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 bmr27048_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.79 _LACS_plot.Line_1_terminator_val_y_1 -3.39 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.90 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.06 _LACS_plot.Line_2_terminator_val_x_2 7.88 _LACS_plot.Line_2_terminator_val_y_2 6.06 _LACS_plot.Y_axis_chem_shift_offset -0.24 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 164 ASP -8.41 -1.41 0 10 ARG 2.78 3.29 1 11 ALA 2.12 2.52 1 12 LEU 4.54 5.17 1 13 LYS 1.98 1.51 1 14 LEU -1.56 -1.61 1 15 MET 3.02 3.92 1 16 ASP 0.90 -1.35 1 17 LEU 1.45 1.59 1 18 THR 0.06 2.34 1 19 THR 0.33 0.97 1 20 LEU -2.85 -2.35 1 21 ASN -3.02 -1.13 1 22 ASP 3.63 2.73 1 23 ASP -0.33 -1.95 1 24 ASP 2.98 3.11 1 25 THR -7.05 -3.06 1 26 ASP 5.17 4.04 1 27 GLU 4.35 3.77 1 28 LYS 2.72 2.49 1 29 VAL 6.44 4.82 1 30 ILE 5.89 5.54 1 31 ALA 4.23 2.80 1 32 LEU 2.54 3.10 1 34 HIS 1.97 1.38 1 35 GLN 2.59 2.18 1 36 ALA 1.59 1.25 1 37 LYS -2.60 -2.54 1 38 THR 2.29 0.83 1 40 VAL -1.43 -2.72 1 42 ASN -2.64 -1.48 1 43 THR 2.51 0.89 1 44 ALA 4.25 2.55 1 45 ALA -5.33 -1.59 1 46 ILE -4.53 -2.13 1 48 ILE -7.02 -2.20 1 49 TYR 4.81 3.22 1 51 ARG 2.91 -0.02 1 52 PHE -1.31 -0.19 1 53 ILE 1.88 0.78 1 55 ILE 2.31 2.33 1 56 ALA 5.91 3.39 1 57 ARG 2.63 2.65 1 58 GLU 6.60 5.59 1 59 THR 3.96 2.85 1 60 LEU 4.87 3.96 1 61 LYS 3.37 2.93 1 62 GLU 1.07 -1.40 1 63 GLN -2.40 -2.24 1 65 THR 2.23 0.62 1 67 GLU 4.49 3.22 1 68 ILE -1.60 -0.84 1 69 ARG 0.51 0.57 1 70 ILE -4.58 -3.78 1 71 ALA -3.49 -3.24 1 72 THR -7.85 -5.31 1 73 VAL -5.75 -2.27 1 74 THR -2.60 0.67 1 75 ASN -6.12 -0.85 1 76 PHE 0.01 1.44 1 78 HIS 0.94 0.41 1 80 ASN -0.76 -1.69 1 81 ASP -1.16 -0.87 1 82 ASP 5.50 5.02 1 83 ILE 4.89 3.84 1 84 ASP 4.44 3.01 1 85 ILE 4.98 3.41 1 86 ALA 2.83 2.72 1 87 LEU 4.57 3.37 1 88 ALA 2.74 3.42 1 89 GLU 5.54 6.96 1 90 THR 5.83 4.90 1 91 ARG 4.10 2.45 1 92 ALA 4.06 3.39 1 93 ALA 4.60 4.72 1 94 ILE 4.03 2.65 1 95 ALA 0.49 2.18 1 96 TRP 1.51 1.53 1 98 ALA 0.19 2.35 1 99 ASP -6.96 -2.99 1 100 GLU -3.11 -0.87 1 101 VAL -0.08 -2.29 1 102 ASP -6.03 -3.63 1 103 VAL 3.43 0.96 1 104 VAL -3.17 0.81 1 105 PHE 3.29 2.57 1 107 TYR 6.03 4.08 1 108 ARG 3.57 2.58 1 109 ALA 4.19 3.20 1 110 LEU 3.40 4.52 1 111 MET 0.10 -0.34 1 112 ALA -0.39 -1.48 1 114 ASN 0.12 0.85 1 115 GLU 3.02 2.52 1 116 GLN 4.70 2.71 1 117 VAL 4.26 3.76 1 119 PHE 3.65 3.35 1 120 ASP 4.79 5.73 1 121 LEU 7.89 