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 bmr25356_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.25 _LACS_plot.Line_1_terminator_val_y_1 -2.55 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.11 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.05 _LACS_plot.Line_2_terminator_val_x_2 7.01 _LACS_plot.Line_2_terminator_val_y_2 5.24 _LACS_plot.Y_axis_chem_shift_offset -0.28 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 107 GLN 0.31 -2.14 0 80 MET 2.81 5.41 0 56 HIS -2.37 2.48 0 21 GLU -0.21 0.09 1 22 VAL 0.81 0.43 1 23 GLN 0.30 0.20 1 24 LYS 0.33 0.45 1 25 ASN -0.23 -0.42 1 26 GLN -0.07 0.57 1 28 LEU -1.38 0.16 1 29 THR -3.16 -1.36 1 30 LEU 4.85 3.21 1 31 GLU 4.89 3.86 1 32 GLU 3.30 3.10 1 53 LEU 5.62 3.06 1 54 LYS 4.24 3.85 1 55 LYS 2.83 2.63 1 57 LEU 5.44 4.71 1 58 ASP 4.48 3.34 1 59 THR 6.05 4.24 1 60 PHE 2.52 1.79 1 61 LEU -0.20 -0.39 1 62 LYS 3.74 2.58 1 64 LYS -3.12 -1.73 1 65 SER -2.45 -1.15 1 67 LEU -0.70 0.08 1 68 ARG -0.33 0.28 1 69 VAL -2.69 -1.35 1 70 PHE -4.39 -3.33 1 77 ALA 1.98 1.85 1 81 LYS 0.96 1.72 1 82 TRP 0.91 0.13 1 83 PHE 4.44 5.34 1 84 ALA 3.07 2.50 1 85 ASP 3.74 2.51 1 86 ARG -0.42 -0.43 1 88 HIS -2.50 0.55 1 89 SER -0.81 -0.02 1 90 VAL -2.69 -0.54 1 93 VAL -5.81 -3.12 1 96 SER -1.16 -1.07 1 97 GLU 2.75 2.71 1 98 LEU 2.66 2.27 1 101 GLN 4.31 4.17 1 102 GLU 3.68 3.77 1 103 PHE 6.20 3.85 1 104 PHE 7.01 5.97 1 105 THR 5.77 4.78 1 106 GLU 3.80 2.97 1 108 ASN 2.64 0.91 1 109 LEU -5.87 -1.76 1 110 SER -0.61 -0.38 1 111 TYR -3.65 -2.02 1 112 SER -4.33 -1.90 1 113 GLU -5.79 -2.37 1 114 GLU -4.39 -1.03 1 116 ILE 2.40 -0.38 1 117 THR 6.04 4.50 1 118 GLU 2.21 2.38 1 119 ILE 0.63 -0.36 1 122 THR -1.27 -0.09 1 123 LYS -5.25 -0.84 1 124 VAL -5.89 -3.67 1 125 PHE -4.06 -1.78 1 126 LYS -4.70 -1.76 1 129 SER 0.12 0.42 1 131 ASN 1.34 0.71 1 132 ILE -3.36 0.58 1 133 SER -2.73 -0.84 1 134 LEU -1.92 -1.98 1 135 TYR 0.84 1.55 1 138 SER -3.22 -3.10 1 139 ILE 3.86 2.68 1 140 PHE 3.72 2.06 1 141 ASP -0.95 0.77 1 142 LEU 6.09 5.39 1 144 ARG 1.40 1.60 1 145 THR -2.98 -1.82 1 146 ASN 0.93 -0.41 1 147 ILE -1.50 -0.79 1 149 LYS -5.79 -3.09 1 150 PHE -0.80 1.48 1 151 ASP -2.63 1.78 1 152 MET -6.25 -1.62 1 153 ILE -5.23 -2.92 1 154 TRP -2.91 -2.27 1 155 ASP -6.21 -2.10 1 161 ALA 1.43 2.34 1 166 ASP -0.50 0.92 1 167 ARG 2.04 3.78 1 168 LYS 5.59 3.71 1 170 TYR 4.77 4.87 1 171 ALA 4.53 3.40 1 172 ASP 4.35 3.35 1 174 MET 4.68 1.26 1 175 PHE 3.90 1.98 1 176 SER 2.94 2.63 1 177 