG3 -0.04 0.04 -0.33 -0.04 1.67 1.30 1ze1A1 ARG 143 HD2 -0.01 0.04 -0.09 -0.04 3.22 3.11 1ze1A1 ARG 143 HD3 -0.04 -0.19 0.00 -0.04 3.22 2.95 1ze1A1 VAL 144 H -0.20 -0.13 0.31 -0.55 8.24 7.67 1ze1A1 VAL 144 HA -0.08 0.32 0.93 -0.75 4.13 4.55 1ze1A1 VAL 144 HB -0.09 0.01 0.02 -0.04 2.12 2.02 1ze1A1 VAL 144 HG13 -0.09 0.03 -0.22 -0.04 0.97 0.65 1ze1A1 VAL 144 HG23 -0.34 -0.03 -0.11 -0.04 0.95 0.43 1ze1A1 LYS 145 H -0.14 0.16 0.20 -0.55 8.42 8.08 1ze1A1 LYS 145 HA -0.17 0.44 1.31 -0.75 4.32 5.14 1ze1A1 LYS 145 HB2 -0.41 -0.08 0.18 -0.04 1.87 1.51 1ze1A1 LYS 145 HB3 -1.06 0.01 -0.00 -0.04 1.79 0.70 1ze1A1 LYS 145 HG2 -0.13 0.12 -0.01 -0.04 1.46 1.41 1ze1A1 LYS 145 HG3 -0.09 -0.03 -0.25 -0.04 1.46 1.05 1ze1A1 LYS 145 HD2 0.06 -0.03 -0.01 -0.04 1.69 1.67 1ze1A1 LYS 145 HD3 0.08 -0.00 -0.02 -0.04 1.68 1.69 1ze1A1 LYS 145 HE2 0.05 0.01 -0.05 -0.04 2.99 2.96 1ze1A1 LYS 145 HE3 0.03 0.01 -0.06 -0.04 2.99 2.92 1ze1A1 ILE 146 H -0.07 0.58 0.13 -0.55 8.25 8.34 1ze1A1 ILE 146 HA -0.00 0.08 0.82 -0.75 4.18 4.33 1ze1A1 ILE 146 HB 0.13 0.17 0.18 -0.04 1.89 2.33 1ze1A1 ILE 146 HG12 0.25 0.06 -0.13 -0.04 1.49 1.62 1ze1A1 ILE 146 HG13 0.13 -0.05 -0.11 -0.04 1.21 1.14 1ze1A1 ILE 146 HG23 0.13 -0.02 -0.29 -0.04 0.93 0.71 1ze1A1 ILE 146 HD13 0.16 -0.02 -0.39 -0.04 0.88 0.60 1ze1A1 PHE 147 H -0.07 0.46 0.24 -0.55 8.34 8.42 1ze1A1 PHE 147 HA 0.10 0.06 0.48 -0.75 4.62 4.50 1ze1A1 PHE 147 HB2 0.14 0.04 0.18 -0.04 3.15 3.46 1ze1A1 PHE 147 HB3 0.09 -0.04 0.01 -0.04 3.06 3.08 1ze1A1 PHE 147 HD2 0.08 0.02 -0.17 -0.04 7.28 7.16 1ze1A1 PHE 147 HE2 0.04 0.00 -0.12 -0.04 7.38 7.27 1ze1A1 PHE 147 HZ 0.03 0.02 0.00 -0.04 7.32 7.33 1ze1A1 LYS 148 H 0.39 0.22 0.20 -0.55 8.42 8.68 1ze1A1 LYS 148 HA 0.28 0.18 0.53 -0.75 4.32 4.55 1ze1A1 LYS 148 HB2 0.28 0.01 0.06 -0.04 1.87 2.18 1ze1A1 LYS 148 HB3 0.20 0.14 -0.13 -0.04 1.79 1.97 1ze1A1 LYS 148 HG2 0.25 -0.05 -0.08 -0.04 1.46 1.54 1ze1A1 LYS 148 HG3 0.60 -0.06 -0.21 -0.04 1.46 1.75 1ze1A1 LYS 148 HD2 -0.27 0.00 -0.12 -0.04 1.69 1.26 1ze1A1 LYS 148 HD3 -0.08 0.04 -0.08 -0.04 1.68 1.52 1ze1A1 LYS 148 HE2 -0.21 0.01 -0.08 -0.04 2.99 2.67 1ze1A1 LYS 148 HE3 -0.93 -0.04 -0.12 -0.04 2.99 1.85 1ze1A1 ILE 149 H 0.39 0.31 0.18 -0.55 8.25 8.58 1ze1A1 ILE 149 HA 0.22 0.36 1.06 -0.75 4.18 5.07 1ze1A1 ILE 149 HB -0.02 -0.03 0.04 -0.04 1.89 1.84 1ze1A1 ILE 149 HG12 0.04 0.02 -0.16 -0.04 1.49 1.35 1ze1A1 ILE 149 HG13 0.14 -0.11 -0.45 -0.04 1.21 0.74 1ze1A1 ILE 149 HG23 -0.42 0.01 -0.10 -0.04 0.93 0.38 1ze1A1 ILE 149 HD13 -0.15 -0.01 -0.21 -0.04 0.88 0.47 1ze1A1 TRP 150 H -0.11 0.54 0.30 -0.55 7.97 8.15 1ze1A1 TRP 150 HA 0.28 0.13 0.65 -0.75 4.62 4.93 1ze1A1 TRP 150 HB2 0.15 -0.09 0.18 -0.04 3.23 3.43 1ze1A1 TRP 150 HB3 0.16 0.10 -0.17 -0.04 3.23 3.27 1ze1A1 TRP 150 HD1 0.13 -0.03 -0.07 -0.04 7.22 7.20 1ze1A1 TRP 150 HE1 0.11 0.01 -0.09 -0.04 10.20 10.20 1ze1A1 TRP 150 HE3 0.15 -0.13 -0.58 -0.04 7.59 7.00 1ze1A1 TRP 150 HZ2 0.10 0.01 -0.12 -0.04 7.44 7.39 1ze1A1 TRP 150 HZ3 0.15 0.03 -0.20 -0.04 7.13 7.07 1ze1A1 TRP 150 HH2 0.11 0.01 -0.20 -0.04 7.19 7.07 1ze1A1 ASP 151 H 0.44 0.16 0.16 -0.55 8.40 8.62 1ze1A1 ASP 151 HA 0.22 0.06 0.35 -0.75 4.63 4.52 1ze1A1 ASP 151 HB2 -0.18 0.03 -0.17 -0.04 2.71 2.35 1ze1A1 ASP 151 HB3 0.16 0.03 0.18 -0.04 2.70 3.03 1ze1A1 VAL 152 H 0.20 0.01 -0.08 -0.55 8.24 7.82 1ze1A1 VAL 152 HA 0.09 0.33 0.80 -0.75 4.13 4.60 1ze1A1 VAL 152 HB 0.16 -0.05 0.08 -0.04 2.12 2.26 1ze1A1 VAL 152 HG13 0.00 -0.01 -0.17 -0.04 0.97 0.75 1ze1A1 VAL 152 HG23 -0.28 -0.01 -0.11 -0.04 0.95 0.51 1ze1A1 ASN 153 H 0.07 0.62 0.34 -0.55 8.53 9.02 1ze1A1 ASN 153 HA 0.08 0.11 0.88 -0.75 4.76 5.08 1ze1A1 ASN 153 HB2 0.12 0.07 -0.23 -0.04 2.88 2.79 1ze1A1 ASN 153 HB3 0.12 -0.04 0.13 -0.04 2.79 2.95 1ze1A1 ASN 153 HD21 0.08 0.00 -0.13 -0.04 7.03 6.94 1ze1A1 ASN 153 HD22 0.12 -0.03 -0.07 -0.04 7.74 7.72 1ze1A1 ILE 154 H 0.05 0.17 0.09 -0.55 8.25 8.01 1ze1A1 ILE 154 HA 0.02 0.18 0.86 -0.75 4.18 4.48 1ze1A1 ILE 154 HB 0.03 -0.03 0.20 -0.04 1.89 2.04 1ze1A1 ILE 154 HG12 0.01 0.05 -0.10 -0.04 1.49 1.41 1ze1A1 ILE 154 HG13 0.03 -0.07 -0.10 -0.04 1.21 1.04 1ze1A1 ILE 154 HG23 0.01 -0.01 -0.14 -0.04 0.93 0.75 1ze1A1 ILE 154 HD13 0.02 -0.02 0.03 -0.04 0.88 0.88 1ze1A1 GLU 155 H 0.02 0.69 0.23 -0.55 8.60 8.99 1ze1A1 GLU 155 HA 0.02 0.12 0.93 -0.75 4.29 4.61 1ze1A1 GLU 155 HB2 0.04 0.03 0.01 -0.04 2.09 2.12 1ze1A1 GLU 155 HB3 0.03 -0.04 0.22 -0.04 1.99 2.16 1ze1A1 GLU 155 HG2 0.04 -0.02 -0.01 -0.04 2.34 2.31 1ze1A1 GLU 155 HG3 0.03 -0.01 0.03 -0.04 2.34 2.35 1ze1A1 GLY 156 H 0.01 0.16 -0.02 -0.55 8.43 8.03 1ze1A1 GLY 156 HA2 0.00 0.04 0.32 -0.51 4.01 3.86 1ze1A1 GLY 156 HA3 0.00 0.07 0.69 -0.51 4.01 4.27 1ze1A1 ARG 157 H -0.01 0.15 0.22 -0.55 8.46 8.27 1ze1A1 ARG 157 HA -0.02 0.11 0.53 -0.75 4.34 4.21 1ze1A1 ARG 157 HB2 -0.03 0.13 0.16 -0.04 1.90 2.12 1ze1A1 ARG 157 HB3 -0.02 0.01 0.13 -0.04 1.80 1.88 1ze1A1 ARG 157 HG2 -0.01 -0.05 0.13 -0.04 1.67 1.70 1ze1A1 ARG 157 HG3 -0.02 -0.02 -0.17 -0.04 1.67 1.42 1ze1A1 ARG 157 HD2 -0.02 -0.01 0.04 -0.04 3.22 3.19 1ze1A1 ARG 157 HD3 -0.02 -0.02 -0.01 -0.04 3.22 3.13 1ze1A1 ASP 158 H -0.01 0.21 -0.19 -0.55 8.40 7.86 1ze1A1 ASP 158 HA -0.03 0.30 1.05 -0.75 4.63 5.20 1ze1A1 ASP 158 HB2 0.00 0.07 0.12 -0.04 2.71 2.86 1ze1A1 ASP 158 HB3 -0.01 0.01 -0.06 -0.04 2.70 2.60 1ze1A1 VAL 159 H -0.05 0.56 0.37 -0.55 8.24 8.57 1ze1A1 VAL 159 HA -0.01 0.31 1.11 -0.75 4.13 4.78 1ze1A1 VAL 159 HB 0.01 -0.01 -0.06 -0.04 2.12 2.02 1ze1A1 VAL 159 HG13 -0.01 -0.02 -0.28 -0.04 0.97 0.62 1ze1A1 VAL 159 HG23 -0.01 0.01 -0.08 -0.04 0.95 0.82 1ze1A1 SER 160 H -0.02 0.42 0.37 -0.55 8.46 8.68 1ze1A1 SER 160 HA -0.52 0.26 1.11 -0.75 4.49 4.58 1ze1A1 SER 160 HB2 -1.06 0.09 0.17 -0.04 3.95 3.11 1ze1A1 SER 160 HB3 -0.30 -0.08 -0.02 -0.04 3.93 3.49 1ze1A1 PHE 161 H -1.07 0.50 0.42 -0.55 8.34 7.63 1ze1A1 PHE 161 HA -0.22 0.41 0.47 -0.75 4.62 4.53 1ze1A1 PHE 161 HB2 -0.28 0.09 0.06 -0.04 3.15 2.98 1ze1A1 PHE 161 HB3 -0.23 0.03 -0.06 -0.04 3.06 2.76 1ze1A1 PHE 161 HD2 -0.28 0.08 -0.47 -0.04 7.28 6.56 1ze1A1 PHE 161 HE2 -0.21 -0.01 -0.22 -0.04 7.38 6.90 1ze1A1 PHE 161 HZ -0.22 -0.01 -0.20 -0.04 7.32 6.86 1ze1A1 ARG 162 H -0.30 0.62 0.33 -0.55 8.46 8.55 1ze1A1 ARG 162 HA -0.36 0.30 1.20 -0.75 4.34 4.73 1ze1A1 ARG 162 HB2 -2.04 -0.07 0.05 -0.04 1.90 -0.20 1ze1A1 ARG 162 HB3 -1.12 0.02 0.03 -0.04 1.80 0.70 1ze1A1 ARG 162 HG2 0.13 0.02 -0.00 -0.04 1.67 1.78 1ze1A1 ARG 162 HG3 -0.01 -0.01 -0.13 -0.04 1.67 1.47 1ze1A1 ARG 162 HD2 0.04 -0.03 -0.08 -0.04 3.22 3.11 1ze1A1 ARG 162 HD3 0.18 -0.00 -0.07 -0.04 3.22 3.29 1ze1A1 VAL 163 H -0.15 0.55 0.41 -0.55 8.24 8.50 1ze1A1 VAL 163 HA 0.08 0.34 1.06 -0.75 4.13 4.85 1ze1A1 VAL 163 HB 0.18 0.01 -0.14 -0.04 2.12 2.12 1ze1A1 VAL 163 HG13 0.22 0.02 -0.11 -0.04 0.97 1.06 1ze1A1 VAL 163 HG23 0.07 -0.04 -0.07 -0.04 0.95 0.86 1ze1A1 GLU 164 H 0.43 0.51 0.32 -0.55 8.60 9.31 1ze1A1 GLU 164 HA 0.33 0.28 1.03 -0.75 4.29 5.18 1ze1A1 GLU 164 HB2 0.52 -0.01 0.04 -0.04 2.09 2.60 1ze1A1 GLU 164 HB3 0.45 -0.15 0.25 -0.04 1.99 2.51 1ze1A1 GLU 164 HG2 0.33 0.03 -0.16 -0.04 2.34 2.50 1ze1A1 GLU 164 HG3 0.19 0.03 -0.08 -0.04 2.34 2.45 1ze1A1 VAL 165 H 0.29 0.69 0.38 -0.55 8.24 9.05 1ze1A1 VAL 165 HA 0.15 0.22 1.25 -0.75 4.13 4.99 1ze1A1 VAL 165 HB 0.16 -0.10 -0.14 -0.04 2.12 2.00 1ze1A1 VAL 165 HG13 0.24 0.02 -0.09 -0.04 0.97 1.10 1ze1A1 VAL 165 HG23 0.03 0.10 0.05 -0.04 0.95 1.10 1ze1A1 SER 166 H -0.02 0.35 0.37 -0.55 8.46 8.61 1ze1A1 SER 166 HA 0.29 0.12 0.64 -0.75 4.49 4.79 1ze1A1 SER 166 HB2 0.10 0.15 0.15 -0.04 3.95 4.31 1ze1A1 SER 166 HB3 0.07 -0.02 0.22 -0.04 3.93 4.15 1ze1A1 PRO 167 HA 0.08 -0.05 0.50 -0.51 4.44 4.46 1ze1A1 PRO 167 HB2 0.05 -0.05 0.10 -0.04 2.28 2.33 1ze1A1 PRO 167 HB3 0.07 0.19 0.19 -0.04 2.02 2.43 1ze1A1 PRO 167 HG2 0.05 -0.08 0.13 -0.04 2.03 2.09 1ze1A1 PRO 167 HG3 0.06 0.19 0.18 -0.04 2.03 2.42 1ze1A1 PRO 167 HD2 0.12 -0.02 0.26 -0.04 3.68 4.00 1ze1A1 PRO 167 HD3 0.11 0.32 0.16 -0.04 3.65 4.19 1ze1A1 GLY 168 H -0.01 0.11 0.19 -0.55 8.43 8.18 1ze1A1 GLY 168 HA2 -0.11 -0.04 0.30 -0.51 4.01 3.65 1ze1A1 GLY 168 HA3 -0.04 0.18 0.62 -0.51 4.01 4.26 1ze1A1 THR 169 H -0.04 0.19 -0.08 -0.55 8.28 7.80 1ze1A1 THR 169 HA -0.05 0.14 0.70 -0.75 4.39 4.43 1ze1A1 THR 169 HB 0.02 0.00 0.01 -0.04 4.32 4.31 1ze1A1 THR 169 HG23 0.02 -0.02 -0.26 -0.04 1.22 0.93 1ze1A1 TYR 170 H 0.18 0.21 0.07 -0.55 8.29 8.20 1ze1A1 TYR 170 HA -0.02 0.15 0.68 -0.75 4.56 4.61 1ze1A1 TYR 170 HB2 0.04 0.02 0.12 -0.04 3.06 3.19 1ze1A1 TYR 170 HB3 0.03 -0.14 0.05 -0.04 2.98 2.87 1ze1A1 TYR 170 HD2 0.02 -0.03 -0.03 -0.04 7.15 7.07 1ze1A1 TYR 170 HE2 0.01 0.05 -0.04 -0.04 6.85 6.83 1ze1A1 ILE 171 H -0.09 0.22 0.15 -0.55 8.25 7.99 1ze1A1 ILE 171 HA -0.06 0.14 0.40 -0.75 4.18 3.90 1ze1A1 ILE 171 HB -0.21 -0.02 0.05 -0.04 1.89 1.67 1ze1A1 ILE 171 HG12 -0.72 0.06 0.03 -0.04 1.49 0.81 1ze1A1 ILE 171 HG13 -1.19 0.01 -0.04 -0.04 1.21 -0.05 1ze1A1 ILE 171 HG23 -0.19 0.01 -0.08 -0.04 0.93 0.62 1ze1A1 ILE 171 HD13 -0.20 0.02 -0.17 -0.04 0.88 0.48 1ze1A1 ARG 172 H 0.11 0.08 -0.07 -0.55 8.46 8.03 1ze1A1 ARG 172 HA 0.06 0.06 0.41 -0.75 4.34 4.12 1ze1A1 ARG 172 HB2 0.15 -0.03 0.10 -0.04 1.90 2.08 1ze1A1 ARG 172 HB3 0.19 0.14 0.07 -0.04 1.80 2.16 1ze1A1 ARG 172 HG2 0.10 0.02 0.00 -0.04 1.67 1.75 1ze1A1 ARG 172 HG3 0.21 -0.12 0.05 -0.04 1.67 1.77 1ze1A1 ARG 172 HD2 0.00 0.33 -0.02 -0.04 3.22 3.49 1ze1A1 ARG 172 HD3 0.06 -0.09 -0.05 -0.04 3.22 3.09 1ze1A1 SER 173 H 0.18 0.04 -0.37 -0.55 8.46 7.76 1ze1A1 SER 173 HA 0.24 0.05 0.37 -0.75 4.49 4.39 1ze1A1 SER 173 HB2 0.20 0.05 0.07 -0.04 3.95 4.23 1ze1A1 SER 173 HB3 0.18 0.02 -0.04 -0.04 3.93 4.06 1ze1A1 LEU 174 H 0.07 0.33 -0.27 -0.55 8.37 7.96 1ze1A1 LEU 174 HA -0.06 0.06 0.32 -0.75 4.35 3.91 1ze1A1 LEU 174 HB2 0.06 0.02 0.02 -0.04 1.64 1.71 1ze1A1 LEU 174 HB3 -0.01 0.08 0.06 -0.04 1.64 1.73 1ze1A1 LEU 174 HG -0.14 -0.02 -0.28 -0.04 1.64 1.16 1ze1A1 LEU 174 HD13 -0.30 0.00 -0.04 -0.04 0.93 0.56 1ze1A1 LEU 174 HD23 0.07 -0.01 -0.13 -0.04 0.89 0.79 1ze1A1 CYS 175 H -0.05 0.44 -0.29 -0.55 8.50 8.05 1ze1A1 CYS 175 HA -0.10 0.04 0.33 -0.75 4.58 4.09 1ze1A1 CYS 175 HB2 -0.10 0.16 0.09 -0.04 2.97 3.08 1ze1A1 CYS 175 HB3 -0.11 -0.08 -0.23 -0.04 2.97 2.51 1ze1A1 MET 176 H -0.18 0.50 -0.02 -0.55 8.47 8.22 1ze1A1 MET 176 HA -0.27 -0.05 0.41 -0.75 4.52 3.87 1ze1A1 MET 176 HB2 -0.87 0.08 0.18 -0.04 2.15 1.50 1ze1A1 MET 176 HB3 -0.28 0.10 0.13 -0.04 2.03 1.94 1ze1A1 MET 176 HG2 -1.91 0.02 -0.01 -0.04 2.63 0.69 1ze1A1 MET 176 HG3 -0.90 -0.04 -0.10 -0.04 2.56 1.48 1ze1A1 MET 176 HE3 -0.70 -0.00 -0.03 -0.04 2.10 1.33 1ze1A1 ASP 177 H -0.08 0.67 -0.18 -0.55 8.40 8.27 1ze1A1 ASP 177 HA 0.10 -0.03 0.36 -0.75 4.63 4.30 1ze1A1 ASP 177 HB2 -0.34 0.12 0.07 -0.04 2.71 2.52 1ze1A1 ASP 177 HB3 0.11 0.02 -0.02 -0.04 2.70 2.76 1ze1A1 ILE 178 H -0.32 0.53 -0.25 -0.55 8.25 7.66 1ze1A1 ILE 178 HA 0.01 0.08 0.43 -0.75 4.18 3.94 1ze1A1 ILE 178 HB -0.19 0.12 0.12 -0.04 1.89 1.90 1ze1A1 ILE 178 HG12 -0.59 0.05 -0.05 -0.04 1.49 0.86 1ze1A1 ILE 178 HG13 -0.92 0.24 0.08 -0.04 1.21 0.58 1ze1A1 ILE 178 HG23 -0.09 -0.04 -0.23 -0.04 0.93 0.52 1ze1A1 ILE 178 HD13 -0.33 -0.06 -0.13 -0.04 0.88 0.32 1ze1A1 GLY 179 H -0.06 0.70 -0.17 -0.55 8.43 8.36 1ze1A1 GLY 179 HA2 -0.05 0.04 0.20 -0.51 4.01 3.69 1ze1A1 GLY 179 HA3 -0.05 -0.06 0.07 -0.51 4.01 3.46 1ze1A1 TYR 180 H 0.30 0.59 -0.21 -0.55 8.29 8.43 1ze1A1 TYR 180 HA -0.02 -0.11 0.63 -0.75 4.56 4.30 1ze1A1 TYR 180 HB2 0.13 0.18 0.10 -0.04 3.06 3.42 1ze1A1 TYR 180 HB3 0.11 0.01 0.00 -0.04 2.98 3.06 1ze1A1 TYR 180 HD2 0.02 0.14 -0.00 -0.04 7.15 7.27 1ze1A1 TYR 180 HE2 -0.22 -0.06 -0.03 -0.04 6.85 6.50 1ze1A1 LYS 181 H 0.16 0.39 -0.25 -0.55 8.42 8.17 1ze1A1 LYS 181 HA 0.08 0.04 0.41 -0.75 4.32 4.10 1ze1A1 LYS 181 HB2 0.22 0.09 0.15 -0.04 1.87 2.29 1ze1A1 LYS 181 HB3 0.12 0.12 0.17 -0.04 1.79 2.17 1ze1A1 LYS 181 HG2 0.07 -0.02 0.01 -0.04 1.46 1.48 1ze1A1 LYS 181 HG3 0.03 -0.03 -0.07 -0.04 1.46 1.35 1ze1A1 LYS 181 HD2 -0.01 -0.04 0.03 -0.04 1.69 1.63 1ze1A1 LYS 181 HD3 -0.07 0.04 0.00 -0.04 1.68 1.61 1ze1A1 LYS 181 HE2 -0.08 0.05 -0.01 -0.04 2.99 2.91 1ze1A1 LYS 181 HE3 -0.04 -0.05 -0.02 -0.04 2.99 2.83 1ze1A1 LEU 182 H 0.03 0.39 -0.22 -0.55 8.37 8.02 1ze1A1 LEU 182 HA -0.00 0.05 0.38 -0.75 4.35 4.02 1ze1A1 LEU 182 HB2 -0.04 0.04 -0.01 -0.04 1.64 1.60 1ze1A1 LEU 182 HB3 -0.03 -0.10 -0.07 -0.04 1.64 1.41 1ze1A1 LEU 182 HG -0.00 0.16 0.00 -0.04 1.64 1.76 1ze1A1 LEU 182 HD13 -0.04 -0.04 -0.12 -0.04 0.93 0.70 1ze1A1 LEU 182 HD23 -0.01 -0.01 -0.16 -0.04 0.89 0.67 1ze1A1 GLY 183 H -0.04 0.03 -0.57 -0.55 8.43 7.31 1ze1A1 GLY 183 HA2 -0.10 0.04 0.29 -0.51 4.01 3.73 1ze1A1 GLY 183 HA3 -0.06 0.12 0.57 -0.51 4.01 4.13 1ze1A1 CYS 184 H -0.19 0.40 0.19 -0.55 8.50 8.35 1ze1A1 CYS 184 HA -0.19 0.08 0.51 -0.75 4.58 4.22 1ze1A1 CYS 184 HB2 -0.10 -0.08 -0.11 -0.04 2.97 2.64 1ze1A1 CYS 184 HB3 -0.09 0.17 -0.41 -0.04 2.97 2.60 1ze1A1 GLY 185 H -0.39 0.13 -0.09 -0.55 8.43 7.53 1ze1A1 GLY 185 HA2 -0.27 0.02 0.20 -0.51 4.01 3.45 1ze1A1 GLY 185 HA3 -0.34 0.08 0.19 -0.51 4.01 3.43 1ze1A1 ALA 186 H -0.20 0.26 0.21 -0.55 8.40 8.13 1ze1A1 ALA 186 HA -0.13 0.27 0.78 -0.75 4.34 4.51 1ze1A1 ALA 186 HB3 -0.11 -0.00 -0.25 -0.04 