5.88 1 122 VAL 4.02 3.54 1 123 LYS 3.82 2.62 1 124 ALA 4.97 2.20 1 126 LYS 3.89 3.31 1 127 GLU 3.67 2.42 1 128 ALA 3.94 2.86 1 130 ALA 2.66 1.74 1 131 ALA -3.63 -1.64 1 132 ALA 3.47 1.77 1 133 ASN -2.88 -1.08 1 134 VAL -2.24 -0.01 1 135 LEU -5.17 -1.80 1 136 LEU -3.69 -3.28 1 137 LYS -2.37 -0.92 1 138 VAL -1.36 -0.86 1 139 ILE 2.84 1.42 1 140 ILE -2.42 -2.26 1 141 GLU 6.91 4.22 1 142 THR -2.01 -0.37 1 144 GLU 1.37 3.26 1 145 LEU 7.30 6.69 1 146 LYS -2.16 0.02 1 147 ASP 4.31 3.89 1 148 GLU 3.90 2.92 1 149 ALA 1.11 2.17 1 150 LEU 5.30 5.02 1 151 ILE 6.15 4.86 1 152 ARG 4.02 2.37 1 153 LYS 3.11 2.86 1 154 ALA 6.72 5.87 1 155 SER 2.55 3.28 1 156 GLU 4.77 4.88 1 157 ILE 6.87 5.90 1 158 SER 5.57 5.24 1 159 ILE 4.57 3.96 1 160 LYS -0.94 0.58 1 161 ALA 1.29 2.04 1 163 ALA 0.58 1.72 1 165 PHE -2.26 -0.42 1 166 ILE -8.69 -3.52 1 167 LYS 5.87 4.65 1 168 THR -3.77 0.59 1 169 SER -0.33 1.65 1 170 THR -1.14 -2.02 1 172 LYS -3.09 -2.76 1 173 VAL 3.39 3.31 1 174 ALA -0.09 0.16 1 175 VAL -1.27 -0.55 1 176 ASN 3.00 2.71 1 177 ALA -1.88 -0.56 1 178 THR 5.09 4.16 1 180 GLU 4.71 3.52 1 181 SER 1.92 2.32 1 182 ALA 5.48 4.49 1 183 ARG 4.34 4.26 1 184 ILE 4.42 5.10 1 185 MET 3.60 5.22 1 186 MET 4.04 3.66 1 187 GLU 7.11 5.11 1 188 VAL 5.18 4.55 1 189 ILE 4.52 3.44 1 190 ARG 4.54 3.33 1 191 ASP 0.29 1.78 1 192 MET 0.99 -1.50 1 194 VAL 5.14 2.51 1 195 GLU 3.21 3.14 1 196 LYS -0.02 0.03 1 197 THR -1.46 -0.27 1 198 VAL -6.25 -1.46 1 200 PHE -7.07 -1.78 1 203 ALA 2.58 0.14 1 206 VAL -0.56 2.04 1 207 ARG -6.26 -3.19 1 208 THR 3.61 2.62 1 209 ALA 5.60 4.42 1 210 GLU 2.89 3.35 1 211 ASP 5.03 3.19 1 212 ALA 4.49 4.01 1 213 GLN 4.34 3.43 1 214 LYS 6.23 5.71 1 215 TYR 3.30 2.81 1 216 LEU 3.90 2.60 1 217 ALA 3.76 4.20 1 218 ILE 3.68 3.22 1 219 ALA 3.83 2.48 1 220 ASP 2.38 2.35 1 221 GLU 2.31 2.31 1 222 LEU -2.59 -0.43 1 223 PHE -0.05 0.06 1 225 ALA 0.02 0.14 1 226 ASP 4.03 4.09 1 227 TRP 3.85 0.88 1 228 ALA -2.41 -2.14 1 229 ASP 4.20 2.65 1 230 ALA 0.11 -2.31 1 231 ARG 1.82 1.42 1 232 HIS -6.74 -0.67 1 233 TYR -8.79 -3.95 1 234 ARG -3.74 -0.13 1 235 PHE -6.31 -0.70 1 237 ALA 0.26 1.39 1 240 LEU 4.73 3.91 1 241 LEU 3.66 2.81 1 242 ALA 3.49 3.07 1 243 SER 4.41 2.83 1 244 LEU 4.95 3.26 1 245 LEU 4.28 3.41 1 246 LYS 3.97 2.41 1 247 ALA -0.86 -0.31 1 248 LEU -2.65 1.00 1 250 HIS -1.00 -0.55 1 252 ASP 0.25 0.28 1 254 LYS -0.83 -0.30 1 255 SER -0.06 0.05 1 256 ALA -0.38 -0.18 1 257 SER 0.11 0.28 1 258 SER 