LEU -0.40 -0.52 1 178 LEU 0.18 0.13 1 180 LYS 2.41 2.05 1 181 LYS -0.72 -0.88 1 182 PHE -2.42 -1.17 1 183 GLN -3.08 -0.05 1 184 TYR -3.87 -3.06 1 185 LEU -1.44 -0.98 1 186 LEU -5.59 -1.92 1 188 VAL 0.71 0.28 1 189 LEU -0.11 0.03 1 190 SER -0.18 0.16 1 191 TYR -2.76 -2.13 1 195 LYS -1.67 -0.20 1 206 ALA 3.05 2.39 1 207 GLU 1.41 0.92 1 208 ILE 6.33 4.62 1 209 GLU 3.81 3.37 1 210 ARG 3.75 3.86 1 211 LEU 0.48 1.62 1 212 PHE -0.20 1.07 1 214 LYS 3.04 2.25 1 215 ILE -1.87 -0.76 1 217 ASN -0.47 0.32 1 218 ILE -1.40 0.64 1 219 ARG -4.65 -1.28 1 221 LEU 0.20 1.58 1 222 GLU -5.43 -0.79 1 223 LYS -2.87 -0.77 1 225 ASP 1.51 0.85 1 232 LYS -4.39 -1.82 1 233 SER -0.82 -0.13 1 242 LYS -4.76 -1.58 1 243 LEU -4.16 -1.86 1 244 TYR -4.18 -0.69 1 245 LEU -4.24 -1.35 1 246 LEU -1.30 -1.05 1 247 THR -5.52 -2.46 1 248 GLU 1.82 0.83 1 249 LYS 1.46 2.36 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25356_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.25 _LACS_plot.Line_1_terminator_val_y_1 3.70 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.89 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.95 _LACS_plot.Line_2_terminator_val_x_2 7.01 _LACS_plot.Line_2_terminator_val_y_2 -1.77 _LACS_plot.Y_axis_chem_shift_offset -0.28 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 107 GLN 0.31 -2.45 0 80 MET 2.81 2.60 0 56 HIS -2.37 4.85 0 21 GLU -0.21 0.30 1 22 VAL 0.81 -0.38 1 23 GLN 0.30 -0.10 1 24 LYS 0.33 0.12 1 25 ASN -0.23 -0.19 1 26 GLN -0.07 0.64 1 28 LEU -1.38 1.54 1 29 THR -3.16 1.80 1 30 LEU 4.85 -1.64 1 31 GLU 4.89 -1.03 1 32 GLU 3.30 -0.20 1 53 LEU 5.62 -2.56 1 54 LYS 4.24 -0.39 1 55 LYS 2.83 -0.20 1 57 LEU 5.44 -0.73 1 58 ASP 4.48 -1.14 1 59 THR 6.05 -1.81 1 60 PHE 2.52 -0.73 1 61 LEU -0.20 -0.19 1 62 LYS 3.74 -1.16 1 64 LYS -3.12 1.39 1 65 SER -2.45 1.30 1 67 LEU -0.70 0.78 1 68 ARG -0.33 0.61 1 69 VAL -2.69 1.34 1 70 PHE -4.39 1.06 1 77 ALA 1.98 -0.13 1 81 LYS 0.96 0.76 1 82 TRP 0.91 -0.78 1 83 PHE 4.44 0.90 1 84 ALA 3.07 -0.57 1 85 ASP 3.74 -1.23 1 86 ARG -0.42 -0.01 1 88 HIS -2.50 3.05 1 89 SER -0.81 0.79 1 90 VAL -2.69 2.15 1 93 VAL -5.81 2.69 1 96 SER -1.16 0.09 1 97 GLU 2.75 -0.04 1 98 LEU 2.66 -0.39 1 101 GLN 4.31 -0.14 1 102 GLU 3.68 0.09 1 103 PHE 6.20 -2.35 1 104 PHE 7.01 -1.04 1 105 THR 5.77 -0.99 1 106 GLU 3.80 -0.83 1 108 ASN 2.64 -1.73 1 109 LEU -5.87 4.11 1 110 SER -0.61 0.23 1 111 TYR -3.65 1.63 1 112 SER -4.33 2.43 1 113 GLU -5.79 3.42 1 114 GLU -4.39 3.36 1 116 ILE 2.40 -2.78 1 117 THR 6.04 -1.54 1 118 GLU 2.21 0.17 1 119 ILE 0.63 -0.99 1 122 THR -1.27 1.18 1 123 LYS -5.25 4.41 1 124 VAL -5.89 2.22 1 125 PHE -4.06 2.28 1 126 LYS -4.70 2.94 1 129 SER 0.12 0.30 1 131 ASN 1.34 -0.63 1 132 ILE -3.36 3.94 1 133 SER -2.73 1.89 1 134 LEU -1.92 -0.06 1 135 TYR 0.84 0.71 1 138 SER -3.22 0.12 1 139 ILE 3.86 -1.18 1 140 PHE 3.72 -1.66 1 141 ASP -0.95 1.72 1 142 LEU 6.09 -0.70 1 144 ARG 1.40 0.20 1 145 THR -2.98 1.16 1 146 ASN 0.93 -1.34 1 147 ILE -1.50 0.71 1 149 LYS -5.79 2.70 1 150 PHE -0.80 2.28 1 151 ASP -2.63 4.41 1 152 MET -6.25 4.63 1 153 ILE -5.23 2.31 1 154 TRP -2.91 0.64 1 155 ASP -6.21 4.11 1 161 ALA 1.43 0.91 1 166 ASP -0.50 1.42 1 167 ARG 2.04 1.74 1 168 LYS 5.59 -1.88 1 170 TYR 4.77 0.10 1 171 ALA 4.53 -1.13 1 172 ASP 4.35 -1.00 1 174 MET 4.68 -3.42 1 175 PHE 3.90 -1.92 1 176 SER 2.94 -0.31 1 177 LEU -0.40 -0.12 1 178 LEU 0.18 -0.05 1 180 LYS 2.41 -0.36 1 181 LYS -0.72 -0.16 1 182 PHE -2.42 1.25 1 183 GLN -3.08 3.03 1 184 TYR -3.87 0.81 1 185 LEU -1.44 0.46 1 186 LEU -5.59 3.67 1 188 VAL 0.71 -0.43 1 189 LEU -0.11 0.14 1 190 SER -0.18 0.34 1 191 TYR -2.76 0.63 1 195 LYS -1.67 1.47 1 206 ALA 3.05 -0.66 1 207 GLU 1.41 -0.49 1 208 ILE 6.33 -1.71 1 209 GLU 3.81 -0.44 1 210 ARG 3.75 0.11 1 211 LEU 0.48 1.14 1 212 PHE -0.20 1.27 1 214 LYS 3.04 -0.79 1 215 ILE -1.87 1.11 1 217 ASN -0.47 0.79 1 218 ILE -1.40 2.04 1 219 ARG -4.65 3.37 1 221 LEU 0.20 1.38 1 222 GLU -5.43 4.64 1 223 LYS -2.87 2.10 1 225 ASP 1.51 -0.66 1 232 LYS -4.39 2.57 1 233 SER -0.82 0.69 1 242 LYS -4.76 3.18 1 243 LEU -4.16 2.30 1 244 TYR -4.18 3.49 1 245 LEU -4.24 2.89 1 246 LEU -1.30 0.25 1 247 THR -5.52 3.06 1 248 GLU 1.82 -0.99 1 249 LYS 1.46 0.90 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25356_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.25 _LACS_plot.Line_1_terminator_val_y_1 -2.92 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.76 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.98 _LACS_plot.Line_2_terminator_val_x_2 7.01 _LACS_plot.Line_2_terminator_val_y_2 2.67 _LACS_plot.Y_axis_chem_shift_offset 0.15 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 138 SER -3.22 5.22 0 21 GLU -0.21 -0.07 1 22 VAL 0.81 0.01 1 23 GLN 0.30 0.08 1 25 ASN -0.23 0.09 1 26 GLN -0.07 -0.51 1 28 LEU -1.38 0.58 1 29 THR -3.16 1.10 1 30 LEU 4.85 2.65 1 31 GLU 4.89 2.43 1 32 GLU 3.30 4.05 1 53 LEU 5.62 0.59 1 54 LYS 4.24 1.63 1 55 LYS 2.83 1.03 1 56 HIS -2.37 2.14 1 57 LEU 5.44 