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 bmr18236_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.73 _LACS_plot.Line_1_terminator_val_y_1 -3.99 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.08 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.28 _LACS_plot.Line_2_terminator_val_x_2 9.52 _LACS_plot.Line_2_terminator_val_y_2 6.22 _LACS_plot.Y_axis_chem_shift_offset 0.78 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 161 ASP -5.50 -0.40 0 179 ILE -1.24 2.87 0 10 ARG -1.07 -1.99 1 12 ALA -3.30 -1.24 1 13 VAL -2.00 -1.33 1 14 THR -0.97 -0.29 1 15 ALA 0.52 -0.28 1 16 VAL 3.01 1.26 1 17 LYS -2.69 -1.06 1 18 ASP -4.72 -2.90 1 19 GLN 0.04 0.08 1 21 GLN 1.22 -1.05 1 24 SER -0.75 -2.43 1 26 TRP 1.44 -1.04 1 27 ALA 3.25 0.55 1 40 LEU 3.76 1.18 1 41 ALA 0.35 -0.99 1 43 HIS 0.24 -1.12 1 45 LEU 4.28 1.86 1 46 THR -2.17 -0.30 1 47 ASN 1.11 -0.14 1 48 LEU -0.92 -1.15 1 49 SER -0.29 -1.27 1 50 GLU 6.68 4.43 1 51 GLN 2.34 1.21 1 52 MET 3.97 2.82 1 53 LEU 1.82 0.63 1 54 VAL 6.97 4.70 1 55 SER 3.82 4.07 1 57 ASP 0.70 -3.09 1 58 LYS 3.02 -0.53 1 59 THR 2.62 0.89 1 60 ASP -2.04 -0.95 1 61 SER -1.07 -2.13 1 64 SER 1.41 -0.25 1 67 LEU -3.29 -2.07 1 68 MET 5.06 2.74 1 69 ASN 3.02 1.51 1 70 ASN 4.03 2.01 1 71 ALA 2.70 0.75 1 72 PHE 4.10 2.09 1 73 GLU 9.52 5.24 1 74 TRP 5.54 4.47 1 76 VAL 3.23 2.07 1 77 GLN 0.09 -1.33 1 78 GLU -4.66 -1.98 1 79 ASN 3.31 1.43 1 80 ASN -0.40 0.06 1 82 ALA -1.13 -1.80 1 83 VAL -0.03 -0.68 1 84 TYR 0.33 -0.84 1 85 THR 3.10 1.95 1 86 GLU 3.16 2.01 1 87 ASP -0.93 -0.20 1 88 SER 1.28 -1.65 1 89 TYR 3.93 2.35 1 91 TYR -2.47 -1.46 1 92 ALA -0.26 -0.39 1 93 SER 1.21 -0.84 1 95 GLU -1.82 -2.14 1 97 ILE -2.61 -2.53 1 98 SER -3.72 -3.14 1 102 THR 1.10 -0.12 1 103 THR -1.63 -1.40 1 104 SER -1.91 -3.16 1 106 HIS -1.46 -0.37 1 107 THR 5.47 3.53 1 108 VAL -5.25 -2.56 1 110 ALA -3.60 -2.39 1 111 THR -3.81 -2.57 1 112 ILE -0.92 -1.41 1 113 THR -1.51 0.10 1 115 HIS -4.80 -3.65 1 116 VAL -0.11 -1.77 1 117 GLU 1.94 -0.33 1 118 LEU 0.68 -2.84 1 120 GLN -2.90 -0.81 1 121 ASP 3.82 5.04 1 122 GLU 4.19 2.20 1 123 ALA 4.06 2.91 1 124 GLN 5.92 4.70 1 125 ILE 5.18 3.10 1 126 ALA 3.83 2.08 1 127 ALA 4.00 2.69 1 130 ALA -0.05 0.49 1 131 VAL 1.29 0.04 1 132 ASN 5.32 3.85 1 136 ALA -4.78 -3.59 1 137 VAL -7.24 -3.88 1 138 ALA -7.73 -4.70 1 139 VAL -0.85 -0.73 1 140 ASP -4.06 -3.14 1 141 ALA 4.32 3.18 1 142 SER 0.39 0.83 1 143 SER 2.15 1.28 1 144 TRP 6.08 2.75 1 145 MET -0.12 -1.35 1 146 THR 1.42 0.70 1 147 TYR -1.01 -1.90 1 