0.78 1.67 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27048_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.79 _LACS_plot.Line_1_terminator_val_y_1 5.40 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.10 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.94 _LACS_plot.Line_2_terminator_val_x_2 7.88 _LACS_plot.Line_2_terminator_val_y_2 -1.82 _LACS_plot.Y_axis_chem_shift_offset -0.24 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 164 ASP -8.41 7.00 0 10 ARG 2.78 0.51 1 11 ALA 2.12 0.40 1 12 LEU 4.54 0.63 1 13 LYS 1.98 -0.47 1 14 LEU -1.56 -0.05 1 15 MET 3.02 0.90 1 16 ASP 0.90 -2.25 1 17 LEU 1.45 0.14 1 18 THR 0.06 2.28 1 19 THR 0.33 0.64 1 20 LEU -2.85 0.50 1 21 ASN -3.02 1.89 1 22 ASP 3.63 -0.90 1 23 ASP -0.33 -1.62 1 24 ASP 2.98 0.13 1 25 THR -7.05 3.99 1 26 ASP 5.17 -1.13 1 27 GLU 4.35 -0.58 1 28 LYS 2.72 -0.23 1 29 VAL 6.44 -1.62 1 30 ILE 5.89 -0.35 1 31 ALA 4.23 -1.43 1 32 LEU 2.54 0.56 1 34 HIS 1.97 -0.59 1 35 GLN 2.59 -0.41 1 36 ALA 1.59 -0.34 1 37 LYS -2.60 0.06 1 38 THR 2.29 -1.46 1 40 VAL -1.43 -1.29 1 42 ASN -2.64 1.16 1 43 THR 2.51 -1.62 1 44 ALA 4.25 -1.70 1 45 ALA -5.33 3.74 1 46 ILE -4.53 2.40 1 48 ILE -7.02 4.82 1 49 TYR 4.81 -1.59 1 51 ARG 2.91 -2.93 1 52 PHE -1.31 1.12 1 53 ILE 1.88 -1.10 1 55 ILE 2.31 0.02 1 56 ALA 5.91 -2.52 1 57 ARG 2.63 0.02 1 58 GLU 6.60 -1.01 1 59 THR 3.96 -1.11 1 60 LEU 4.87 -0.91 1 61 LYS 3.37 -0.44 1 62 GLU 1.07 -2.47 1 63 GLN -2.40 0.16 1 65 THR 2.23 -1.61 1 67 GLU 4.49 -1.27 1 68 ILE -1.60 0.76 1 69 ARG 0.51 0.06 1 70 ILE -4.58 0.80 1 71 ALA -3.49 0.25 1 72 THR -7.85 2.54 1 73 VAL -5.75 3.48 1 74 THR -2.60 3.27 1 75 ASN -6.12 5.27 1 76 PHE 0.01 1.43 1 78 HIS 0.94 -0.53 1 80 ASN -0.76 -0.93 1 81 ASP -1.16 0.29 1 82 ASP 5.50 -0.48 1 83 ILE 4.89 -1.05 1 84 ASP 4.44 -1.43 1 85 ILE 4.98 -1.57 1 86 ALA 2.83 -0.11 1 87 LEU 4.57 -1.20 1 88 ALA 2.74 0.68 1 89 GLU 5.54 1.42 1 90 THR 5.83 -0.93 1 91 ARG 4.10 -1.65 1 92 ALA 4.06 -0.67 1 93 ALA 4.60 0.12 1 94 ILE 4.03 -1.38 1 95 ALA 0.49 1.69 1 96 TRP 1.51 0.02 1 98 ALA 0.19 2.16 1 99 ASP -6.96 3.97 1 100 GLU -3.11 2.24 1 101 VAL -0.08 -2.21 1 102 ASP -6.03 2.40 1 103 VAL 3.43 -2.47 1 104 VAL -3.17 3.98 1 105 PHE 3.29 -0.72 1 107 TYR 6.03 -1.95 1 108 ARG 3.57 -0.99 1 109 ALA 4.19 -0.99 1 110 LEU 3.40 1.12 1 111 MET 0.10 -0.44 1 112 ALA -0.39 -1.09 1 114 ASN 0.12 0.73 1 115 GLU 3.02 -0.50 1 116 GLN 4.70 -1.99 1 117 VAL 4.26 -0.50 1 119 PHE 3.65 -0.30 1 120 