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 bmr30375_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.77 _LACS_plot.Line_1_terminator_val_y_1 -5.55 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -2.13 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -4.22 _LACS_plot.Line_2_terminator_val_x_2 8.79 _LACS_plot.Line_2_terminator_val_y_2 3.59 _LACS_plot.Y_axis_chem_shift_offset 2.80 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 195 TYR -7.48 -3.27 0 244 ASN -1.68 0.73 0 228 ARG -5.93 -1.71 0 10 GLU 3.22 -0.11 1 11 GLU 3.24 0.30 1 12 LEU 4.89 0.27 1 13 GLU 3.42 0.09 1 14 ALA 3.92 -0.11 1 15 VAL 6.08 1.91 1 16 GLU 2.67 -0.42 1 17 ALA 2.37 -1.27 1 18 ILE 1.09 -1.77 1 19 TYR -2.72 -4.67 1 21 ASP 1.69 -1.77 1 22 LEU 2.43 -1.27 1 23 LEU -2.98 -3.25 1 24 SER -2.35 -3.84 1 25 LYS 1.18 -1.99 1 26 LYS -0.23 -3.21 1 27 GLN -3.41 -3.61 1 28 GLU 2.69 -0.40 1 29 ASP 0.88 -3.20 1 31 SER 3.61 0.42 1 32 ILE -2.96 -3.06 1 33 ILE -5.77 -4.90 1 34 VAL -1.86 -3.85 1 35 VAL -6.77 -6.52 1 36 LYS -2.25 -3.98 1 37 VAL 0.37 -3.48 1 39 GLN 1.39 0.69 1 40 HIS -2.15 -4.06 1 41 GLU 5.64 1.31 1 42 TYR -0.86 -4.78 1 43 MET -2.75 -4.28 1 44 THR -3.01 -4.85 1 45 LEU -4.60 -4.71 1 46 GLN -2.86 -3.98 1 47 ILE -4.95 -5.05 1 48 SER -5.90 -6.87 1 49 PHE -1.53 -3.07 1 51 THR 4.43 0.86 1 52 HIS 1.27 -3.79 1 53 TYR -1.67 -4.19 1 55 SER 8.00 2.49 1 56 GLU -4.48 -1.93 1 57 GLU -6.57 -4.54 1 58 ALA -1.01 -5.66 1 60 ASN -3.95 -4.44 1 61 VAL 2.29 -2.26 1 62 ILE 1.03 -2.38 1 63 GLU -4.07 -3.06 1 64 VAL -2.79 -3.90 1 66 VAL -4.49 -4.89 1 68 THR 2.49 -0.92 1 69 SER 0.95 -2.39 1 70 LEU 2.14 -1.95 1 71 ALA 2.20 -1.03 1 72 LYS 1.09 -3.28 1 73 ARG 3.38 -0.09 1 74 ASP 2.36 -1.57 1 75 LEU 0.38 -2.44 1 76 TYR -0.76 -3.46 1 77 ASP -1.26 -4.72 1 78 THR 6.45 1.43 1 79 LYS 4.44 0.08 1 80 TYR 2.70 -0.40 1 81 LEU 4.16 -0.97 1 82 GLN 7.18 2.04 1 83 HIS 3.85 0.88 1 84 LEU 3.69 -0.69 1 85 PHE 2.44 -3.53 1 86 GLN 4.08 0.17 1 87 GLU 4.21 0.50 1 88 VAL 6.12 1.43 1 89 MET 6.22 -0.03 1 90 ASP 3.77 0.15 1 91 SER 2.71 -0.78 1 92 VAL -0.17 -3.48 1 93 PHE 0.11 -2.63 1 94 HIS -2.75 -4.71 1 95 ARG 3.66 -0.12 1 97 SER -2.49 -3.74 1 98 VAL 3.71 -2.46 1 100 LEU 5.24 1.80 1 101 PHE 7.03 2.75 1 102 ASP 4.95 0.56 1 103 PHE 4.40 0.89 1 104 LEU 4.08 -0.03 1 105 THR 5.73 1.49 1 106 GLU 2.51 -1.23 1 107 