data_LACS ################################# # LACS Output Information # ################################# ############################################################ # LACS Designator Definition # # # # Index Value Definition # # # # 0 Outliers # # 1 Normal points # # # ############################################################ save_LACS_CACB_CA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25705_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -5.74 _LACS_plot.Line_1_terminator_val_y_1 -3.66 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.50 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.13 _LACS_plot.Line_2_terminator_val_x_2 9.22 _LACS_plot.Line_2_terminator_val_y_2 6.30 _LACS_plot.Y_axis_chem_shift_offset 0.60 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 73 HIS -4.44 -0.13 0 40 MET 5.39 -0.65 0 10 ASN -5.74 -4.44 1 11 TYR 1.33 0.47 1 12 ASP 4.11 1.21 1 13 VAL 0.61 -1.96 1 14 GLN 2.82 3.29 1 15 LYS 5.85 3.16 1 16 HIS 3.59 4.59 1 17 ILE 6.49 4.22 1 18 ASN 4.70 4.78 1 19 LYS 4.24 2.09 1 20 LEU 3.92 2.92 1 23 MET 5.40 4.43 1 24 LEU 3.29 2.48 1 25 LEU 4.89 1.88 1 26 ILE 0.92 0.41 1 27 THR 2.71 1.01 1 28 GLU 1.54 0.33 1 29 ASP 1.91 -0.66 1 30 ALA 1.05 -0.03 1 31 ASN 0.50 -1.43 1 32 HIS 1.67 2.49 1 33 LYS 4.68 2.94 1 34 PHE 0.30 -1.18 1 37 LEU 4.08 2.24 1 38 ILE 6.59 4.77 1 41 LEU 4.63 2.25 1 42 TYR 5.95 3.38 1 43 ALA 5.66 2.12 1 44 MET 4.93 4.42 1 45 SER 4.11 2.31 1 46 ARG 2.61 0.47 1 47 LEU 0.76 1.33 1 49 ARG 3.89 2.60 1 50 GLU 4.96 2.89 1 51 ASP 4.42 2.37 1 52 THR 9.22 6.61 1 53 ILE 6.24 4.19 1 54 LYS 4.98 3.32 1 55 ILE 4.41 2.51 1 56 LEU 4.16 2.37 1 57 ARG 4.98 2.63 1 58 ASP 4.44 2.32 1 59 ALA 0.27 -0.92 1 61 TYR 0.70 -0.49 1 62 HIS 0.55 -0.38 1 63 VAL -2.40 -2.25 1 64 LYS 0.12 -1.02 1 65 ALA -1.50 -1.36 1 66 ASN -2.42 -1.15 1 68 VAL -1.09 -1.03 1 69 ASP -4.74 -2.71 1 70 VAL -0.17 -1.41 1 71 THR -3.07 -2.70 1 72 THR -0.56 -0.66 1 74 ARG -2.07 -2.03 1 75 GLN -3.88 -1.17 1 76 ASP 0.07 -0.45 1 77 ILE -0.55 -1.99 1 78 ASN 2.61 0.64 1 80 LYS -3.07 -2.52 1 81 GLU 1.01 0.22 1 82 MET -3.45 -1.52 1 83 LYS -2.06 -1.61 1 84 PHE -3.90 -1.43 1 85 GLU -0.68 -1.33 1 86 VAL -5.60 -4.01 1 87 LEU -3.80 -3.30 1 88 THR -1.94 -3.36 1 89 LEU -3.15 -3.05 1 90 ALA 2.56 0.92 1 91 SER 1.04 0.92 1 92 LEU -3.25 -1.80 1 93 THR -1.33 -0.87 1 94 THR 6.56 4.43 1 95 GLU 4.55 2.86 1 96 ILE 5.25 2.64 1 97 GLN 4.57 4.38 1 98 ILE 6.12 3.26 1 99 ASN 4.71 3.23 1 100 ILE 5.77 4.10 1 101 GLU 5.63 2.76 1 102 ILE 6.45 4.38 1 103 GLU 4.23 2.16 1 104 SER 3.66 2.80 1 105 ARG 4.92 3.06 1 106 LYS 4.85 3.17 1 107 SER 4.31 3.83 1 108 TYR 4.60 3.45 1 109 LYS 5.17 3.12 1 110 LYS 4.63 3.03 1 111 MET 3.65 3.47 1 112 LEU 3.69 2.13 1 113 LYS 3.79 1.96 1 114 GLU 1.85 1.45 1 115 MET -0.22 0.81 1 117 GLU -2.71 -1.83 1 118 VAL 0.98 -0.67 1 119 ALA 2.34 0.62 1 121 GLU 3.68 0.71 1 122 TYR -0.96 -1.59 1 123 ARG -2.04 0.40 1 124 HIS 1.93 1.56 1 125 ASP -1.51 -3.84 1 126 SER 0.42 0.05 1 128 ASP 0.27 -0.44 1 131 MET 3.55 -0.65 1 132 ILE 8.07 5.39 1 140 VAL 5.52 3.60 1 141 ILE 4.35 1.56 1 142 THR 3.31 1.89 1 143 LYS -0.35 -2.38 1 144 LEU 2.95 1.41 1 145 ALA 2.35 0.74 1 146 ALA 1.44 0.44 1 148 ASP -1.31 -1.73 1 149 ARG 2.48 -1.02 1 150 SER 4.41 2.55 1 152 LEU 4.78 3.27 1 153 THR 6.82 4.50 1 154 ALA 3.74 1.96 1 155 VAL 7.06 4.25 1 156 ILE 5.51 4.54 1 157 ARG 4.70 2.99 1 158 ARG 4.41 2.23 1 159 ALA 4.84 2.86 1 160 ASN 2.80 1.63 1 161 ASN 1.48 1.88 1 162 VAL 3.30 1.87 1 163 LEU 1.15 -1.91 1 164 LYS 5.70 3.80 1 165 ASN 5.12 2.82 1 166 GLU 6.92 4.32 1 167 MET 4.29 3.48 1 168 LYS 3.41 1.38 1 169 ARG 0.62 1.56 1 170 TYR -1.95 -0.84 1 171 LYS 3.29 2.02 1 173 LEU 3.62 -0.63 1 174 LEU -2.17 -2.19 1 176 LYS 5.87 3.69 1 177 ASP 2.84 1.99 1 178 ILE 5.92 4.23 1 179 ALA 4.77 2.99 1 180 ASN 4.33 3.01 1 181 SER 3.22 2.22 1 182 PHE 7.21 5.10 1 183 TYR 7.74 5.73 1 184 GLU 4.03 2.61 1 185 VAL 5.85 2.97 1 186 PHE 1.69 -0.05 1 187 GLU 2.06 1.39 1 188 LYS 1.52 0.84 1 189 HIS -1.44 -1.66 1 191 HIS 4.01 2.43 1 192 PHE 3.69 0.35 1 193 ILE 7.08 4.57 1 194 ASP 4.19 3.21 1 195 VAL 6.41 4.55 1 196 PHE 5.64 4.85 1 197 VAL 6.49 4.17 1 198 HIS 5.88 5.43 1 199 PHE 5.74 3.17 1 201 ILE 4.71 3.31 1 202 ALA 4.04 1.73 1 203 GLN 5.67 1.66 1 204 SER 3.88 2.72 1 205 SER 0.99 0.56 1 206 THR 0.05 -0.28 1 207 ARG 0.12 -0.70 1 210 SER -2.02 -1.25 1 211 ARG 5.56 3.09 1 212 VAL 6.71 3.87 1 213 GLU 6.39 3.63 1 