============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. PHE 2 1.000 -22.219 55.812 -9.971 -99.200 -91.000 TYR 3 0.840 -15.612 57.546 -8.099 -99.200 -91.000 PHE 27 1.000 -5.937 58.785 -0.523 -99.200 -91.000 HIS 41 0.900 -2.198 45.327 9.957 -99.200 -91.000 HIS 42 0.900 -5.571 47.326 3.124 -99.200 -91.000 TRP 44 1.040 2.256 52.758 9.323 -99.200 -91.000 TRP6 44 1.020 2.677 54.848 8.296 -99.200 -91.000 TRP 65 1.040 7.595 59.246 11.841 -99.200 -91.000 TRP6 65 1.020 6.297 59.897 9.976 -99.200 -91.000 PHE 78 1.000 -6.939 49.464 15.474 -99.200 -91.000 HIS 86 0.900 9.175 67.625 12.420 -99.200 -91.000 TRP 88 1.040 0.443 65.305 12.402 -99.200 -91.000 TRP6 88 1.020 -0.328 63.934 10.631 -99.200 -91.000 TYR 110 0.840 -13.103 64.733 0.178 -99.200 -91.000 PHE 130 1.000 -22.415 41.256 14.237 -99.200 -91.000 TRP 132 1.040 -16.722 44.642 14.945 -99.200 -91.000 TRP6 132 1.020 -17.783 43.452 16.689 -99.200 -91.000 HIS 136 0.900 -18.310 53.416 2.908 -99.200 -91.000 TRP 144 1.040 -10.420 55.849 -3.690 -99.200 -91.000 TRP6 144 1.020 -12.171 57.437 -3.601 -99.200 -91.000 TYR 150 0.840 -12.783 63.794 6.018 -99.200 -91.000 HIS 159 0.900 -13.365 52.221 1.963 -99.200 -91.000 PHE 162 1.000 -14.021 46.072 -1.971 -99.200 -91.000 PHE 175 1.000 -17.106 58.049 20.004 -99.200 -91.000 TYR 176 0.840 -17.002 48.731 20.163 -99.200 -91.000 TYR 180 0.840 -17.393 51.329 24.781 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1zyoA1 SER 138 HA -0.05 0.02 0.26 -0.75 4.49 3.96 1zyoA1 SER 138 HB2 -0.08 -0.01 0.07 -0.04 3.95 3.90 1zyoA1 SER 138 HB3 -0.03 -0.06 0.10 -0.04 3.93 3.89 1zyoA1 PHE 139 H 0.16 0.13 0.13 -0.55 8.34 8.21 1zyoA1 PHE 139 HA -0.15 0.09 0.69 -0.75 4.62 4.49 1zyoA1 PHE 139 HB2 -0.56 -0.00 0.09 -0.04 3.15 2.64 1zyoA1 PHE 139 HB3 -0.40 0.00 0.23 -0.04 3.06 2.85 1zyoA1 PHE 139 HD2 -0.08 0.02 0.09 -0.04 7.28 7.27 1zyoA1 PHE 139 HE2 -0.04 -0.02 0.03 -0.04 7.38 7.32 1zyoA1 PHE 139 HZ -0.03 -0.02 0.02 -0.04 7.32 7.24 1zyoA1 TYR 140 H 0.14 0.20 -0.37 -0.55 8.29 7.71 1zyoA1 TYR 140 HA 0.09 0.47 1.02 -0.75 4.56 5.39 1zyoA1 TYR 140 HB2 0.10 -0.01 -0.06 -0.04 3.06 3.05 1zyoA1 TYR 140 HB3 0.14 -0.04 -0.08 -0.04 2.98 2.96 1zyoA1 TYR 140 HD2 0.20 0.03 -0.19 -0.04 7.15 7.15 1zyoA1 TYR 140 HE2 -0.29 0.05 -0.21 -0.04 6.85 6.36 1zyoA1 SER 141 H 0.17 0.40 0.34 -0.55 8.46 8.83 1zyoA1 SER 141 HA 0.08 0.19 0.92 -0.75 4.49 4.93 1zyoA1 SER 141 HB2 0.04 -0.05 0.09 -0.04 3.95 4.00 1zyoA1 SER 141 HB3 0.04 0.04 0.08 -0.04 3.93 4.05 1zyoA1 PRO 142 HA 0.07 0.14 0.59 -0.51 4.44 4.73 1zyoA1 PRO 142 HB2 0.04 -0.02 -0.04 -0.04 2.28 2.22 1zyoA1 PRO 142 HB3 0.05 0.03 0.08 -0.04 2.02 2.14 1zyoA1 PRO 142 HG2 0.04 0.01 0.07 -0.04 2.03 2.11 1zyoA1 PRO 142 HG3 0.06 0.04 0.05 -0.04 2.03 2.14 1zyoA1 PRO 142 HD2 0.05 0.08 0.20 -0.04 3.68 3.97 1zyoA1 PRO 142 HD3 0.07 0.20 0.21 -0.04 3.65 4.08 1zyoA1 VAL 143 H 0.05 0.66 0.26 -0.55 8.24 8.66 1zyoA1 VAL 143 HA 0.06 0.12 0.78 -0.75 4.13 4.33 1zyoA1 VAL 143 HB 0.08 -0.08 -0.18 -0.04 2.12 1.90 1zyoA1 VAL 143 HG13 0.08 0.02 -0.29 -0.04 0.97 0.74 1zyoA1 VAL 143 HG23 0.16 0.02 -0.34 -0.04 0.95 0.74 1zyoA1 LYS 144 H 0.03 0.15 0.04 -0.55 8.42 8.08 1zyoA1 LYS 144 HA 0.02 0.06 0.53 -0.75 4.32 4.18 1zyoA1 ALA 145 H 0.02 0.14 0.25 -0.55 8.40 8.26 1zyoA1 ALA 145 HA 0.00 0.00 0.53 -0.75 4.34 4.12 1zyoA1 ALA 145 HB3 0.01 0.02 0.17 -0.04 1.41 1.56 1zyoA1 GLY 146 H -0.01 0.11 0.19 -0.55 8.43 8.17 1zyoA1 GLY 146 HA2 -0.02 0.06 0.37 -0.51 4.01 3.92 1zyoA1 GLY 146 HA3 -0.01 0.14 0.69 -0.51 4.01 4.32 1zyoA1 ASP 147 H -0.02 0.43 -0.20 -0.55 8.40 8.06 1zyoA1 ASP 147 HA -0.04 0.21 0.88 -0.75 4.63 4.93 1zyoA1 ASP 147 HB2 0.01 0.18 0.05 -0.04 2.71 2.90 1zyoA1 ASP 147 HB3 0.01 -0.06 0.08 -0.04 2.70 2.68 1zyoA1 GLU 148 H -0.09 -0.07 -0.05 -0.55 8.60 7.85 1zyoA1 GLU 148 HA -0.42 0.11 0.60 -0.75 4.29 3.83 1zyoA1 GLU 148 HB2 -0.49 0.00 0.09 -0.04 2.09 1.65 1zyoA1 GLU 148 HB3 -0.16 -0.06 0.03 -0.04 1.99 1.75 1zyoA1 GLU 148 HG2 -0.16 0.32 -0.29 -0.04 2.34 2.17 1zyoA1 GLU 148 HG3 -0.11 -0.01 -0.05 -0.04 2.34 2.13 1zyoA1 PRO 149 HA -0.26 0.10 0.49 -0.51 4.44 4.25 1zyoA1 PRO 149 HB2 -0.49 -0.12 0.07 -0.04 2.28 1.70 1zyoA1 PRO 149 HB3 -0.52 0.04 0.14 -0.04 2.02 1.65 1zyoA1 PRO 149 HG2 -1.69 0.03 0.08 -0.04 2.03 0.41 1zyoA1 PRO 149 HG3 -0.75 0.08 0.08 -0.04 2.03 1.40 1zyoA1 PRO 149 HD2 -1.09 0.06 0.18 -0.04 3.68 2.80 1zyoA1 PRO 149 HD3 -1.39 0.16 0.18 -0.04 3.65 2.56 1zyoA1 ALA 150 H -0.13 0.12 0.20 -0.55 8.40 8.05 1zyoA1 ALA 150 HA -0.07 0.20 0.42 -0.75 4.34 4.14 1zyoA1 ALA 150 HB3 -0.07 0.01 0.16 -0.04 1.41 1.48 1zyoA1 SER 151 H -0.06 -0.07 -0.21 -0.55 8.46 7.58 1zyoA1 SER 151 HA -0.13 0.18 0.69 -0.75 4.49 4.47 1zyoA1 SER 151 HB2 -0.04 -0.13 0.14 -0.04 3.95 3.88 1zyoA1 SER 151 HB3 -0.06 0.24 0.07 -0.04 3.93 4.13 1zyoA1 LEU 152 H -0.02 0.10 -0.23 -0.55 8.37 7.67 1zyoA1 LEU 152 HA 0.12 0.15 0.51 -0.75 4.35 4.38 1zyoA1 LEU 152 HB2 -0.02 -0.10 0.12 -0.04 1.64 1.60 1zyoA1 LEU 152 HB3 -0.08 0.08 0.06 -0.04 1.64 1.66 1zyoA1 LEU 152 HG 0.15 0.02 -0.21 -0.04 1.64 1.56 1zyoA1 LEU 152 HD13 0.15 0.05 0.12 -0.04 0.93 1.21 1zyoA1 LEU 152 HD23 -0.19 -0.02 -0.06 -0.04 0.89 0.57 1zyoA1 VAL 153 H 0.18 0.58 0.40 -0.55 8.24 8.85 1zyoA1 VAL 153 HA 0.15 0.17 0.84 -0.75 4.13 4.54 1zyoA1 VAL 153 HB 0.24 0.09 -0.27 -0.04 2.12 2.14 1zyoA1 VAL 153 HG13 0.27 -0.02 -0.29 -0.04 0.97 0.88 1zyoA1 VAL 153 HG23 0.25 -0.00 -0.11 -0.04 0.95 1.04 1zyoA1 ALA 154 H 0.09 0.83 0.39 -0.55 8.40 9.17 1zyoA1 ALA 154 HA -0.39 0.20 1.00 -0.75 4.34 4.40 1zyoA1 ALA 154 HB3 -0.15 -0.03 0.01 -0.04 1.41 1.21 1zyoA1 ILE 155 H -0.31 0.77 0.32 -0.55 8.25 8.48 1zyoA1 ILE 155 HA 0.06 0.19 0.98 -0.75 4.18 4.66 1zyoA1 ILE 155 HB 0.02 0.00 -0.12 -0.04 1.89 1.75 1zyoA1 ILE 155 HG12 0.43 0.00 -0.19 -0.04 1.49 1.68 1zyoA1 ILE 155 HG13 0.16 -0.04 -0.55 -0.04 1.21 0.75 1zyoA1 ILE 155 HG23 0.12 -0.01 -0.22 -0.04 0.93 0.79 1zyoA1 ILE 155 HD13 0.21 -0.03 -0.41 -0.04 0.88 0.60 1zyoA1 LYS 156 H -0.02 0.64 0.28 -0.55 8.42 8.77 1zyoA1 LYS 156 HA -0.07 0.24 0.92 -0.75 4.32 4.65 1zyoA1 LYS 156 HB2 -0.03 -0.04 -0.06 -0.04 1.87 1.69 1zyoA1 LYS 156 HB3 -0.05 0.17 -0.18 -0.04 1.79 1.68 1zyoA1 LYS 156 HG2 -0.06 -0.10 -0.37 -0.04 1.46 0.89 1zyoA1 LYS 156 HG3 -0.03 -0.04 -0.23 -0.04 1.46 1.12 1zyoA1 LYS 156 HD2 -0.04 0.15 -0.64 -0.04 1.69 1.13 1zyoA1 LYS 156 HD3 -0.06 -0.07 -0.50 -0.04 1.68 1.02 1zyoA1 LYS 156 HE2 -0.02 -0.19 -0.13 -0.04 2.99 2.61 1zyoA1 