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 bmr25025_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.00 _LACS_plot.Line_1_terminator_val_y_1 -3.16 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.09 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.23 _LACS_plot.Line_2_terminator_val_x_2 7.80 _LACS_plot.Line_2_terminator_val_y_2 6.36 _LACS_plot.Y_axis_chem_shift_offset -0.23 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 23 TYR 2.90 -3.00 0 10 ALA 2.90 3.30 1 11 LYS 5.20 4.30 1 13 ALA 4.00 3.10 1 14 ALA 3.70 3.00 1 15 LEU 2.80 2.90 1 16 LYS 0.80 1.70 1 17 ARG 5.80 3.50 1 18 ARG -2.00 -0.60 1 19 SER 7.80 6.40 1 20 ILE -3.90 -3.50 1 21 ARG -1.30 -0.70 1 22 ARG -2.10 0.10 1 24 ARG -0.90 0.40 1 26 ASP -1.40 -3.50 1 28 VAL -2.90 -2.50 1 32 LEU 1.90 2.30 1 33 LEU 2.90 3.00 1 34 ARG 5.90 5.40 1 35 GLU 3.10 3.40 1 36 ILE 5.00 4.90 1 37 LEU 3.90 3.10 1 38 GLU 3.80 4.10 1 39 ALA 3.20 2.40 1 40 ALA 4.00 2.80 1 41 LEU 2.60 1.30 1 42 ARG 1.90 -1.00 1 43 ALA 2.60 -0.70 1 45 SER -4.70 -1.90 1 46 ALA 1.10 1.30 1 48 ASN -0.60 1.00 1 49 LEU 1.40 2.90 1 50 GLN -2.30 -1.10 1 52 TRP -4.60 -4.50 1 53 ARG -3.80 -2.30 1 54 ILE -6.20 -1.70 1 55 VAL -2.30 -1.50 1 56 VAL 0.90 -0.30 1 57 VAL 1.40 0.30 1 58 ARG -2.30 0.00 1 59 ASP -3.40 -1.10 1 63 LYS 7.20 5.90 1 64 ARG 5.30 4.40 1 65 ALA 3.70 2.80 1 66 LEU 2.90 2.30 1 67 ARG 5.80 4.10 1 68 GLU 3.30 2.80 1 69 ALA 2.00 1.70 1 70 ALA -0.50 -1.40 1 71 PHE 4.60 0.90 1 73 GLN 1.80 2.30 1 74 ALA 3.70 3.60 1 75 HIS 1.90 2.70 1 76 VAL 4.10 3.60 1 77 GLU -1.40 1.20 1 78 GLU -0.50 1.50 1 79 ALA -0.70 -1.70 1 81 VAL -5.50 -2.10 1 82 VAL -4.20 -1.60 1 83 LEU -3.40 -2.50 1 84 VAL 0.70 0.20 1 85 LEU -2.20 -1.00 1 86 TYR -6.10 -3.00 1 87 ALA -4.90 -1.80 1 88 ASP -3.60 -2.30 1 89 LEU 1.30 1.70 1 90 GLU 4.00 2.50 1 91 ASP 1.20 3.50 1 92 ALA 3.00 2.60 1 93 LEU 2.60 1.90 1 94 ALA 1.00 0.60 1 95 HIS 0.70 0.50 1 96 LEU 2.50 3.00 1 98 GLU -0.10 1.50 1 99 VAL 0.80 -0.20 1 100 ILE 1.10 0.30 1 104 VAL 2.30 0.50 1 105 GLN -5.10 -1.20 1 109 ARG 3.90 3.40 1 110 GLU 3.30 2.70 1 111 ALA 3.40 2.70 1 112 GLN 4.80 3.80 1 113 LYS 5.50 4.90 1 114 GLN 4.00 3.20 1 115 ALA 3.70 2.80 1 116 ILE 5.00 4.10 1 117 GLN 5.20 4.10 1 118 ARG 3.90 3.50 1 119 ALA 3.40 2.20 1 120 PHE 1.60 2.20 1 121 ALA 3.40 3.10 1 123 MET -2.00 1.00 1 128 ARG 4.30 4.90 1 129 LYS 4.40 4.50 1 130 ALA 3.30 3.00 1 131 TRP 4.30 5.40 1 132 ALA 2.40 3.30 1 135 GLN 2.90 1.90 1 137 TYR 4.40 4.00 1 138 ILE 5.80 4.90 1 139 LEU 6.10 3.40 1 140 LEU 4.60 3.50 1 142 