215 ILE 5.57 3.59 1 216 PHE 6.56 4.93 1 217 ALA 3.93 1.96 1 219 LEU 2.09 1.15 1 222 ASN 2.02 1.26 1 223 ALA 1.15 0.33 1 224 TYR 1.07 0.66 1 226 LEU 1.16 -0.16 1 227 GLU 0.54 -0.47 1 228 HIS 0.59 0.52 1 229 HIS 0.52 0.45 1 231 HIS 0.21 0.32 1 232 HIS 0.10 0.24 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25705_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -5.74 _LACS_plot.Line_1_terminator_val_y_1 2.08 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.50 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.13 _LACS_plot.Line_2_terminator_val_x_2 9.22 _LACS_plot.Line_2_terminator_val_y_2 -2.92 _LACS_plot.Y_axis_chem_shift_offset 0.60 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 73 HIS -4.44 4.31 0 40 MET 5.39 -6.04 0 10 ASN -5.74 1.30 1 11 TYR 1.33 -0.86 1 12 ASP 4.11 -2.90 1 13 VAL 0.61 -2.57 1 14 GLN 2.82 0.47 1 15 LYS 5.85 -2.69 1 16 HIS 3.59 1.00 1 17 ILE 6.49 -2.27 1 18 ASN 4.70 0.08 1 19 LYS 4.24 -2.15 1 20 LEU 3.92 -1.00 1 23 MET 5.40 -0.97 1 24 LEU 3.29 -0.81 1 25 LEU 4.89 -3.01 1 26 ILE 0.92 -0.51 1 27 THR 2.71 -1.70 1 28 GLU 1.54 -1.21 1 29 ASP 1.91 -2.57 1 30 ALA 1.05 -1.08 1 31 ASN 0.50 -1.93 1 32 HIS 1.67 0.82 1 33 LYS 4.68 -1.74 1 34 PHE 0.30 -1.48 1 37 LEU 4.08 -1.84 1 38 ILE 6.59 -1.82 1 41 LEU 4.63 -2.38 1 42 TYR 5.95 -2.57 1 43 ALA 5.66 -3.54 1 44 MET 4.93 -0.51 1 45 SER 4.11 -1.80 1 46 ARG 2.61 -2.14 1 47 LEU 0.76 0.57 1 49 ARG 3.89 -1.29 1 50 GLU 4.96 -2.07 1 51 ASP 4.42 -2.05 1 52 THR 9.22 -2.61 1 53 ILE 6.24 -2.05 1 54 LYS 4.98 -1.66 1 55 ILE 4.41 -1.90 1 56 LEU 4.16 -1.79 1 57 ARG 4.98 -2.35 1 58 ASP 4.44 -2.12 1 59 ALA 0.27 -1.19 1 61 TYR 0.70 -1.19 1 62 HIS 0.55 -0.93 1 63 VAL -2.40 0.15 1 64 LYS 0.12 -1.14 1 65 ALA -1.50 0.14 1 66 ASN -2.42 1.27 1 68 VAL -1.09 0.06 1 69 ASP -4.74 2.03 1 70 VAL -0.17 -1.24 1 71 THR -3.07 0.37 1 72 THR -0.56 -0.10 1 74 ARG -2.07 0.04 1 75 GLN -3.88 2.71 1 76 ASP 0.07 -0.52 1 77 ILE -0.55 -1.44 1 78 ASN 2.61 -1.97 1 80 LYS -3.07 0.55 1 81 GLU 1.01 -0.79 1 82 MET -3.45 1.93 1 83 LYS -2.06 0.45 1 84 PHE -3.90 2.47 1 85 GLU -0.68 -0.65 1 86 VAL -5.60 1.59 1 87 LEU -3.80 0.50 1 88 THR -1.94 -1.42 1 89 LEU -3.15 0.10 1 90 ALA 2.56 -1.64 1 91 