1.41 1.00 1ze1A1 THR 187 H -0.11 0.41 0.26 -0.55 8.28 8.29 1ze1A1 THR 187 HA -0.14 0.21 0.90 -0.75 4.39 4.60 1ze1A1 THR 187 HB -0.09 0.02 -0.10 -0.04 4.32 4.12 1ze1A1 THR 187 HG23 -0.08 0.01 -0.61 -0.04 1.22 0.50 1ze1A1 ALA 188 H -0.07 0.66 0.33 -0.55 8.40 8.77 1ze1A1 ALA 188 HA -0.06 0.12 0.70 -0.75 4.34 4.34 1ze1A1 ALA 188 HB3 0.04 0.00 0.12 -0.04 1.41 1.53 1ze1A1 VAL 189 H -0.02 0.87 0.58 -0.55 8.24 9.12 1ze1A1 VAL 189 HA 0.01 0.01 0.99 -0.75 4.13 4.38 1ze1A1 VAL 189 HB -0.00 0.07 -0.00 -0.04 2.12 2.14 1ze1A1 VAL 189 HG13 0.03 -0.00 0.04 -0.04 0.97 0.99 1ze1A1 VAL 189 HG23 -0.03 0.01 -0.11 -0.04 0.95 0.77 1ze1A1 GLU 190 H 0.06 0.24 0.33 -0.55 8.60 8.68 1ze1A1 GLU 190 HA 0.18 0.18 0.73 -0.75 4.29 4.62 1ze1A1 GLU 190 HB2 0.13 0.03 -0.28 -0.04 2.09 1.93 1ze1A1 GLU 190 HB3 0.13 -0.06 0.03 -0.04 1.99 2.05 1ze1A1 GLU 190 HG2 0.35 -0.01 -0.08 -0.04 2.34 2.56 1ze1A1 GLU 190 HG3 0.16 0.06 0.12 -0.04 2.34 2.65 1ze1A1 LEU 191 H 0.01 0.34 0.18 -0.55 8.37 8.35 1ze1A1 LEU 191 HA 0.02 0.24 0.93 -0.75 4.35 4.79 1ze1A1 LEU 191 HB2 -0.02 -0.03 -0.26 -0.04 1.64 1.29 1ze1A1 LEU 191 HB3 -0.47 -0.02 0.03 -0.04 1.64 1.13 1ze1A1 LEU 191 HG 0.01 0.04 -0.19 -0.04 1.64 1.46 1ze1A1 LEU 191 HD13 -0.10 0.02 -0.02 -0.04 0.93 0.79 1ze1A1 LEU 191 HD23 -0.15 -0.03 -0.06 -0.04 0.89 0.62 1ze1A1 VAL 192 H 0.21 0.52 0.33 -0.55 8.24 8.75 1ze1A1 VAL 192 HA 0.08 0.42 1.17 -0.75 4.13 5.05 1ze1A1 VAL 192 HB 0.25 -0.04 0.17 -0.04 2.12 2.46 1ze1A1 VAL 192 HG13 0.09 -0.00 -0.22 -0.04 0.97 0.80 1ze1A1 VAL 192 HG23 0.15 -0.01 -0.17 -0.04 0.95 0.88 1ze1A1 ARG 193 H 0.05 0.66 0.38 -0.55 8.46 9.00 1ze1A1 ARG 193 HA -0.22 0.11 0.96 -0.75 4.34 4.44 1ze1A1 ARG 193 HB2 -0.11 -0.03 0.08 -0.04 1.90 1.81 1ze1A1 ARG 193 HB3 -0.08 -0.06 0.22 -0.04 1.80 1.85 1ze1A1 ARG 193 HG2 -0.20 -0.07 -0.10 -0.04 1.67 1.27 1ze1A1 ARG 193 HG3 -0.69 0.08 0.08 -0.04 1.67 1.10 1ze1A1 ARG 193 HD2 -0.30 0.03 0.01 -0.04 3.22 2.92 1ze1A1 ARG 193 HD3 -0.51 -0.08 -0.01 -0.04 3.22 2.58 1ze1A1 GLU 194 H -0.01 0.39 0.40 -0.55 8.60 8.84 1ze1A1 GLU 194 HA 0.05 0.02 0.61 -0.75 4.29 4.21 1ze1A1 GLU 194 HB2 0.09 0.06 0.04 -0.04 2.09 2.23 1ze1A1 GLU 194 HB3 0.07 -0.06 0.09 -0.04 1.99 2.04 1ze1A1 GLU 194 HG2 0.07 -0.03 -0.08 -0.04 2.34 2.25 1ze1A1 GLU 194 HG3 0.14 0.05 0.01 -0.04 2.34 2.50 1ze1A1 SER 195 H -0.06 0.36 0.17 -0.55 8.46 8.39 1ze1A1 SER 195 HA 0.03 0.20 0.58 -0.75 4.49 4.55 1ze1A1 SER 195 HB2 0.03 0.20 -0.17 -0.04 3.95 3.97 1ze1A1 SER 195 HB3 0.05 -0.00 -0.19 -0.04 3.93 3.75 1ze1A1 VAL 196 H 0.07 0.71 0.14 -0.55 8.24 8.61 1ze1A1 VAL 196 HA 0.01 0.23 0.91 -0.75 4.13 4.53 1ze1A1 VAL 196 HB 0.14 -0.08 0.13 -0.04 2.12 2.27 1ze1A1 VAL 196 HG13 0.13 0.00 -0.05 -0.04 0.97 1.00 1ze1A1 VAL 196 HG23 0.01 -0.02 -0.16 -0.04 0.95 0.74 1ze1A1 GLY 197 H -0.03 0.62 0.18 -0.55 8.43 8.65 1ze1A1 GLY 197 HA2 -0.20 -0.03 0.38 -0.51 4.01 3.65 1ze1A1 GLY 197 HA3 -0.18 0.06 0.51 -0.51 4.01 3.88 1ze1A1 PRO 198 HA -0.10 0.10 0.52 -0.51 4.44 4.45 1ze1A1 PRO 198 HB2 -0.13 0.03 0.09 -0.04 2.28 2.23 1ze1A1 PRO 198 HB3 -0.13 -0.00 0.08 -0.04 2.02 1.93 1ze1A1 PRO 198 HG2 -0.65 0.06 0.00 -0.04 2.03 1.40 1ze1A1 PRO 198 HG3 -0.06 0.00 0.07 -0.04 2.03 2.00 1ze1A1 PRO 198 HD2 -0.24 0.14 0.30 -0.04 3.68 3.84 1ze1A1 PRO 198 HD3 -0.47 0.06 0.20 -0.04 3.65 3.41 1ze1A1 HIS 199 H -0.04 0.46 -0.16 -0.55 8.41 8.13 1ze1A1 HIS 199 HA 0.06 0.06 0.72 -0.75 4.63 4.71 1ze1A1 HIS 199 HB2 0.10 0.11 0.19 -0.04 3.26 3.62 1ze1A1 HIS 199 HB3 0.07 -0.01 -0.00 -0.04 3.20 3.22 1ze1A1 HIS 199 HD2 0.37 0.04 0.05 -0.04 6.97 7.39 1ze1A1 HIS 199 HE1 0.17 0.06 -0.02 -0.04 7.75 7.92 1ze1A1 THR 200 H 0.11 0.16 0.23 -0.55 8.28 8.22 1ze1A1 THR 200 HA 0.07 0.31 0.97 -0.75 4.39 4.98 1ze1A1 THR 200 HB 0.04 -0.06 0.18 -0.04 4.32 4.44 1ze1A1 THR 200 HG23 0.03 0.08 -0.04 -0.04 1.22 1.25 1ze1A1 ILE 201 H 0.05 0.59 0.35 -0.55 8.25 8.70 1ze1A1 ILE 201 HA 0.09 0.07 0.40 -0.75 4.18 3.99 1ze1A1 ILE 201 HB 0.08 0.11 0.22 -0.04 1.89 2.26 1ze1A1 ILE 201 HG12 0.00 0.03 -0.18 -0.04 1.49 1.30 1ze1A1 ILE 201 HG13 0.22 -0.02 -0.01 -0.04 1.21 1.35 1ze1A1 ILE 201 HG23 0.03 0.02 0.07 -0.04 0.93 1.01 1ze1A1 ILE 201 HD13 0.16 0.00 -0.08 -0.04 0.88 0.93 1ze1A1 GLU 202 H 0.02 0.07 -0.11 -0.55 8.60 8.03 1ze1A1 GLU 202 HA -0.02 0.09 0.38 -0.75 4.29 3.98 1ze1A1 GLU 202 HB2 0.01 -0.02 0.01 -0.04 2.09 2.05 1ze1A1 GLU 202 HB3 -0.00 0.05 0.03 -0.04 1.99 2.03 1ze1A1 GLU 202 HG2 -0.00 0.03 0.02 -0.04 2.34 2.34 1ze1A1 GLU 202 HG3 -0.01 0.01 0.01 -0.04 2.34 2.31 1ze1A1 GLU 203 H 0.04 0.01 -0.53 -0.55 8.60 7.58 1ze1A1 GLU 203 HA 0.03 0.09 0.53 -0.75 4.29 4.18 1ze1A1 GLU 203 HB2 0.06 -0.10 0.08 -0.04 2.09 2.09 1ze1A1 GLU 203 HB3 0.08 0.20 0.13 -0.04 1.99 2.35 1ze1A1 GLU 203 HG2 0.06 0.07 -0.05 -0.04 2.34 2.38 1ze1A1 GLU 203 HG3 0.07 -0.01 0.07 -0.04 2.34 2.42 1ze1A1 SER 204 H 0.05 0.05 -0.34 -0.55 8.46 7.67 1ze1A1 SER 204 HA 0.04 0.19 0.27 -0.75 4.49 4.23 1ze1A1 SER 204 HB2 0.13 -0.12 -0.47 -0.04 3.95 3.45 1ze1A1 SER 204 HB3 0.10 -0.06 -0.13 -0.04 3.93 3.79 1ze1A1 LEU 205 H 0.05 0.29 0.32 -0.55 8.37 8.48 1ze1A1 LEU 205 HA 0.02 0.17 0.82 -0.75 4.35 4.60 1ze1A1 LEU 205 HB2 0.00 0.16 -0.09 -0.04 1.64 1.67 1ze1A1 LEU 205 HB3 -0.00 0.05 0.04 -0.04 1.64 1.69 1ze1A1 LEU 205 HG -0.00 -0.15 -0.53 -0.04 1.64 0.92 1ze1A1 LEU 205 HD13 -0.00 -0.03 -0.09 -0.04 0.93 0.77 1ze1A1 LEU 205 HD23 -0.02 0.00 -0.21 -0.04 0.89 0.63 1ze1A1 ASN 206 H 0.04 0.24 0.05 -0.55 8.53 8.31 1ze1A1 ASN 206 HA 0.18 0.24 0.86 -0.75 4.76 5.28 1ze1A1 ASN 206 HB2 0.16 0.08 0.07 -0.04 2.88 3.14 1ze1A1 ASN 206 HB3 0.09 0.02 0.19 -0.04 2.79 3.05 1ze1A1 ASN 206 HD21 0.31 0.01 0.02 -0.04 7.03 7.32 1ze1A1 ASN 206 HD22 0.37 0.04 -0.01 -0.04 7.74 8.09 1ze1A1 VAL 207 H -0.07 0.30 0.13 -0.55 8.24 8.06 1ze1A1 VAL 207 HA -0.07 0.06 0.20 -0.75 4.13 3.56 1ze1A1 VAL 207 HB -0.21 0.04 -0.05 -0.04 2.12 1.86 1ze1A1 VAL 207 HG13 -0.11 0.03 -0.02 -0.04 0.97 0.83 1ze1A1 VAL 207 HG23 -0.56 0.03 0.01 -0.04 0.95 0.38 1ze1A1 PHE 208 H -0.12 0.06 -0.32 -0.55 8.34 7.40 1ze1A1 PHE 208 HA 0.01 0.08 0.41 -0.75 4.62 4.37 1ze1A1 PHE 208 HB2 0.03 -0.03 0.05 -0.04 3.15 3.16 1ze1A1 PHE 208 HB3 0.02 0.03 -0.00 -0.04 3.06 3.07 1ze1A1 PHE 208 HD2 0.02 0.03 0.04 -0.04 7.28 7.33 1ze1A1 PHE 208 HE2 -0.01 0.04 -0.01 -0.04 7.38 7.35 1ze1A1 PHE 208 HZ -0.01 -0.07 -0.23 -0.04 7.32 6.97 1ze1A1 GLU 209 H 0.15 0.23 -0.17 -0.55 8.60 8.26 1ze1A1 GLU 209 HA 0.08 0.18 0.75 -0.75 4.29 4.55 1ze1A1 GLU 209 HB2 0.07 0.02 0.07 -0.04 2.09 2.21 1ze1A1 GLU 209 HB3 0.05 -0.02 0.16 -0.04 1.99 2.14 1ze1A1 GLU 209 HG2 0.08 0.04 -0.07 -0.04 2.34 2.34 1ze1A1 GLU 209 HG3 0.14 -0.09 -0.06 -0.04 2.34 