TYR 3.50 5.00 1 143 LEU 2.50 3.30 1 144 LEU 4.00 3.10 1 145 LEU 4.50 4.10 1 146 LEU 3.50 3.90 1 147 LEU 4.80 4.10 1 148 GLU 3.80 2.80 1 149 ALA 2.80 2.40 1 150 TYR -0.20 1.30 1 152 LEU -2.80 -1.40 1 154 SER -5.90 0.00 1 155 VAL -6.40 -4.50 1 158 LEU -0.80 -2.10 1 160 PHE -2.40 -1.50 1 161 ASP -4.60 -3.40 1 166 ARG 5.60 4.90 1 167 ALA 2.70 2.40 1 168 ILE 3.10 3.70 1 169 LEU -1.40 -0.80 1 171 LEU -0.30 -2.50 1 175 ALA -0.70 0.00 1 176 ALA -4.40 -1.60 1 179 ALA -1.90 1.20 1 180 LEU -1.50 0.50 1 181 VAL -2.90 -0.70 1 182 ALA -2.20 -1.40 1 183 LEU -3.20 -0.30 1 185 TYR 2.70 0.60 1 187 ALA -2.30 -1.80 1 188 GLU -4.20 -2.20 1 191 TYR -3.10 -2.60 1 193 SER -0.20 0.50 1 194 HIS -4.10 0.70 1 195 ARG -7.00 -3.30 1 196 LEU -1.70 -1.80 1 198 LEU 4.70 4.80 1 199 GLU 3.30 2.50 1 200 ARG 0.90 0.10 1 201 VAL -1.50 0.30 1 202 VAL -1.60 -0.80 1 203 LEU -4.70 -1.70 1 204 TRP 0.30 0.10 1 205 ARG -1.10 0.80 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25025_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.00 _LACS_plot.Line_1_terminator_val_y_1 3.84 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.91 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.77 _LACS_plot.Line_2_terminator_val_x_2 7.80 _LACS_plot.Line_2_terminator_val_y_2 -1.44 _LACS_plot.Y_axis_chem_shift_offset -0.23 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 23 TYR 2.90 -5.90 0 10 ALA 2.90 0.40 1 11 LYS 5.20 -0.90 1 13 ALA 4.00 -0.90 1 14 ALA 3.70 -0.70 1 15 LEU 2.80 0.10 1 16 LYS 0.80 0.90 1 17 ARG 5.80 -2.30 1 18 ARG -2.00 1.40 1 19 SER 7.80 -1.40 1 20 ILE -3.90 0.40 1 21 ARG -1.30 0.60 1 22 ARG -2.10 2.20 1 24 ARG -0.90 1.30 1 26 ASP -1.40 -2.10 1 28 VAL -2.90 0.40 1 32 LEU 1.90 0.40 1 33 LEU 2.90 0.10 1 34 ARG 5.90 -0.50 1 35 GLU 3.10 0.30 1 36 ILE 5.00 -0.10 1 37 LEU 3.90 -0.80 1 38 GLU 3.80 0.30 1 39 ALA 3.20 -0.80 1 40 ALA 4.00 -1.20 1 41 LEU 2.60 -1.30 1 42 ARG 1.90 -2.90 1 43 ALA 2.60 -3.30 1 45 SER -4.70 2.80 1 46 ALA 1.10 0.20 1 48 ASN -0.60 1.60 1 49 LEU 1.40 1.50 1 50 GLN -2.30 1.20 1 52 TRP -4.60 0.10 1 53 ARG -3.80 1.50 1 54 ILE -6.20 4.50 1 55 VAL -2.30 0.80 1 56 VAL 0.90 -1.20 1 57 VAL 1.40 -1.10 1 58 ARG -2.30 2.30 1 59 ASP -3.40 2.30 1 63 LYS 7.20 -1.30 1 64 ARG 5.30 -0.90 1 65 ALA 3.70 -0.90 1 66 LEU 2.90 -0.60 1 67 ARG 5.80 -1.70 1 68 GLU 3.30 -0.50 1 69 ALA 2.00 -0.30 1 70 ALA -0.50 -0.90 1 71 PHE 4.60 -3.70 1 73 GLN 1.80 0.50 1 74 ALA 3.70 -0.10 1 75 HIS 1.90 0.80 1 76 VAL 4.10 -0.50 1 77 GLU -1.40 2.60 1 78 GLU -0.50 2.00 1 79 ALA -0.70 -1.00 