LEU 3.12 -1.18 1 108 ASP 3.25 0.87 1 110 VAL 4.52 0.28 1 111 LEU 0.89 -3.71 1 112 TYR 1.25 -1.00 1 113 VAL -0.76 -5.47 1 116 GLU -1.88 -4.68 1 117 GLU 2.18 -1.74 1 118 GLU 0.54 -2.48 1 119 THR -1.85 -3.74 1 120 GLU -2.48 -2.72 1 122 VAL 0.34 -2.66 1 123 GLN -0.10 -1.87 1 125 SER 0.47 -2.61 1 126 ASP -0.37 -4.85 1 127 ILE -0.39 -3.26 1 129 THR -0.10 -2.82 1 130 ASP -2.10 -3.75 1 132 PHE 2.69 -0.53 1 133 GLU -4.54 -4.16 1 135 TRP 0.43 -1.56 1 136 THR -5.64 -4.52 1 137 ALA -2.20 -2.52 1 138 SER 4.00 -1.41 1 139 ASP -4.33 -4.31 1 141 ILE -1.66 -3.89 1 142 THR -2.76 -3.83 1 143 ASP 4.12 -1.44 1 144 ARG -1.95 -2.16 1 146 SER -1.00 -2.84 1 147 THR -5.38 -4.78 1 148 PHE -3.12 -0.74 1 149 MET -7.77 -5.97 1 150 ALA -6.61 -4.36 1 151 PHE -5.57 -4.44 1 152 ALA -4.60 -4.59 1 153 ALA 0.24 -2.57 1 154 HIS -6.99 -6.15 1 155 VAL -1.35 -4.18 1 156 THR -3.04 -3.90 1 157 SER 3.34 0.09 1 158 GLU 4.64 0.70 1 159 GLU 3.19 -0.02 1 160 GLN 5.09 0.21 1 161 ALA 3.62 -2.29 1 162 PHE 3.85 -0.07 1 163 ALA 4.52 1.29 1 164 MET 2.79 0.11 1 165 LEU 3.48 0.56 1 166 ASP 2.85 -0.13 1 167 LEU 4.15 0.43 1 168 LEU 3.17 0.37 1 169 LYS 0.20 -2.16 1 170 THR -1.49 -1.47 1 171 ASP 5.29 1.52 1 172 SER 7.41 0.27 1 173 LYS 2.38 -2.71 1 174 MET 2.59 -0.52 1 175 ARG 0.20 -3.37 1 176 LYS 2.28 -2.51 1 177 ALA 2.41 0.34 1 178 ASN -6.97 -4.68 1 179 HIS 1.66 -2.62 1 180 VAL -3.87 -3.08 1 181 MET -4.50 -3.33 1 182 SER -3.98 -3.01 1 183 ALA -3.75 -4.07 1 184 TRP -3.09 -2.42 1 185 ARG -4.89 -3.19 1 186 ILE -1.56 -2.98 1 187 LYS -1.20 -3.02 1 188 GLN 1.57 -1.27 1 189 ASP -1.38 -3.95 1 191 SER 0.02 -2.95 1 192 ALA -0.40 -2.82 1 193 ALA -3.39 -4.19 1 194 THR -1.89 -3.90 1 196 GLN -4.37 -4.44 1 197 ASP -3.52 -2.61 1 198 SER -3.43 -3.33 1 199 ASP 2.61 -0.50 1 200 ASP 0.83 -1.47 1 201 ASP -0.59 -6.00 1 203 GLU 4.61 1.59 1 204 THR 3.77 -0.89 1 205 ALA 0.73 0.90 1 206 ALA 4.79 0.52 1 208 SER 3.01 0.39 1 209 ARG 2.02 1.34 1 210 MET 3.08 -0.73 1 211 LEU 4.11 2.30 1 212 HIS 4.63 0.58 1 213 LEU 5.52 1.53 1 214 ILE 8.79 3.20 1 215 THR 4.96 0.08 1 216 ILE 0.70 -0.13 1 217 MET 2.07 -2.79 1 218 ASP -2.26 -4.72 1 219 VAL -6.30 -4.06 1 220 TRP 5.50 -0.98 1 221 ASN -7.23 -6.98 1 222 VAL -5.11 -4.88 1 223 ILE -5.72 -6.03 1 224 VAL -6.34 -5.92 1 225 VAL -1.96 -3.01 1 226 VAL -6.85 -5.97 1 227 ALA -6.74 -5.43 1 229 TRP 