2.29 1ze1A1 ALA 210 H 0.02 0.32 -0.47 -0.55 8.40 7.72 1ze1A1 ALA 210 HA 0.01 0.09 0.83 -0.75 4.34 4.51 1ze1A1 ALA 210 HB3 -0.01 -0.01 -0.12 -0.04 1.41 1.22 1ze1A1 ALA 211 H -0.00 0.08 0.14 -0.55 8.40 8.08 1ze1A1 ALA 211 HA -0.00 0.23 0.53 -0.75 4.34 4.35 1ze1A1 ALA 211 HB3 -0.00 -0.01 0.11 -0.04 1.41 1.47 1ze1A1 PRO 212 HA -0.02 0.07 0.32 -0.51 4.44 4.29 1ze1A1 PRO 212 HB2 -0.01 -0.06 0.11 -0.04 2.28 2.27 1ze1A1 PRO 212 HB3 -0.02 0.24 0.07 -0.04 2.02 2.28 1ze1A1 PRO 212 HG2 -0.01 0.06 0.13 -0.04 2.03 2.17 1ze1A1 PRO 212 HG3 -0.01 0.09 0.15 -0.04 2.03 2.21 1ze1A1 PRO 212 HD2 -0.00 0.04 0.21 -0.04 3.68 3.88 1ze1A1 PRO 212 HD3 -0.00 0.21 0.26 -0.04 3.65 4.07 1ze1A1 GLU 213 H -0.01 0.11 -0.20 -0.55 8.60 7.95 1ze1A1 GLU 213 HA -0.02 0.07 0.31 -0.75 4.29 3.90 1ze1A1 GLU 213 HB2 -0.01 -0.02 -0.00 -0.04 2.09 2.02 1ze1A1 GLU 213 HB3 -0.01 0.05 0.02 -0.04 1.99 2.00 1ze1A1 GLU 213 HG2 -0.01 0.04 0.02 -0.04 2.34 2.35 1ze1A1 GLU 213 HG3 -0.01 0.03 0.03 -0.04 2.34 2.35 1ze1A1 GLU 214 H -0.01 0.05 -0.31 -0.55 8.60 7.79 1ze1A1 GLU 214 HA -0.01 0.04 0.31 -0.75 4.29 3.88 1ze1A1 GLU 214 HB2 -0.01 -0.07 0.09 -0.04 2.09 2.06 1ze1A1 GLU 214 HB3 -0.01 0.22 0.14 -0.04 1.99 2.29 1ze1A1 GLU 214 HG2 -0.01 -0.08 -0.06 -0.04 2.34 2.15 1ze1A1 GLU 214 HG3 -0.01 0.07 -0.42 -0.04 2.34 1.93 1ze1A1 ILE 215 H -0.02 0.42 -0.22 -0.55 8.25 7.87 1ze1A1 ILE 215 HA -0.03 0.00 0.21 -0.75 4.18 3.61 1ze1A1 ILE 215 HB -0.04 0.08 0.02 -0.04 1.89 1.91 1ze1A1 ILE 215 HG12 -0.05 -0.09 -0.13 -0.04 1.49 1.19 1ze1A1 ILE 215 HG13 -0.03 0.06 -0.24 -0.04 1.21 0.96 1ze1A1 ILE 215 HG23 -0.06 -0.02 -0.19 -0.04 0.93 0.62 1ze1A1 ILE 215 HD13 -0.06 0.03 -0.10 -0.04 0.88 0.71 1ze1A1 GLU 216 H -0.03 0.60 -0.08 -0.55 8.60 8.54 1ze1A1 GLU 216 HA -0.04 -0.03 0.38 -0.75 4.29 3.85 1ze1A1 GLU 216 HB2 -0.03 -0.01 0.08 -0.04 2.09 2.08 1ze1A1 GLU 216 HB3 -0.03 0.06 0.14 -0.04 1.99 2.13 1ze1A1 GLU 216 HG2 -0.03 0.04 -0.28 -0.04 2.34 2.03 1ze1A1 GLU 216 HG3 -0.04 -0.07 -0.03 -0.04 2.34 2.16 1ze1A1 ASN 217 H -0.02 0.72 -0.04 -0.55 8.53 8.65 1ze1A1 ASN 217 HA -0.02 -0.03 0.33 -0.75 4.76 4.29 1ze1A1 ASN 217 HB2 -0.01 0.08 0.14 -0.04 2.88 3.05 1ze1A1 ASN 217 HB3 -0.01 0.03 0.03 -0.04 2.79 2.80 1ze1A1 ASN 217 HD21 -0.01 -0.06 0.05 -0.04 7.03 6.97 1ze1A1 ASN 217 HD22 -0.01 0.03 0.03 -0.04 7.74 7.76 1ze1A1 ARG 218 H -0.02 0.28 -1.24 -0.55 8.46 6.93 1ze1A1 ARG 218 HA -0.01 0.16 0.95 -0.75 4.34 4.68 1ze1A1 ARG 218 HB2 -0.02 0.22 -0.07 -0.04 1.90 1.99 1ze1A1 ARG 218 HB3 -0.02 -0.01 0.02 -0.04 1.80 1.74 1ze1A1 ARG 218 HG2 -0.01 -0.09 -0.04 -0.04 1.67 1.49 1ze1A1 ARG 218 HG3 -0.01 -0.07 0.13 -0.04 1.67 1.68 1ze1A1 ARG 218 HD2 -0.01 0.13 0.06 -0.04 3.22 3.37 1ze1A1 ARG 218 HD3 -0.00 -0.07 -0.04 -0.04 3.22 3.06 1ze1A1 ILE 219 H -0.03 0.47 0.05 -0.55 8.25 8.19 1ze1A1 ILE 219 HA -0.05 0.03 0.51 -0.75 4.18 3.92 1ze1A1 ILE 219 HB -0.04 0.00 -0.06 -0.04 1.89 1.75 1ze1A1 ILE 219 HG12 -0.06 -0.06 -0.14 -0.04 1.49 1.19 1ze1A1 ILE 219 HG13 -0.04 0.26 0.15 -0.04 1.21 1.53 1ze1A1 ILE 219 HG23 -0.06 -0.02 -0.46 -0.04 0.93 0.35 1ze1A1 ILE 219 HD13 -0.06 -0.05 -0.14 -0.04 0.88 0.59 1ze1A1 ILE 220 H -0.05 0.75 0.35 -0.55 8.25 8.75 1ze1A1 ILE 220 HA -0.00 0.18 0.68 -0.75 4.18 4.29 1ze1A1 ILE 220 HB -0.03 -0.19 0.25 -0.04 1.89 1.89 1ze1A1 ILE 220 HG12 0.03 0.04 0.01 -0.04 1.49 1.53 1ze1A1 ILE 220 HG13 -0.03 0.10 0.15 -0.04 1.21 1.39 1ze1A1 ILE 220 HG23 0.05 0.03 -0.15 -0.04 0.93 0.82 1ze1A1 ILE 220 HD13 0.01 -0.04 -0.02 -0.04 0.88 0.80 1ze1A1 PRO 221 HA -0.03 0.36 0.65 -0.51 4.44 4.91 1ze1A1 PRO 221 HB2 -0.01 -0.11 0.11 -0.04 2.28 2.23 1ze1A1 PRO 221 HB3 -0.01 0.08 0.17 -0.04 2.02 2.22 1ze1A1 PRO 221 HG2 0.00 -0.08 0.08 -0.04 2.03 1.99 1ze1A1 PRO 221 HG3 0.00 0.08 0.10 -0.04 2.03 2.17 1ze1A1 PRO 221 HD2 0.00 0.07 0.28 -0.04 3.68 3.99 1ze1A1 PRO 221 HD3 -0.01 0.35 0.25 -0.04 3.65 4.20 1ze1A1 LEU 222 H -0.08 0.30 0.23 -0.55 8.37 8.27 1ze1A1 LEU 222 HA -0.17 0.03 0.35 -0.75 4.35 3.80 1ze1A1 LEU 222 HB2 -0.25 -0.02 0.15 -0.04 1.64 1.47 1ze1A1 LEU 222 HB3 -0.50 0.07 -0.05 -0.04 1.64 1.12 1ze1A1 LEU 222 HG -0.18 -0.03 -0.17 -0.04 1.64 1.21 1ze1A1 LEU 222 HD13 -0.57 0.01 -0.09 -0.04 0.93 0.23 1ze1A1 LEU 222 HD23 -0.51 0.01 -0.12 -0.04 0.89 0.23 1ze1A1 GLU 223 H -0.06 0.04 -0.24 -0.55 8.60 7.80 1ze1A1 GLU 223 HA 0.07 0.04 0.36 -0.75 4.29 4.00 1ze1A1 GLU 223 HB2 0.04 -0.03 0.01 -0.04 2.09 2.07 1ze1A1 GLU 223 HB3 0.16 0.10 0.06 -0.04 1.99 2.27 1ze1A1 GLU 223 HG2 0.07 0.11 0.10 -0.04 2.34 2.58 1ze1A1 GLU 223 HG3 0.11 -0.08 0.20 -0.04 2.34 2.52 1ze1A1 LYS 224 H 0.00 0.55 -0.41 -0.55 8.42 8.00 1ze1A1 LYS 224 HA 0.04 0.19 0.82 -0.75 4.32 4.62 1ze1A1 LYS 224 HB2 0.03 0.05 -0.03 -0.04 1.87 1.88 1ze1A1 LYS 224 HB3 0.05 -0.06 0.10 -0.04 1.79 1.83 1ze1A1 LYS 224 HG2 0.02 -0.11 -0.20 -0.04 1.46 1.14 1ze1A1 LYS 224 HG3 0.02 -0.00 0.01 -0.04 1.46 1.45 1ze1A1 LYS 224 HD2 0.03 -0.02 0.02 -0.04 1.69 1.67 1ze1A1 LYS 224 HD3 0.02 0.07 -0.04 -0.04 1.68 1.68 1ze1A1 LYS 224 HE2 0.01 -0.02 -0.04 -0.04 2.99 2.91 1ze1A1 LYS 224 HE3 0.01 0.00 0.00 -0.04 2.99 2.96 1ze1A1 CYS 225 H -0.04 0.32 -0.14 -0.55 8.50 8.10 1ze1A1 CYS 225 HA 0.10 0.01 0.59 -0.75 4.58 4.53 1ze1A1 CYS 225 HB2 -0.09 0.12 0.05 -0.04 2.97 3.01 1ze1A1 CYS 225 HB3 0.10 -0.10 0.02 -0.04 2.97 2.95 1ze1A1 LEU 226 H -0.12 0.03 0.12 -0.55 8.37 7.86 1ze1A1 LEU 226 HA -1.95 -0.10 0.29 -0.75 4.35 1.84 1ze1A1 LEU 226 HB2 -0.50 0.29 -0.06 -0.04 1.64 1.34 1ze1A1 LEU 226 HB3 -0.96 0.01 0.09 -0.04 1.64 0.74 1ze1A1 LEU 226 HG -0.31 -0.10 -0.26 -0.04 1.64 0.94 1ze1A1 LEU 226 HD13 -0.64 0.00 -0.11 -0.04 0.93 0.14 1ze1A1 LEU 226 HD23 -0.65 -0.01 -0.02 -0.04 0.89 0.16 1ze1A1 GLU 227 H -0.17 -0.04 -0.13 -0.55 8.60 7.71 1ze1A1 GLU 227 HA -0.06 0.15 0.21 -0.75 4.29 3.84 1ze1A1 GLU 227 HB2 0.15 -0.02 0.10 -0.04 2.09 2.28 1ze1A1 GLU 227 HB3 0.27 -0.10 -0.01 -0.04 1.99 2.11 1ze1A1 GLU 227 HG2 0.09 -0.08 0.01 -0.04 2.34 2.31 1ze1A1 GLU 227 HG3 0.07 -0.00 0.00 -0.04 2.34 2.37 1ze1A1 TRP 228 H 0.28 -0.16 -0.31 -0.55 7.97 7.24 1ze1A1 TRP 228 HA 0.00 0.04 0.44 -0.75 4.62 4.34 1ze1A1 TRP 228 HB2 -0.00 -0.10 0.15 -0.04 3.23 3.24 1ze1A1 TRP 228 HB3 -0.02 -0.04 0.07 -0.04 3.23 3.20 1ze1A1 TRP 228 HD1 0.02 -0.03 -0.03 -0.04 7.22 7.14 1ze1A1 TRP 228 HE1 0.04 0.01 -0.04 -0.04 10.20 10.17 1ze1A1 TRP 228 HE3 -0.05 -0.00 0.01 -0.04 7.59 7.50 1ze1A1 TRP 228 HZ2 -0.22 0.06 -0.10 -0.04 7.44 7.14 1ze1A1 TRP 228 HZ3 -0.04 0.00 0.06 -0.04 7.13 7.12 1ze1A1 TRP 228 HH2 -0.51 -0.00 0.00 -0.04 7.19 6.64 1ze1A1 LEU 229 H 0.26 -0.04 0.08 -0.55 8.37 8.12 1ze1A1 LEU 229 HA 0.07 -0.06 0.48 -0.75 4.35 4.09 1ze1A1 LEU 229 HB2 -0.37 