1 81 VAL -5.50 3.40 1 82 VAL -4.20 2.60 1 83 LEU -3.40 0.90 1 84 VAL 0.70 -0.50 1 85 LEU -2.20 1.20 1 86 TYR -6.10 3.10 1 87 ALA -4.90 3.10 1 88 ASP -3.60 1.30 1 89 LEU 1.30 0.40 1 90 GLU 4.00 -1.50 1 91 ASP 1.20 2.30 1 92 ALA 3.00 -0.40 1 93 LEU 2.60 -0.70 1 94 ALA 1.00 -0.40 1 95 HIS 0.70 -0.20 1 96 LEU 2.50 0.50 1 98 GLU -0.10 1.60 1 99 VAL 0.80 -1.00 1 100 ILE 1.10 -0.80 1 104 VAL 2.30 -1.80 1 105 GLN -5.10 3.90 1 109 ARG 3.90 -0.50 1 110 GLU 3.30 -0.60 1 111 ALA 3.40 -0.70 1 112 GLN 4.80 -1.00 1 113 LYS 5.50 -0.60 1 114 GLN 4.00 -0.80 1 115 ALA 3.70 -0.90 1 116 ILE 5.00 -0.90 1 117 GLN 5.20 -1.10 1 118 ARG 3.90 -0.40 1 119 ALA 3.40 -1.20 1 120 PHE 1.60 0.60 1 121 ALA 3.40 -0.30 1 123 MET -2.00 3.00 1 128 ARG 4.30 0.60 1 129 LYS 4.40 0.10 1 130 ALA 3.30 -0.30 1 131 TRP 4.30 1.10 1 132 ALA 2.40 0.90 1 135 GLN 2.90 -1.00 1 137 TYR 4.40 -0.40 1 138 ILE 5.80 -0.90 1 139 LEU 6.10 -2.70 1 140 LEU 4.60 -1.10 1 142 TYR 3.50 1.50 1 143 LEU 2.50 0.80 1 144 LEU 4.00 -0.90 1 145 LEU 4.50 -0.40 1 146 LEU 3.50 0.40 1 147 LEU 4.80 -0.70 1 148 GLU 3.80 -1.00 1 149 ALA 2.80 -0.40 1 150 TYR -0.20 1.50 1 152 LEU -2.80 1.40 1 154 SER -5.90 5.90 1 155 VAL -6.40 1.90 1 158 LEU -0.80 -1.30 1 160 PHE -2.40 0.90 1 161 ASP -4.60 1.20 1 166 ARG 5.60 -0.70 1 167 ALA 2.70 -0.30 1 168 ILE 3.10 0.60 1 169 LEU -1.40 0.60 1 171 LEU -0.30 -2.20 1 175 ALA -0.70 0.70 1 176 ALA -4.40 2.80 1 179 ALA -1.90 3.10 1 180 LEU -1.50 2.00 1 181 VAL -2.90 2.20 1 182 ALA -2.20 0.80 1 183 LEU -3.20 2.90 1 185 TYR 2.70 -2.10 1 187 ALA -2.30 0.50 1 188 GLU -4.20 2.00 1 191 TYR -3.10 0.50 1 193 SER -0.20 0.70 1 194 HIS -4.10 4.80 1 195 ARG -7.00 3.70 1 196 LEU -1.70 -0.10 1 198 LEU 4.70 0.10 1 199 GLU 3.30 -0.80 1 200 ARG 0.90 -0.80 1 201 VAL -1.50 1.80 1 202 VAL -1.60 0.80 1 203 LEU -4.70 3.00 1 204 TRP 0.30 -0.20 1 205 ARG -1.10 1.90 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25025_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.00 _LACS_plot.Line_1_terminator_val_y_1 -2.81 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.54 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.92 _LACS_plot.Line_2_terminator_val_x_2 7.80 _LACS_plot.Line_2_terminator_val_y_2 2.54 _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 205 ARG -1.10 4.04 0 19 SER 7.80 -1.68 0 10 ALA 2.90 -0.74 1 11 LYS 5.20 0.61 1 13 ALA 4.00 -0.38 1 14 ALA 3.70 2.51 1 15 LEU 2.80 1.14 1 16 LYS 0.80 1.01 1 17 ARG 5.80 0.17 1 18 ARG -2.00 -0.31 1 20 ILE -3.90 -0.74 1 21 ARG -1.30 -2.89 1 22 ARG -2.10 -1.84 1 23 TYR 2.90 0.83 1 24 ARG -0.90 1.47 1 32 LEU 1.90 0.15 1 33 LEU 2.90 0.81 1 34 ARG 5.90 0.70 1 35 GLU 3.10 2.14 1 36 ILE 5.00 1.37 1 37 LEU 3.90 0.19 1 38 GLU 3.80 1.84 1 39 ALA 3.20 0.78 1 40 ALA 4.00 -0.19 1 41 LEU 2.60 -0.30 1 42 ARG 1.90 0.51 1 43 ALA 2.60 -2.65 1 45 SER -4.70 -0.36 1 48 ASN -0.60 1.65 1 49 LEU 1.40 -1.75 1 50 GLN -2.30 -4.50 1 52 TRP -4.60 -0.80 1 53 ARG -3.80 -2.10 1 54 ILE -6.20 -1.06 1 55 VAL -2.30 -0.87 1 56 VAL 0.90 -2.18 1 57 VAL 1.40 -1.22 1 58 ARG -2.30 0.22 1 63 LYS 7.20 1.45 1 64 ARG 5.30 0.26 1 65 ALA 3.70 3.34 1 66 LEU 2.90 -0.04 1 67 ARG 5.80 2.20 1 68 GLU 3.30 2.85 1 69 ALA 2.00 -1.61 1 70 ALA -0.50 -1.09 1 71 PHE 4.60 0.30 1 73 GLN 1.80 1.27 1 74 ALA 3.70 1.47 1 75 HIS 1.90 1.56 1 76 VAL 4.10 -3.15 1 77 GLU -1.40 0.38 1 78 GLU -0.50 0.70 1 79 ALA -0.70 -1.88 1 81 VAL -5.50 -3.32 1 82 VAL -4.20 -1.59 1 84 VAL 0.70 -2.71 1 86 TYR -6.10 -4.47 1 87 ALA -4.90 -1.48 1 88 ASP -3.60 -1.61 1 89 LEU 1.30 -0.53 1 90 GLU 4.00 3.35 1 91 ASP 1.20 1.80 1 92 ALA 3.00 2.44 1 93 LEU 2.60 1.06 1 94 ALA 1.00 -0.30 1 95 HIS 0.70 2.15 1 98 GLU -0.10 1.51 1 99 VAL 0.80 0.00 1 100 ILE 1.10 -0.52 1 104 VAL 2.30 -1.44 1 105 GLN -5.10 0.43 1 109 ARG 3.90 0.93 1 110 GLU 3.30 2.14 1 111 ALA 3.40 3.09 1 112 GLN 4.80 1.97 1 113 LYS 5.50 1.60 1 114 GLN 4.00 2.15 1 115 ALA 3.70 2.19 1 117 GLN 5.20 4.02 1 118 ARG 3.90 2.08 1 119 ALA 3.40 1.60 1 120 PHE 1.60 1.84 1 121 ALA 3.40 0.32 1 128 ARG 4.30 2.09 1 129 LYS 4.40 3.42 1 130 ALA 3.30 2.78 1 131 TRP 4.30 4.11 1 132 ALA 2.40 2.48 1 135 GLN 2.90 2.56 1 137 TYR 4.40 1.43 1 138 ILE 5.80 2.38 1 139 LEU 6.10 1.05 1 140 LEU 4.60 0.01 1 142 TYR 3.50 2.04 1 143 LEU 2.50 0.31 1 144 LEU 4.00 2.48 1 145 LEU 4.50 1.38 1 146 LEU 3.50 1.09 1 147 LEU 4.80 0.75 1 148 GLU 3.80 3.09 1 149 ALA 2.80 0.37 1 150 TYR -0.20 -0.17 1 152 LEU -2.80 0.32 1 154 SER -5.90 0.51 1 155 VAL -6.40 -3.74 1 160 PHE -2.40 -2.83 1 166 ARG 5.60 1.99 1 167 ALA 2.70 2.71 1 168 ILE 3.10 1.10 1 169 LEU -1.40 -1.32 1 171 LEU -0.30 -4.04 1 175 ALA -0.70 -0.14 1 176 ALA -4.40 -0.74 1 179 ALA -1.90 -2.92 1 180 LEU -1.50 -0.76 1 181 VAL -2.90 -1.53 1 182 ALA -2.20 -3.14 1 183 LEU -3.20 -4.21 1 185 TYR 2.70 -0.84 1 187 ALA -2.30 -2.67 1 188 GLU -4.20 -2.37 1 191 TYR -3.10 -2.55 1 193 SER -0.20 -0.17 1 194 HIS -4.10 0.96 1 195 ARG -7.00 -0.89 1 196 LEU -1.70 -3.84 1 198 LEU 4.70 1.27 1 199 GLU 3.30 0.56 1 200 ARG 0.90 0.16 1 201 VAL -1.50 -2.33 1 202 VAL -1.60 -1.96 1 203 LEU -4.70 -2.47 1 204 TRP 0.30 -0.55 1 stop_ save_