0.00 1 58 ASP 4.48 2.66 1 59 THR 6.05 1.96 1 60 PHE 2.52 1.44 1 61 LEU -0.20 -0.25 1 62 LYS 3.74 1.53 1 64 LYS -3.12 -0.35 1 65 SER -2.45 -0.49 1 67 LEU -0.70 -1.14 1 68 ARG -0.33 0.02 1 69 VAL -2.69 -3.11 1 70 PHE -4.39 -2.59 1 77 ALA 1.98 1.24 1 80 MET 2.81 2.57 1 81 LYS 0.96 0.50 1 82 TRP 0.91 4.04 1 83 PHE 4.44 2.45 1 84 ALA 3.07 4.07 1 85 ASP 3.74 1.47 1 86 ARG -0.42 -0.94 1 88 HIS -2.50 0.25 1 89 SER -0.81 -1.41 1 90 VAL -2.69 -0.15 1 93 VAL -5.81 -4.27 1 96 SER -1.16 0.01 1 97 GLU 2.75 0.79 1 98 LEU 2.66 0.98 1 101 GLN 4.31 3.61 1 102 GLU 3.68 1.27 1 103 PHE 6.20 0.85 1 104 PHE 7.01 2.55 1 105 THR 5.77 3.68 1 106 GLU 3.80 2.24 1 107 GLN 0.31 -1.22 1 108 ASN 2.64 -1.38 1 109 LEU -5.87 -1.01 1 110 SER -0.61 -1.01 1 111 TYR -3.65 -1.92 1 112 SER -4.33 -2.09 1 113 GLU -5.79 -1.17 1 114 GLU -4.39 -2.36 1 116 ILE 2.40 1.18 1 117 THR 6.04 1.90 1 118 GLU 2.21 -0.86 1 119 ILE 0.63 -3.07 1 122 THR -1.27 0.64 1 123 LYS -5.25 -3.60 1 124 VAL -5.89 -4.06 1 125 PHE -4.06 -0.59 1 126 LYS -4.70 0.34 1 129 SER 0.12 1.16 1 131 ASN 1.34 -1.71 1 132 ILE -3.36 -0.80 1 133 SER -2.73 -2.69 1 134 LEU -1.92 -2.49 1 135 TYR 0.84 -2.26 1 139 ILE 3.86 -2.10 1 140 PHE 3.72 0.68 1 141 ASP -0.95 -0.54 1 142 LEU 6.09 -1.33 1 144 ARG 1.40 0.83 1 145 THR -2.98 -1.72 1 146 ASN 0.93 0.56 1 147 ILE -1.50 -1.18 1 149 LYS -5.79 1.20 1 150 PHE -0.80 -1.44 1 151 ASP -2.63 0.27 1 152 MET -6.25 -3.64 1 153 ILE -5.23 -2.13 1 154 TRP -2.91 -3.95 1 161 ALA 1.43 0.60 1 166 ASP -0.50 -0.53 1 168 LYS 5.59 0.90 1 170 TYR 4.77 -0.01 1 171 ALA 4.53 -0.28 1 172 ASP 4.35 3.78 1 174 MET 4.68 3.14 1 175 PHE 3.90 3.43 1 176 SER 2.94 -0.70 1 177 LEU -0.40 -1.45 1 178 LEU 0.18 0.42 1 180 LYS 2.41 0.91 1 181 LYS -0.72 -0.69 1 182 PHE -2.42 -1.38 1 183 GLN -3.08 -3.31 1 184 TYR -3.87 -2.26 1 185 LEU -1.44 -4.45 1 188 VAL 0.71 -0.33 1 189 LEU -0.11 -0.22 1 190 SER -0.18 -1.91 1 191 TYR -2.76 -3.90 1 195 LYS -1.67 -1.55 1 206 ALA 3.05 2.66 1 207 GLU 1.41 0.97 1 208 ILE 6.33 1.93 1 209 GLU 3.81 4.06 1 210 ARG 3.75 2.41 1 211 LEU 0.48 1.02 1 212 PHE -0.20 1.92 1 214 LYS 3.04 1.21 1 215 ILE -1.87 -0.99 1 217 ASN -0.47 -0.08 1 218 ILE -1.40 -1.26 1 219 ARG -4.65 -2.36 1 221 LEU 0.20 -0.15 1 222 GLU -5.43 -3.38 1 223 LYS -2.87 -1.32 1 232 LYS -4.39 0.44 1 233 SER -0.82 2.30 1 242 LYS -4.76 -2.27 1 243 LEU -4.16 -3.16 1 244 TYR -4.18 -2.18 1 245 LEU -4.24 -2.89 1 246 LEU -1.30 -1.85 1 247 THR -5.52 -1.13 1 248 GLU 1.82 -0.97 1 249 LYS 1.46 5.47 1 stop_ save_