SER 1.04 -0.12 1 92 LEU -3.25 1.45 1 93 THR -1.33 0.46 1 94 THR 6.56 -2.13 1 95 GLU 4.55 -1.69 1 96 ILE 5.25 -2.61 1 97 GLN 4.57 -0.19 1 98 ILE 6.12 -2.86 1 99 ASN 4.71 -1.48 1 100 ILE 5.77 -1.67 1 101 GLU 5.63 -2.87 1 102 ILE 6.45 -2.07 1 103 GLU 4.23 -2.07 1 104 SER 3.66 -0.86 1 105 ARG 4.92 -1.86 1 106 LYS 4.85 -1.68 1 107 SER 4.31 -0.48 1 108 TYR 4.60 -1.15 1 109 LYS 5.17 -2.05 1 110 LYS 4.63 -1.60 1 111 MET 3.65 -0.18 1 112 LEU 3.69 -1.56 1 113 LYS 3.79 -1.83 1 114 GLU 1.85 -0.40 1 115 MET -0.22 1.03 1 117 GLU -2.71 0.88 1 118 VAL 0.98 -1.65 1 119 ALA 2.34 -1.72 1 121 GLU 3.68 -2.97 1 122 TYR -0.96 -0.63 1 123 ARG -2.04 2.44 1 124 HIS 1.93 -0.37 1 125 ASP -1.51 -2.33 1 126 SER 0.42 -0.37 1 128 ASP 0.27 -0.71 1 131 MET 3.55 -4.20 1 132 ILE 8.07 -2.68 1 140 VAL 5.52 -1.92 1 141 ILE 4.35 -2.79 1 142 THR 3.31 -1.42 1 143 LYS -0.35 -2.03 1 144 LEU 2.95 -1.54 1 145 ALA 2.35 -1.61 1 146 ALA 1.44 -1.00 1 148 ASP -1.31 -0.42 1 149 ARG 2.48 -3.50 1 150 SER 4.41 -1.86 1 152 LEU 4.78 -1.51 1 153 THR 6.82 -2.32 1 154 ALA 3.74 -1.78 1 155 VAL 7.06 -2.81 1 156 ILE 5.51 -0.97 1 157 ARG 4.70 -1.71 1 158 ARG 4.41 -2.18 1 159 ALA 4.84 -1.98 1 160 ASN 2.80 -1.17 1 161 ASN 1.48 0.40 1 162 VAL 3.30 -1.43 1 163 LEU 1.15 -3.06 1 164 LYS 5.70 -1.90 1 165 ASN 5.12 -2.30 1 166 GLU 6.92 -2.60 1 167 MET 4.29 -0.81 1 168 LYS 3.41 -2.03 1 169 ARG 0.62 0.94 1 170 TYR -1.95 1.11 1 171 LYS 3.29 -1.27 1 173 LEU 3.62 -4.25 1 174 LEU -2.17 -0.02 1 176 LYS 5.87 -2.18 1 177 ASP 2.84 -0.85 1 178 ILE 5.92 -1.69 1 179 ALA 4.77 -1.78 1 180 ASN 4.33 -1.32 1 181 SER 3.22 -1.00 1 182 PHE 7.21 -2.11 1 183 TYR 7.74 -2.01 1 184 GLU 4.03 -1.42 1 185 VAL 5.85 -2.88 1 186 PHE 1.69 -1.74 1 187 GLU 2.06 -0.67 1 188 LYS 1.52 -0.68 1 189 HIS -1.44 -0.22 1 191 HIS 4.01 -1.58 1 192 PHE 3.69 -3.34 1 193 ILE 7.08 -2.51 1 194 ASP 4.19 -0.98 1 195 VAL 6.41 -1.86 1 196 PHE 5.64 -0.79 1 197 VAL 6.49 -2.32 1 198 HIS 5.88 -0.45 1 199 PHE 5.74 -2.57 1 201 ILE 4.71 -1.40 1 202 ALA 4.04 -2.31 1 203 GLN 5.67 -4.01 1 204 SER 3.88 -1.16 1 205 SER 0.99 -0.43 1 206 THR 0.05 -0.33 1 207 ARG 0.12 -0.82 1 210 SER -2.02 0.77 1 211 ARG 5.56 -2.47 1 212 VAL 6.71 -2.84 1 213 GLU 6.39 -2.76 1 