0.57 0.24 -0.04 1.64 2.03 1ze1A1 LEU 229 HB3 -0.14 0.05 0.08 -0.04 1.64 1.60 1ze1A1 LEU 229 HG -0.53 -0.17 -0.23 -0.04 1.64 0.66 1ze1A1 LEU 229 HD13 -0.53 0.00 -0.08 -0.04 0.93 0.29 1ze1A1 LEU 229 HD23 0.14 0.01 0.05 -0.04 0.89 1.05 1ze1A1 PRO 230 HA 0.08 0.06 0.39 -0.51 4.44 4.46 1ze1A1 PRO 230 HB2 0.06 -0.09 -0.12 -0.04 2.28 2.09 1ze1A1 PRO 230 HB3 0.21 0.08 -0.12 -0.04 2.02 2.15 1ze1A1 PRO 230 HG2 0.18 -0.08 0.11 -0.04 2.03 2.20 1ze1A1 PRO 230 HG3 0.14 0.07 0.14 -0.04 2.03 2.35 1ze1A1 PRO 230 HD2 0.05 0.29 0.24 -0.04 3.68 4.22 1ze1A1 PRO 230 HD3 0.10 -0.03 0.29 -0.04 3.65 3.97 1ze1A1 ARG 231 H 0.08 0.17 0.17 -0.55 8.46 8.33 1ze1A1 ARG 231 HA 0.08 0.21 1.05 -0.75 4.34 4.92 1ze1A1 ARG 231 HB2 0.19 -0.01 0.02 -0.04 1.90 2.06 1ze1A1 ARG 231 HB3 0.11 0.17 -0.01 -0.04 1.80 2.03 1ze1A1 ARG 231 HG2 0.03 -0.08 0.17 -0.04 1.67 1.75 1ze1A1 ARG 231 HG3 -0.00 -0.03 -0.07 -0.04 1.67 1.53 1ze1A1 ARG 231 HD2 -0.06 0.13 0.01 -0.04 3.22 3.26 1ze1A1 ARG 231 HD3 -0.08 -0.07 0.01 -0.04 3.22 3.04 1ze1A1 VAL 232 H 0.04 0.65 0.30 -0.55 8.24 8.69 1ze1A1 VAL 232 HA 0.05 0.37 0.96 -0.75 4.13 4.75 1ze1A1 VAL 232 HB -0.15 -0.04 0.02 -0.04 2.12 1.91 1ze1A1 VAL 232 HG13 -0.17 -0.03 -0.28 -0.04 0.97 0.44 1ze1A1 VAL 232 HG23 -0.13 0.01 -0.20 -0.04 0.95 0.58 1ze1A1 VAL 233 H -0.01 0.45 0.34 -0.55 8.24 8.47 1ze1A1 VAL 233 HA 0.05 0.34 1.09 -0.75 4.13 4.86 1ze1A1 VAL 233 HB 0.05 0.06 -0.16 -0.04 2.12 2.02 1ze1A1 VAL 233 HG13 0.01 -0.01 -0.06 -0.04 0.97 0.87 1ze1A1 VAL 233 HG23 -0.02 -0.03 -0.38 -0.04 0.95 0.48 1ze1A1 VAL 234 H -0.02 0.71 0.28 -0.55 8.24 8.66 1ze1A1 VAL 234 HA -0.16 0.08 0.94 -0.75 4.13 4.23 1ze1A1 VAL 234 HB -0.02 0.12 0.03 -0.04 2.12 2.21 1ze1A1 VAL 234 HG13 -0.07 -0.01 -0.21 -0.04 0.97 0.64 1ze1A1 VAL 234 HG23 -0.01 0.07 -0.16 -0.04 0.95 0.81 1ze1A1 HIS 235 H -0.20 0.48 0.13 -0.55 8.41 8.28 1ze1A1 HIS 235 HA 0.02 0.01 0.40 -0.75 4.63 4.30 1ze1A1 HIS 235 HB2 0.00 0.00 0.10 -0.04 3.26 3.33 1ze1A1 HIS 235 HB3 0.01 -0.10 0.05 -0.04 3.20 3.12 1ze1A1 HIS 235 HD2 0.01 0.10 -0.05 -0.04 6.97 6.99 1ze1A1 HIS 235 HE1 0.05 -0.01 0.02 -0.04 7.75 7.77 1ze1A1 GLN 236 H 0.09 0.16 0.24 -0.55 8.47 8.41 1ze1A1 GLN 236 HA 0.04 -0.01 0.46 -0.75 4.36 4.09 1ze1A1 GLN 236 HB2 0.05 0.02 0.22 -0.04 2.15 2.40 1ze1A1 GLN 236 HB3 0.03 0.08 -0.03 -0.04 2.02 2.07 1ze1A1 GLN 236 HG2 0.04 -0.08 0.16 -0.04 2.40 2.47 1ze1A1 GLN 236 HG3 0.03 0.11 0.05 -0.04 2.39 2.54 1ze1A1 GLN 236 HE21 0.02 0.04 0.04 -0.04 6.97 7.03 1ze1A1 GLN 236 HE22 0.02 0.06 -0.01 -0.04 7.69 7.72 1ze1A1 GLU 237 H 0.06 0.09 -0.17 -0.55 8.60 8.04 1ze1A1 GLU 237 HA 0.02 0.04 0.36 -0.75 4.29 3.96 1ze1A1 GLU 237 HB2 0.02 -0.01 0.09 -0.04 2.09 2.15 1ze1A1 GLU 237 HB3 0.03 0.03 -0.02 -0.04 1.99 1.99 1ze1A1 GLU 237 HG2 0.00 0.02 -0.12 -0.04 2.34 2.20 1ze1A1 GLU 237 HG3 0.00 -0.01 0.07 -0.04 2.34 2.36 1ze1A1 SER 238 H 0.05 0.57 -0.50 -0.55 8.46 8.04 1ze1A1 SER 238 HA 0.01 0.06 0.59 -0.75 4.49 4.39 1ze1A1 SER 238 HB2 0.03 0.19 -0.01 -0.04 3.95 4.13 1ze1A1 SER 238 HB3 0.01 -0.02 0.08 -0.04 3.93 3.96 1ze1A1 THR 239 H 0.01 0.60 -0.21 -0.55 8.28 8.14 1ze1A1 THR 239 HA -0.00 0.07 0.37 -0.75 4.39 4.08 1ze1A1 THR 239 HB 0.01 -0.02 0.15 -0.04 4.32 4.42 1ze1A1 THR 239 HG23 -0.00 -0.00 -0.14 -0.04 1.22 1.04 1ze1A1 LYS 240 H -0.00 0.16 -0.07 -0.55 8.42 7.95 1ze1A1 LYS 240 HA -0.01 0.09 0.33 -0.75 4.32 3.97 1ze1A1 LYS 240 HB2 -0.01 0.00 0.08 -0.04 1.87 1.91 1ze1A1 LYS 240 HB3 -0.01 -0.01 0.10 -0.04 1.79 1.83 1ze1A1 LYS 240 HG2 -0.01 0.01 -0.25 -0.04 1.46 1.16 1ze1A1 LYS 240 HG3 -0.01 0.01 -0.06 -0.04 1.46 1.36 1ze1A1 LYS 240 HD2 -0.01 0.01 -0.04 -0.04 1.69 1.61 1ze1A1 LYS 240 HD3 -0.01 -0.00 -0.01 -0.04 1.68 1.62 1ze1A1 LYS 240 HE2 -0.01 -0.00 -0.00 -0.04 2.99 2.94 1ze1A1 LYS 240 HE3 -0.01 -0.00 -0.04 -0.04 2.99 2.90 1ze1A1 MET 241 H -0.01 0.11 -0.17 -0.55 8.47 7.85 1ze1A1 MET 241 HA -0.02 -0.00 0.26 -0.75 4.52 4.00 1ze1A1 MET 241 HB2 -0.03 -0.02 -0.01 -0.04 2.15 2.05 1ze1A1 MET 241 HB3 -0.02 -0.06 0.04 -0.04 2.03 1.96 1ze1A1 MET 241 HG2 -0.02 -0.04 -0.02 -0.04 2.63 2.51 1ze1A1 MET 241 HG3 -0.02 0.17 -0.26 -0.04 2.56 2.40 1ze1A1 MET 241 HE3 -0.01 -0.01 -0.03 -0.04 2.10 2.00 1ze1A1 ILE 242 H -0.02 0.23 -0.51 -0.55 8.25 7.40 1ze1A1 ILE 242 HA -0.03 0.28 0.52 -0.75 4.18 4.20 1ze1A1 ILE 242 HB -0.03 0.07 0.12 -0.04 1.89 2.01 1ze1A1 ILE 242 HG12 -0.03 0.02 -0.09 -0.04 1.49 1.35 1ze1A1 ILE 242 HG13 -0.02 0.03 -0.02 -0.04 1.21 1.17 1ze1A1 ILE 242 HG23 -0.05 -0.02 -0.21 -0.04 0.93 0.60 1ze1A1 ILE 242 HD13 -0.03 -0.06 -0.14 -0.04 0.88 0.61 1ze1A1 LEU 243 H -0.02 0.40 0.02 -0.55 8.37 8.21 1ze1A1 LEU 243 HA -0.04 -0.04 0.39 -0.75 4.35 3.90 1ze1A1 LEU 243 HB2 -0.02 0.09 0.18 -0.04 1.64 1.85 1ze1A1 LEU 243 HB3 -0.02 -0.07 -0.03 -0.04 1.64 1.48 1ze1A1 LEU 243 HG -0.02 -0.09 0.00 -0.04 1.64 1.50 1ze1A1 LEU 243 HD13 -0.02 0.01 0.01 -0.04 0.93 0.89 1ze1A1 LEU 243 HD23 -0.01 -0.02 -0.06 -0.04 0.89 0.76 1ze1A1 ASN 244 H -0.03 0.18 -0.65 -0.55 8.53 7.48 1ze1A1 ASN 244 HA -0.03 0.02 0.63 -0.75 4.76 4.63 1ze1A1 ASN 244 HB2 -0.02 0.11 0.03 -0.04 2.88 2.96 1ze1A1 ASN 244 HB3 -0.02 -0.18 0.15 -0.04 2.79 2.70 1ze1A1 ASN 244 HD21 -0.01 -0.09 -0.13 -0.04 7.03 6.75 1ze1A1 ASN 244 HD22 -0.02 -0.05 -0.12 -0.04 7.74 7.50 1ze1A1 GLY 245 H -0.02 -0.07 0.06 -0.55 8.43 7.85 1ze1A1 GLY 245 HA2 -0.03 0.09 0.40 -0.51 4.01 3.95 1ze1A1 GLY 245 HA3 -0.02 -0.18 0.41 -0.51 4.01 3.71 1ze1A1 SER 246 H -0.02 -0.05 0.09 -0.55 8.46 7.93 1ze1A1 SER 246 HA -0.02 -0.17 0.45 -0.75 4.49 3.99 1ze1A1 SER 246 HB2 -0.03 -0.16 -0.14 -0.04 3.95 3.57 1ze1A1 SER 246 HB3 -0.03 0.68 -0.22 -0.04 3.93 4.32 1ze1A1 GLN 247 H 0.02 -0.01 0.12 -0.55 8.47 8.06 1ze1A1 GLN 247 HA 0.01 0.10 0.55 -0.75 4.36 4.27 1ze1A1 GLN 247 HB2 0.15 -0.06 0.02 -0.04 2.15 2.23 1ze1A1 GLN 247 HB3 0.05 0.13 0.19 -0.04 2.02 2.36 1ze1A1 GLN 247 HG2 0.03 -0.06 0.07 -0.04 2.40 2.40 1ze1A1 GLN 247 HG3 0.03 0.02 0.05 -0.04 2.39 2.45 1ze1A1 GLN 247 HE21 -0.02 0.11 -0.03 -0.04 6.97 7.00 1ze1A1 GLN 247 HE22 -0.00 -0.03 -0.03 -0.04 7.69 7.59 1ze1A1 ILE 248 H 0.03 0.36 0.21 -0.55 8.25 8.30 1ze1A1 ILE 248 HA 0.06 0.16 0.77 -0.75 4.18 4.41 1ze1A1 ILE 248 HB -0.03 -0.06 0.11 -0.04 1.89 1.87 1ze1A1 ILE 248 HG12 -0.02 0.07 -0.15 -0.04 1.49 1.34 1ze1A1 ILE 248 HG13 -0.02 0.02 -0.14 -0.04 1.21 1.02 1ze1A1 ILE 248 HG23 -0.05 -0.01 -0.24 -0.04 0.93 0.60 1ze1A1 ILE 248 HD13 -0.07 0.00 -0.17 -0.04 0.88 0.60 1ze1A1 HIS 249 H 0.16 0.19 0.12 -0.55 8.41 8.33 1ze1A1 HIS 249 HA -0.00 0.14 0.96 -0.75 4.63 4.97 1ze1A1 HIS 249 HB2 0.00 -0.04 -0.01 -0.04 3.26 3.17 1ze1A1 HIS 249 HB3 0.01 0.06 -0.06 -0.04 3.20 3.18 1ze1A1 HIS 