ASP 4.79 0.94 1 121 LEU 7.89 -2.01 1 122 VAL 4.02 -0.48 1 123 LYS 3.82 -1.20 1 124 ALA 4.97 -2.77 1 126 LYS 3.89 -0.58 1 127 GLU 3.67 -1.25 1 128 ALA 3.94 -1.08 1 130 ALA 2.66 -0.92 1 131 ALA -3.63 1.99 1 132 ALA 3.47 -1.70 1 133 ASN -2.88 1.80 1 134 VAL -2.24 2.23 1 135 LEU -5.17 3.37 1 136 LEU -3.69 0.41 1 137 LYS -2.37 1.45 1 138 VAL -1.36 0.50 1 139 ILE 2.84 -1.42 1 140 ILE -2.42 0.16 1 141 GLU 6.91 -2.69 1 142 THR -2.01 1.64 1 144 GLU 1.37 1.89 1 145 LEU 7.30 -0.61 1 146 LYS -2.16 2.18 1 147 ASP 4.31 -0.42 1 148 GLU 3.90 -0.98 1 149 ALA 1.11 1.06 1 150 LEU 5.30 -0.28 1 151 ILE 6.15 -1.29 1 152 ARG 4.02 -1.65 1 153 LYS 3.11 -0.25 1 154 ALA 6.72 -0.85 1 155 SER 2.55 0.73 1 156 GLU 4.77 0.11 1 157 ILE 6.87 -0.97 1 158 SER 5.57 -0.33 1 159 ILE 4.57 -0.61 1 160 LYS -0.94 1.52 1 161 ALA 1.29 0.75 1 163 ALA 0.58 1.14 1 165 PHE -2.26 1.84 1 166 ILE -8.69 5.17 1 167 LYS 5.87 -1.22 1 168 THR -3.77 4.36 1 169 SER -0.33 1.98 1 170 THR -1.14 -0.88 1 172 LYS -3.09 0.33 1 173 VAL 3.39 -0.08 1 174 ALA -0.09 0.25 1 175 VAL -1.27 0.72 1 176 ASN 3.00 -0.29 1 177 ALA -1.88 1.32 1 178 THR 5.09 -0.93 1 180 GLU 4.71 -1.19 1 181 SER 1.92 0.40 1 182 ALA 5.48 -0.99 1 183 ARG 4.34 -0.08 1 184 ILE 4.42 0.68 1 185 MET 3.60 1.62 1 186 MET 4.04 -0.38 1 187 GLU 7.11 -2.00 1 188 VAL 5.18 -0.63 1 189 ILE 4.52 -1.08 1 190 ARG 4.54 -1.21 1 191 ASP 0.29 1.49 1 192 MET 0.99 -2.49 1 194 VAL 5.14 -2.63 1 195 GLU 3.21 -0.07 1 196 LYS -0.02 0.05 1 197 THR -1.46 1.19 1 198 VAL -6.25 4.79 1 200 PHE -7.07 5.29 1 203 ALA 2.58 -2.44 1 206 VAL -0.56 2.60 1 207 ARG -6.26 3.07 1 208 THR 3.61 -0.99 1 209 ALA 5.60 -1.18 1 210 GLU 2.89 0.46 1 211 ASP 5.03 -1.84 1 212 ALA 4.49 -0.48 1 213 GLN 4.34 -0.91 1 214 LYS 6.23 -0.52 1 215 TYR 3.30 -0.49 1 216 LEU 3.90 -1.30 1 217 ALA 3.76 0.44 1 218 ILE 3.68 -0.46 1 219 ALA 3.83 -1.35 1 220 ASP 2.38 -0.03 1 221 GLU 2.31 0.00 1 222 LEU -2.59 2.16 1 223 PHE -0.05 0.11 1 225 ALA 0.02 0.12 1 226 ASP 4.03 0.06 1 227 TRP 3.85 -2.97 1 228 ALA -2.41 0.27 1 229 ASP 4.20 -1.55 1 230 ALA 0.11 -2.42 1 231 ARG 1.82 -0.40 1 232 HIS -6.74 6.07 1 233 TYR -8.79 4.84 1 234 ARG -3.74 3.61 1 235 PHE -6.31 5.61 1 237 ALA 0.26 1.13 1 240 LEU 4.73 -0.82 1 241 LEU 3.66 -0.85 1 242 ALA 3.49 -0.42 1 243 SER 4.41 -1.58 1 244 LEU 4.95 -1.69 1 245 LEU 4.28 -0.87 1 246 LYS 3.97 -1.56 1 247 ALA -0.86 0.55 1 248 LEU -2.65 3.65 1 250 HIS -1.00 0.45 1 252 ASP 0.25 0.03 1 254 LYS -0.83 0.53 1 255 SER -0.06 