215 ILE 5.57 -1.98 1 216 PHE 6.56 -1.63 1 217 ALA 3.93 -1.97 1 219 LEU 2.09 -0.94 1 222 ASN 2.02 -0.76 1 223 ALA 1.15 -0.82 1 224 TYR 1.07 -0.41 1 226 LEU 1.16 -1.32 1 227 GLU 0.54 -1.01 1 228 HIS 0.59 -0.07 1 229 HIS 0.52 -0.07 1 231 HIS 0.21 0.11 1 232 HIS 0.10 0.14 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25705_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -5.74 _LACS_plot.Line_1_terminator_val_y_1 -2.20 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.67 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.67 _LACS_plot.Line_2_terminator_val_x_2 9.22 _LACS_plot.Line_2_terminator_val_y_2 2.86 _LACS_plot.Y_axis_chem_shift_offset 0.06 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 154 ALA 3.74 -5.19 0 219 LEU 2.09 -5.71 0 202 ALA 4.04 -5.44 0 112 LEU 3.69 -5.87 0 10 ASN -5.74 0.13 1 11 TYR 1.33 1.93 1 12 ASP 4.11 1.59 1 13 VAL 0.61 -0.61 1 14 GLN 2.82 2.09 1 15 LYS 5.85 2.91 1 16 HIS 3.59 4.30 1 17 ILE 6.49 1.53 1 18 ASN 4.70 1.27 1 19 LYS 4.24 1.28 1 20 LEU 3.92 0.85 1 23 MET 5.40 1.88 1 24 LEU 3.29 0.93 1 25 LEU 4.89 0.85 1 26 ILE 0.92 0.38 1 27 THR 2.71 -1.35 1 29 ASP 1.91 -1.08 1 30 ALA 1.05 -1.64 1 32 HIS 1.67 2.29 1 33 LYS 4.68 1.56 1 34 PHE 0.30 -0.63 1 38 ILE 6.59 1.31 1 40 MET 5.39 2.83 1 41 LEU 4.63 1.18 1 42 TYR 5.95 2.14 1 43 ALA 5.66 1.36 1 44 MET 4.93 0.94 1 45 SER 4.11 -0.09 1 46 ARG 2.61 1.32 1 47 LEU 0.76 1.54 1 49 ARG 3.89 0.53 1 50 GLU 4.96 -4.60 1 51 ASP 4.42 2.27 1 52 THR 9.22 0.79 1 53 ILE 6.24 1.19 1 54 LYS 4.98 1.40 1 55 ILE 4.41 2.74 1 56 LEU 4.16 0.87 1 57 ARG 4.98 -2.71 1 58 ASP 4.44 1.30 1 59 ALA 0.27 -0.83 1 61 TYR 0.70 -0.53 1 62 HIS 0.55 -0.14 1 63 VAL -2.40 -1.83 1 64 LYS 0.12 -2.16 1 65 ALA -1.50 -0.62 1 66 ASN -2.42 -1.19 1 68 VAL -1.09 -3.05 1 69 ASP -4.74 -2.00 1 70 VAL -0.17 -0.14 1 71 THR -3.07 -2.52 1 72 THR -0.56 -0.60 1 73 HIS -4.44 -0.76 1 74 ARG -2.07 -1.49 1 75 GLN -3.88 -2.51 1 76 ASP 0.07 -0.37 1 77 ILE -0.55 -0.21 1 78 ASN 2.61 -0.10 1 80 LYS -3.07 -1.83 1 81 GLU 1.01 -0.83 1 82 MET -3.45 -2.86 1 83 LYS -2.06 -1.46 1 84 PHE -3.90 -1.22 1 85 GLU -0.68 -0.67 1 86 VAL -5.60 -2.66 1 87 LEU -3.80 1.96 1 88 THR -1.94 -0.28 1 89 LEU -3.15 -1.51 1 