3.82 0.17 1 238 ASP 5.97 0.00 1 239 ARG 5.78 2.50 1 240 PHE 4.37 0.39 1 241 LYS -0.07 -2.17 1 242 HIS 3.68 2.10 1 243 ILE 3.28 0.55 1 245 SER 6.83 1.09 1 246 THR 4.13 0.53 1 247 ALA 4.35 1.40 1 248 ARG 2.05 0.50 1 249 GLU 4.18 0.62 1 250 ALA 6.04 2.27 1 251 VAL 5.69 1.70 1 252 VAL 3.22 0.69 1 253 ARG 0.87 -2.11 1 254 ALA 1.50 -1.62 1 256 PHE -0.61 -2.88 1 257 ASP 0.94 -1.00 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30375_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.77 _LACS_plot.Line_1_terminator_val_y_1 2.22 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -4.12 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.22 _LACS_plot.Line_2_terminator_val_x_2 8.79 _LACS_plot.Line_2_terminator_val_y_2 -5.20 _LACS_plot.Y_axis_chem_shift_offset 2.80 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 195 TYR -7.48 4.21 0 244 ASN -1.68 2.41 0 228 ARG -5.93 4.22 0 10 GLU 3.22 -3.33 1 11 GLU 3.24 -2.94 1 12 LEU 4.89 -4.62 1 13 GLU 3.42 -3.33 1 14 ALA 3.92 -4.03 1 15 VAL 6.08 -4.17 1 16 GLU 2.67 -3.09 1 17 ALA 2.37 -3.64 1 18 ILE 1.09 -2.86 1 19 TYR -2.72 -1.95 1 21 ASP 1.69 -3.46 1 22 LEU 2.43 -3.70 1 23 LEU -2.98 -0.27 1 24 SER -2.35 -1.49 1 25 LYS 1.18 -3.17 1 26 LYS -0.23 -2.98 1 27 GLN -3.41 -0.20 1 28 GLU 2.69 -3.09 1 29 ASP 0.88 -4.08 1 31 SER 3.61 -3.19 1 32 ILE -2.96 -0.10 1 33 ILE -5.77 0.87 1 34 VAL -1.86 -1.99 1 35 VAL -6.77 0.25 1 36 LYS -2.25 -1.73 1 37 VAL 0.37 -3.85 1 39 GLN 1.39 -0.70 1 40 HIS -2.15 -1.91 1 41 GLU 5.64 -4.33 1 42 TYR -0.86 -3.92 1 43 MET -2.75 -1.53 1 44 THR -3.01 -1.84 1 45 LEU -4.60 -0.11 1 46 GLN -2.86 -1.12 1 47 ILE -4.95 -0.10 1 48 SER -5.90 -0.97 1 49 PHE -1.53 -1.54 1 51 THR 4.43 -3.57 1 52 HIS 1.27 -5.06 1 53 TYR -1.67 -2.52 1 55 SER 8.00 -5.51 1 56 GLU -4.48 2.55 1 57 GLU -6.57 2.03 1 58 ALA -1.01 -4.65 1 60 ASN -3.95 -0.49 1 61 VAL 2.29 -4.55 1 62 ILE 1.03 -3.41 1 63 GLU -4.07 1.01 1 64 VAL -2.79 -1.11 1 66 VAL -4.49 -0.40 1 68 THR 2.49 -3.41 1 69 SER 0.95 -3.34 1 70 LEU 2.14 -4.09 1 71 ALA 2.20 -3.23 1 72 LYS 1.09 -4.37 1 73 ARG 3.38 -3.47 1 74 ASP 2.36 -3.93 1 75 LEU 0.38 -2.82 1 76 TYR -0.76 -2.70 1 77 ASP -1.26 -3.46 1 78 THR 6.45 -5.02 1 79 LYS 4.44 -4.36 1 80 TYR 2.70 -3.10 1 81 LEU 4.16 -5.13 1 82 GLN 7.18 -5.14 1 83 HIS 3.85 -2.97 1 84 LEU 3.69 -4.38 1 85 PHE 2.44 -5.97 1 86 GLN 