LYS 156 HE3 -0.02 0.05 -0.13 -0.04 2.99 2.86 1zyoA1 SER 157 H -0.06 0.91 0.15 -0.55 8.46 8.91 1zyoA1 SER 157 HA -0.12 0.06 0.77 -0.75 4.49 4.45 1zyoA1 SER 157 HB2 -0.12 0.14 -0.15 -0.04 3.95 3.79 1zyoA1 SER 157 HB3 -0.07 -0.08 0.13 -0.04 3.93 3.86 1zyoA1 GLY 158 H -0.08 0.11 -0.03 -0.55 8.43 7.89 1zyoA1 GLY 158 HA2 -0.05 0.02 0.28 -0.51 4.01 3.75 1zyoA1 GLY 158 HA3 -0.04 0.09 0.57 -0.51 4.01 4.12 1zyoA1 PRO 159 HA -0.02 0.08 0.41 -0.51 4.44 4.41 1zyoA1 PRO 159 HB2 -0.00 0.02 0.02 -0.04 2.28 2.28 1zyoA1 PRO 159 HB3 -0.01 -0.01 0.09 -0.04 2.02 2.05 1zyoA1 PRO 159 HG2 -0.01 0.05 0.07 -0.04 2.03 2.10 1zyoA1 PRO 159 HG3 -0.01 0.01 0.08 -0.04 2.03 2.07 1zyoA1 PRO 159 HD2 -0.03 0.21 0.32 -0.04 3.68 4.15 1zyoA1 PRO 159 HD3 -0.02 0.05 0.21 -0.04 3.65 3.85 1zyoA1 THR 160 H -0.03 0.46 -0.26 -0.55 8.28 7.91 1zyoA1 THR 160 HA -0.00 0.09 0.37 -0.75 4.39 4.09 1zyoA1 THR 160 HB -0.02 0.03 0.09 -0.04 4.32 4.37 1zyoA1 THR 160 HG23 0.01 0.02 -0.15 -0.04 1.22 1.06 1zyoA1 THR 161 H -0.01 0.23 0.19 -0.55 8.28 8.14 1zyoA1 THR 161 HA -0.11 0.15 0.74 -0.75 4.39 4.42 1zyoA1 THR 161 HB -0.02 0.02 0.14 -0.04 4.32 4.42 1zyoA1 THR 161 HG23 -0.39 -0.02 -0.11 -0.04 1.22 0.66 1zyoA1 ILE 162 H -0.08 0.69 0.35 -0.55 8.25 8.66 1zyoA1 ILE 162 HA 0.02 0.08 0.73 -0.75 4.18 4.26 1zyoA1 ILE 162 HB -0.00 -0.04 0.15 -0.04 1.89 1.95 1zyoA1 ILE 162 HG12 -0.07 0.03 -0.15 -0.04 1.49 1.25 1zyoA1 ILE 162 HG13 -0.04 -0.03 -0.16 -0.04 1.21 0.94 1zyoA1 ILE 162 HG23 -0.02 -0.00 -0.08 -0.04 0.93 0.78 1zyoA1 ILE 162 HD13 -0.13 0.04 -0.15 -0.04 0.88 0.60 1zyoA1 GLY 163 H -0.18 0.20 0.07 -0.55 8.43 7.98 1zyoA1 GLY 163 HA2 0.15 0.33 0.36 -0.51 4.01 4.33 1zyoA1 GLY 163 HA3 0.06 0.09 0.69 -0.51 4.01 4.34 1zyoA1 PHE 164 H 0.27 0.80 0.30 -0.55 8.34 9.15 1zyoA1 PHE 164 HA 0.08 0.12 1.06 -0.75 4.62 5.13 1zyoA1 PHE 164 HB2 0.07 -0.06 -0.14 -0.04 3.15 2.97 1zyoA1 PHE 164 HB3 0.05 0.05 0.14 -0.04 3.06 3.25 1zyoA1 PHE 164 HD2 0.01 0.05 -0.12 -0.04 7.28 7.17 1zyoA1 PHE 164 HE2 -0.13 0.04 -0.14 -0.04 7.38 7.12 1zyoA1 PHE 164 HZ -0.17 -0.09 -0.25 -0.04 7.32 6.77 1zyoA1 GLY 165 H 0.27 0.54 0.41 -0.55 8.43 9.10 1zyoA1 GLY 165 HA2 0.13 0.36 0.75 -0.51 4.01 4.74 1zyoA1 GLY 165 HA3 0.15 -0.07 0.35 -0.51 4.01 3.93 1zyoA1 CYS 166 H 0.05 0.43 0.39 -0.55 8.50 8.82 1zyoA1 CYS 166 HA 0.01 0.35 0.74 -0.75 4.58 4.93 1zyoA1 CYS 166 HB2 -0.04 0.02 0.04 -0.04 2.97 2.95 1zyoA1 CYS 166 HB3 -0.02 -0.02 -0.09 -0.04 2.97 2.79 1zyoA1 ARG 167 H -0.26 0.36 0.21 -0.55 8.46 8.23 1zyoA1 ARG 167 HA -0.52 0.24 0.98 -0.75 4.34 4.28 1zyoA1 ARG 167 HB2 -1.24 0.06 -0.00 -0.04 1.90 0.68 1zyoA1 ARG 167 HB3 -0.60 -0.01 -0.15 -0.04 1.80 1.00 1zyoA1 ARG 167 HG2 -0.83 0.01 -0.03 -0.04 1.67 0.79 1zyoA1 ARG 167 HG3 -2.88 -0.03 -0.07 -0.04 1.67 -1.35 1zyoA1 ARG 167 HD2 -1.26 0.11 -0.25 -0.04 3.22 1.78 1zyoA1 ARG 167 HD3 -0.64 -0.14 -0.28 -0.04 3.22 2.12 1zyoA1 THR 168 H -0.20 0.84 0.43 -0.55 8.28 8.80 1zyoA1 THR 168 HA -0.14 -0.02 0.58 -0.75 4.39 4.05 1zyoA1 THR 168 HB -0.09 0.10 -0.18 -0.04 4.32 4.11 1zyoA1 THR 168 HG23 -0.06 -0.01 -0.24 -0.04 1.22 0.87 1zyoA1 LYS 169 H -0.06 0.21 0.16 -0.55 8.42 8.17 1zyoA1 LYS 169 HA -0.05 0.27 1.06 -0.75 4.32 4.84 1zyoA1 ILE 170 H -0.04 0.55 0.11 -0.55 8.25 8.32 1zyoA1 ILE 170 HA -0.07 0.18 0.65 -0.75 4.18 4.19 1zyoA1 ILE 170 HB -0.05 -0.01 -0.12 -0.04 1.89 1.67 1zyoA1 ILE 170 HG12 -0.09 0.01 -0.02 -0.04 1.49 1.35 1zyoA1 ILE 170 HG13 -0.06 0.09 -0.49 -0.04 1.21 0.71 1zyoA1 ILE 170 HG23 -0.08 -0.00 -0.03 -0.04 0.93 0.77 1zyoA1 ILE 170 HD13 -0.08 -0.02 -0.17 -0.04 0.88 0.57 1zyoA1 GLU 173 HA -0.02 -0.03 0.23 -0.75 4.29 3.71 1zyoA1 ASP 174 H -0.01 0.10 0.16 -0.55 8.40 8.10 1zyoA1 ASP 174 HA -0.04 0.23 0.85 -0.75 4.63 4.92 1zyoA1 ASP 174 HB2 -0.02 -0.02 0.05 -0.04 2.71 2.68 1zyoA1 ASP 174 HB3 0.02 -0.06 0.16 -0.04 2.70 2.78 1zyoA1 CYS 175 H -0.04 0.85 0.44 -0.55 8.50 9.20 1zyoA1 CYS 175 HA 0.12 0.12 0.92 -0.75 4.58 4.98 1zyoA1 CYS 175 HB2 -0.00 0.07 -0.02 -0.04 2.97 2.98 1zyoA1 CYS 175 HB3 -0.00 -0.01 -0.43 -0.04 2.97 2.48 1zyoA1 LEU 176 H 0.17 0.45 0.34 -0.55 8.37 8.78 1zyoA1 LEU 176 HA 0.18 0.33 0.91 -0.75 4.35 5.02 1zyoA1 LEU 176 HB2 0.53 0.00 0.05 -0.04 1.64 2.17 1zyoA1 LEU 176 HB3 -0.03 -0.03 0.17 -0.04 1.64 1.71 1zyoA1 LEU 176 HG -0.08 -0.03 -0.48 -0.04 1.64 1.00 1zyoA1 LEU 176 HD13 0.23 0.03 -0.19 -0.04 0.93 0.96 1zyoA1 LEU 176 HD23 -0.35 -0.01 -0.16 -0.04 0.89 0.32 1zyoA1 LEU 177 H 0.02 0.66 0.29 -0.55 8.37 8.79 1zyoA1 LEU 177 HA 0.00 0.26 1.12 -0.75 4.35 4.98 1zyoA1 LEU 177 HB2 -0.02 -0.03 -0.05 -0.04 1.64 1.51 1zyoA1 LEU 177 HB3 -0.01 0.00 0.09 -0.04 1.64 1.68 1zyoA1 LEU 177 HG 0.04 0.04 -0.31 -0.04 1.64 1.37 1zyoA1 LEU 177 HD13 0.04 0.01 -0.03 -0.04 0.93 0.91 1zyoA1 LEU 177 HD23 -0.01 -0.02 -0.11 -0.04 0.89 0.71 1zyoA1 THR 178 H 0.04 0.56 0.31 -0.55 8.28 8.65 1zyoA1 THR 178 HA 0.10 0.25 0.77 -0.75 4.39 4.76 1zyoA1 THR 178 HB 0.11 0.01 -0.10 -0.04 4.32 4.29 1zyoA1 THR 178 HG23 0.13 0.03 -0.17 -0.04 1.22 1.17 1zyoA1 ALA 179 H 0.09 0.22 0.18 -0.55 8.40 8.34 1zyoA1 ALA 179 HA 0.15 0.41 0.68 -0.75 4.34 4.83 1zyoA1 ALA 179 HB3 -0.02 0.00 0.12 -0.04 1.41 1.47 1zyoA1 HIS 180 H 0.21 0.23 -0.59 -0.55 8.41 7.72 1zyoA1 HIS 180 HA 0.10 0.13 0.19 -0.75 4.63 4.29 1zyoA1 HIS 180 HB2 -0.08 0.19 0.06 -0.04 3.26 3.40 1zyoA1 HIS 180 HB3 0.03 -0.06 0.07 -0.04 3.20 3.20 1zyoA1 HIS 180 HD2 -0.05 0.01 -0.16 -0.04 6.97 6.73 1zyoA1 HIS 180 HE1 0.03 0.08 -0.17 -0.04 7.75 7.64 1zyoA1 HIS 181 H 0.21 0.13 -0.24 -0.55 8.41 7.96 1zyoA1 HIS 181 HA 0.07 0.08 0.39 -0.75 4.63 4.41 1zyoA1 HIS 181 HB2 0.10 0.08 0.03 -0.04 3.26 3.43 1zyoA1 HIS 181 HB3 0.15 -0.02 0.02 -0.04 3.20 3.31 1zyoA1 HIS 181 HD2 0.10 -0.02 0.05 -0.04 6.97 7.05 1zyoA1 HIS 181 HE1 0.11 -0.04 0.01 -0.04 7.75 7.78 1zyoA1 VAL 182 H -0.23 0.03 -0.41 -0.55 8.24 7.08 1zyoA1 VAL 182 HA -0.06 0.17 0.53 -0.75 4.13 4.01 1zyoA1 VAL 182 HB 0.04 0.02 0.05 -0.04 2.12 2.19 1zyoA1 VAL 182 HG13 0.08 0.02 -0.35 -0.04 0.97 0.68 1zyoA1 VAL 182 HG23 -0.19 0.09 0.02 -0.04 0.95 0.82 1zyoA1 TRP 183 H 0.17 0.37 -0.17 -0.55 7.97 7.79 1zyoA1 TRP 183 HA -0.05 0.14 0.30 -0.75 4.62 4.26 1zyoA1 TRP 183 HB2 -0.00 -0.01 -0.07 -0.04 3.23 3.10 1zyoA1 TRP 183 HB3 -0.06 -0.03 -0.08 -0.04 3.23 3.03 1zyoA1 TRP 183 HD1 -0.02 -0.02 -0.19 -0.04 7.22 6.94 1zyoA1 TRP 183 HE1 0.03 0.02 -0.09 -0.04 10.20 10.12 1zyoA1 TRP 183 HE3 0.03 -0.01 -0.18 -0.04 7.59 7.39 1zyoA1 TRP 183 HZ2 0.07 0.01 -0.09 -0.04 