148 THR 1.47 -0.90 1 151 VAL 0.96 1.52 1 152 MET 0.05 -0.59 1 153 THR -1.11 -2.53 1 154 SER 5.24 2.95 1 156 VAL -2.19 -2.71 1 157 SER -1.71 0.21 1 158 GLU -2.47 -1.26 1 159 GLN 0.01 -0.16 1 160 LEU -0.24 -1.06 1 162 HIS -1.24 -1.87 1 167 VAL -4.19 -1.85 1 169 TYR -0.85 -0.80 1 170 ASN 1.01 0.49 1 171 ASP 0.23 -0.77 1 172 SER -3.07 -1.99 1 173 ALA 4.13 2.24 1 174 ALA -0.75 -1.01 1 175 VAL -2.11 -0.96 1 177 TYR 1.40 0.57 1 178 TRP 1.11 -0.09 1 180 ILE -5.22 -4.24 1 182 ASN 0.37 -2.43 1 183 SER -3.83 -5.27 1 184 TRP 1.11 2.81 1 185 THR 2.26 0.99 1 186 THR 1.69 0.16 1 187 GLN -1.15 -0.70 1 188 TRP 1.32 -2.66 1 190 GLU 2.99 0.12 1 191 GLU 0.52 -0.37 1 197 ALA -3.46 -1.32 1 198 LYS -0.23 -2.35 1 200 SER 1.20 -0.83 1 201 ASN 2.77 1.00 1 202 GLN 6.05 0.67 1 204 LEU 3.04 1.21 1 205 VAL -2.00 -1.59 1 206 LYS 2.62 2.06 1 207 GLU -0.17 -1.26 1 208 GLU -4.74 -3.22 1 209 ALA -4.86 -1.85 1 210 SER -1.36 -0.66 1 212 ALA -1.19 -1.07 1 213 VAL 0.60 -0.02 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18236_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.73 _LACS_plot.Line_1_terminator_val_y_1 3.74 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.92 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.28 _LACS_plot.Line_2_terminator_val_x_2 9.52 _LACS_plot.Line_2_terminator_val_y_2 -3.30 _LACS_plot.Y_axis_chem_shift_offset 0.78 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 161 ASP -5.50 5.10 0 179 ILE -1.24 4.11 0 10 ARG -1.07 -0.92 1 12 ALA -3.30 2.06 1 13 VAL -2.00 0.67 1 14 THR -0.97 0.68 1 15 ALA 0.52 -0.80 1 16 VAL 3.01 -1.75 1 17 LYS -2.69 1.63 1 18 ASP -4.72 1.82 1 19 GLN 0.04 0.04 1 21 GLN 1.22 -2.27 1 24 SER -0.75 -1.68 1 26 TRP 1.44 -2.48 1 27 ALA 3.25 -2.70 1 40 LEU 3.76 -2.58 1 41 ALA 0.35 -1.34 1 43 HIS 0.24 -1.36 1 45 LEU 4.28 -2.42 1 46 THR -2.17 1.87 1 47 ASN 1.11 -1.25 1 48 LEU -0.92 -0.23 1 49 SER -0.29 -0.98 1 50 GLU 6.68 -2.25 1 51 GLN 2.34 -1.13 1 52 MET 3.97 -1.15 1 53 LEU 1.82 -1.19 1 54 VAL 6.97 -2.27 1 55 SER 3.82 0.25 1 57 ASP 0.70 -3.79 1 58 LYS 3.02 -3.55 1 59 THR 2.62 -1.73 1 60 ASP -2.04 1.09 1 61 SER -1.07 -1.06 1 64 SER 1.41 -1.66 1 67 LEU -3.29 1.22 1 68 MET 5.06 -2.32 1 69 ASN 3.02 -1.51 1 70 ASN 4.03 -2.02 1 71 ALA 2.70 -1.95 1 72 PHE 4.10 -2.01 1 73 GLU 9.52 -4.28 1 74 TRP 5.54 -1.07 1 76 VAL 3.23 -1.16 1 77 GLN 0.09 -1.42 1 78 GLU -4.66 2.68 1 79 ASN 3.31 -1.88 1 80 ASN -0.40 0.46 1 82 ALA -1.13 -0.67 1 83 VAL -0.03 -0.65 1 84 TYR 0.33 -1.17 1 85 THR 3.10 -1.15 1 86 GLU 3.16 -1.15 1 87 ASP -0.93 0.73 1 88 SER 1.28 -2.93 1 89 TYR 3.93 -1.58 1 91 TYR -2.47 1.01 1 92 ALA -0.26 -0.13 1 93 SER 1.21 -2.05 1 95 GLU -1.82 -0.32 1 97 ILE -2.61 0.08 1 98 SER -3.72 0.58 1 102 THR 1.10 -1.22 1 103 THR -1.63 0.23 1 104 SER -1.91 -1.25 1 106 HIS -1.46 1.09 1 107 THR 5.47 -1.94 1 108 VAL -5.25 2.69 1 110 ALA -3.60 1.21 1 111 THR -3.81 1.24 1 112 ILE -0.92 -0.49 1 113 THR -1.51 1.61 1 115 HIS -4.80 1.15 1 116 VAL -0.11 -1.66 1 117 GLU 1.94 -2.27 1 118 LEU 0.68 -3.52 1 120 GLN -2.90 2.09 1 121 ASP 3.82 1.22 1 122 GLU 4.19 -1.99 1 123 ALA 4.06 -1.15 1 124 GLN 5.92 -1.22 1 125 ILE 5.18 -2.08 1 126 ALA 3.83 -1.75 1 127 ALA 4.00 -1.31 1 130 ALA -0.05 0.54 1 131 VAL 1.29 -1.25 1 132 ASN 5.32 -1.47 1 136 ALA -4.78 1.19 1 137 VAL -7.24 3.36 1 138 ALA -7.73 3.03 1 139 VAL -0.85 0.12 1 140 ASP -4.06 0.92 1 141 ALA 4.32 -1.14 1 142 SER 0.39 0.44 1 143 SER 2.15 -0.87 1 144 TRP 6.08 -3.33 1 145 MET -0.12 -1.23 1 146 THR 1.42 -0.72 1 147 TYR -1.01 -0.89 1 148 THR 1.47 -2.37 1 151 VAL 0.96 0.56 1 152 MET 0.05 -0.64 1 153 THR -1.11 -1.42 1 154 SER 5.24 -2.29 1 156 VAL -2.19 -0.52 1 157 SER -1.71 1.92 1 158 GLU -2.47 1.21 1 159 GLN 0.01 -0.17 1 160 LEU -0.24 -0.82 1 162 HIS -1.24 -0.63 1 167 VAL -4.19 2.34 1 169 TYR -0.85 0.05 1 170 ASN 1.01 -0.52 1 171 ASP 0.23 -1.00 1 172 SER -3.07 1.08 1 173 ALA 4.13 -1.89 1 174 ALA -0.75 -0.26 1 175 VAL -2.11 1.15 1 177 TYR 1.40 -0.83 1 178 TRP 1.11 -1.20 1 180 ILE -5.22 0.98 1 182 ASN 0.37 -2.80 1 183 SER -3.83 -1.44 1 184 TRP 1.11 1.70 1 185 THR 2.26 -1.27 1 186 THR 1.69 -1.53 1 187 GLN -1.15 0.45 1 188 TRP 1.32 -3.98 1 190 GLU 2.99 -2.87 1 191 GLU 0.52 -0.89 1 197 ALA -3.46 2.14 1 198 LYS -0.23 -2.12 1 200 SER 1.20 -2.03 1 201 ASN 2.77 -1.77 1 202 GLN 6.05 -5.38 1 204 LEU 3.04 -1.83 1 205 VAL -2.00 0.41 1 206 LYS 2.62 -0.56 1 207 GLU -0.17 -1.09 1 208 GLU -4.74 1.52 1 209 ALA -4.86 3.01 1 210 SER -1.36 0.70 1 212 ALA -1.19 0.12 1 213 VAL 0.60 -0.62 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18236_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.73 _LACS_plot.Line_1_terminator_val_y_1 -2.24 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.30 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.71 _LACS_plot.Line_2_terminator_val_x_2 6.97 _LACS_plot.Line_2_terminator_val_y_2 1.56 _LACS_plot.Y_axis_chem_shift_offset 0.21 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 202 GLN 6.05 -1.35 0 137 VAL -7.73 -3.11 0 131 VAL 5.32 -2.25 0 78 GLU -4.66 2.01 0 10 ARG -1.07 -0.13 1 12 ALA -3.30 -3.86 