249 HD2 -0.01 -0.10 -0.75 -0.04 6.97 6.07 1ze1A1 HIS 249 HE1 0.01 -0.00 -0.04 -0.04 7.75 7.67 1ze1A1 LEU 250 H 0.06 0.51 0.05 -0.55 8.37 8.44 1ze1A1 LEU 250 HA -0.00 0.03 0.27 -0.75 4.35 3.89 1ze1A1 LEU 250 HB2 0.06 0.06 0.11 -0.04 1.64 1.84 1ze1A1 LEU 250 HB3 0.08 -0.00 0.04 -0.04 1.64 1.71 1ze1A1 LEU 250 HG 0.09 -0.06 -0.01 -0.04 1.64 1.62 1ze1A1 LEU 250 HD13 0.08 0.06 -0.14 -0.04 0.93 0.89 1ze1A1 LEU 250 HD23 0.15 -0.01 -0.12 -0.04 0.89 0.87 1ze1A1 GLU 251 H 0.09 0.12 -0.11 -0.55 8.60 8.15 1ze1A1 GLU 251 HA 0.10 0.14 0.37 -0.75 4.29 4.14 1ze1A1 GLU 251 HB2 0.06 -0.02 0.00 -0.04 2.09 2.09 1ze1A1 GLU 251 HB3 0.05 0.02 0.08 -0.04 1.99 2.11 1ze1A1 GLU 251 HG2 0.07 0.04 -0.01 -0.04 2.34 2.39 1ze1A1 GLU 251 HG3 0.07 -0.06 0.01 -0.04 2.34 2.33 1ze1A1 MET 252 H 0.06 0.32 -0.66 -0.55 8.47 7.65 1ze1A1 MET 252 HA 0.14 0.08 0.63 -0.75 4.52 4.61 1ze1A1 MET 252 HB2 0.04 0.15 0.09 -0.04 2.15 2.38 1ze1A1 MET 252 HB3 0.02 -0.03 0.01 -0.04 2.03 2.00 1ze1A1 MET 252 HG2 0.02 0.00 -0.01 -0.04 2.63 2.60 1ze1A1 MET 252 HG3 0.02 -0.06 -0.12 -0.04 2.56 2.37 1ze1A1 MET 252 HE3 -0.01 0.04 -0.06 -0.04 2.10 2.03 1ze1A1 LEU 253 H -0.04 0.40 -0.09 -0.55 8.37 8.10 1ze1A1 LEU 253 HA -0.18 0.03 0.50 -0.75 4.35 3.95 1ze1A1 LEU 253 HB2 -0.35 0.17 0.04 -0.04 1.64 1.46 1ze1A1 LEU 253 HB3 -0.63 -0.09 -0.09 -0.04 1.64 0.79 1ze1A1 LEU 253 HG -0.16 0.05 -0.15 -0.04 1.64 1.34 1ze1A1 LEU 253 HD13 -0.37 -0.03 -0.16 -0.04 0.93 0.33 1ze1A1 LEU 253 HD23 -0.24 0.00 -0.20 -0.04 0.89 0.41 1ze1A1 LYS 254 H -0.22 0.34 0.36 -0.55 8.42 8.35 1ze1A1 LYS 254 HA -0.04 0.18 0.88 -0.75 4.32 4.58 1ze1A1 LYS 254 HB2 -1.10 -0.06 -0.16 -0.04 1.87 0.50 1ze1A1 LYS 254 HB3 -0.26 0.12 -0.10 -0.04 1.79 1.52 1ze1A1 LYS 254 HG2 -0.02 0.02 -0.18 -0.04 1.46 1.24 1ze1A1 LYS 254 HG3 0.01 0.01 0.07 -0.04 1.46 1.50 1ze1A1 LYS 254 HD2 -0.06 -0.04 -0.03 -0.04 1.69 1.51 1ze1A1 LYS 254 HD3 -0.08 -0.03 -0.13 -0.04 1.68 1.39 1ze1A1 LYS 254 HE2 0.11 0.02 -0.00 -0.04 2.99 3.08 1ze1A1 LYS 254 HE3 0.12 -0.05 -0.00 -0.04 2.99 3.01 1ze1A1 GLU 255 H -0.05 0.26 0.31 -0.55 8.60 8.57 1ze1A1 GLU 255 HA 0.58 0.07 0.76 -0.75 4.29 4.94 1ze1A1 GLU 255 HB2 0.07 -0.07 -0.00 -0.04 2.09 2.04 1ze1A1 GLU 255 HB3 0.13 0.17 0.03 -0.04 1.99 2.28 1ze1A1 GLU 255 HG2 0.12 0.00 0.05 -0.04 2.34 2.47 1ze1A1 GLU 255 HG3 0.18 0.22 0.16 -0.04 2.34 2.86 1ze1A1 TRP 256 H 1.05 0.10 0.10 -0.55 7.97 8.68 1ze1A1 TRP 256 HA 0.19 0.11 0.57 -0.75 4.62 4.73 1ze1A1 TRP 256 HB2 0.04 0.07 0.06 -0.04 3.23 3.36 1ze1A1 TRP 256 HB3 0.09 -0.50 0.27 -0.04 3.23 3.05 1ze1A1 TRP 256 HD1 -0.16 -0.08 0.07 -0.04 7.22 7.01 1ze1A1 TRP 256 HE1 -0.01 -0.01 0.03 -0.04 10.20 10.16 1ze1A1 TRP 256 HE3 0.03 -0.20 0.03 -0.04 7.59 7.42 1ze1A1 TRP 256 HZ2 0.03 -0.02 -0.12 -0.04 7.44 7.29 1ze1A1 TRP 256 HZ3 0.02 0.21 -0.34 -0.04 7.13 6.98 1ze1A1 TRP 256 HH2 0.03 0.07 -0.15 -0.04 7.19 7.10 1ze1A1 ASP 257 H 0.49 -0.54 0.27 -0.55 8.40 8.07 1ze1A1 ASP 257 HA 0.17 0.07 0.47 -0.75 4.63 4.59 1ze1A1 ASP 257 HB2 0.17 0.66 -0.29 -0.04 2.71 3.22 1ze1A1 ASP 257 HB3 0.19 -0.11 -0.00 -0.04 2.70 2.74 1ze1A1 GLY 258 H 0.34 -0.37 0.17 -0.55 8.43 8.03 1ze1A1 GLY 258 HA2 -0.03 -0.09 0.41 -0.51 4.01 3.79 1ze1A1 GLY 258 HA3 0.08 0.16 0.46 -0.51 4.01 4.20 1ze1A1 PHE 259 H -0.43 0.15 0.17 -0.55 8.34 7.67 1ze1A1 PHE 259 HA 0.07 0.10 0.68 -0.75 4.62 4.72 1ze1A1 PHE 259 HB2 0.05 0.14 0.02 -0.04 3.15 3.32 1ze1A1 PHE 259 HB3 0.06 0.11 -0.20 -0.04 3.06 2.99 1ze1A1 PHE 259 HD2 0.07 0.16 -0.26 -0.04 7.28 7.21 1ze1A1 PHE 259 HE2 -0.02 -0.05 -0.08 -0.04 7.38 7.20 1ze1A1 PHE 259 HZ -0.16 -0.06 -0.09 -0.04 7.32 6.97 1ze1A1 LYS 260 H 0.20 0.10 0.13 -0.55 8.42 8.30 1ze1A1 LYS 260 HA 0.08 0.02 0.66 -0.75 4.32 4.32 1ze1A1 LYS 260 HB2 0.10 0.03 0.10 -0.04 1.87 2.06 1ze1A1 LYS 260 HB3 0.08 -0.07 0.08 -0.04 1.79 1.84 1ze1A1 LYS 260 HG2 0.06 -0.00 -0.04 -0.04 1.46 1.44 1ze1A1 LYS 260 HG3 0.05 0.05 0.03 -0.04 1.46 1.55 1ze1A1 LYS 260 HD2 0.04 -0.01 0.10 -0.04 1.69 1.77 1ze1A1 LYS 260 HD3 0.03 0.03 0.03 -0.04 1.68 1.72 1ze1A1 LYS 260 HE2 0.03 0.07 0.05 -0.04 2.99 3.10 1ze1A1 LYS 260 HE3 0.05 -0.18 0.13 -0.04 2.99 2.95 1ze1A1 LYS 261 H 0.07 0.00 0.10 -0.55 8.42 8.04 1ze1A1 LYS 261 HA 0.10 0.37 0.22 -0.75 4.32 4.26 1ze1A1 LYS 261 HB2 0.04 -0.10 0.19 -0.04 1.87 1.95 1ze1A1 LYS 261 HB3 0.03 0.04 0.14 -0.04 1.79 1.96 1ze1A1 LYS 261 HG2 0.03 -0.10 -0.23 -0.04 1.46 1.11 1ze1A1 LYS 261 HG3 -0.00 -0.05 -0.01 -0.04 1.46 1.36 1ze1A1 LYS 261 HD2 0.03 0.19 -0.37 -0.04 1.69 1.50 1ze1A1 LYS 261 HD3 -0.02 -0.05 -0.14 -0.04 1.68 1.43 1ze1A1 LYS 261 HE2 -0.01 -0.08 -0.01 -0.04 2.99 2.85 1ze1A1 LYS 261 HE3 0.01 -0.03 -0.01 -0.04 2.99 2.91 1ze1A1 GLY 262 H 0.04 0.02 0.09 -0.55 8.43 8.03 1ze1A1 GLY 262 HA2 0.03 0.12 0.31 -0.51 4.01 3.96 1ze1A1 GLY 262 HA3 0.03 -0.06 0.33 -0.51 4.01 3.80 1ze1A1 GLU 263 H 0.08 -0.06 -1.00 -0.55 8.60 7.07 1ze1A1 GLU 263 HA 0.07 -0.02 0.33 -0.75 4.29 3.91 1ze1A1 GLU 263 HB2 0.11 -0.17 0.01 -0.04 2.09 2.00 1ze1A1 GLU 263 HB3 0.14 0.20 0.01 -0.04 1.99 2.30 1ze1A1 GLU 263 HG2 0.09 0.15 -0.08 -0.04 2.34 2.46 1ze1A1 GLU 263 HG3 0.10 -0.05 0.15 -0.04 2.34 2.50 1ze1A1 VAL 264 H 0.08 0.08 0.22 -0.55 8.24 8.06 1ze1A1 VAL 264 HA -0.01 0.31 1.12 -0.75 4.13 4.79 1ze1A1 VAL 264 HB 0.16 -0.07 0.14 -0.04 2.12 2.30 1ze1A1 VAL 264 HG13 0.09 0.00 -0.18 -0.04 0.97 0.84 1ze1A1 VAL 264 HG23 0.09 -0.00 -0.08 -0.04 0.95 0.92 1ze1A1 VAL 265 H -0.10 0.70 0.35 -0.55 8.24 8.63 1ze1A1 VAL 265 HA -0.09 0.33 1.08 -0.75 4.13 4.70 1ze1A1 VAL 265 HB -0.18 0.08 -0.18 -0.04 2.12 1.80 1ze1A1 VAL 265 HG13 -0.33 -0.02 -0.32 -0.04 0.97 0.26 1ze1A1 VAL 265 HG23 -0.33 -0.02 -0.24 -0.04 0.95 0.31 1ze1A1 ARG 266 H -0.07 0.80 0.33 -0.55 8.46 8.98 1ze1A1 ARG 266 HA -0.15 0.09 0.79 -0.75 4.34 4.32 1ze1A1 ARG 266 HB2 0.13 -0.04 0.18 -0.04 1.90 2.13 1ze1A1 ARG 266 HB3 -0.23 -0.04 0.00 -0.04 1.80 1.50 1ze1A1 ARG 266 HG2 -0.21 -0.12 -0.04 -0.04 1.67 1.25 1ze1A1 ARG 266 HG3 -0.13 0.11 0.02 -0.04 1.67 1.63 1ze1A1 ARG 266 HD2 -0.01 -0.11 -0.05 -0.04 3.22 3.01 1ze1A1 ARG 266 HD3 -0.24 0.14 0.02 -0.04 3.22 3.10 1ze1A1 VAL 267 H -0.17 0.73 0.37 -0.55 8.24 8.62 1ze1A1 VAL 267 HA -0.05 0.25 0.97 -0.75 4.13 4.55 1ze1A1 VAL 267 HB -0.11 -0.14 0.20 -0.04 2.12 2.02 1ze1A1 VAL 267 HG13 -0.07 -0.00 -0.17 -0.04 0.97 0.69 1ze1A1 VAL 267 HG23 -0.11 0.02 -0.23 -0.04 0.95 0.59 1ze1A1 PHE 268 H 0.20 0.64 0.37 -0.55 8.34 9.00 1ze1A1 PHE 268 HA -0.03 0.24 1.04 -0.75 4.62 5.11 1ze1A1 PHE 268 HB2 -0.04 0.02 0.02 -0.04 3.15 3.11 1ze1A1 PHE 268 HB3 -0.03 0.00 0.03 -0.04 3.06 3.02 1ze1A1 PHE 268 HD2 -0.05 -0.00 -0.36 -0.04 7.28 6.83 1ze1A1 PHE 268 HE2 -0.07 0.04 -0.04 -0.04 7.38 7.28 1ze1A1 PHE 268 HZ -0.09 0.24 -0.01 -0.04 7.32 7.42 1ze1A1 ASN 269 H 0.15 0.27 0.26 -0.55 8.53 8.66 1ze1A1 ASN 269 HA 0.04 0.34 0.89 -0.75 4.76 5.28 1ze1A1 ASN 269 HB2 0.03 -0.10 0.19 -0.04 2.88 2.97 1ze1A1 ASN 269 HB3 0.02 0.12 0.03 -0.04 2.79 2.92 1ze1A1 ASN 269 HD21 0.02 0.03 0.00 -0.04 7.03 7.04 1ze1A1 ASN 269 HD22 0.02 0.07 0.03 -0.04 7.74 7.82 1ze1A1 GLU 270 H 0.03 0.14 0.18 -0.55 8.60 8.40 1ze1A1 GLU 270 HA 0.02 0.18 0.40 -0.75 4.29 4.13 1ze1A1 GLU 270 HB2 0.03 -0.06 0.13 -0.04 2.09 2.16 1ze1A1 GLU 270 HB3 0.03 0.08 0.10 -0.04 1.99 2.16 1ze1A1 GLU 270 HG2 0.01 0.13 -0.05 -0.04 2.34 2.39 1ze1A1 GLU 270 HG3 0.03 -0.01 0.21 -0.04 2.34 2.53 1ze1A1 GLU 271 H 0.04 -0.01 -0.18 -0.55 8.60 7.90 1ze1A1 GLU 271 HA 0.02 0.18 0.55 -0.75 4.29 4.29 1ze1A1 GLU 271 HB2 0.03 -0.07 0.04 -0.04 2.09 2.05 1ze1A1 GLU 271 HB3 0.02 0.08 0.10 -0.04 1.99 2.15 1ze1A1 GLU 271 HG2 0.02 0.07 0.01 -0.04 2.34 2.40 1ze1A1 GLU 271 HG3 0.02 -0.13 0.04 -0.04 2.34 2.22 1ze1A1 GLY 272 H 0.07 0.29 -0.48 -0.55 8.43 7.76 1ze1A1 GLY 272 HA2 0.05 0.09 0.23 -0.51 4.01 3.88 1ze1A1 GLY 272 HA3 0.03 0.18 0.65 -0.51 4.01 4.37 1ze1A1 ARG 273 H 0.10 -0.11 -0.10 -0.55 8.46 7.80 1ze1A1 ARG 273 HA 0.07 0.18 0.70 -0.75 4.34 4.54 1ze1A1 ARG 273 HB2 0.02 0.06 -0.03 -0.04 1.90 1.91 1ze1A1 ARG 273 HB3 0.03 -0.14 0.05 -0.04 1.80 1.70 1ze1A1 ARG 273 HG2 -0.02 0.00 -0.55 -0.04 1.67 1.05 1ze1A1 ARG 273 HG3 -0.03 0.03 -0.05 -0.04 1.67 1.58 1ze1A1 ARG 273 HD2 -0.00 0.01 -0.03 -0.04 3.22 3.15 1ze1A1 ARG 273 HD3 0.00 -0.08 -0.06 -0.04 3.22 3.04 1ze1A1 LEU 274 H -0.10 0.13 0.13 -0.55 8.37 7.99 1ze1A1 LEU 274 HA -0.71 0.14 0.58 -0.75 4.35 3.61 1ze1A1 LEU 274 HB2 -0.52 0.07 -0.03 -0.04 1.64 1.12 1ze1A1 LEU 274 HB3 -0.34 -0.10 0.06 -0.04 1.64 1.22 1ze1A1 LEU 274 HG -0.18 -0.04 -0.31 -0.04 1.64 1.06 1ze1A1 LEU 274 HD13 -0.83 0.04 -0.12 -0.04 0.93 -0.02 1ze1A1 LEU 274 HD23 -0.49 0.04 -0.20 -0.04 0.89 0.20 1ze1A1 LEU 275 H -0.19 0.71 0.43 -0.55 8.37 8.78 1ze1A1 LEU 275 HA -0.01 0.07 0.65 -0.75 4.35 4.31 1ze1A1 LEU 275 HB2 -0.07 0.18 0.10 -0.04 1.64 1.81 1ze1A1 LEU 275 HB3 -0.05 0.01 -0.08 -0.04 1.64 1.48 1ze1A1 LEU 275 HG -0.02 0.00 -0.01 -0.04 1.64 1.57 1ze1A1 LEU 275 HD13 -0.02 -0.00 -0.23 -0.04 0.93 0.63 1ze1A1 LEU 275 HD23 -0.02 -0.02 -0.09 -0.04 0.89 0.73 1ze1A1 ALA 276 H -0.09 0.31 0.27 -0.55 8.40 8.35 1ze1A1 ALA 276 HA -0.19 0.11 0.56 -0.75 4.34 4.06 1ze1A1 ALA 276 HB3 -0.15 0.03 -0.03 -0.04 1.41 1.22 1ze1A1 LEU 277 H -0.22 0.54 0.40 -0.55 8.37 8.54 1ze1A1 LEU 277 HA -0.10 0.31 1.02 -0.75 4.35 4.83 1ze1A1 LEU 277 HB2 -0.08 -0.09 0.15 -0.04 1.64 1.58 1ze1A1 LEU 277 HB3 -0.04 0.04 0.00 -0.04 1.64 1.61 1ze1A1 LEU 277 HG 0.15 -0.04 -0.21 -0.04 1.64 1.50 1ze1A1 LEU 277 HD13 -0.20 -0.00 -0.09 -0.04 0.93 0.60 1ze1A1 LEU 277 HD23 -0.17 0.04 -0.07 -0.04 0.89 0.66 1ze1A1 ALA 278 H -0.09 0.66 0.30 -0.55 8.40 8.72 1ze1A1 ALA 278 HA -0.06 0.17 0.85 -0.75 4.34 4.55 1ze1A1 ALA 278 HB3 -0.09 -0.02 -0.33 -0.04 1.41 0.92 1ze1A1 GLU 279 H -0.04 0.59 0.26 -0.55 8.60 8.86 1ze1A1 GLU 279 HA -0.03 0.36 1.01 -0.75 4.29 4.87 1ze1A1 GLU 279 HB2 -0.00 -0.04 0.01 -0.04 2.09 2.02 1ze1A1 GLU 279 HB3 -0.02 -0.09 0.11 -0.04 1.99 1.95 1ze1A1 GLU 279 HG2 0.00 0.07 -0.32 -0.04 2.34 2.05 1ze1A1 GLU 279 HG3 0.01 0.40 -0.02 -0.04 2.34 2.69 1ze1A1 ALA 280 H -0.02 0.69 0.24 -0.55 8.40 8.75 1ze1A1 ALA 280 HA -0.04 -0.03 0.67 -0.75 4.34 4.19 1ze1A1 ALA 280 HB3 0.11 0.14 0.23 -0.04 1.41 1.85 1ze1A1 GLU 281 H 0.03 0.51 0.23 -0.55 8.60 8.82 1ze1A1 GLU 281 HA 0.02 0.08 0.48 -0.75 4.29 4.11 1ze1A1 GLU 281 HB2 -0.01 -0.05 -0.25 -0.04 2.09 1.74 1ze1A1 GLU 281 HB3 0.01 0.05 -0.23 -0.04 1.99 1.78 1ze1A1 GLU 281 HG2 -0.02 -0.05 -0.12 -0.04 2.34 2.11 1ze1A1 GLU 281 HG3 -0.01 -0.02 0.02 -0.04 2.34 2.29 1ze1A1 ARG 282 H 0.13 0.21 -0.00 -0.55 8.46 8.25 1ze1A1 ARG 282 HA 0.03 0.17 0.81 -0.75 4.34 4.60 1ze1A1 ARG 282 HB2 0.13 0.07 -0.04 -0.04 1.90 2.02 1ze1A1 ARG 282 HB3 0.21 -0.07 -0.17 -0.04 1.80 1.73 1ze1A1 ARG 282 HG2 0.38 0.02 -0.09 -0.04 1.67 1.94 1ze1A1 ARG 282 HG3 0.21 -0.21 0.04 -0.04 1.67 1.67 1ze1A1 ARG 282 HD2 -0.02 0.16 0.07 -0.04 3.22 3.39 1ze1A1 ARG 282 HD3 0.07 0.06 -0.13 -0.04 3.22 3.18 1ze1A1 ASN 283 H 0.09 0.03 0.04 -0.55 8.53 8.14 1ze1A1 ASN 283 HA 0.07 0.15 0.43 -0.75 4.76 4.66 1ze1A1 ASN 283 HB2 0.07 0.02 0.23 -0.04 2.88 3.16 1ze1A1 ASN 283 HB3 0.05 -0.45 0.34 -0.04 2.79 2.68 1ze1A1 ASN 283 HD21 0.00 0.06 0.04 -0.04 7.03 7.10 1ze1A1 ASN 283 HD22 0.01 -0.02 0.07 -0.04 7.74 7.76 1ze1A1 SER 284 H 0.05 -0.36 0.20 -0.55 8.46 7.81 1ze1A1 SER 284 HA -0.25 0.14 0.41 -0.75 4.49 4.04 1ze1A1 SER 284 HB2 -1.11 0.53 0.23 -0.04 3.95 3.56 1ze1A1 SER 284 HB3 -0.26 -0.05 0.02 -0.04 3.93 3.60 1ze1A1 SER 285 H -0.01 0.22 0.23 -0.55 8.46 8.36 1ze1A1 SER 285 HA -0.02 0.18 0.57 -0.75 4.49 4.47 1ze1A1 SER 285 HB2 0.02 0.09 0.09 -0.04 3.95 4.11 1ze1A1 SER 285 HB3 -0.01 0.08 0.13 -0.04 3.93 4.10 1ze1A1 PHE 286 H 0.20 -0.28 -0.04 -0.55 8.34 7.67 1ze1A1 PHE 286 HA 0.03 0.21 0.47 -0.75 4.62 4.57 1ze1A1 PHE 286 HB2 0.02 0.02 0.12 -0.04 3.15 3.27 1ze1A1 PHE 286 HB3 0.04 -0.08 0.03 -0.04 3.06 3.00 1ze1A1 PHE 286 HD2 0.04 -0.00 -0.03 -0.04 7.28 7.24 1ze1A1 PHE 286 HE2 0.02 0.05 -0.02 -0.04 7.38 7.39 1ze1A1 PHE 286 HZ 0.01 0.05 -0.03 -0.04 7.32 7.31 1ze1A1 LEU 287 H 0.16 0.25 -0.64 -0.55 8.37 7.59 1ze1A1 LEU 287 HA 0.11 0.07 0.38 -0.75 4.35 4.15 1ze1A1 LEU 287 HB2 0.50 0.27 0.10 -0.04 1.64 2.47 1ze1A1 LEU 287 HB3 0.53 0.05 -0.08 -0.04 1.64 2.10 1ze1A1 LEU 287 HG 0.19 0.01 -0.03 -0.04 1.64 1.77 1ze1A1 LEU 287 HD13 0.21 -0.03 -0.16 -0.04 0.93 0.90 1ze1A1 LEU 287 HD23 0.08 0.02 -0.06 -0.04 0.89 0.89 1ze1A1 GLU 288 H -0.00 0.24 -0.23 -0.55 8.60 8.06 1ze1A1 GLU 288 HA -0.02 0.05 0.32 -0.75 4.29 3.89 1ze1A1 GLU 288 HB2 -0.07 0.09 0.07 -0.04 2.09 2.14 1ze1A1 GLU 288 HB3 -0.07 0.03 -0.01 -0.04 1.99 1.89 1ze1A1 GLU 288 HG2 -0.14 -0.03 0.04 -0.04 2.34 2.17 1ze1A1 GLU 288 HG3 -0.12 0.02 0.02 -0.04 2.34 2.21 1ze1A1 THR 289 H -0.24 0.09 -0.58 -0.55 8.28 7.00 1ze1A1 THR 289 HA -0.13 0.10 0.52 -0.75 4.39 4.13 1ze1A1 THR 289 HB -1.31 0.10 0.10 -0.04 4.32 3.17 1ze1A1 THR 289 HG23 -0.08 -0.01 -0.01 -0.04 1.22 1.08 1ze1A1 LEU 290 H -0.30 0.19 -0.03 -0.55 8.37 7.69 1ze1A1 LEU 290 HA -0.06 -0.07 0.52 -0.75 4.35 3.99 1ze1A1 LEU 290 HB2 -0.01 0.00 0.21 -0.04 1.64 1.80 1ze1A1 LEU 290 HB3 0.04 0.06 0.07 -0.04 1.64 1.76 1ze1A1 LEU 290 HG -0.02 -0.02 0.01 -0.04 1.64 1.56 1ze1A1 LEU 290 HD13 0.15 -0.04 -0.07 -0.04 0.93 0.92 1ze1A1 LEU 290 HD23 0.09 -0.01 0.02 -0.04 0.89 0.95 1ze1A1 ARG 291 H -0.02 0.32 -0.21 -0.55 8.46 8.00 1ze1A1 ARG 291 HA 