0.11 1 256 ALA -0.38 0.20 1 257 SER 0.11 0.17 1 258 SER 0.78 0.89 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27048_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.79 _LACS_plot.Line_1_terminator_val_y_1 1.04 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.13 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.29 _LACS_plot.Line_2_terminator_val_x_2 7.88 _LACS_plot.Line_2_terminator_val_y_2 -0.74 _LACS_plot.Y_axis_chem_shift_offset -0.08 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 51 ARG 2.91 -2.04 0 10 ARG 2.78 -0.40 1 11 ALA 2.12 -0.32 1 12 LEU 4.54 -0.82 1 13 LYS 1.98 0.13 1 14 LEU -1.56 0.40 1 15 MET 3.02 -0.11 1 16 ASP 0.90 -0.05 1 17 LEU 1.45 0.20 1 18 THR 0.06 0.72 1 19 THR 0.33 -0.11 1 20 LEU -2.85 -0.12 1 21 ASN -3.02 0.50 1 22 ASP 3.63 -0.18 1 23 ASP -0.33 0.08 1 24 ASP 2.98 -0.16 1 25 THR -7.05 0.52 1 26 ASP 5.17 -0.58 1 27 GLU 4.35 -0.49 1 28 LYS 2.72 -0.26 1 29 VAL 6.44 -0.72 1 30 ILE 5.89 -0.87 1 31 ALA 4.23 -0.34 1 32 LEU 2.54 -0.38 1 34 HIS 1.97 0.41 1 35 GLN 2.59 -0.35 1 36 ALA 1.59 -0.38 1 37 LYS -2.60 0.72 1 38 THR 2.29 0.56 1 40 VAL -1.43 0.40 1 42 ASN -2.64 1.27 1 43 THR 2.51 0.55 1 44 ALA 4.25 -0.20 1 45 ALA -5.33 1.06 1 46 ILE -4.53 1.21 1 48 ILE -7.02 0.93 1 49 TYR 4.81 -0.31 1 52 PHE -1.31 0.09 1 53 ILE 1.88 0.14 1 55 ILE 2.31 -0.23 1 56 ALA 5.91 -0.53 1 57 ARG 2.63 -0.24 1 58 GLU 6.60 -0.45 1 59 THR 3.96 -0.53 1 60 LEU 4.87 -0.49 1 61 LYS 3.37 -0.27 1 62 GLU 1.07 0.46 1 63 GLN -2.40 0.64 1 65 THR 2.23 -0.08 1 67 GLU 4.49 -0.51 1 68 ILE -1.60 -0.01 1 69 ARG 0.51 0.21 1 70 ILE -4.58 1.14 1 71 ALA -3.49 0.84 1 72 THR -7.85 1.76 1 73 VAL -5.75 0.36 1 74 THR -2.60 -0.19 1 75 ASN -6.12 -0.26 1 76 PHE 0.01 -0.55 1 78 HIS 0.94 -0.33 1 80 ASN -0.76 -0.46 1 81 ASP -1.16 0.10 1 82 ASP 5.50 -0.86 1 83 ILE 4.89 -0.31 1 84 ASP 4.44 -0.28 1 85 ILE 4.98 -0.40 1 86 ALA 2.83 -0.13 1 87 LEU 4.57 -0.19 1 88 ALA 2.74 -0.18 1 89 GLU 5.54 -0.40 1 90 THR 5.83 -0.40 1 91 ARG 4.10 -0.22 1 92 ALA 4.06 -0.15 1 93 ALA 4.60 -0.58 1 94 ILE 4.03 -0.17 1 95 ALA 0.49 -0.08 1 96 TRP 1.51 -0.61 1 98 ALA 0.19 0.26 1 99 ASP -6.96 0.91 1 100 GLU -3.11 -0.04 1 101 VAL -0.08 0.76 1 102 ASP -6.03 0.95 1 103 VAL 3.43 0.48 1 104 VAL -3.17 -0.69 1 105 PHE 3.29 -0.09 1 107 TYR 6.03 -0.16 1 108 ARG 3.57 -0.07 1 109 ALA 4.19 -0.25 1 110 LEU 3.40 -0.50 1 111 MET 0.10 0.19 1 112 ALA -0.39 0.25 1 114 ASN 0.12 -0.16 1 115 GLU 3.02 -0.35 1 116 GLN 4.70 0.07 1 117 