4.08 -3.91 1 87 GLU 4.21 -3.71 1 88 VAL 6.12 -4.69 1 89 MET 6.22 -6.25 1 90 ASP 3.77 -3.62 1 91 SER 2.71 -3.49 1 92 VAL -0.17 -3.31 1 93 PHE 0.11 -2.74 1 94 HIS -2.75 -1.96 1 95 ARG 3.66 -3.78 1 97 SER -2.49 -1.25 1 98 VAL 3.71 -6.17 1 100 LEU 5.24 -3.44 1 101 PHE 7.03 -4.28 1 102 ASP 4.95 -4.39 1 103 PHE 4.40 -3.51 1 104 LEU 4.08 -4.11 1 105 THR 5.73 -4.24 1 106 GLU 2.51 -3.74 1 107 LEU 3.12 -4.30 1 108 ASP 3.25 -2.38 1 110 VAL 4.52 -4.24 1 111 LEU 0.89 -4.60 1 112 TYR 1.25 -2.25 1 113 VAL -0.76 -4.71 1 116 GLU -1.88 -2.80 1 117 GLU 2.18 -3.92 1 118 GLU 0.54 -3.02 1 119 THR -1.85 -1.89 1 120 GLU -2.48 -0.24 1 122 VAL 0.34 -3.00 1 123 GLN -0.10 -1.77 1 125 SER 0.47 -3.08 1 126 ASP -0.37 -4.48 1 127 ILE -0.39 -2.87 1 129 THR -0.10 -2.72 1 130 ASP -2.10 -1.65 1 132 PHE 2.69 -3.22 1 133 GLU -4.54 0.38 1 135 TRP 0.43 -1.99 1 136 THR -5.64 1.12 1 137 ALA -2.20 -0.32 1 138 SER 4.00 -5.41 1 139 ASP -4.33 0.02 1 141 ILE -1.66 -2.23 1 142 THR -2.76 -1.07 1 143 ASP 4.12 -5.56 1 144 ARG -1.95 -0.21 1 146 SER -1.00 -1.84 1 147 THR -5.38 0.60 1 148 PHE -3.12 2.38 1 149 MET -7.77 1.80 1 150 ALA -6.61 2.25 1 151 PHE -5.57 1.13 1 152 ALA -4.60 0.01 1 153 ALA 0.24 -2.81 1 154 HIS -6.99 0.84 1 155 VAL -1.35 -2.83 1 156 THR -3.04 -0.86 1 157 SER 3.34 -3.25 1 158 GLU 4.64 -3.94 1 159 GLU 3.19 -3.21 1 160 GLN 5.09 -4.88 1 161 ALA 3.62 -5.91 1 162 PHE 3.85 -3.92 1 163 ALA 4.52 -3.23 1 164 MET 2.79 -2.68 1 165 LEU 3.48 -2.92 1 166 ASP 2.85 -2.98 1 167 LEU 4.15 -3.72 1 168 LEU 3.17 -2.80 1 169 LYS 0.20 -2.36 1 170 THR -1.49 0.02 1 171 ASP 5.29 -3.77 1 172 SER 7.41 -7.14 1 173 LYS 2.38 -5.09 1 174 MET 2.59 -3.11 1 175 ARG 0.20 -3.57 1 176 LYS 2.28 -4.79 1 177 ALA 2.41 -2.07 1 178 ASN -6.97 2.29 1 179 HIS 1.66 -4.28 1 180 VAL -3.87 0.79 1 181 MET -4.50 1.17 1 182 SER -3.98 0.97 1 183 ALA -3.75 -0.32 1 184 TRP -3.09 0.67 1 185 ARG -4.89 1.70 1 186 ILE -1.56 -1.42 1 187 LYS -1.20 -1.82 1 188 GLN 1.57 -2.84 1 189 ASP -1.38 -2.57 1 191 SER 0.02 -2.97 1 192 ALA -0.40 -2.42 1 193 ALA -3.39 -0.80 1 194 THR -1.89 -2.01 1 196 GLN -4.37 -0.07 1 197 ASP -3.52 0.91 1 198 SER -3.43 0.10 1 199 ASP 2.61 -3.11 1 200 ASP 0.83 -2.30 1 201 ASP -0.59 -5.41 1 203 GLU 4.61 -3.02 1 204 THR 3.77 -4.66 1 205 ALA 0.73 0.17 1 206 ALA 4.79 -4.27 1 208 SER 3.01 -2.62 1 209 ARG 2.02 -0.68 1 210 MET 3.08 -3.81 1 211 LEU 4.11 -1.81 1 212 HIS 4.63 -4.05 1 213 LEU 5.52 -3.99 1 214 ILE 8.79 -5.59 1 215 THR 4.96 -4.88 1 216 ILE 0.70 -0.83 1 217 MET 2.07 -4.86 1 218 ASP -2.26 -2.46 1 219 VAL -6.30 2.24 1 220 TRP 5.50 -6.48 1 221 ASN -7.23 0.25 1 222 VAL -5.11 0.23 1 223 ILE -5.72 -0.31 1 224 VAL -6.34 0.42 1 225 VAL -1.96 -1.05 1 226 VAL -6.85 0.88 1 227 ALA -6.74 1.31 1 229 TRP 3.82 -3.65 1 238 ASP 5.97 -5.97 1 239 ARG 5.78 -3.28 1 240 PHE 4.37 -3.98 1 241 LYS -0.07 -2.10 1 242 HIS 3.68 -1.58 1 243 ILE 3.28 -2.73 1 245 SER 6.83 -5.74 1 246 THR 4.13 -3.60 1 247 ALA 4.35 -2.95 1 248 ARG 2.05 -1.55 1 249 GLU 4.18 -3.56 1 250 ALA 6.04 -3.77 1 251 VAL 5.69 -3.99 1 252 VAL 3.22 -2.53 1 253 ARG 0.87 -2.98 1 254 ALA 1.50 -3.12 1 256 PHE -0.61 -2.27 1 257 ASP 0.94 -1.94 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30375_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.77 _LACS_plot.Line_1_terminator_val_y_1 0.91 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.28 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.18 _LACS_plot.Line_2_terminator_val_x_2 8.79 _LACS_plot.Line_2_terminator_val_y_2 -1.03 _LACS_plot.Y_axis_chem_shift_offset 0.04 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 151 PHE -5.57 1.79 0 58 ALA -1.01 -1.36 0 10 GLU 3.22 -0.45 1 11 GLU 3.24 -0.26 1 12 LEU 4.89 -0.56 1 13 GLU 3.42 -0.42 1 14 ALA 3.92 -0.19 1 15 VAL 6.08 -0.48 1 16 GLU 2.67 -0.45 1 17 ALA 2.37 -0.29 1 18 ILE 1.09 -0.43 1 21 ASP 1.69 -0.14 1 22 LEU 2.43 -0.16 1 23 LEU -2.98 0.67 1 24 SER -2.35 0.15 1 25 LYS 1.18 0.16 1 26 LYS -0.23 -0.06 1 27 GLN -3.41 0.13 1 28 GLU 2.69 -0.41 1 29 ASP 0.88 0.03 1 31 SER 3.61 -0.35 1 32 ILE -2.96 0.86 1 33 ILE -5.77 0.96 1 34 VAL -1.86 0.83 1 35 VAL -6.77 1.07 1 36 LYS -2.25 0.47 1 37 VAL 0.37 -0.75 1 39 GLN 1.39 -0.67 1 40 HIS -2.15 -0.41 1 41 GLU 5.64 -0.74 1 42 TYR -0.86 -0.21 1 43 MET -2.75 0.67 1 44 THR -3.01 0.62 1 45 LEU -4.60 0.77 1 46 GLN -2.86 1.00 1 47 ILE -4.95 0.43 1 48 SER -5.90 0.76 1 49 PHE -1.53 -0.34 1 51 THR 4.43 -0.51 1 52 HIS 1.27 0.70 1 53 TYR -1.67 0.71 1 55 SER 8.00 -0.18 1 56 GLU -4.48 0.41 1 57 GLU -6.57 0.14 1 60 ASN -3.95 0.45 1 61 VAL 2.29 -0.41 1 62 ILE 1.03 -0.13 1 63 GLU -4.07 -0.10 1 64 VAL -2.79 0.48 1 66 VAL -4.49 0.87 1 68 THR 2.49 -0.25 1 69 SER 0.95 -0.16 1 70 LEU 2.14 -0.02 1 