7.44 7.39 1zyoA1 TRP 183 HZ3 0.07 -0.00 -0.15 -0.04 7.13 7.02 1zyoA1 TRP 183 HH2 0.13 -0.03 -0.14 -0.04 7.19 7.10 1zyoA1 CYS 184 H -0.12 0.36 -0.17 -0.55 8.50 8.02 1zyoA1 CYS 184 HA -0.16 0.25 0.92 -0.75 4.58 4.83 1zyoA1 CYS 184 HB2 -1.02 0.06 0.00 -0.04 2.97 1.97 1zyoA1 CYS 184 HB3 -0.22 -0.04 -0.01 -0.04 2.97 2.65 1zyoA1 ASN 185 H -0.06 0.11 -0.05 -0.55 8.53 7.98 1zyoA1 ASN 185 HA 0.01 0.23 0.95 -0.75 4.76 5.19 1zyoA1 SER 186 H -0.04 0.08 -0.22 -0.55 8.46 7.74 1zyoA1 SER 186 HA 0.02 0.09 0.82 -0.75 4.49 4.66 1zyoA1 SER 186 HB2 -0.05 0.26 0.07 -0.04 3.95 4.20 1zyoA1 SER 186 HB3 -0.01 -0.20 0.20 -0.04 3.93 3.89 1zyoA1 MET 187 H -0.04 0.04 0.08 -0.55 8.47 8.01 1zyoA1 MET 187 HA -0.07 0.04 0.54 -0.75 4.52 4.28 1zyoA1 MET 187 HB2 -0.05 -0.01 0.09 -0.04 2.15 2.13 1zyoA1 MET 187 HB3 -0.07 0.05 -0.02 -0.04 2.03 1.94 1zyoA1 MET 187 HG2 -0.04 0.01 0.04 -0.04 2.63 2.60 1zyoA1 MET 187 HG3 -0.03 -0.02 0.04 -0.04 2.56 2.51 1zyoA1 MET 187 HE3 -0.02 -0.00 0.01 -0.04 2.10 2.05 1zyoA1 ARG 188 H -0.12 0.00 0.07 -0.55 8.46 7.86 1zyoA1 ARG 188 HA -0.28 0.17 0.14 -0.75 4.34 3.62 1zyoA1 ARG 188 HB2 -0.16 -0.11 0.04 -0.04 1.90 1.63 1zyoA1 ARG 188 HB3 -0.24 0.13 -0.02 -0.04 1.80 1.63 1zyoA1 ARG 188 HG2 -0.16 0.08 0.03 -0.04 1.67 1.57 1zyoA1 ARG 188 HG3 -0.12 -0.07 0.09 -0.04 1.67 1.52 1zyoA1 ARG 188 HD2 -0.11 -0.06 0.01 -0.04 3.22 3.03 1zyoA1 ARG 188 HD3 -0.13 0.03 -0.00 -0.04 3.22 3.07 1zyoA1 PRO 189 HA -0.31 0.18 0.64 -0.51 4.44 4.44 1zyoA1 PRO 189 HB2 -1.10 -0.06 0.02 -0.04 2.28 1.10 1zyoA1 PRO 189 HB3 -0.79 -0.01 0.03 -0.04 2.02 1.21 1zyoA1 PRO 189 HG2 -2.39 0.00 0.08 -0.04 2.03 -0.31 1zyoA1 PRO 189 HG3 -0.89 0.11 0.04 -0.04 2.03 1.26 1zyoA1 PRO 189 HD2 -0.67 0.01 0.19 -0.04 3.68 3.17 1zyoA1 PRO 189 HD3 -0.52 0.23 0.06 -0.04 3.65 3.38 1zyoA1 THR 190 H -0.18 0.58 0.46 -0.55 8.28 8.59 1zyoA1 THR 190 HA -0.23 0.24 1.00 -0.75 4.39 4.65 1zyoA1 THR 190 HB -0.11 -0.04 0.12 -0.04 4.32 4.24 1zyoA1 THR 190 HG23 -0.14 0.06 -0.13 -0.04 1.22 0.97 1zyoA1 GLY 191 H -0.10 0.35 0.27 -0.55 8.43 8.40 1zyoA1 GLY 191 HA2 -0.02 0.17 0.80 -0.51 4.01 4.45 1zyoA1 GLY 191 HA3 -0.02 -0.01 0.20 -0.51 4.01 3.67 1zyoA1 LEU 192 H 0.09 0.75 0.33 -0.55 8.37 9.00 1zyoA1 LEU 192 HA 0.12 0.28 1.04 -0.75 4.35 5.03 1zyoA1 LEU 192 HB2 0.13 -0.03 0.05 -0.04 1.64 1.75 1zyoA1 LEU 192 HB3 0.15 0.05 -0.07 -0.04 1.64 1.72 1zyoA1 LEU 192 HG 0.40 -0.04 -0.20 -0.04 1.64 1.76 1zyoA1 LEU 192 HD13 -0.06 -0.01 -0.15 -0.04 0.93 0.66 1zyoA1 LEU 192 HD23 0.33 0.03 -0.12 -0.04 0.89 1.09 1zyoA1 ALA 193 H 0.06 0.71 0.31 -0.55 8.40 8.93 1zyoA1 ALA 193 HA 0.05 0.40 1.10 -0.75 4.34 5.14 1zyoA1 ALA 193 HB3 0.01 -0.05 -0.09 -0.04 1.41 1.24 1zyoA1 LYS 194 H 0.06 0.68 0.15 -0.55 8.42 8.76 1zyoA1 LYS 194 HA 0.07 0.03 0.60 -0.75 4.32 4.27 1zyoA1 LYS 194 HB2 0.10 0.02 -0.06 -0.04 1.87 1.89 1zyoA1 LYS 194 HB3 0.07 0.08 0.07 -0.04 1.79 1.98 1zyoA1 LYS 194 HG2 0.03 -0.06 -0.15 -0.04 1.46 1.24 1zyoA1 LYS 194 HG3 0.04 -0.05 0.07 -0.04 1.46 1.48 1zyoA1 LYS 194 HD2 0.07 0.17 -0.08 -0.04 1.69 1.80 1zyoA1 LYS 194 HD3 0.06 0.01 -0.26 -0.04 1.68 1.45 1zyoA1 LYS 194 HE2 -0.01 0.14 -0.02 -0.04 2.99 3.06 1zyoA1 LYS 194 HE3 -0.01 -0.12 -0.06 -0.04 2.99 2.76 1zyoA1 ALA 195 H 0.04 0.24 0.04 -0.55 8.40 8.17 1zyoA1 ALA 195 HA 0.03 0.05 0.25 -0.75 4.34 3.92 1zyoA1 ALA 195 HB3 0.01 0.05 0.04 -0.04 1.41 1.47 1zyoA1 GLY 196 H 0.03 -0.03 -0.32 -0.55 8.43 7.57 1zyoA1 GLY 196 HA2 0.02 -0.10 0.25 -0.51 4.01 3.67 1zyoA1 GLY 196 HA3 0.02 0.13 0.36 -0.51 4.01 4.01 1zyoA1 LYS 197 H 0.03 0.51 -0.65 -0.55 8.42 7.75 1zyoA1 LYS 197 HA 0.03 0.06 0.71 -0.75 4.32 4.37 1zyoA1 LYS 197 HB2 0.05 0.13 0.15 -0.04 1.87 2.15 1zyoA1 LYS 197 HB3 0.04 0.02 0.06 -0.04 1.79 1.88 1zyoA1 LYS 197 HG2 0.03 -0.06 0.05 -0.04 1.46 1.44 1zyoA1 LYS 197 HG3 0.03 0.00 0.02 -0.04 1.46 1.47 1zyoA1 LYS 197 HD2 0.03 -0.08 0.03 -0.04 1.69 1.62 1zyoA1 LYS 197 HD3 0.04 0.15 0.08 -0.04 1.68 1.90 1zyoA1 LYS 197 HE2 0.04 0.14 0.08 -0.04 2.99 3.21 1zyoA1 LYS 197 HE3 0.03 -0.11 0.03 -0.04 2.99 2.89 1zyoA1 GLN 198 H 0.03 0.25 0.20 -0.55 8.47 8.41 1zyoA1 GLN 198 HA 0.04 0.28 0.93 -0.75 4.36 4.86 1zyoA1 GLN 198 HB2 0.02 -0.00 -0.22 -0.04 2.15 1.90 1zyoA1 GLN 198 HB3 0.02 -0.02 0.02 -0.04 2.02 2.00 1zyoA1 GLN 198 HG2 0.01 -0.04 -0.15 -0.04 2.40 2.17 1zyoA1 GLN 198 HG3 0.02 0.03 -0.22 -0.04 2.39 2.18 1zyoA1 GLN 198 HE21 -0.00 -0.03 -0.19 -0.04 6.97 6.71 1zyoA1 GLN 198 HE22 0.01 0.00 -0.18 -0.04 7.69 7.48 1zyoA1 VAL 199 H 0.06 0.65 0.33 -0.55 8.24 8.73 1zyoA1 VAL 199 HA 0.06 0.09 0.54 -0.75 4.13 4.06 1zyoA1 VAL 199 HB 0.12 0.05 0.02 -0.04 2.12 2.27 1zyoA1 VAL 199 HG13 0.06 0.01 -0.05 -0.04 0.97 0.95 1zyoA1 VAL 199 HG23 0.08 -0.01 -0.04 -0.04 0.95 0.94 1zyoA1 SER 200 H 0.05 0.08 0.12 -0.55 8.46 8.16 1zyoA1 SER 200 HA -0.04 0.24 0.71 -0.75 4.49 4.66 1zyoA1 SER 200 HB2 -0.08 0.12 0.11 -0.04 3.95 4.07 1zyoA1 SER 200 HB3 -0.03 -0.03 0.11 -0.04 3.93 3.94 1zyoA1 VAL 201 H -0.22 0.59 0.08 -0.55 8.24 8.14 1zyoA1 VAL 201 HA -1.28 0.05 0.73 -0.75 4.13 2.88 1zyoA1 VAL 201 HB -0.41 0.06 -0.20 -0.04 2.12 1.53 1zyoA1 VAL 201 HG13 -0.85 0.01 -0.14 -0.04 0.97 -0.05 1zyoA1 VAL 201 HG23 -0.12 -0.03 -0.37 -0.04 0.95 0.40 1zyoA1 GLU 202 H -1.53 0.10 0.08 -0.55 8.60 6.70 1zyoA1 GLU 202 HA -0.31 0.20 0.75 -0.75 4.29 4.18 1zyoA1 GLU 202 HB2 0.01 0.02 -0.06 -0.04 2.09 2.02 1zyoA1 GLU 202 HB3 -0.05 -0.03 0.12 -0.04 1.99 1.98 1zyoA1 GLU 202 HG2 0.05 0.02 -0.15 -0.04 2.34 2.22 1zyoA1 GLU 202 HG3 0.22 -0.01 -0.04 -0.04 2.34 2.47 1zyoA1 ASP 203 H -0.10 0.11 0.07 -0.55 8.40 7.93 1zyoA1 ASP 203 HA -0.09 0.14 0.40 -0.75 4.63 4.33 1zyoA1 ASP 203 HB2 0.02 0.04 0.09 -0.04 2.71 2.81 1zyoA1 ASP 203 HB3 -0.04 0.00 0.11 -0.04 2.70 2.74 1zyoA1 TRP 204 H -0.05 0.51 0.32 -0.55 7.97 8.21 1zyoA1 TRP 204 HA 0.02 0.06 0.65 -0.75 4.62 4.60 1zyoA1 TRP 204 HB2 0.13 -0.02 -0.02 -0.04 3.23 3.28 1zyoA1 TRP 204 HB3 -0.02 0.21 -0.03 -0.04 3.23 3.35 1zyoA1 TRP 204 HD1 -0.01 0.02 -0.31 -0.04 7.22 6.88 1zyoA1 TRP 204 HE1 -0.04 -0.02 -0.02 -0.04 10.20 10.07 1zyoA1 TRP 204 HE3 0.06 0.01 -0.13 -0.04 7.59 7.49 1zyoA1 TRP 204 HZ2 -0.11 0.08 0.07 -0.04 7.44 7.44 1zyoA1 TRP 204 HZ3 0.04 0.02 -0.14 -0.04 7.13 7.01 1zyoA1 TRP 204 HH2 -0.12 0.07 -0.13 -0.04 7.19 6.97 1zyoA1 GLU 205 H 0.18 0.16 0.21 -0.55 8.60 8.60 1zyoA1 GLU 205 HA 0.13 0.08 0.35 -0.75 4.29 4.09 1zyoA1 ILE 206 H 0.12 0.19 0.13 -0.55 8.25 8.13 1zyoA1 ILE 206 HA 0.02 0.16 0.86 -0.75 4.18 4.47 