0.04 0.10 0.55 -0.75 4.34 4.27 1ze1A1 ARG 291 HB2 0.08 -0.03 0.03 -0.04 1.90 1.94 1ze1A1 ARG 291 HB3 0.01 0.09 0.01 -0.04 1.80 1.86 1ze1A1 ARG 291 HG2 0.01 -0.23 0.11 -0.04 1.67 1.51 1ze1A1 ARG 291 HG3 0.05 0.00 0.03 -0.04 1.67 1.71 1ze1A1 ARG 291 HD2 0.03 -0.02 -0.01 -0.04 3.22 3.18 1ze1A1 ARG 291 HD3 0.08 -0.01 -0.04 -0.04 3.22 3.21 1ze1A1 LYS 292 H -0.03 0.07 0.04 -0.55 8.42 7.94 1ze1A1 LYS 292 HA -0.10 -0.07 0.33 -0.75 4.32 3.72 1ze1A1 LYS 292 HB2 -0.18 0.52 0.29 -0.04 1.87 2.45 1ze1A1 LYS 292 HB3 -0.26 -0.12 0.15 -0.04 1.79 1.52 1ze1A1 LYS 292 HG2 -0.09 -0.11 0.02 -0.04 1.46 1.25 1ze1A1 LYS 292 HG3 -0.08 0.09 -0.17 -0.04 1.46 1.26 1ze1A1 LYS 292 HD2 -0.11 0.03 -0.05 -0.04 1.69 1.52 1ze1A1 LYS 292 HD3 -0.10 -0.08 -0.00 -0.04 1.68 1.47 1ze1A1 LYS 292 HE2 -0.06 -0.05 -0.02 -0.04 2.99 2.81 1ze1A1 LYS 292 HE3 -0.07 0.03 -0.06 -0.04 2.99 2.85 1ze1A1 HIS 293 H 0.02 0.28 -1.53 -0.55 8.41 6.63 1ze1A1 HIS 293 HA -0.01 0.05 0.69 -0.75 4.63 4.61 1ze1A1 HIS 293 HB2 -0.03 0.32 0.08 -0.04 3.26 3.59 1ze1A1 HIS 293 HB3 -0.00 -0.18 0.06 -0.04 3.20 3.03 1ze1A1 HIS 293 HD2 -0.00 -0.08 0.09 -0.04 6.97 6.93 1ze1A1 HIS 293 HE1 -0.01 -0.08 -0.00 -0.04 7.75 7.61 1ze1A1 GLU 294 H 0.09 0.15 0.06 -0.55 8.60 8.36 1ze1A1 GLU 294 HA 0.05 0.08 0.33 -0.75 4.29 3.99 1ze1A1 GLU 294 HB2 0.05 -0.00 0.05 -0.04 2.09 2.14 1ze1A1 GLU 294 HB3 0.04 0.00 0.15 -0.04 1.99 2.14 1ze1A1 GLU 294 HG2 0.05 -0.01 0.08 -0.04 2.34 2.41 1ze1A1 GLU 294 HG3 0.03 0.01 0.03 -0.04 2.34 2.37 1ze1A1 ARG 295 H 0.10 0.09 -1.20 -0.55 8.46 6.90 1ze1A1 ARG 295 HA 0.05 -0.01 0.54 -0.75 4.34 4.16 1ze1A1 ARG 295 HB2 0.05 0.18 0.16 -0.04 1.90 2.25 1ze1A1 ARG 295 HB3 0.04 -0.09 -0.01 -0.04 1.80 1.70 1ze1A1 ARG 295 HG2 0.02 -0.01 -0.05 -0.04 1.67 1.59 1ze1A1 ARG 295 HG3 0.03 -0.07 -0.06 -0.04 1.67 1.52 1ze1A1 ARG 295 HD2 -0.07 0.06 0.01 -0.04 3.22 3.17 1ze1A1 ARG 295 HD3 -0.00 -0.03 -0.02 -0.04 3.22 3.13 1ze1A1 GLN 296 H 0.06 0.18 0.13 -0.55 8.47 8.29 1ze1A1 GLN 296 HA 0.06 0.26 1.11 -0.75 4.36 5.04 1ze1A1 GLN 296 HB2 0.07 0.11 -0.09 -0.04 2.15 2.19 1ze1A1 GLN 296 HB3 0.09 0.02 0.21 -0.04 2.02 2.30 1ze1A1 GLN 296 HG2 0.12 -0.00 -0.01 -0.04 2.40 2.47 1ze1A1 GLN 296 HG3 0.09 -0.08 0.05 -0.04 2.39 2.41 1ze1A1 GLN 296 HE21 0.04 0.10 -0.05 -0.04 6.97 7.02 1ze1A1 GLN 296 HE22 0.10 -0.32 -0.06 -0.04 7.69 7.37 1ze1A1 ARG 297 H 0.03 0.21 -0.16 -0.55 8.46 7.99 1ze1A1 ARG 297 HA -0.09 0.18 0.64 -0.75 4.34 4.32 1ze1A1 ARG 297 HB2 -0.08 0.01 0.15 -0.04 1.90 1.94 1ze1A1 ARG 297 HB3 -0.02 0.01 0.05 -0.04 1.80 1.80 1ze1A1 ARG 297 HG2 0.04 -0.03 -0.05 -0.04 1.67 1.59 1ze1A1 ARG 297 HG3 0.04 0.08 -0.06 -0.04 1.67 1.69 1ze1A1 ARG 297 HD2 0.03 0.03 -0.02 -0.04 3.22 3.23 1ze1A1 ARG 297 HD3 0.03 -0.03 -0.03 -0.04 3.22 3.15 1ze1A1 ARG 298 H -0.32 0.11 0.11 -0.55 8.46 7.80 1ze1A1 ARG 298 HA -0.66 0.08 0.45 -0.75 4.34 3.45 1ze1A1 ARG 298 HB2 -0.31 -0.01 0.05 -0.04 1.90 1.59 1ze1A1 ARG 298 HB3 -0.14 0.00 0.02 -0.04 1.80 1.64 1ze1A1 ARG 298 HG2 -0.07 -0.03 -0.24 -0.04 1.67 1.29 1ze1A1 ARG 298 HG3 -0.03 -0.01 -0.06 -0.04 1.67 1.52 1ze1A1 ARG 298 HD2 -0.04 0.00 -0.15 -0.04 3.22 2.99 1ze1A1 ARG 298 HD3 -0.02 0.02 -0.13 -0.04 3.22 3.05 1ze1A1 VAL 299 H -0.08 0.62 0.40 -0.55 8.24 8.63 1ze1A1 VAL 299 HA 0.02 0.13 0.85 -0.75 4.13 4.38 1ze1A1 VAL 299 HB -0.03 0.07 -0.13 -0.04 2.12 2.00 1ze1A1 VAL 299 HG13 0.08 -0.02 -0.16 -0.04 0.97 0.84 1ze1A1 VAL 299 HG23 0.02 0.01 -0.21 -0.04 0.95 0.72 1ze1A1 LEU 300 H -0.04 0.39 0.27 -0.55 8.37 8.44 1ze1A1 LEU 300 HA -0.06 0.29 0.85 -0.75 4.35 4.67 1ze1A1 LEU 300 HB2 -0.08 -0.08 -0.03 -0.04 1.64 1.41 1ze1A1 LEU 300 HB3 -0.12 0.05 -0.21 -0.04 1.64 1.32 1ze1A1 LEU 300 HG -0.13 -0.15 -0.55 -0.04 1.64 0.77 1ze1A1 LEU 300 HD13 -0.21 0.00 -0.23 -0.04 0.93 0.46 1ze1A1 LEU 300 HD23 -0.39 0.04 -0.21 -0.04 0.89 0.29 1ze1A1 THR 301 H -0.04 0.84 0.24 -0.55 8.28 8.77 1ze1A1 THR 301 HA -0.02 0.05 0.99 -0.75 4.39 4.65 1ze1A1 THR 301 HB -0.02 0.04 0.14 -0.04 4.32 4.43 1ze1A1 THR 301 HG23 -0.02 0.05 -0.08 -0.04 1.22 1.14 1ze1A1 LEU 302 H -0.03 0.08 0.11 -0.55 8.37 7.98 1ze1A1 LEU 302 HA -0.07 0.01 0.32 -0.75 4.35 3.86 1ze1A1 LEU 302 HB2 -0.04 -0.08 0.02 -0.04 1.64 1.50 1ze1A1 LEU 302 HB3 -0.07 0.05 -0.13 -0.04 1.64 1.44 1ze1A1 LEU 302 HG -0.03 -0.15 -0.02 -0.04 1.64 1.39 1ze1A1 LEU 302 HD13 -0.05 0.08 -0.12 -0.04 0.93 0.79 1ze1A1 LEU 302 HD23 -0.07 -0.01 -0.10 -0.04 0.89 0.66 1ze1A1 ARG 303 H -0.09 0.43 0.43 -0.55 8.46 8.68 1ze1A1 ARG 303 HA -0.04 0.14 0.96 -0.75 4.34 4.65 1ze1A1 ARG 303 HB2 -0.03 -0.08 -0.03 -0.04 1.90 1.73 1ze1A1 ARG 303 HB3 -0.03 0.08 -0.01 -0.04 1.80 1.79 1ze1A1 ARG 303 HG2 0.05 -0.03 -0.11 -0.04 1.67 1.53 1ze1A1 ARG 303 HG3 -0.01 -0.01 0.05 -0.04 1.67 1.65 1ze1A1 ARG 303 HD2 -0.00 0.00 -0.02 -0.04 3.22 3.16 1ze1A1 ARG 303 HD3 0.01 -0.02 -0.13 -0.04 3.22 3.04 1ze1A1 LYS 304 H -0.16 0.40 0.35 -0.55 8.42 8.46 1ze1A1 LYS 304 HA -0.20 0.14 0.73 -0.75 4.32 4.23 1ze1A1 LYS 304 HB2 -0.29 -0.09 0.10 -0.04 1.87 1.56 1ze1A1 LYS 304 HB3 -0.48 0.04 -0.04 -0.04 1.79 1.27 1ze1A1 LYS 304 HG2 -0.09 0.07 0.06 -0.04 1.46 1.46 1ze1A1 LYS 304 HG3 -0.04 -0.04 -0.45 -0.04 1.46 0.89 1ze1A1 LYS 304 HD2 0.15 -0.06 -0.06 -0.04 1.69 1.67 1ze1A1 LYS 304 HD3 0.03 -0.01 -0.06 -0.04 1.68 1.60 1ze1A1 LYS 304 HE2 0.06 -0.04 -0.01 -0.04 2.99 2.96 1ze1A1 LYS 304 HE3 0.14 0.13 0.08 -0.04 2.99 3.29 1ze1A1 VAL 305 H -0.25 0.18 0.15 -0.55 8.24 7.77 1ze1A1 VAL 305 HA -0.30 0.20 1.02 -0.75 4.13 4.30 1ze1A1 VAL 305 HB -0.14 -0.09 0.16 -0.04 2.12 2.01 1ze1A1 VAL 305 HG13 -0.09 0.08 -0.00 -0.04 0.97 0.92 1ze1A1 VAL 305 HG23 -0.11 0.03 -0.05 -0.04 0.95 0.78 1ze1A1 PHE 306 H -0.12 0.78 0.25 -0.55 8.34 8.71 1ze1A1 PHE 306 HA -0.10 0.16 0.86 -0.75 4.62 4.79 1ze1A1 PHE 306 HB2 -0.14 0.20 0.15 -0.04 3.15 3.31 1ze1A1 PHE 306 HB3 -0.16 -0.10 0.12 -0.04 3.06 2.88 1ze1A1 PHE 306 HD2 -0.14 0.01 -0.32 -0.04 7.28 6.79 1ze1A1 PHE 306 HE2 -0.12 0.01 -0.23 -0.04 7.38 7.00 1ze1A1 PHE 306 HZ -0.11 -0.01 -0.19 -0.04 7.32 6.97 1ze1A1 GLN 307 H -0.04 0.33 -0.21 -0.55 8.47 8.00 1ze1A1 GLN 307 HA -0.02 0.04 0.44 -0.75 4.36 4.07 1ze1A1 GLN 307 HB2 -0.03 0.00 0.18 -0.04 2.15 2.26 1ze1A1 GLN 307 HB3 -0.02 -0.04 0.19 -0.04 2.02 2.11 1ze1A1 GLN 307 HG2 -0.04 0.09 0.10 -0.04 2.40 2.51 1ze1A1 GLN 307 HG3 -0.03 -0.03 0.09 -0.04 2.39 2.38 1ze1A1 GLN 307 HE21 -0.02 -0.11 -0.12 -0.04 6.97 6.68 1ze1A1 GLN 307 HE22 -0.02 0.01 -0.07 -0.04 7.69 7.57 1ze1A1 THR 308 H -0.04 0.64 0.31 -0.55 8.28 8.64 1ze1A1 THR 308 HA -0.14 0.06 0.25 -0.75 4.39 3.80 1ze1A1 THR 308 HB -0.10 0.06 0.15 -0.04 4.32 4.39 1ze1A1 THR 308 HG23 -0.03 -0.00 0.06 -0.04 1.22 1.21