71 ALA 2.20 -0.31 1 72 LYS 1.09 0.00 1 73 ARG 3.38 -0.37 1 74 ASP 2.36 -0.25 1 75 LEU 0.38 -0.27 1 76 TYR -0.76 -0.27 1 77 ASP -1.26 0.17 1 78 THR 6.45 -0.85 1 79 LYS 4.44 -0.22 1 80 TYR 2.70 -0.30 1 81 LEU 4.16 -1.33 1 82 GLN 7.18 -1.07 1 83 HIS 3.85 -0.64 1 84 LEU 3.69 -0.55 1 85 PHE 2.44 -0.31 1 86 GLN 4.08 -0.66 1 87 GLU 4.21 -0.38 1 88 VAL 6.12 -0.89 1 89 MET 6.22 -0.53 1 90 ASP 3.77 -0.54 1 91 SER 2.71 -0.32 1 92 VAL -0.17 0.28 1 93 PHE 0.11 0.10 1 94 HIS -2.75 -0.55 1 95 ARG 3.66 -0.92 1 97 SER -2.49 0.44 1 98 VAL 3.71 0.13 1 100 LEU 5.24 -0.36 1 101 PHE 7.03 -0.49 1 102 ASP 4.95 -0.39 1 103 PHE 4.40 -0.79 1 104 LEU 4.08 -1.11 1 105 THR 5.73 -0.57 1 106 GLU 2.51 -0.46 1 107 LEU 3.12 -1.07 1 108 ASP 3.25 -0.63 1 110 VAL 4.52 -0.45 1 111 LEU 0.89 -0.19 1 112 TYR 1.25 -0.22 1 113 VAL -0.76 -0.11 1 116 GLU -1.88 -0.06 1 117 GLU 2.18 -0.48 1 118 GLU 0.54 -0.13 1 119 THR -1.85 0.00 1 120 GLU -2.48 -0.15 1 122 VAL 0.34 -0.26 1 123 GLN -0.10 -0.13 1 125 SER 0.47 -0.17 1 126 ASP -0.37 -0.84 1 127 ILE -0.39 -0.12 1 129 THR -0.10 -0.01 1 130 ASP -2.10 -0.29 1 132 PHE 2.69 -0.30 1 133 GLU -4.54 0.55 1 135 TRP 0.43 0.32 1 136 THR -5.64 1.12 1 137 ALA -2.20 -0.21 1 138 SER 4.00 -0.04 1 139 ASP -4.33 0.19 1 141 ILE -1.66 1.08 1 142 THR -2.76 -0.05 1 143 ASP 4.12 -0.70 1 144 ARG -1.95 0.85 1 146 SER -1.00 1.15 1 147 THR -5.38 1.21 1 148 PHE -3.12 -0.39 1 149 MET -7.77 1.54 1 150 ALA -6.61 0.87 1 152 ALA -4.60 0.40 1 153 ALA 0.24 0.35 1 154 HIS -6.99 0.50 1 155 VAL -1.35 0.12 1 156 THR -3.04 -0.10 1 157 SER 3.34 -1.53 1 158 GLU 4.64 -0.70 1 159 GLU 3.19 -0.44 1 160 GLN 5.09 -0.75 1 161 ALA 3.62 -0.47 1 162 PHE 3.85 -0.20 1 163 ALA 4.52 -0.43 1 164 MET 2.79 -0.31 1 165 LEU 3.48 -0.51 1 166 ASP 2.85 -0.35 1 167 LEU 4.15 -0.86 1 168 LEU 3.17 -0.94 1 169 LYS 0.20 -0.30 1 170 THR -1.49 -0.27 1 171 ASP 5.29 -0.18 1 172 SER 7.41 -0.05 1 173 LYS 2.38 0.06 1 174 MET 2.59 -0.32 1 175 ARG 0.20 -0.11 1 176 LYS 2.28 -1.38 1 177 ALA 2.41 -0.59 1 178 ASN -6.97 0.33 1 179 HIS 1.66 0.19 1 180 VAL -3.87 -0.10 1 181 MET -4.50 1.31 1 182 SER -3.98 0.30 1 183 ALA -3.75 0.73 1 184 TRP -3.09 0.86 1 185 ARG -4.89 0.70 1 186 ILE -1.56 0.24 1 187 LYS -1.20 0.08 1 188 GLN 1.57 -0.31 1 189 ASP -1.38 0.03 1 191 SER 0.02 -0.09 1 192 ALA -0.40 -0.11 1 193 ALA -3.39 0.43 1 194 THR -1.89 