VAL 4.26 -0.74 1 119 PHE 3.65 -0.32 1 120 ASP 4.79 -0.40 1 121 LEU 7.89 -0.92 1 122 VAL 4.02 -0.23 1 123 LYS 3.82 -0.11 1 124 ALA 4.97 -0.33 1 126 LYS 3.89 -0.33 1 127 GLU 3.67 -0.12 1 128 ALA 3.94 -0.17 1 130 ALA 2.66 -0.11 1 131 ALA -3.63 0.29 1 132 ALA 3.47 -0.40 1 133 ASN -2.88 0.13 1 134 VAL -2.24 0.13 1 135 LEU -5.17 1.25 1 136 LEU -3.69 0.92 1 137 LYS -2.37 0.85 1 138 VAL -1.36 0.15 1 139 ILE 2.84 0.29 1 140 ILE -2.42 0.71 1 141 GLU 6.91 -0.83 1 142 THR -2.01 0.12 1 144 GLU 1.37 0.00 1 145 LEU 7.30 -0.75 1 146 LYS -2.16 -0.10 1 147 ASP 4.31 -0.57 1 148 GLU 3.90 -0.23 1 149 ALA 1.11 -0.10 1 150 LEU 5.30 -0.65 1 151 ILE 6.15 -0.51 1 152 ARG 4.02 -0.10 1 153 LYS 3.11 -0.72 1 154 ALA 6.72 -0.53 1 155 SER 2.55 -0.42 1 156 GLU 4.77 -0.42 1 157 ILE 6.87 -0.41 1 158 SER 5.57 -0.60 1 159 ILE 4.57 -0.25 1 160 LYS -0.94 -0.64 1 161 ALA 1.29 -0.65 1 163 ALA 0.58 0.36 1 164 ASP -8.41 0.59 1 165 PHE -2.26 0.99 1 166 ILE -8.69 1.14 1 167 LYS 5.87 -0.34 1 168 THR -3.77 1.06 1 169 SER -0.33 -0.22 1 170 THR -1.14 0.30 1 172 LYS -3.09 0.53 1 173 VAL 3.39 -0.35 1 174 ALA -0.09 -0.15 1 175 VAL -1.27 0.26 1 176 ASN 3.00 -0.45 1 177 ALA -1.88 0.36 1 178 THR 5.09 -0.30 1 180 GLU 4.71 -0.31 1 181 SER 1.92 -0.08 1 182 ALA 5.48 -0.74 1 183 ARG 4.34 -0.67 1 184 ILE 4.42 -0.82 1 185 MET 3.60 -0.62 1 186 MET 4.04 -0.74 1 187 GLU 7.11 -0.41 1 188 VAL 5.18 -0.79 1 189 ILE 4.52 -0.14 1 190 ARG 4.54 -0.28 1 191 ASP 0.29 -0.14 1 192 MET 0.99 0.71 1 194 VAL 5.14 -0.18 1 195 GLU 3.21 0.20 1 196 LYS -0.02 0.08 1 197 THR -1.46 0.46 1 198 VAL -6.25 0.90 1 200 PHE -7.07 0.82 1 203 ALA 2.58 0.01 1 206 VAL -0.56 0.09 1 207 ARG -6.26 0.57 1 208 THR 3.61 -0.58 1 209 ALA 5.60 -0.48 1 210 GLU 2.89 -0.15 1 211 ASP 5.03 -0.35 1 212 ALA 4.49 -0.45 1 213 GLN 4.34 -0.26 1 214 LYS 6.23 -0.14 1 215 TYR 3.30 -0.40 1 216 LEU 3.90 -0.09 1 217 ALA 3.76 -0.50 1 218 ILE 3.68 -0.17 1 219 ALA 3.83 -0.63 1 220 ASP 2.38 -0.47 1 221 GLU 2.31 -0.58 1 222 LEU -2.59 0.07 1 223 PHE -0.05 0.03 1 225 ALA 0.02 -0.01 1 226 ASP 4.03 -0.73 1 227 TRP 3.85 -0.63 1 228 ALA -2.41 -0.02 1 229 ASP 4.20 0.15 1 230 ALA 0.11 0.08 1 231 ARG 1.82 -0.77 1 232 HIS -6.74 0.98 1 233 TYR -8.79 1.40 1 234 ARG -3.74 0.18 1 235 PHE -6.31 0.41 1 237 ALA 0.26 -0.14 1 240 LEU 4.73 -0.52 1 241 LEU 3.66 -0.19 1 242 ALA 3.49 -0.16 1 243 SER 4.41 -0.30 1 244 LEU 4.95 -0.36 1 245 LEU 4.28 -0.25 1 246 LYS 3.97 -0.20 1 247 ALA -0.86 -0.02 1 248 LEU -2.65 -0.04 