1 13 VAL -2.00 0.05 1 14 THR -0.97 0.76 1 15 ALA 0.52 -0.04 1 16 VAL 3.01 -0.28 1 17 LYS -2.69 -3.10 1 18 ASP -4.72 -0.27 1 19 GLN 0.04 2.74 1 21 GLN 1.22 -1.51 1 24 SER -0.75 1.41 1 26 TRP 1.44 -1.51 1 40 LEU 3.76 -0.28 1 41 ALA 0.35 -1.91 1 45 LEU 4.28 -0.80 1 46 THR -2.17 -2.16 1 47 ASN 1.11 1.03 1 49 SER -0.29 -0.22 1 50 GLU 6.68 3.69 1 51 GLN 2.34 -0.21 1 52 MET 3.97 1.13 1 53 LEU 1.82 0.72 1 54 VAL 6.97 1.47 1 55 SER 3.82 0.66 1 57 ASP 0.70 0.06 1 58 LYS 3.02 0.81 1 59 THR 2.62 -0.98 1 60 ASP -2.04 -2.98 1 61 SER -1.07 2.17 1 64 SER 1.41 -1.90 1 67 LEU -3.29 -1.57 1 68 MET 5.06 2.59 1 69 ASN 3.02 2.46 1 70 ASN 4.03 2.04 1 71 ALA 2.70 3.41 1 72 PHE 4.10 0.66 1 73 GLU 5.54 0.47 1 76 VAL 3.23 2.09 1 77 GLN 0.09 -0.03 1 79 ASN 3.31 -0.63 1 80 ASN -0.40 -1.46 1 82 ALA -1.13 -0.05 1 83 VAL -0.03 -1.17 1 84 TYR 0.33 -0.07 1 85 THR 3.10 1.94 1 86 GLU 3.16 1.06 1 87 ASP -0.93 0.56 1 88 SER 3.93 1.20 1 91 TYR -0.26 0.98 1 93 SER 1.21 0.18 1 95 GLU -1.82 -0.96 1 97 ILE -3.72 0.77 1 102 THR 1.10 0.01 1 103 THR -1.63 -0.89 1 104 SER -1.91 -1.47 1 106 HIS -1.46 -0.64 1 107 THR 5.47 -1.10 1 108 VAL -5.25 -3.96 1 110 ALA -3.81 -0.81 1 112 ILE -0.92 0.35 1 113 THR -4.80 -2.45 1 116 VAL -0.11 -0.86 1 117 GLU 0.68 0.46 1 120 GLN -2.90 -0.09 1 121 ASP 3.82 0.64 1 122 GLU 4.19 3.70 1 123 ALA 4.06 4.01 1 124 GLN 5.92 1.02 1 125 ILE 5.18 0.61 1 126 ALA 3.83 2.61 1 127 ALA 4.00 -0.80 1 130 ALA -0.05 0.18 1 136 ALA -4.78 -2.80 1 139 VAL -0.85 -0.17 1 140 ASP -4.06 0.94 1 141 ALA 4.32 2.82 1 142 SER 0.39 1.31 1 143 SER 2.15 2.54 1 144 TRP 6.08 1.67 1 145 MET -0.12 -0.45 1 146 THR 1.42 -0.23 1 147 TYR 1.47 -0.48 1 151 VAL 0.96 -0.52 1 152 MET 0.05 -0.20 1 153 THR -1.11 -0.96 1 154 SER 5.24 -0.99 1 156 VAL -2.19 -2.09 1 157 SER -1.71 -0.25 1 158 GLU -2.47 -2.41 1 159 GLN 0.01 0.26 1 160 LEU -0.24 -1.30 1 161 ASP -5.50 -1.27 1 162 HIS -1.24 1.77 1 167 VAL -0.85 -1.17 1 170 ASN 1.01 0.90 1 171 ASP 0.23 -1.06 1 172 SER -3.07 -2.01 1 173 ALA 4.13 1.40 1 174 ALA -2.11 -2.61 1 177 TYR 1.40 0.16 1 178 TRP 1.11 3.56 1 179 ILE -5.22 -2.12 1 182 ASN -3.83 1.73 1 184 TRP 1.11 1.01 1 185 THR 2.26 0.07 1 186 THR 1.69 -0.74 1 187 GLN -1.15 -0.09 1 188 TRP 1.32 0.30 1 190 GLU 2.99 -0.13 1 191 GLU 0.52 -2.55 1 197 ALA -3.46 -0.47 1 198 LYS -0.23 -0.85 1 200 SER 1.20 1.49 1 201 ASN 2.77 1.98 1 204 LEU 3.04 -1.36 1 205 VAL -2.00 0.62 1 206 LYS 2.62 0.97 1 207 GLU -0.17 -3.95 1 208 GLU -4.74 0.06 1 209 ALA -1.36 -1.35 1 212 ALA -1.19 -1.39 1 213 VAL 0.60 -0.80 1 stop_ save_