1zyoA1 ILE 206 HB 0.11 -0.02 0.12 -0.04 1.89 2.06 1zyoA1 ILE 206 HG12 0.31 -0.01 -0.08 -0.04 1.49 1.66 1zyoA1 ILE 206 HG13 0.20 0.02 -0.14 -0.04 1.21 1.25 1zyoA1 ILE 206 HG23 0.08 -0.03 -0.21 -0.04 0.93 0.73 1zyoA1 ILE 206 HD13 0.25 0.01 0.01 -0.04 0.88 1.11 1zyoA1 SER 207 H 0.02 0.31 0.16 -0.55 8.46 8.40 1zyoA1 SER 207 HA 0.03 0.01 0.39 -0.75 4.49 4.17 1zyoA1 SER 207 HB2 0.01 -0.03 0.02 -0.04 3.95 3.91 1zyoA1 SER 207 HB3 0.02 0.03 0.05 -0.04 3.93 3.99 1zyoA1 MET 208 H 0.09 0.24 0.08 -0.55 8.47 8.33 1zyoA1 MET 208 HA 0.10 0.19 0.46 -0.75 4.52 4.52 1zyoA1 MET 208 HB2 0.12 -0.03 -0.20 -0.04 2.15 2.00 1zyoA1 MET 208 HB3 0.37 -0.06 -0.11 -0.04 2.03 2.19 1zyoA1 MET 208 HG2 0.07 0.25 0.14 -0.04 2.63 3.06 1zyoA1 MET 208 HG3 0.11 -0.05 0.02 -0.04 2.56 2.59 1zyoA1 MET 208 HE3 0.17 -0.02 -0.01 -0.04 2.10 2.21 1zyoA1 SER 209 H 0.06 0.33 0.17 -0.55 8.46 8.48 1zyoA1 SER 209 HA -0.32 0.19 0.54 -0.75 4.49 4.15 1zyoA1 SER 209 HB2 0.16 0.03 0.09 -0.04 3.95 4.19 1zyoA1 SER 209 HB3 0.09 0.05 -0.17 -0.04 3.93 3.86 1zyoA1 SER 210 H -0.89 0.45 0.28 -0.55 8.46 7.76 1zyoA1 SER 210 HA -0.31 0.18 0.62 -0.75 4.49 4.23 1zyoA1 SER 210 HB2 -0.29 0.18 0.07 -0.04 3.95 3.87 1zyoA1 SER 210 HB3 -0.76 -0.02 0.07 -0.04 3.93 3.18 1zyoA1 SER 211 H -0.34 0.25 0.06 -0.55 8.46 7.89 1zyoA1 SER 211 HA -0.71 0.15 0.71 -0.75 4.49 3.88 1zyoA1 SER 211 HB2 -0.34 0.05 0.13 -0.04 3.95 3.74 1zyoA1 SER 211 HB3 -0.85 0.06 0.00 -0.04 3.93 3.11 1zyoA1 ASP 212 H -0.19 0.02 -0.31 -0.55 8.40 7.38 1zyoA1 ASP 212 HA -0.09 0.18 0.73 -0.75 4.63 4.69 1zyoA1 ASP 212 HB2 -0.11 0.09 0.10 -0.04 2.71 2.75 1zyoA1 ASP 212 HB3 -0.09 -0.10 0.13 -0.04 2.70 2.60 1zyoA1 LYS 213 H -0.03 0.26 0.15 -0.55 8.42 8.23 1zyoA1 LYS 213 HA 0.02 0.08 0.32 -0.75 4.32 4.00 1zyoA1 LYS 213 HB2 0.00 0.05 0.13 -0.04 1.87 2.01 1zyoA1 LYS 213 HB3 0.00 -0.05 0.08 -0.04 1.79 1.78 1zyoA1 MET 214 H -0.00 -0.08 -0.64 -0.55 8.47 7.21 1zyoA1 MET 214 HA 0.13 0.19 0.35 -0.75 4.52 4.44 1zyoA1 MET 214 HB2 -0.04 -0.06 -0.04 -0.04 2.15 1.97 1zyoA1 MET 214 HB3 0.30 0.03 -0.01 -0.04 2.03 2.31 1zyoA1 MET 214 HG2 0.03 -0.08 -0.07 -0.04 2.63 2.46 1zyoA1 MET 214 HG3 0.13 0.01 -0.05 -0.04 2.56 2.62 1zyoA1 MET 214 HE3 0.14 0.01 -0.03 -0.04 2.10 2.18 1zyoA1 LEU 215 H 0.04 0.39 -0.14 -0.55 8.37 8.12 1zyoA1 LEU 215 HA 0.25 0.22 0.83 -0.75 4.35 4.90 1zyoA1 LEU 215 HB2 0.02 -0.16 0.10 -0.04 1.64 1.57 1zyoA1 LEU 215 HB3 0.41 0.01 -0.05 -0.04 1.64 1.97 1zyoA1 LEU 215 HG -0.06 -0.11 -0.20 -0.04 1.64 1.23 1zyoA1 LEU 215 HD13 0.03 -0.00 -0.04 -0.04 0.93 0.87 1zyoA1 LEU 215 HD23 0.18 0.06 -0.12 -0.04 0.89 0.96 1zyoA1 ASP 216 H -0.01 0.15 0.06 -0.55 8.40 8.04 1zyoA1 ASP 216 HA 0.04 0.12 0.45 -0.75 4.63 4.48 1zyoA1 ASP 216 HB2 0.11 0.12 -0.19 -0.04 2.71 2.70 1zyoA1 ASP 216 HB3 0.16 0.13 -0.17 -0.04 2.70 2.77 1zyoA1 PHE 217 H -0.26 0.22 0.23 -0.55 8.34 7.97 1zyoA1 PHE 217 HA 0.10 0.29 1.02 -0.75 4.62 5.28 1zyoA1 PHE 217 HB2 0.06 0.06 0.03 -0.04 3.15 3.26 1zyoA1 PHE 217 HB3 0.08 0.17 -0.20 -0.04 3.06 3.07 1zyoA1 PHE 217 HD2 0.06 0.09 -0.42 -0.04 7.28 6.96 1zyoA1 PHE 217 HE2 0.03 -0.01 -0.32 -0.04 7.38 7.03 1zyoA1 PHE 217 HZ 0.01 0.07 -0.24 -0.04 7.32 7.12 1zyoA1 ALA 218 H 0.24 0.78 0.20 -0.55 8.40 9.07 1zyoA1 ALA 218 HA 0.16 0.20 0.70 -0.75 4.34 4.65 1zyoA1 ALA 218 HB3 0.07 0.00 -0.13 -0.04 1.41 1.31 1zyoA1 ILE 219 H 0.12 0.73 0.25 -0.55 8.25 8.80 1zyoA1 ILE 219 HA -0.01 0.29 0.93 -0.75 4.18 4.63 1zyoA1 ILE 219 HB 0.08 -0.15 0.17 -0.04 1.89 1.95 1zyoA1 ILE 219 HG12 -0.02 0.05 -0.11 -0.04 1.49 1.36 1zyoA1 ILE 219 HG13 0.19 -0.11 -0.37 -0.04 1.21 0.88 1zyoA1 ILE 219 HG23 -0.01 0.01 -0.14 -0.04 0.93 0.74 1zyoA1 ILE 219 HD13 -0.11 -0.01 -0.16 -0.04 0.88 0.56 1zyoA1 VAL 220 H -0.14 0.69 0.32 -0.55 8.24 8.56 1zyoA1 VAL 220 HA -0.11 0.22 1.07 -0.75 4.13 4.55 1zyoA1 VAL 220 HB -0.51 -0.04 0.01 -0.04 2.12 1.55 1zyoA1 VAL 220 HG13 -0.06 0.01 -0.35 -0.04 0.97 0.53 1zyoA1 VAL 220 HG23 -1.25 0.01 -0.30 -0.04 0.95 -0.63 1zyoA1 ARG 221 H -0.02 0.70 0.26 -0.55 8.46 8.84 1zyoA1 ARG 221 HA -0.08 0.17 0.94 -0.75 4.34 4.62 1zyoA1 ARG 221 HB2 -0.02 -0.02 0.26 -0.04 1.90 2.08 1zyoA1 ARG 221 HB3 -0.07 -0.02 0.06 -0.04 1.80 1.73 1zyoA1 ARG 221 HG2 -0.02 0.15 0.04 -0.04 1.67 1.80 1zyoA1 ARG 221 HG3 -0.02 -0.06 -0.08 -0.04 1.67 1.47 1zyoA1 ARG 221 HD2 0.00 -0.02 0.00 -0.04 3.22 3.17 1zyoA1 ARG 221 HD3 -0.01 -0.03 0.02 -0.04 3.22 3.15 1zyoA1 VAL 222 H -0.26 0.22 0.12 -0.55 8.24 7.77 1zyoA1 VAL 222 HA -1.61 0.13 0.63 -0.75 4.13 2.52 1zyoA1 VAL 222 HB -1.24 -0.02 0.02 -0.04 2.12 0.85 1zyoA1 VAL 222 HG13 -1.91 0.06 -0.13 -0.04 0.97 -1.05 1zyoA1 VAL 222 HG23 -0.72 0.02 -0.12 -0.04 0.95 0.09 1zyoA1 PRO 223 HA -0.29 0.07 0.48 -0.51 4.44 4.20 1zyoA1 PRO 223 HB2 -0.84 -0.12 0.07 -0.04 2.28 1.35 1zyoA1 PRO 223 HB3 -0.17 0.04 0.13 -0.04 2.02 1.98 1zyoA1 PRO 223 HG2 -0.15 0.04 0.08 -0.04 2.03 1.96 1zyoA1 PRO 223 HG3 -0.21 0.09 0.09 -0.04 2.03 1.96 1zyoA1 PRO 223 HD2 -1.75 0.08 0.20 -0.04 3.68 2.17 1zyoA1 PRO 223 HD3 -1.35 0.29 0.25 -0.04 3.65 2.80 1zyoA1 THR 224 H -0.11 0.16 0.19 -0.55 8.28 7.97 1zyoA1 THR 224 HA 0.08 0.17 0.31 -0.75 4.39 4.19 1zyoA1 THR 224 HB 0.07 0.07 0.12 -0.04 4.32 4.54 1zyoA1 THR 224 HG23 0.03 0.00 0.05 -0.04 1.22 1.26 1zyoA1 HIS 225 H -0.13 0.06 -0.23 -0.55 8.41 7.56 1zyoA1 HIS 225 HA 0.01 0.14 0.53 -0.75 4.63 4.55 1zyoA1 HIS 225 HB2 -0.00 0.06 0.04 -0.04 3.26 3.32 1zyoA1 HIS 225 HB3 -0.01 0.01 0.07 -0.04 3.20 3.22 1zyoA1 HIS 225 HD2 -0.04 -0.02 0.02 -0.04 6.97 6.88 1zyoA1 HIS 225 HE1 0.03 0.05 -0.03 -0.04 7.75 7.76 1zyoA1 VAL 226 H -0.89 0.15 -0.26 -0.55 8.24 6.69 1zyoA1 VAL 226 HA -0.11 0.06 0.39 -0.75 4.13 3.71 1zyoA1 VAL 226 HB -0.86 0.19 0.01 -0.04 2.12 1.42 1zyoA1 VAL 226 HG13 -0.25 0.01 -0.15 -0.04 0.97 0.54 1zyoA1 VAL 226 HG23 -0.55 -0.03 0.02 -0.04 0.95 0.35 1zyoA1 TRP 227 H -0.28 0.25 -0.29 -0.55 7.97 7.10 1zyoA1 TRP 227 HA -0.07 0.06 0.39 -0.75 4.62 4.23 1zyoA1 TRP 227 HB2 -0.10 0.13 0.08 -0.04 3.23 3.30 1zyoA1 TRP 227 HB3 -0.07 0.17 -0.01 -0.04 3.23 3.28 1zyoA1 TRP 227 HD1 -0.14 -0.05 -0.07 -0.04 7.22 6.92 1zyoA1 TRP 227 HE1 -0.18 -0.01 -0.16 -0.04 10.20 9.81 1zyoA1 TRP 227 HE3 -0.05 -0.01 -0.06 -0.04 7.59 7.43 1zyoA1 TRP 227 HZ2 -0.16 -0.08 -0.25 -0.04 7.44 6.90 1zyoA1 TRP 227 HZ3 -0.02 0.04 -0.17 -0.04 7.13 6.94 1zyoA1 TRP 227 HH2 -0.07 -0.01 -0.14 -0.04 7.19 6.93 1zyoA1 SER 228 H 0.12 0.24 -0.35 -0.55 8.46 7.93 1zyoA1 SER 228 HA 0.10 0.10 0.60 -0.75 