1 250 HIS -1.00 0.01 1 252 ASP 0.25 0.06 1 254 LYS -0.83 0.03 1 255 SER -0.06 0.10 1 256 ALA -0.38 0.04 1 257 SER 0.11 0.00 1 258 SER 0.78 -0.14 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27048_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.79 _LACS_plot.Line_1_terminator_val_y_1 -2.58 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.81 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.76 _LACS_plot.Line_2_terminator_val_x_2 7.88 _LACS_plot.Line_2_terminator_val_y_2 2.87 _LACS_plot.Y_axis_chem_shift_offset -0.08 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 165 PHE -8.41 0.32 0 140 ILE 2.84 -4.58 0 167 LYS -8.69 0.89 0 10 ARG 2.78 2.26 1 11 ALA 2.12 0.83 1 12 LEU 4.54 1.43 1 13 LYS 1.98 -0.24 1 14 LEU -1.56 -0.05 1 15 MET 3.02 -0.85 1 16 ASP 0.90 -0.41 1 17 LEU 1.45 -0.92 1 18 THR 0.06 0.34 1 19 THR 0.33 -3.67 1 20 LEU -2.85 -1.71 1 22 ASP 3.63 -0.03 1 23 ASP -0.33 0.17 1 24 ASP 2.98 -1.12 1 25 THR -7.05 -0.11 1 26 ASP 5.17 1.36 1 27 GLU 4.35 2.90 1 28 LYS 2.72 2.89 1 29 VAL 6.44 1.43 1 30 ILE 5.89 1.16 1 31 ALA 4.23 2.60 1 32 LEU 2.54 1.13 1 34 HIS 1.97 3.74 1 35 GLN 2.59 -0.19 1 36 ALA 1.59 -2.26 1 37 LYS -2.60 -1.57 1 40 VAL -1.43 -1.93 1 42 ASN -2.64 1.69 1 43 THR 2.51 -1.44 1 44 ALA 4.25 1.81 1 45 ALA -5.33 0.25 1 46 ILE -4.53 -2.62 1 48 ILE -7.02 -0.47 1 51 ARG 2.91 0.03 1 52 PHE -1.31 -1.18 1 55 ILE 1.88 2.36 1 56 ALA 2.31 0.81 1 57 ARG 5.91 3.29 1 58 GLU 2.63 1.96 1 59 THR 6.60 2.48 1 60 LEU 3.96 0.56 1 61 LYS 4.87 4.16 1 62 GLU 3.37 1.41 1 63 GLN 1.07 0.01 1 67 GLU 2.23 0.88 1 68 ILE 4.49 -2.11 1 69 ARG -1.60 -1.21 1 70 ILE 0.51 -1.78 1 71 ALA -4.58 -3.14 1 72 THR -3.49 -2.82 1 73 VAL -7.85 -0.69 1 74 THR -5.75 -0.43 1 75 ASN -2.60 -0.68 1 78 HIS 0.01 3.03 1 80 ASN 0.94 -1.26 1 81 ASP -0.76 -2.22 1 82 ASP -1.16 1.06 1 83 ILE 5.50 -0.18 1 84 ASP 4.89 3.86 1 85 ILE 4.44 1.37 1 86 ALA 4.98 3.01 1 87 LEU 2.83 0.74 1 88 ALA 4.57 4.46 1 89 GLU 2.74 3.68 1 90 THR 5.54 0.78 1 91 ARG 5.83 3.38 1 92 ALA 4.10 1.31 1 93 ALA 4.06 1.59 1 94 ILE 4.60 3.86 1 95 ALA 4.03 2.39 1 96 TRP 0.49 0.51 1 98 ALA 1.51 -1.21 1 99 ASP 0.19 0.33 1 100 GLU -6.96 -2.67 1 101 VAL -3.11 -4.52 1 102 ASP -0.08 -2.03 1 103 VAL -6.03 -1.69 1 104 VAL 3.43 -1.83 1 107 TYR 3.29 1.77 1 108 ARG 6.03 4.06 1 109 ALA 3.57 2.48 1 110 LEU 4.19 3.35 1 111 MET 3.40 0.48 1 112 ALA 0.10 -0.20 1 114 ASN -0.39 -0.58 1 115 GLU 0.12 1.08 1 116 GLN 3.02 2.14 1 117 VAL 4.70 -0.23 