0.32 1 195 TYR -4.37 -0.38 1 197 ASP -3.52 -0.19 1 198 SER -3.43 0.19 1 199 ASP 2.61 -0.50 1 200 ASP 0.83 -0.40 1 201 ASP -0.59 -0.44 1 203 GLU 4.61 -0.95 1 204 THR 3.77 -0.09 1 205 ALA 0.73 -0.12 1 206 ALA 4.79 -0.49 1 208 SER 3.01 -0.32 1 209 ARG 2.02 -0.73 1 210 MET 3.08 -0.55 1 211 LEU 4.11 -0.53 1 212 HIS 4.63 -0.49 1 213 LEU 5.52 -0.58 1 214 ILE 8.79 -0.16 1 215 THR 4.96 -0.33 1 216 ILE 0.70 -0.64 1 217 MET 2.07 -0.61 1 218 ASP -2.26 0.19 1 219 VAL -6.30 -0.14 1 220 TRP 5.50 0.07 1 221 ASN -7.23 1.23 1 222 VAL -5.11 1.08 1 223 ILE -5.72 1.35 1 224 VAL -6.34 1.11 1 225 VAL -1.96 0.64 1 226 VAL -6.85 0.87 1 227 ALA -6.74 0.87 1 228 ARG 3.82 -0.40 1 238 ASP 5.97 -0.66 1 239 ARG 5.78 -0.69 1 240 PHE 4.37 -0.68 1 241 LYS -0.07 -0.21 1 242 HIS 3.68 -0.73 1 243 ILE 3.28 -0.34 1 244 ASN -1.68 -0.60 1 245 SER 6.83 -0.39 1 246 THR 4.13 -0.69 1 247 ALA 4.35 -0.80 1 248 ARG 2.05 -0.40 1 249 GLU 4.18 -0.73 1 250 ALA 6.04 -0.83 1 251 VAL 5.69 -0.43 1 252 VAL 3.22 -0.37 1 253 ARG 0.87 -0.02 1 254 ALA 1.50 -0.09 1 256 PHE -0.61 0.03 1 257 ASP 0.94 -0.20 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30375_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.77 _LACS_plot.Line_1_terminator_val_y_1 -6.13 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -2.16 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -3.81 _LACS_plot.Line_2_terminator_val_x_2 7.18 _LACS_plot.Line_2_terminator_val_y_2 -0.16 _LACS_plot.Y_axis_chem_shift_offset 2.99 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 41 GLU 5.64 -4.86 0 137 ALA -5.64 -0.99 0 11 GLU 3.24 -1.13 1 12 LEU 4.89 -0.14 1 13 GLU 3.42 -0.27 1 14 ALA 3.92 0.26 1 15 VAL 6.08 -1.41 1 16 GLU 2.67 -2.33 1 17 ALA 2.37 -1.20 1 18 ILE 1.09 -3.56 1 19 TYR -2.72 -4.93 1 21 ASP 1.69 -2.62 1 23 LEU -2.98 -4.68 1 24 SER -2.35 -4.14 1 28 GLU 2.69 -3.03 1 29 ASP 0.88 -2.57 1 32 ILE -2.96 -3.06 1 34 VAL -1.86 -3.86 1 35 VAL -6.77 -5.03 1 36 LYS -2.25 -4.77 1 37 VAL 0.37 -4.73 1 42 TYR -0.86 -4.90 1 43 MET -2.75 -5.66 1 44 THR -3.01 -3.66 1 45 LEU -4.60 -5.15 1 46 GLN -2.86 -3.91 1 47 ILE -4.95 -6.37 1 48 SER -5.90 -4.26 1 49 PHE -1.53 -3.18 1 52 HIS 1.27 -2.25 1 53 TYR -1.67 -3.15 1 56 GLU -4.48 -3.74 1 57 GLU -6.57 -7.31 1 58 ALA -1.01 -6.15 1 61 VAL 2.29 -4.03 1 62 ILE 1.03 -3.26 1 63 GLU -4.07 -6.23 1 64 VAL -2.79 -5.24 1 66 VAL -4.49 -3.85 1 68 THR 2.49 -2.64 1 72 LYS 1.09 -3.03 1 74 ASP 2.36 -2.77 1 77 ASP -1.26 -1.96 1 79 LYS 4.44 -0.43 1 80 TYR 2.70 -0.85 1 81 LEU 4.16 -3.41 1 82 GLN 7.18 -2.71 1 83 HIS 3.85 0.56 1 84 LEU 3.69 -1.51 1 85 PHE 2.44 -0.07 1 86 GLN 4.08 -1.86 1 87 GLU 4.21 1.31 1 88 VAL 6.12 -0.11 1 89 MET 6.22 -2.13 1 90 ASP 3.77 -0.24 1 93 PHE 0.11 -4.12 1 94 HIS -2.75 -5.04 1 95 ARG 3.66 -1.80 1 97 SER -2.49 -4.00 1 98 VAL 3.71 -1.49 1 100 LEU 5.24 -1.05 1 101 PHE 7.03 0.24 1 104 LEU 4.08 -0.88 1 106 GLU 2.51 -0.89 1 108 ASP 3.25 -1.00 1 110 VAL 4.52 -1.64 1 112 TYR 1.25 -3.46 1 113 VAL -0.76 -5.14 1 119 THR -1.85 -3.69 1 120 GLU -2.48 -3.35 1 122 VAL 0.34 -2.81 1 129 THR -0.39 -2.89 1 130 ASP -0.10 -3.99 1 133 GLU 2.69 -2.13 1 135 TRP -4.54 -1.96 1 136 THR 0.43 -3.74 1 138 SER -2.20 -3.59 1 139 ASP 4.00 -1.16 1 141 ILE -4.33 -4.78 1 142 THR -1.66 -3.92 1 143 ASP -2.76 -3.74 1 144 ARG 4.12 -2.35 1 148 PHE -5.38 -3.94 1 149 MET -3.12 -8.01 1 150 ALA -7.77 -5.63 1 152 ALA -5.57 -4.44 1 153 ALA -4.60 -4.86 1 154 HIS 0.24 -2.52 1 157 SER -3.04 -3.72 1 158 GLU 3.34 -3.02 1 159 GLU 4.64 -0.11 1 160 GLN 3.19 -1.23 1 161 ALA 5.09 -2.17 1 163 ALA 3.85 0.83 1 164 MET 4.52 0.58 1 165 LEU 2.79 -3.02 1 166 ASP 3.48 -0.21 1 167 LEU 2.85 -0.37 1 168 LEU 4.15 -1.79 1 170 THR 0.20 -2.46 1 171 ASP -1.49 -1.57 1 176 LYS 0.20 -2.81 1 179 HIS -6.97 -4.17 1 180 VAL 1.66 -5.68 1 181 MET -3.87 -3.49 1 182 SER -4.50 -3.90 1 183 ALA -3.98 -5.76 1 184 TRP -3.75 -5.45 1 185 ARG -3.09 -2.80 1 187 LYS -1.56 -4.38 1 188 GLN -1.20 -2.96 1 189 ASP 1.57 -1.65 1 192 ALA 0.02 -3.46 1 193 ALA -0.40 -3.97 1 194 THR -3.39 -4.13 1 195 TYR -1.89 -3.91 1 198 SER -3.52 -4.95 1 199 ASP -3.43 -3.96 1 200 ASP 2.61 -2.26 1 201 ASP 0.83 -3.04 1 205 ALA 3.77 -3.48 1 208 SER 4.79 1.11 1 209 ARG 3.01 1.28 1 210 MET 2.02 -1.69 1 211 LEU 3.08 -0.84 1 212 HIS 4.11 -0.88 1 218 ASP 2.07 -5.34 1 219 VAL -2.26 -4.49 1 222 VAL -7.23 -7.29 1 223 ILE -5.11 -6.92 1 225 VAL -6.34 -2.92 1 226 VAL -1.96 -5.47 1 227 ALA -6.85 -5.99 1 229 TRP -5.93 -3.29 1 239 ARG 5.97 -2.72 1 241 LYS 4.37 -0.35 1 244 ASN 3.28 -0.08 1 247 ALA 4.13 -2.33 1 248 ARG 4.35 -2.23 1 249 GLU 2.05 -1.36 1 250 ALA 4.18 -2.17 1 252 VAL 5.69 2.33 1 253 ARG 3.22 -1.07 1 254 ALA 0.87 -2.16 1 256 PHE 1.50 -3.24 1 stop_ save_