4.49 4.53 1zyoA1 SER 228 HB2 0.06 -0.02 0.01 -0.04 3.95 3.97 1zyoA1 SER 228 HB3 0.08 -0.00 0.07 -0.04 3.93 4.03 1zyoA1 LYS 229 H 0.08 0.76 0.09 -0.55 8.42 8.79 1zyoA1 LYS 229 HA 0.06 0.01 0.53 -0.75 4.32 4.17 1zyoA1 LYS 229 HB2 0.06 0.07 0.17 -0.04 1.87 2.12 1zyoA1 LYS 229 HB3 0.07 -0.00 -0.01 -0.04 1.79 1.80 1zyoA1 LYS 229 HG2 0.08 -0.02 0.05 -0.04 1.46 1.52 1zyoA1 LYS 229 HG3 0.11 0.03 0.03 -0.04 1.46 1.59 1zyoA1 LEU 230 H 0.10 0.22 -0.56 -0.55 8.37 7.59 1zyoA1 LEU 230 HA 0.07 0.10 0.55 -0.75 4.35 4.31 1zyoA1 LEU 230 HB2 0.18 0.07 0.02 -0.04 1.64 1.87 1zyoA1 LEU 230 HB3 0.15 0.01 -0.18 -0.04 1.64 1.58 1zyoA1 LEU 230 HG 0.14 -0.06 -0.25 -0.04 1.64 1.43 1zyoA1 LEU 230 HD13 0.08 0.02 -0.22 -0.04 0.93 0.76 1zyoA1 LEU 230 HD23 0.06 0.03 -0.28 -0.04 0.89 0.66 1zyoA1 GLY 231 H 0.10 0.13 -0.17 -0.55 8.43 7.94 1zyoA1 GLY 231 HA2 0.05 -0.02 0.30 -0.51 4.01 3.82 1zyoA1 GLY 231 HA3 0.04 0.06 0.58 -0.51 4.01 4.18 1zyoA1 VAL 232 H 0.14 0.51 0.12 -0.55 8.24 8.46 1zyoA1 VAL 232 HA -0.01 0.40 0.74 -0.75 4.13 4.50 1zyoA1 VAL 232 HB 0.21 -0.16 0.09 -0.04 2.12 2.22 1zyoA1 VAL 232 HG13 -0.30 0.00 -0.14 -0.04 0.97 0.49 1zyoA1 VAL 232 HG23 0.28 -0.01 -0.17 -0.04 0.95 1.01 1zyoA1 LYS 233 H -0.10 0.51 0.08 -0.55 8.42 8.36 1zyoA1 LYS 233 HA -0.14 0.06 0.87 -0.75 4.32 4.36 1zyoA1 LYS 233 HB2 -0.08 -0.07 0.05 -0.04 1.87 1.74 1zyoA1 LYS 233 HB3 -0.08 0.03 -0.02 -0.04 1.79 1.68 1zyoA1 LYS 233 HG2 -0.04 -0.03 -0.08 -0.04 1.46 1.26 1zyoA1 LYS 233 HG3 -0.04 0.11 -0.23 -0.04 1.46 1.26 1zyoA1 SER 234 H -0.21 0.06 0.04 -0.55 8.46 7.81 1zyoA1 SER 234 HA -0.29 0.11 0.19 -0.75 4.49 3.75 1zyoA1 SER 234 HB2 -0.21 -0.01 0.02 -0.04 3.95 3.70 1zyoA1 SER 234 HB3 -0.12 -0.01 -0.10 -0.04 3.93 3.66 1zyoA1 THR 235 H -0.13 0.36 0.22 -0.55 8.28 8.19 1zyoA1 THR 235 HA -0.04 0.12 0.57 -0.75 4.39 4.28 1zyoA1 THR 235 HB -0.01 0.00 0.13 -0.04 4.32 4.40 1zyoA1 THR 235 HG23 0.04 0.02 0.00 -0.04 1.22 1.24 1zyoA1 PRO 236 HA -0.02 -0.00 0.57 -0.51 4.44 4.48 1zyoA1 PRO 236 HB2 0.02 0.13 -0.08 -0.04 2.28 2.31 1zyoA1 PRO 236 HB3 -0.00 0.00 0.07 -0.04 2.02 2.04 1zyoA1 PRO 236 HG2 0.00 0.05 0.05 -0.04 2.03 2.09 1zyoA1 PRO 236 HG3 -0.00 0.04 0.05 -0.04 2.03 2.07 1zyoA1 PRO 236 HD2 -0.01 0.09 0.22 -0.04 3.68 3.94 1zyoA1 PRO 236 HD3 -0.02 0.12 0.11 -0.04 3.65 3.82 1zyoA1 LEU 237 H 0.03 0.14 0.21 -0.55 8.37 8.20 1zyoA1 LEU 237 HA 0.03 0.17 0.74 -0.75 4.35 4.53 1zyoA1 LEU 237 HB2 0.08 0.03 0.19 -0.04 1.64 1.90 1zyoA1 LEU 237 HB3 0.24 -0.01 -0.07 -0.04 1.64 1.76 1zyoA1 LEU 237 HG 0.06 -0.11 -0.15 -0.04 1.64 1.40 1zyoA1 LEU 237 HD13 -0.02 0.02 -0.08 -0.04 0.93 0.81 1zyoA1 LEU 237 HD23 -0.02 0.01 -0.07 -0.04 0.89 0.78 1zyoA1 VAL 238 H -0.01 0.58 0.19 -0.55 8.24 8.46 1zyoA1 VAL 238 HA -0.10 0.09 0.64 -0.75 4.13 4.00 1zyoA1 VAL 238 HB -0.06 -0.02 -0.32 -0.04 2.12 1.68 1zyoA1 VAL 238 HG13 -0.11 0.02 -0.11 -0.04 0.97 0.73 1zyoA1 VAL 238 HG23 -0.02 0.11 -0.12 -0.04 0.95 0.88 1zyoA1 CYS 239 H -0.47 0.10 0.08 -0.55 8.50 7.66 1zyoA1 CYS 239 HA -0.85 0.09 0.57 -0.75 4.58 3.63 1zyoA1 CYS 239 HB2 -1.00 -0.01 0.09 -0.04 2.97 2.00 1zyoA1 CYS 239 HB3 -0.34 -0.04 0.11 -0.04 2.97 2.66 1zyoA1 PRO 240 HA -0.06 0.03 0.50 -0.51 4.44 4.40 1zyoA1 PRO 240 HB2 -0.01 0.03 -0.06 -0.04 2.28 2.20 1zyoA1 PRO 240 HB3 -0.01 0.07 0.06 -0.04 2.02 2.10 1zyoA1 PRO 240 HG2 0.01 0.00 0.05 -0.04 2.03 2.06 1zyoA1 PRO 240 HG3 0.05 -0.00 0.12 -0.04 2.03 2.16 1zyoA1 PRO 240 HD2 -0.07 -0.01 0.25 -0.04 3.68 3.80 1zyoA1 PRO 240 HD3 -0.03 0.34 0.33 -0.04 3.65 4.25 1zyoA1 SER 241 H -0.03 0.09 0.04 -0.55 8.46 8.01 1zyoA1 SER 241 HA -0.04 0.26 0.83 -0.75 4.49 4.79 1zyoA1 SER 241 HB2 -0.03 -0.07 0.16 -0.04 3.95 3.97 1zyoA1 SER 241 HB3 -0.04 0.12 -0.11 -0.04 3.93 3.86 1zyoA1 SER 242 H -0.03 0.18 0.15 -0.55 8.46 8.22 1zyoA1 SER 242 HA -0.03 0.06 0.63 -0.75 4.49 4.40 1zyoA1 SER 242 HB2 -0.02 0.03 0.03 -0.04 3.95 3.95 1zyoA1 SER 242 HB3 -0.02 0.04 0.11 -0.04 3.93 4.01 1zyoA1 LYS 243 H -0.01 0.05 -0.17 -0.55 8.42 7.72 1zyoA1 LYS 243 HA -0.00 0.31 0.64 -0.75 4.32 4.51 1zyoA1 LYS 243 HB2 -0.01 0.02 -0.27 -0.04 1.87 1.57 1zyoA1 LYS 243 HB3 -0.01 -0.05 0.08 -0.04 1.79 1.77 1zyoA1 ASP 244 H 0.00 0.65 0.29 -0.55 8.40 8.80 1zyoA1 ASP 244 HA -0.00 0.15 0.94 -0.75 4.63 4.97 1zyoA1 ASP 244 HB2 0.00 -0.04 0.06 -0.04 2.71 2.69 1zyoA1 ASP 244 HB3 -0.00 0.09 -0.03 -0.04 2.70 2.72 1zyoA1 VAL 245 H 0.01 0.13 0.18 -0.55 8.24 8.01 1zyoA1 VAL 245 HA 0.01 0.19 0.90 -0.75 4.13 4.48 1zyoA1 VAL 245 HB 0.01 -0.08 0.20 -0.04 2.12 2.21 1zyoA1 VAL 245 HG13 0.01 0.03 0.00 -0.04 0.97 0.97 1zyoA1 VAL 245 HG23 0.00 0.00 0.04 -0.04 0.95 0.96 1zyoA1 ILE 246 H 0.02 0.68 0.34 -0.55 8.25 8.74 1zyoA1 ILE 246 HA 0.04 0.40 1.20 -0.75 4.18 5.07 1zyoA1 ILE 246 HB 0.00 0.08 -0.19 -0.04 1.89 1.74 1zyoA1 ILE 246 HG12 0.02 -0.05 -0.39 -0.04 1.49 1.03 1zyoA1 ILE 246 HG13 0.01 -0.10 -0.27 -0.04 1.21 0.81 1zyoA1 ILE 246 HG23 0.00 -0.01 -0.52 -0.04 0.93 0.36 1zyoA1 ILE 246 HD13 -0.07 -0.03 -0.32 -0.04 0.88 0.42 1zyoA1 THR 247 H 0.10 0.59 0.33 -0.55 8.28 8.74 1zyoA1 THR 247 HA -0.03 0.33 1.09 -0.75 4.39 5.02 1zyoA1 THR 247 HB 0.10 -0.07 0.07 -0.04 4.32 4.39 1zyoA1 THR 247 HG23 -0.37 0.03 0.04 -0.04 1.22 0.87 1zyoA1 CYS 248 H -0.04 0.52 0.21 -0.55 8.50 8.64 1zyoA1 CYS 248 HA 0.18 0.23 0.88 -0.75 4.58 5.11 1zyoA1 CYS 248 HB2 0.25 0.06 -0.09 -0.04 2.97 3.15 1zyoA1 CYS 248 HB3 0.03 -0.03 -0.14 -0.04 2.97 2.78 1zyoA1 TYR 249 H 0.18 0.23 0.19 -0.55 8.29 8.34 1zyoA1 TYR 249 HA -0.26 0.36 1.17 -0.75 4.56 5.08 1zyoA1 TYR 249 HB2 -0.20 -0.04 0.11 -0.04 3.06 2.88 1zyoA1 TYR 249 HB3 -0.31 0.03 0.02 -0.04 2.98 2.67 1zyoA1 TYR 249 HD2 -0.00 0.02 -0.10 -0.04 7.15 7.02 1zyoA1 TYR 249 HE2 -0.11 0.02 -0.09 -0.04 6.85 6.62 1zyoA1 GLY 250 H -1.07 0.68 0.39 -0.55 8.43 7.88 1zyoA1 GLY 250 HA2 -2.01 0.09 0.39 -0.51 4.01 1.97 1zyoA1 GLY 250 HA3 -3.37 0.00 0.33 -0.51 4.01 0.46 1zyoA1 GLY 251 H -0.33 0.42 0.13 -0.55 8.43 8.10 1zyoA1 GLY 251 HA2 0.05 0.08 0.36 -0.51 4.01 3.99 1zyoA1 GLY 251 HA3 0.01 0.17 0.43 -0.51 4.01 4.11 1zyoA1 SER 252 H 0.09 0.20 0.19 -0.55 8.46 8.39 1zyoA1 SER 252 HA 0.11 0.26 0.90 -0.75 4.49 5.01 1zyoA1 SER 252 HB2 0.07 -0.01 0.18 -0.04 3.95 4.16 1zyoA1 SER 252 HB3 0.12 0.06 0.01 -0.04 3.93 4.08 1zyoA1 SER 253 H 0.08 0.19 0.10 -0.55 8.46 8.29 1zyoA1 SER 253 HA 0.02 0.17 0.25 -0.75 4.49 4.18 1zyoA1 SER 253 HB2 0.02 0.00 0.15 -0.04 3.95 4.08 1zyoA1 SER 253 HB3 0.03 0.20 -0.01 -0.04 3.93 4.11 1zyoA1 SER 254 