90 ALA 2.56 -5.23 1 91 SER 1.04 -0.86 1 92 LEU -3.25 -2.84 1 93 THR -1.33 1.18 1 94 THR 6.56 0.63 1 95 GLU 4.55 1.62 1 96 ILE 5.25 1.95 1 97 GLN 4.57 2.61 1 98 ILE 6.12 0.77 1 99 ASN 4.71 2.79 1 100 ILE 5.77 2.83 1 101 GLU 5.63 -4.39 1 102 ILE 6.45 3.10 1 103 GLU 4.23 -4.65 1 104 SER 3.66 1.58 1 105 ARG 4.92 3.33 1 106 LYS 4.85 -4.46 1 107 SER 4.31 2.16 1 108 TYR 4.60 1.12 1 109 LYS 5.17 2.66 1 110 LYS 4.63 -2.74 1 111 MET 3.65 1.71 1 113 LYS 3.79 1.71 1 114 GLU 1.85 1.69 1 115 MET -0.22 1.44 1 117 GLU -2.71 -1.88 1 118 VAL 0.98 -1.03 1 121 GLU 3.68 -1.06 1 122 TYR -0.96 -0.04 1 123 ARG -2.04 1.86 1 124 HIS 1.93 -2.18 1 125 ASP -1.51 0.18 1 128 ASP 0.27 0.27 1 131 MET 3.55 2.91 1 140 VAL 5.52 1.65 1 141 ILE 4.35 0.22 1 142 THR 3.31 0.54 1 143 LYS -0.35 1.37 1 144 LEU 2.95 1.21 1 145 ALA 2.35 -0.08 1 146 ALA 1.44 1.14 1 148 ASP -1.31 1.11 1 149 ARG 2.48 1.33 1 150 SER 4.41 2.11 1 152 LEU 4.78 0.31 1 153 THR 6.82 1.49 1 155 VAL 7.06 0.92 1 156 ILE 5.51 1.00 1 157 ARG 4.70 3.04 1 158 ARG 4.41 2.69 1 159 ALA 4.84 0.29 1 160 ASN 2.80 1.23 1 161 ASN 1.48 2.19 1 162 VAL 3.30 1.07 1 163 LEU 1.15 -0.73 1 164 LYS 5.70 2.62 1 165 ASN 5.12 2.08 1 166 GLU 6.92 1.58 1 167 MET 4.29 0.95 1 168 LYS 3.41 1.54 1 169 ARG 0.62 -0.51 1 170 TYR -1.95 0.29 1 171 LYS 3.29 1.52 1 173 LEU 3.62 -4.91 1 176 LYS 5.87 0.26 1 177 ASP 2.84 3.37 1 178 ILE 5.92 0.70 1 179 ALA 4.77 1.64 1 180 ASN 4.33 1.50 1 181 SER 3.22 3.99 1 182 PHE 7.21 1.01 1 183 TYR 7.74 2.18 1 184 GLU 4.03 1.84 1 185 VAL 5.85 0.99 1 186 PHE 1.69 2.17 1 187 GLU 2.06 2.47 1 188 LYS 1.52 0.19 1 191 HIS 4.01 3.42 1 192 PHE 3.69 2.96 1 193 ILE 7.08 0.68 1 194 ASP 4.19 3.28 1 196 PHE 5.64 0.92 1 197 VAL 6.49 1.22 1 198 HIS 5.88 4.07 1 199 PHE 5.74 -0.07 1 201 ILE 4.71 2.39 1 203 GLN 5.67 2.28 1 204 SER 3.88 0.50 1 205 SER 0.99 0.05 1 206 THR 0.05 -0.54 1 207 ARG 0.12 0.24 1 210 SER -2.02 0.88 1 211 ARG 5.56 -4.33 1 212 VAL 6.71 3.10 1 213 GLU 6.39 3.07 1 215 ILE 5.57 2.68 1 216 PHE 6.56 0.43 1 217 ALA 3.93 -5.02 1 222 ASN 2.02 0.15 1 223 ALA 1.15 -0.32 1 224 TYR 1.07 0.34 1 226 LEU 1.16 -0.14 1 227 GLU 0.54 -0.40 1 228 HIS 0.59 0.55 1 231 HIS 0.21 0.36 1 232 HIS 0.10 -0.36 1 stop_ save_