1 119 PHE 4.26 0.41 1 120 ASP 3.65 3.06 1 121 LEU 4.79 1.00 1 122 VAL 7.89 0.48 1 123 LYS 4.02 2.10 1 124 ALA 3.82 3.60 1 126 LYS 4.97 0.76 1 127 GLU 3.89 3.39 1 128 ALA 3.67 2.16 1 130 ALA 3.94 3.63 1 131 ALA 2.66 -0.29 1 132 ALA -3.63 -1.83 1 133 ASN 3.47 -1.75 1 134 VAL -2.88 -0.39 1 135 LEU -2.24 -3.12 1 136 LEU -5.17 -0.87 1 137 LYS -3.69 -1.11 1 138 VAL -2.37 -1.38 1 139 ILE -1.36 -0.22 1 141 GLU -2.42 0.46 1 142 THR 6.91 3.06 1 144 GLU -2.01 0.88 1 145 LEU 1.37 2.61 1 146 LYS 7.30 -0.10 1 147 ASP -2.16 0.66 1 148 GLU 4.31 0.79 1 149 ALA 3.90 3.84 1 150 LEU 1.11 0.88 1 151 ILE 5.30 3.24 1 152 ARG 6.15 1.58 1 153 LYS 4.02 1.38 1 154 ALA 3.11 2.96 1 155 SER 6.72 -0.58 1 156 GLU 2.55 2.13 1 157 ILE 4.77 1.28 1 158 SER 6.87 0.99 1 159 ILE 5.57 4.17 1 160 LYS 4.57 1.70 1 161 ALA -0.94 -1.38 1 163 ALA 1.29 -1.60 1 164 ASP 0.58 0.10 1 166 ILE -2.26 -4.14 1 168 THR 5.87 3.42 1 169 SER -3.77 -1.87 1 170 THR -0.33 3.16 1 172 LYS -1.14 -0.58 1 173 VAL -3.09 -0.51 1 174 ALA 3.39 0.70 1 175 VAL -0.09 -1.81 1 176 ASN -1.27 -2.07 1 177 ALA 3.00 -0.95 1 180 GLU 5.09 2.50 1 181 SER 4.71 1.60 1 182 ALA 1.92 0.32 1 183 ARG 5.48 0.72 1 184 ILE 4.34 1.29 1 185 MET 4.42 1.79 1 186 MET 3.60 1.53 1 187 GLU 4.04 1.85 1 188 VAL 7.11 1.38 1 189 ILE 5.18 1.28 1 190 ARG 4.52 4.46 1 191 ASP 4.54 2.78 1 192 MET 0.29 0.57 1 194 VAL 0.99 -0.92 1 195 GLU 5.14 1.12 1 196 LYS 3.21 4.73 1 197 THR -0.02 -0.95 1 198 VAL -1.46 -2.79 1 200 PHE -6.25 -4.18 1 203 ALA -7.07 -1.68 1 206 VAL 2.58 -1.34 1 207 ARG -0.56 -0.13 1 208 THR -6.26 0.17 1 209 ALA 3.61 2.06 1 210 GLU 5.60 2.59 1 211 ASP 2.89 1.85 1 212 ALA 5.03 0.88 1 213 GLN 4.49 2.08 1 214 LYS 4.34 2.81 1 215 TYR 6.23 5.05 1 216 LEU 3.30 0.23 1 217 ALA 3.90 3.12 1 218 ILE 3.76 0.83 1 219 ALA 3.68 0.66 1 220 ASP 3.83 3.20 1 221 GLU 2.38 1.44 1 222 LEU 2.31 1.20 1 223 PHE -2.59 1.13 1 225 ALA -0.05 -0.21 1 226 ASP 0.02 0.33 1 227 TRP 4.03 0.90 1 228 ALA 3.85 -2.80 1 229 ASP -2.41 0.21 1 230 ALA 4.20 0.70 1 231 ARG 0.11 -3.15 1 232 HIS 1.82 -2.72 1 233 TYR -6.74 -1.95 1 234 ARG -8.79 -0.88 1 235 PHE -3.74 1.16 1 240 LEU 0.26 -0.07 1 241 LEU 4.73 -0.09 1 242 ALA 3.66 3.26 1 243 SER 3.49 3.55 1 244 LEU 4.41 1.06 1 245 LEU 4.95 2.15 1 246 LYS 4.28 3.97 1 247 ALA 3.97 1.11 1 248 LEU -0.86 -0.99 1 250 HIS -2.65 0.99 1 252 ASP -1.00 1.58 1 254 LYS 0.25 -0.09 1 255 SER -0.83 -0.30 1 256 ALA -0.06 -0.21 1 257 SER -0.38 -0.01 1 258 SER 0.11 -1.43 1 stop_ save_