H 0.02 0.24 0.03 -0.55 8.46 8.20 1zyoA1 SER 254 HA 0.09 0.16 0.22 -0.75 4.49 4.21 1zyoA1 SER 254 HB2 0.05 -0.11 -0.15 -0.04 3.95 3.70 1zyoA1 SER 254 HB3 0.02 0.12 -0.05 -0.04 3.93 3.98 1zyoA1 ASP 255 H 0.03 0.08 -0.24 -0.55 8.40 7.73 1zyoA1 ASP 255 HA 0.03 0.12 0.65 -0.75 4.63 4.67 1zyoA1 ASP 255 HB2 0.02 0.06 0.08 -0.04 2.71 2.84 1zyoA1 ASP 255 HB3 0.02 0.00 -0.05 -0.04 2.70 2.63 1zyoA1 CYS 256 H 0.04 0.19 -0.46 -0.55 8.50 7.72 1zyoA1 CYS 256 HA 0.03 0.26 0.94 -0.75 4.58 5.05 1zyoA1 CYS 256 HB2 0.03 -0.04 -0.04 -0.04 2.97 2.89 1zyoA1 CYS 256 HB3 0.04 -0.15 0.19 -0.04 2.97 3.00 1zyoA1 LEU 257 H 0.03 0.27 -0.15 -0.55 8.37 7.97 1zyoA1 LEU 257 HA -0.03 0.12 0.47 -0.75 4.35 4.16 1zyoA1 LEU 257 HB2 0.02 0.00 -0.04 -0.04 1.64 1.58 1zyoA1 LEU 257 HB3 0.03 0.02 -0.04 -0.04 1.64 1.60 1zyoA1 LEU 257 HG -0.10 0.12 0.03 -0.04 1.64 1.65 1zyoA1 LEU 257 HD13 -0.13 -0.01 -0.31 -0.04 0.93 0.44 1zyoA1 LEU 257 HD23 -0.04 -0.02 -0.08 -0.04 0.89 0.71 1zyoA1 MET 258 H -0.11 0.83 0.48 -0.55 8.47 9.12 1zyoA1 MET 258 HA 0.08 0.16 0.67 -0.75 4.52 4.68 1zyoA1 MET 258 HB2 0.21 -0.00 -0.02 -0.04 2.15 2.30 1zyoA1 MET 258 HB3 0.09 -0.03 -0.09 -0.04 2.03 1.96 1zyoA1 MET 258 HG2 0.13 0.03 -0.01 -0.04 2.63 2.74 1zyoA1 MET 258 HG3 0.45 -0.00 -0.21 -0.04 2.56 2.75 1zyoA1 MET 258 HE3 0.02 -0.02 -0.16 -0.04 2.10 1.90 1zyoA1 SER 259 H 0.15 0.49 0.34 -0.55 8.46 8.89 1zyoA1 SER 259 HA -0.11 0.28 1.24 -0.75 4.49 5.15 1zyoA1 SER 259 HB2 -0.54 0.01 0.05 -0.04 3.95 3.43 1zyoA1 SER 259 HB3 -0.15 -0.03 -0.10 -0.04 3.93 3.60 1zyoA1 GLY 260 H 0.06 0.69 0.48 -0.55 8.43 9.11 1zyoA1 GLY 260 HA2 -0.02 0.34 1.05 -0.51 4.01 4.86 1zyoA1 GLY 260 HA3 0.03 0.11 0.46 -0.51 4.01 4.10 1zyoA1 VAL 261 H -0.04 0.36 0.34 -0.55 8.24 8.35 1zyoA1 VAL 261 HA -0.02 0.29 1.05 -0.75 4.13 4.71 1zyoA1 VAL 261 HB -0.01 -0.02 0.10 -0.04 2.12 2.15 1zyoA1 VAL 261 HG13 -0.00 0.00 0.06 -0.04 0.97 0.99 1zyoA1 VAL 261 HG23 -0.03 0.01 -0.15 -0.04 0.95 0.74 1zyoA1 GLY 262 H 0.01 0.65 0.34 -0.55 8.43 8.89 1zyoA1 GLY 262 HA2 0.02 0.15 0.36 -0.51 4.01 4.02 1zyoA1 GLY 262 HA3 0.04 -0.08 0.16 -0.51 4.01 3.62 1zyoA1 SER 263 H 0.04 0.13 0.24 -0.55 8.46 8.33 1zyoA1 SER 263 HA 0.03 0.31 1.00 -0.75 4.49 5.07 1zyoA1 SER 263 HB2 0.02 0.04 0.05 -0.04 3.95 4.02 1zyoA1 SER 263 HB3 0.01 0.02 0.02 -0.04 3.93 3.94 1zyoA1 SER 264 H 0.03 0.65 0.36 -0.55 8.46 8.95 1zyoA1 SER 264 HA 0.10 0.26 1.11 -0.75 4.49 5.21 1zyoA1 SER 264 HB2 0.03 -0.05 -0.16 -0.04 3.95 3.72 1zyoA1 SER 264 HB3 0.02 -0.05 -0.03 -0.04 3.93 3.83 1zyoA1 SER 265 H 0.05 0.60 0.34 -0.55 8.46 8.90 1zyoA1 SER 265 HA -0.00 0.15 0.80 -0.75 4.49 4.69 1zyoA1 SER 265 HB2 0.01 -0.07 0.09 -0.04 3.95 3.93 1zyoA1 SER 265 HB3 -0.01 0.08 0.14 -0.04 3.93 4.10 1zyoA1 THR 266 H -0.02 0.35 0.23 -0.55 8.28 8.29 1zyoA1 THR 266 HA -0.04 0.13 0.63 -0.75 4.39 4.36 1zyoA1 THR 266 HB -0.08 0.08 0.00 -0.04 4.32 4.28 1zyoA1 THR 266 HG23 -0.03 0.03 -0.14 -0.04 1.22 1.04 1zyoA1 SER 267 H -0.14 0.34 0.17 -0.55 8.46 8.28 1zyoA1 SER 267 HA -0.09 0.19 0.86 -0.75 4.49 4.70 1zyoA1 SER 267 HB2 -0.17 0.35 0.09 -0.04 3.95 4.18 1zyoA1 SER 267 HB3 -0.09 -0.49 0.10 -0.04 3.93 3.41 1zyoA1 GLU 268 H -0.21 0.16 0.09 -0.55 8.60 8.11 1zyoA1 GLU 268 HA -0.28 0.15 0.64 -0.75 4.29 4.05 1zyoA1 GLU 268 HB2 -0.33 0.02 0.12 -0.04 2.09 1.86 1zyoA1 GLU 268 HB3 -0.23 0.03 0.10 -0.04 1.99 1.84 1zyoA1 GLU 268 HG2 -1.05 0.01 -0.25 -0.04 2.34 1.01 1zyoA1 GLU 268 HG3 -0.43 0.02 -0.02 -0.04 2.34 1.87 1zyoA1 PHE 269 H -0.35 0.06 -0.19 -0.55 8.34 7.30 1zyoA1 PHE 269 HA -1.03 0.13 0.71 -0.75 4.62 3.69 1zyoA1 PHE 269 HB2 -0.64 0.01 0.17 -0.04 3.15 2.64 1zyoA1 PHE 269 HB3 -1.63 -0.00 0.06 -0.04 3.06 1.45 1zyoA1 PHE 269 HD2 -0.09 -0.00 0.02 -0.04 7.28 7.17 1zyoA1 PHE 269 HE2 0.04 0.02 -0.02 -0.04 7.38 7.38 1zyoA1 PHE 269 HZ 0.02 0.02 -0.02 -0.04 7.32 7.29 1zyoA1 THR 270 H -0.78 0.23 -0.07 -0.55 8.28 7.11 1zyoA1 THR 270 HA -0.43 0.20 0.04 -0.75 4.39 3.45 1zyoA1 THR 270 HB -1.65 -0.02 -0.03 -0.04 4.32 2.59 1zyoA1 THR 270 HG23 -0.29 0.01 0.02 -0.04 1.22 0.92 1zyoA1 TRP 271 H -0.48 0.03 -0.24 -0.55 7.97 6.73 1zyoA1 TRP 271 HA 0.18 0.09 0.51 -0.75 4.62 4.64 1zyoA1 TRP 271 HB2 0.19 0.04 0.03 -0.04 3.23 3.45 1zyoA1 TRP 271 HB3 0.32 -0.02 0.01 -0.04 3.23 3.51 1zyoA1 TRP 271 HD1 0.08 0.16 -0.26 -0.04 7.22 7.16 1zyoA1 TRP 271 HE1 -0.02 -0.00 -0.06 -0.04 10.20 10.07 1zyoA1 TRP 271 HE3 0.04 0.02 -0.04 -0.04 7.59 7.57 1zyoA1 TRP 271 HZ2 0.04 0.02 -0.02 -0.04 7.44 7.44 1zyoA1 TRP 271 HZ3 0.09 0.06 0.00 -0.04 7.13 7.24 1zyoA1 TRP 271 HH2 0.28 0.04 0.01 -0.04 7.19 7.47 1zyoA1 LYS 272 H -0.62 0.54 -0.20 -0.55 8.42 7.59 1zyoA1 LYS 272 HA 0.10 0.25 0.80 -0.75 4.32 4.72 1zyoA1 LYS 272 HB2 -0.20 -0.10 0.03 -0.04 1.87 1.56 1zyoA1 LYS 272 HB3 -0.28 0.04 0.15 -0.04 1.79 1.66 1zyoA1 LYS 272 HG2 -0.01 -0.02 -0.30 -0.04 1.46 1.09 1zyoA1 LYS 272 HG3 0.06 0.12 0.05 -0.04 1.46 1.65 1zyoA1 LYS 272 HD2 0.02 -0.01 -0.02 -0.04 1.69 1.64 1zyoA1 LYS 272 HD3 -0.08 -0.09 -0.01 -0.04 1.68 1.46 1zyoA1 LYS 272 HE2 0.01 -0.01 -0.12 -0.04 2.99 2.84 1zyoA1 LYS 272 HE3 0.01 0.04 -0.05 -0.04 2.99 2.95 1zyoA1 LEU 273 H 0.08 0.60 0.21 -0.55 8.37 8.71 1zyoA1 LEU 273 HA 0.02 0.31 0.77 -0.75 4.35 4.69 1zyoA1 LEU 273 HB2 0.11 -0.18 -0.13 -0.04 1.64 1.40 1zyoA1 LEU 273 HB3 0.08 0.02 -0.10 -0.04 1.64 1.61 1zyoA1 LEU 273 HG 0.08 -0.06 -0.44 -0.04 1.64 1.17 1zyoA1 LEU 273 HD13 0.06 0.01 -0.24 -0.04 0.93 0.72 1zyoA1 LEU 273 HD23 0.02 0.04 -0.14 -0.04 0.89 0.77 1zyoA1 THR 274 H 0.04 0.65 0.28 -0.55 8.28 8.69 1zyoA1 THR 274 HA 0.05 0.22 0.92 -0.75 4.39 4.82 1zyoA1 THR 274 HB -0.00 0.03 0.09 -0.04 4.32 4.40 1zyoA1 THR 274 HG23 0.02 -0.01 -0.11 -0.04 1.22 1.07 1zyoA1 HIS 275 H -0.14 0.52 0.12 -0.55 8.41 8.37 1zyoA1 HIS 275 HA 0.01 0.33 0.99 -0.75 4.63 5.20 1zyoA1 HIS 275 HB2 0.01 -0.01 -0.06 -0.04 3.26 3.17 1zyoA1 HIS 275 HB3 0.03 -0.03 -0.36 -0.04 3.20 2.79 1zyoA1 HIS 275 HD2 0.11 -0.06 -0.54 -0.04 6.97 6.44 1zyoA1 HIS 275 HE1 -0.18 0.22 -0.19 -0.04 7.75 7.55 1zyoA1 THR 276 H 0.12 0.37 0.30 -0.55 8.28 8.53 1zyoA1 THR 276 HA -0.08 0.18 0.91 -0.75 4.39 4.65 1zyoA1 THR 276 HB -0.02 0.09 0.23 -0.04 4.32 4.58 1zyoA1 THR 276 HG23 -0.01 0.03 -0.01 -0.04 1.22 1.19 1zyoA1 CYS 277 H 0.45 -0.03 -0.16 -0.55 8.50 8.21 1zyoA1 CYS 277 HA 0.02 0.25 0.12 -0.75 4.58 4.22 1zyoA1 CYS 277 HB2 0.08 -0.12 -0.18 -0.04 2.97 2.71 1zyoA1 CYS 277 HB3 0.08 -0.01 -0.23 -0.04 2.97 2.77 1zyoA1 PRO 278 HA -0.22 -0.01 0.47 -0.51 4.44 4.18 1zyoA1 PRO 278 HB2 -0.54 0.02 0.00 -0.04 2.28 1.73 1zyoA1 PRO 278 HB3 -0.37 0.03 0.14 -0.04 2.02 1.78 1zyoA1 PRO 278 HG2 -0.37 0.01 0.22 -0.04 2.03 1.84 1zyoA1 PRO 278 HG3 -0.26 0.12 0.25 -0.04 2.03 2.10 1zyoA1 PRO 278 HD2 -0.07 -0.13 0.19 -0.04 3.68 3.62 1zyoA1 PRO 278 HD3 -0.09 0.36 0.36 -0.04 3.65 4.24 1zyoA1 THR 279 H -0.31 0.09 0.11 -0.55 8.28 7.62 1zyoA1 THR 279 HA -1.67 0.23 0.70 -0.75 4.39 2.90 1zyoA1 THR 279 HB -0.40 -0.09 0.07 -0.04 4.32 3.86 1zyoA1 THR 279 HG23 -0.41 0.05 -0.33 -0.04 1.22 0.49 1zyoA1 ALA 280 H -1.16 0.22 0.07 -0.55 8.40 6.98 1zyoA1 ALA 280 HA -0.19 0.11 0.48 -0.75 4.34 3.99 1zyoA1 ALA 280 HB3 -0.26 0.03 -0.08 -0.04 1.41 1.06 1zyoA1 ALA 281 H 0.09 0.15 0.10 -0.55 8.40 8.19 1zyoA1 ALA 281 HA 0.22 0.02 0.58 -0.75 4.34 4.40 1zyoA1 ALA 281 HB3 0.14 0.03 0.10 -0.04 1.41 1.64 1zyoA1 GLY 282 H 0.28 0.10 0.17 -0.55 8.43 8.44 1zyoA1 GLY 282 HA2 0.24 0.11 0.25 -0.51 4.01 4.11 1zyoA1 GLY 282 HA3 0.31 0.24 0.64 -0.51 4.01 4.69 1zyoA1 TRP 283 H 0.60 0.38 -0.22 -0.55 7.97 8.18 1zyoA1 TRP 283 HA 0.38 0.21 0.67 -0.75 4.62 5.13 1zyoA1 TRP 283 HB2 0.14 0.04 0.07 -0.04 3.23 3.44 1zyoA1 TRP 283 HB3 0.06 0.02 0.13 -0.04 3.23 3.40 1zyoA1 TRP 283 HD1 0.15 0.14 -0.52 -0.04 7.22 6.95 1zyoA1 TRP 283 HE1 -0.00 0.05 -0.25 -0.04 10.20 9.95 1zyoA1 TRP 283 HE3 -0.09 -0.03 -0.23 -0.04 7.59 7.20 1zyoA1 TRP 283 HZ2 -0.14 0.01 -0.29 -0.04 7.44 6.98 1zyoA1 TRP 283 HZ3 -0.02 0.05 -0.39 -0.04 7.13 6.73 1zyoA1 TRP 283 HH2 0.18 0.03 -0.31 -0.04 7.19 7.05 1zyoA1 SER 284 H 0.37 0.05 -0.36 -0.55 8.46 7.98 1zyoA1 SER 284 HA 0.28 0.10 0.51 -0.75 4.49 4.63 1zyoA1 SER 284 HB2 0.13 0.06 0.15 -0.04 3.95 4.25 1zyoA1 SER 284 HB3 -0.09 -0.05 0.05 -0.04 3.93 3.80 1zyoA1 GLY 285 H 0.17 0.77 0.38 -0.55 8.43 9.21 1zyoA1 GLY 285 HA2 0.13 -0.05 0.38 -0.51 4.01 3.96 1zyoA1 GLY 285 HA3 0.15 0.24 0.84 -0.51 4.01 4.73 1zyoA1 THR 286 H 0.30 0.24 -0.16 -0.55 8.28 8.11 1zyoA1 THR 286 HA 0.16 0.12 0.45 -0.75 4.39 4.36 1zyoA1 THR 286 HB 0.14 0.01 0.08 -0.04 4.32 4.51 1zyoA1 THR 286 HG23 0.24 -0.02 -0.00 -0.04 1.22 1.40 1zyoA1 PRO 287 HA -0.10 0.08 0.59 -0.51 4.44 4.49 1zyoA1 PRO 287 HB2 -1.25 -0.04 -0.04 -0.04 2.28 0.91 1zyoA1 PRO 287 HB3 -0.45 0.02 0.04 -0.04 2.02 1.59 1zyoA1 PRO 287 HG2 -0.17 0.01 -0.00 -0.04 2.03 1.82 1zyoA1 PRO 287 HG3 -0.10 0.08 -0.03 -0.04 2.03 1.94 1zyoA1 PRO 287 HD2 0.09 0.05 0.22 -0.04 3.68 4.00 1zyoA1 PRO 287 HD3 0.09 0.23 0.20 -0.04 3.65 4.13 1zyoA1 LEU 288 H -0.12 0.75 0.28 -0.55 8.37 8.74 1zyoA1 LEU 288 HA -0.06 0.19 0.72 -0.75 4.35 4.44 1zyoA1 LEU 288 HB2 -0.06 -0.01 0.04 -0.04 1.64 1.57 1zyoA1 LEU 288 HB3 -0.06 -0.04 -0.04 -0.04 1.64 1.45 1zyoA1 LEU 288 HG -0.24 -0.02 -0.22 -0.04 1.64 1.12 1zyoA1 LEU 288 HD13 -0.33 0.03 -0.27 -0.04 0.93 0.32 1zyoA1 LEU 288 HD23 -0.04 -0.03 -0.37 -0.04 0.89 0.42 1zyoA1 TYR 289 H 0.16 0.57 0.14 -0.55 8.29 8.61 1zyoA1 TYR 289 HA 0.02 0.02 0.45 -0.75 4.56 4.29 1zyoA1 TYR 289 HB2 0.12 0.10 0.18 -0.04 3.06 3.42 1zyoA1 TYR 289 HB3 0.06 0.06 -0.05 -0.04 2.98 3.01 1zyoA1 TYR 289 HD2 0.11 0.08 0.00 -0.04 7.15 7.30 1zyoA1 TYR 289 HE2 -0.03 0.01 0.03 -0.04 6.85 6.82 1zyoA1 SER 290 H 0.10 0.62 0.22 -0.55 8.46 8.84 1zyoA1 SER 290 HA 0.06 0.32 0.88 -0.75 4.49 5.00 1zyoA1 SER 290 HB2 0.02 0.04 0.15 -0.04 3.95 4.12 1zyoA1 SER 290 HB3 0.02 -0.14 0.27 -0.04 3.93 4.03 1zyoA1 SER 291 H 0.03 0.20 0.20 -0.55 8.46 8.34 1zyoA1 SER 291 HA 0.03 0.13 0.51 -0.75 4.49 4.40 1zyoA1 SER 291 HB2 0.01 0.05 0.07 -0.04 3.95 4.03 1zyoA1 SER 291 HB3 0.01 0.03 0.14 -0.04 3.93 4.07 1zyoA1 ARG 292 H 0.01 0.01 -0.12 -0.55 8.46 7.81 1zyoA1 ARG 292 HA -0.00 0.13 0.51 -0.75 4.34 4.23 1zyoA1 ARG 292 HB2 -0.01 -0.05 0.08 -0.04 1.90 1.88 1zyoA1 ARG 292 HB3 -0.01 0.01 -0.01 -0.04 1.80 1.74 1zyoA1 ARG 292 HG2 -0.03 0.03 -0.02 -0.04 1.67 1.62 1zyoA1 ARG 292 HG3 -0.02 0.00 0.06 -0.04 1.67 1.67 1zyoA1 ARG 292 HD2 -0.05 -0.00 -0.02 -0.04 3.22 3.11 1zyoA1 ARG 292 HD3 -0.03 -0.03 0.00 -0.04 3.22 3.12 1zyoA1 GLY 293 H 0.04 0.04 -0.43 -0.55 8.43 7.53 1zyoA1 GLY 293 HA2 0.08 0.08 0.23 -0.51 4.01 3.90 1zyoA1 GLY 293 HA3 0.02 0.24 0.80 -0.51 4.01 4.56 1zyoA1 VAL 294 H 0.01 0.27 0.14 -0.55 8.24 8.12 1zyoA1 VAL 294 HA -0.12 0.18 0.60 -0.75 4.13 4.04 1zyoA1 VAL 294 HB -0.07 0.10 0.13 -0.04 2.12 2.24 1zyoA1 VAL 294 HG13 -0.15 -0.02 -0.12 -0.04 0.97 0.64 1zyoA1 VAL 294 HG23 -0.34 0.00 -0.02 -0.04 0.95 0.55 1zyoA1 VAL 295 H -0.05 0.58 0.39 -0.55 8.24 8.61 1zyoA1 VAL 295 HA -0.04 0.27 0.54 -0.75 4.13 4.15 1zyoA1 VAL 295 HB -0.02 -0.10 -0.01 -0.04 2.12 1.94 1zyoA1 VAL 295 HG13 -0.03 0.04 -0.18 -0.04 0.97 0.75 1zyoA1 VAL 295 HG23 -0.02 0.04 -0.09 -0.04 0.95 0.84 1zyoA1 GLY 296 H -0.05 0.26 0.11 -0.55 8.43 8.20 1zyoA1 GLY 296 HA2 0.04 -0.02 0.50 -0.51 4.01 4.03 1zyoA1 GLY 296 HA3 0.03 0.05 0.30 -0.51 4.01 3.89 1zyoA1 MET 297 H 0.07 0.50 0.29 -0.55 8.47 8.78 1zyoA1 MET 297 HA 0.03 0.15 0.90 -0.75 4.52 4.86 1zyoA1 MET 297 HB2 0.05 -0.01 -0.12 -0.04 2.15 2.03 1zyoA1 MET 297 HB3 0.10 -0.01 0.07 -0.04 2.03 2.14 1zyoA1 MET 297 HG2 0.11 0.10 -0.34 -0.04 2.63 2.47 1zyoA1 MET 297 HG3 0.09 0.13 -0.31 -0.04 2.56 2.43 1zyoA1 MET 297 HE3 0.17 -0.01 -0.04 -0.04 2.10 2.18 1zyoA1 HIS 298 H 0.17 0.77 0.13 -0.55 8.41 8.93 1zyoA1 HIS 298 HA 0.12 0.06 0.70 -0.75 4.63 4.76 1zyoA1 HIS 298 HB2 0.04 -0.01 0.01 -0.04 3.26 3.26 1zyoA1 HIS 298 HB3 0.14 0.11 0.22 -0.04 3.20 3.63 1zyoA1 HIS 298 HD2 0.24 0.26 -0.33 -0.04 6.97 7.10 1zyoA1 HIS 298 HE1 -0.17 0.10 0.04 -0.04 7.75 7.68 1zyoA1 VAL 299 H -0.23 0.40 0.43 -0.55 8.24 8.29 1zyoA1 VAL 299 HA -0.03 0.05 1.02 -0.75 4.13 4.42 1zyoA1 VAL 299 HB 0.10 -0.06 0.02 -0.04 2.12 2.15 1zyoA1 VAL 299 HG13 0.12 0.03 -0.17 -0.04 0.97 0.91 1zyoA1 VAL 299 HG23 0.07 0.01 -0.23 -0.04 0.95 0.75 1zyoA1 GLY 300 H -0.33 0.40 0.28 -0.55 8.43 8.24 1zyoA1 GLY 300 HA2 -0.46 0.04 0.31 -0.51 4.01 3.40 1zyoA1 GLY 300 HA3 -0.11 0.06 0.54 -0.51 4.01 3.99 1zyoA1 PHE 301 H 0.16 0.24 0.17 -0.55 8.34 8.35 1zyoA1 PHE 301 HA 0.00 0.11 0.90 -0.75 4.62 4.88 1zyoA1 PHE 301 HB2 -0.00 0.05 -0.07 -0.04 3.15 3.08 1zyoA1 PHE 301 HB3 -0.01 -0.05 -0.20 -0.04 3.06 2.76 1zyoA1 PHE 301 HD2 -0.01 -0.02 -0.03 -0.04 7.28 7.18 1zyoA1 PHE 301 HE2 0.01 0.04 -0.08 -0.04 7.38 7.31 1zyoA1 PHE 301 HZ 0.03 0.01 -0.13 -0.04 7.32 7.20 1zyoA1 GLU 302 H 0.10 0.63 0.34 -0.55 8.60 9.13 1zyoA1 GLU 302 HA 0.06 0.14 0.76 -0.75 4.29 4.49 1zyoA1 GLU 302 HB2 0.02 0.07 -0.22 -0.04 2.09 1.92 1zyoA1 GLU 302 HB3 0.01 -0.00 -0.02 -0.04 1.99 1.94 1zyoA1 GLU 302 HG2 0.01 -0.00 -0.06 -0.04 2.34 2.24 1zyoA1 GLU 302 HG3 0.01 -0.02 -0.16 -0.04 2.34 2.13 1zyoA1 GLU 303 H 0.05 0.47 0.33 -0.55 8.60 8.90 1zyoA1 GLU 303 HA 0.01 0.14 0.34 -0.75 4.29 4.03 1zyoA1 GLU 303 HB2 0.00 0.10 0.12 -0.04 2.09 2.27 1zyoA1 GLU 303 HB3 0.00 -0.09 0.15 -0.04 1.99 2.02 1zyoA1 GLU 303 HG2 -0.02 0.06 -0.35 -0.04 2.34 1.98 1zyoA1 GLU 303 HG3 -0.02 0.03 0.03 -0.04 2.34 2.34 1zyoA1 ILE 304 H -0.07 0.19 0.03 -0.55 8.25 7.85 1zyoA1 ILE 304 HA 0.05 -0.02 0.25 -0.75 4.18 3.71 1zyoA1 ILE 304 HB -0.20 0.05 0.13 -0.04 1.89 1.83 1zyoA1 ILE 304 HG12 -0.46 0.05 0.02 -0.04 1.49 1.05 1zyoA1 ILE 304 HG13 -0.31 -0.06 0.02 -0.04 1.21 0.82 1zyoA1 ILE 304 HG23 -0.81 0.02 -0.06 -0.04 0.93 0.04 1zyoA1 ILE 304 HD13 -0.12 0.00 0.05 -0.04 0.88 0.77 1zyoA1 GLY 305 H 0.16 0.13 0.15 -0.55 8.43 8.32 1zyoA1 GLY 305 HA2 -0.01 0.03 0.31 -0.51 4.01 3.83 1zyoA1 GLY 305 HA3 -0.03 0.14 0.56 -0.51 4.01 4.17 1zyoA1 LYS 306 H 0.00 0.34 -0.25 -0.55 8.42 7.95 1zyoA1 LYS 306 HA -0.04 0.22 0.96 -0.75 4.32 4.71 1zyoA1 LYS 306 HB2 -0.02 0.01 -0.09 -0.04 1.87 1.73 1zyoA1 LYS 306 HB3 -0.01 -0.06 0.06 -0.04 1.79 1.74 1zyoA1 LEU 307 H 0.01 0.45 0.31 -0.55 8.37 8.59 1zyoA1 LEU 307 HA -0.06 0.24 0.91 -0.75 4.35 4.68 1zyoA1 LEU 307 HB2 -0.02 0.04 -0.17 -0.04 1.64 1.46 1zyoA1 LEU 307 HB3 -0.01 -0.18 0.11 -0.04 1.64 1.52 1zyoA1 LEU 307 HG -0.04 0.13 -0.04 -0.04 1.64 1.66 1zyoA1 LEU 307 HD13 -0.04 0.03 -0.05 -0.04 0.93 0.83 1zyoA1 LEU 307 HD23 -0.01 -0.01 -0.05 -0.04 0.89 0.78 1zyoA1 ASN 308 H -0.22 0.63 0.33 -0.55 8.53 8.73 1zyoA1 ASN 308 HA -0.07 -0.05 0.99 -0.75 4.76 4.88 1zyoA1 ASN 308 HB2 -0.98 0.10 0.02 -0.04 2.88 1.98 1zyoA1 ASN 308 HB3 -0.25 0.06 0.19 -0.04 2.79 2.74 1zyoA1 ASN 308 HD21 -0.15 -0.12 -0.08 -0.04 7.03 6.65 1zyoA1 ASN 308 HD22 -0.22 0.36 -0.10 -0.04 7.74 7.75 1zyoA1 ARG 309 H -0.03 0.66 0.18 -0.55 8.46 8.71 1zyoA1 ARG 309 HA 0.06 0.24 1.06 -0.75 4.34 4.94 1zyoA1 ARG 309 HB2 0.04 -0.06 -0.69 -0.04 1.90 1.15 1zyoA1 ARG 309 HB3 0.03 -0.16 -0.29 -0.04 1.80 1.34 1zyoA1 ARG 309 HG2 0.09 0.19 -0.06 -0.04 1.67 1.85 1zyoA1 ARG 309 HG3 0.06 0.03 0.05 -0.04 1.67 1.78 1zyoA1 ARG 309 HD2 0.08 -0.06 -0.04 -0.04 3.22 3.16 1zyoA1 ARG 309 HD3 0.06 0.11 -0.07 -0.04 3.22 3.29 1zyoA1 GLY 310 H 0.17 0.61 0.12 -0.55 8.43 8.77 1zyoA1 GLY 310 HA2 0.15 0.16 1.00 -0.51 4.01 4.80 1zyoA1 GLY 310 HA3 0.17 -0.06 0.22 -0.51 4.01 3.83 1zyoA1 VAL 311 H 0.13 0.50 0.30 -0.55 8.24 8.62 1zyoA1 VAL 311 HA 0.20 0.34 1.02 -0.75 4.13 4.94 1zyoA1 VAL 311 HB 0.20 0.13 0.07 -0.04 2.12 2.49 1zyoA1 VAL 311 HG13 0.16 -0.01 0.06 -0.04 0.97 1.14 1zyoA1 VAL 311 HG23 0.27 -0.01 -0.06 -0.04 0.95 1.10 1zyoA1 ASN 312 H 0.19 0.89 0.12 -0.55 8.53 9.18 1zyoA1 ASN 312 HA 0.12 0.10 0.78 -0.75 4.76 5.01 1zyoA1 ASN 312 HB2 0.09 0.05 -0.07 -0.04 2.88 2.91 1zyoA1 ASN 312 HB3 0.16 0.11 0.19 -0.04 2.79 3.21 1zyoA1 ASN 312 HD21 0.19 -0.05 0.04 -0.04 7.03 7.17 1zyoA1 ASN 312 HD22 0.04 0.34 0.12 -0.04 7.74 8.20 1zyoA1 MET 313 H 0.10 0.31 0.18 -0.55 8.47 8.51 1zyoA1 MET 313 HA 0.03 0.03 0.36 -0.75 4.52 4.19 1zyoA1 MET 313 HB2 0.03 0.04 0.02 -0.04 2.15 2.21 1zyoA1 MET 313 HB3 -0.05 0.02 -0.01 -0.04 2.03 1.96 1zyoA1 MET 313 HG2 0.06 0.08 -0.05 -0.04 2.63 2.67 1zyoA1 MET 313 HG3 -0.00 0.04 -0.06 -0.04 2.56 2.50 1zyoA1 PHE 314 H 0.25 0.16 -0.25 -0.55 8.34 7.96 1zyoA1 PHE 314 HA 0.02 0.14 0.46 -0.75 4.62 4.49 1zyoA1 PHE 314 HB2 0.03 0.20 -0.05 -0.04 3.15 3.29 1zyoA1 PHE 314 HB3 0.09 -0.04 0.04 -0.04 3.06 3.10 1zyoA1 PHE 314 HD2 0.07 0.04 -0.26 -0.04 7.28 7.09 1zyoA1 PHE 314 HE2 0.05 0.04 -0.05 -0.04 7.38 7.38 1zyoA1 PHE 314 HZ 0.02 -0.01 -0.03 -0.04 7.32 7.26 1zyoA1 TYR 315 H 0.40 0.19 -0.17 -0.55 8.29 8.16 1zyoA1 TYR 315 HA 0.29 0.09 0.42 -0.75 4.56 4.61 1zyoA1 TYR 315 HB2 0.18 0.03 0.01 -0.04 3.06 3.24 1zyoA1 TYR 315 HB3 0.18 0.17 0.03 -0.04 2.98 3.32 1zyoA1 TYR 315 HD2 0.07 0.05 -0.14 -0.04 7.15 7.09 1zyoA1 TYR 315 HE2 0.08 0.01 -0.08 -0.04 6.85 6.81 1zyoA1 VAL 316 H 0.18 0.36 -0.17 -0.55 8.24 8.06 1zyoA1 VAL 316 HA -0.09 0.00 0.40 -0.75 4.13 3.69 1zyoA1 VAL 316 HB -0.11 0.05 0.09 -0.04 2.12 2.11 1zyoA1 VAL 316 HG13 -0.35 -0.01 -0.16 -0.04 0.97 0.41 1zyoA1 VAL 316 HG23 0.23 0.07 -0.03 -0.04 0.95 1.18 1zyoA1 ALA 317 H -0.13 0.61 -0.20 -0.55 8.40 8.14 1zyoA1 ALA 317 HA -0.18 -0.03 0.34 -0.75 4.34 3.72 1zyoA1 ALA 317 HB3 -0.18 0.02 0.10 -0.04 1.41 1.31 1zyoA1 ASN 318 H -0.25 0.31 -0.32 -0.55 8.53 7.71 1zyoA1 ASN 318 HA -0.35 0.16 0.69 -0.75 4.76 4.50 1zyoA1 ASN 318 HB2 -0.32 0.07 0.12 -0.04 2.88 2.70 1zyoA1 ASN 318 HB3 -0.79 -0.06 0.01 -0.04 2.79 1.91 1zyoA1 ASN 318 HD21 -0.80 -0.03 -0.02 -0.04 7.03 6.14 1zyoA1 ASN 318 HD22 -0.79 -0.05 -0.05 -0.04 7.74 6.82 1zyoA1 TYR 319 H -0.22 0.31 -0.09 -0.55 8.29 7.74 1zyoA1 TYR 319 HA -0.15 0.23 1.01 -0.75 4.56 4.90 1zyoA1 TYR 319 HB2 -0.91 0.07 0.02 -0.04 3.06 2.20 1zyoA1 TYR 319 HB3 -0.21 -0.07 0.04 -0.04 2.98 2.70 1zyoA1 TYR 319 HD2 -0.10 0.04 0.01 -0.04 7.15 7.06 1zyoA1 TYR 319 HE2 0.07 -0.03 -0.04 -0.04 6.85 6.81 1zyoA1 LEU 320 H -0.16 0.34 0.14 -0.55 8.37 8.14 1zyoA1 LEU 320 HA -0.03 0.14 0.78 -0.75 4.35 4.49 1zyoA1 LEU 320 HB2 -0.08 0.07 0.22 -0.04 1.64 1.81 1zyoA1 LEU 320 HB3 0.02 -0.05 -0.05 -0.04 1.64 1.51 1zyoA1 LEU 320 HG 0.02 -0.01 -0.02 -0.04 1.64 1.58 1zyoA1 LEU 320 HD13 -0.11 0.04 -0.25 -0.04 0.93 0.57 1zyoA1 LEU 320 HD23 0.14 -0.04 -0.06 -0.04 0.89 0.89 1zyoA1 LEU 321 H -0.10 0.35 0.12 -0.55 8.37 8.19 1zyoA1 LEU 321 HA 0.01 0.00 0.44 -0.75 4.35 4.04 1zyoA1 LEU 321 HB2 -0.10 0.14 0.04 -0.04 1.64 1.69 1zyoA1 LEU 321 HB3 -0.03 0.05 -0.07 -0.04 1.64 1.54 1zyoA1 LEU 321 HG -0.13 0.03 -0.18 -0.04 1.64 1.31 1zyoA1 LEU 321 HD13 -0.19 -0.01 -0.12 -0.04 0.93 0.57 1zyoA1 LEU 321 HD23 0.09 -0.01 -0.14 -0.04 0.89 0.79 1zyoA1 ARG 322 H 0.00 0.12 0.16 -0.55 8.46 8.19 1zyoA1 ARG 322 HA -0.03 0.16 0.79 -0.75 4.34 4.50 1zyoA1 ARG 322 HB2 0.00 -0.01 0.14 -0.04 1.90 1.99 1zyoA1 ARG 322 HB3 -0.01 -0.05 -0.05 -0.04 1.80 1.65 1zyoA1 ARG 322 HG2 -0.01 0.02 -0.02 -0.04 1.67 1.62 1zyoA1 ARG 322 HG3 -0.01 0.08 -0.06 -0.04 1.67 1.65 1zyoA1 ARG 322 HD2 0.00 -0.01 0.01 -0.04 3.22 3.18 1zyoA1 ARG 322 HD3 -0.00 -0.03 -0.01 -0.04 3.22 3.14 1zyoA1 SER 323 H -0.04 0.17 0.01 -0.55 8.46 8.05 1zyoA1 SER 323 HA -0.03 0.14 0.27 -0.75 4.49 4.12 1zyoA1 SER 323 HB2 -0.03 -0.01 0.08 -0.04 3.95 3.94 1zyoA1 SER 323 HB3 -0.03 -0.00 0.04 -0.04 3.93 3.90