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 bmr16917_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.80 _LACS_plot.Line_1_terminator_val_y_1 -3.03 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 1.06 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.46 _LACS_plot.Line_2_terminator_val_x_2 9.59 _LACS_plot.Line_2_terminator_val_y_2 7.38 _LACS_plot.Y_axis_chem_shift_offset -0.10 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 123 TYR -6.80 -0.94 0 14 LEU 0.09 -0.01 1 15 VAL -2.06 -2.42 1 21 MET -0.04 -0.17 1 22 ALA -0.22 -0.03 1 24 THR 0.24 0.06 1 25 ASP 0.29 0.32 1 26 SER 0.65 0.64 1 27 GLU 0.46 0.46 1 28 SER 0.91 0.77 1 29 GLU 0.33 0.49 1 30 THR 1.21 0.83 1 31 ARG 0.88 0.56 1 32 VAL 0.75 0.40 1 33 LYS 3.58 0.37 1 34 SER 0.00 -0.01 1 35 VAL 2.45 2.56 1 42 ILE 0.06 0.09 1 44 ASN -0.10 -0.10 1 46 GLU 0.80 0.50 1 47 ASP 0.46 0.48 1 48 GLU -0.07 0.17 1 49 GLN 0.14 0.24 1 50 GLU 0.00 0.24 1 51 THR 0.18 0.12 1 52 SER -0.04 -0.03 1 53 LYS 0.03 -0.05 1 55 SER -0.10 -0.06 1 56 ASP 1.06 0.89 1 57 ASP -0.06 0.50 1 58 GLU 0.60 0.07 1 59 PHE 2.60 2.06 1 60 LEU -0.51 -0.88 1 61 ARG 3.14 1.83 1 63 LYS -1.59 -1.86 1 64 ARG -1.94 -0.96 1 65 VAL -6.22 -3.48 1 66 LEU -4.05 -2.40 1 67 VAL -0.83 -0.22 1 68 VAL -1.12 -1.91 1 69 ASP -1.07 0.57 1 70 ASP 1.18 1.28 1 71 ASN -1.49 -0.41 1 72 PHE 3.89 3.40 1 73 ILE 4.99 3.01 1 75 ARG 4.31 4.29 1 76 LYS 4.52 3.25 1 77 VAL 5.35 4.09 1 78 ALA 4.20 3.01 1 81 LYS 4.11 3.46 1 82 LEU 4.00 2.93 1 83 LYS 5.05 3.55 1 84 LYS 3.82 2.52 1 85 MET 0.17 0.33 1 87 VAL 2.63 0.88 1 88 SER 2.58 2.67 1 89 GLU -4.53 -1.01 1 90 VAL -1.83 -1.73 1 91 GLU -3.59 -2.24 1 92 GLN -4.66 -1.63 1 94 ASP -2.35 -1.20 1 95 SER -3.82 -1.37 1 97 LYS 4.65 3.72 1 98 GLU 1.32 1.32 1 99 ALA 3.48 2.98 1 100 LEU 3.29 2.82 1 101 ARG 5.53 4.25 1 102 LEU 3.26 3.29 1 103 VAL 6.26 5.39 1 105 GLU 3.15 2.84 1 107 LEU 4.45 2.69 1 108 THR 5.02 4.25 1 109 GLN 3.69 2.67 1 110 ARG 3.03 2.02 1 112 GLU 1.72 1.76 1 113 GLN 1.26 0.56 1 115 SER -0.07 -0.31 1 116 VAL 3.89 3.21 1 121 PHE -3.94 -1.51 1 122 ASP 0.71 3.18 1 124 ILE -2.37 -0.85 1 125 PHE -0.48 -0.75 1 126 MET -4.67 -2.28 1 127 ASP 0.45 1.28 1 137 GLU 2.99 2.66 1 138 ALA 3.75 3.05 1 139 THR 9.60 6.81 1 140 ARG 4.94 4.55 1 141 GLU 2.48 2.24 1 142 ILE 5.99 5.09 1 143 ARG 3.67 1.70 1 144 LYS 4.52 4.05 1 146 GLU 2.36 3.23 1 147 LYS 4.05 3.36 1 148 SER 4.14 3.06 1 149 TYR -1.05 0.76 1 151 VAL -6.00 -3.60 1 152 ARG -0.87 0.15 1 153 THR 2.33 2.97 1 155 ILE -1.83 -0.22 1 156 ILE -1.45 -0.86 1 157 ALA -2.79 -0.72 1 158 VAL -0.66 -1.21 1 159 SER -3.34 -1.52 1 161 HIS -1.43 1.41 1 162 ASP -0.08 0.47 1 165 SER -1.02 0.47 1 166 GLU 3.22 2.40 1 167 GLU 5.03 3.55 1 168 ALA 3.09 2.25 1 169 ARG 4.35 3.23 1 170 GLU 2.81 2.09 1 171 THR 4.96 3.89 1 172 ILE 3.07 1.56 1 173 GLN 3.62 2.53 1 174 ALA 0.99 1.09 1 176 MET 2.23 1.85 1 177 ASP -0.32 2.73 1 178 ALA -5.11 -1.28 1 179 PHE -3.39 -0.37 1 180 LEU -5.61 -1.76 1 181 ASP -2.12 -0.95 1 182 LYS -0.70 -1.58 1 183 SER 1.95 1.68 1 184 LEU 4.54 1.34 1 185 ASN 4.03 3.32 1 186 GLN 2.09 -0.12 1 187 LEU 4.30 4.25 1 188 ALA 4.69 3.21 1 189 ASN 3.91 2.91 1 191 ILE 5.51 2.16 1 192 ARG 5.30 4.04 1 193 GLU 3.68 2.92 1 194 ILE 2.94 4.20 1 195 GLU 3.23 2.20 1 196 SER 3.34 2.71 1 197 LYS 1.89 1.35 1 198 ARG 2.36 1.77 1 199 HIS 2.76 3.97 1 200 LEU 0.71 0.44 1 201 GLU 0.47 0.50 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16917_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.80 _LACS_plot.Line_1_terminator_val_y_1 3.77 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.93 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.54 _LACS_plot.Line_2_terminator_val_x_2 9.59 _LACS_plot.Line_2_terminator_val_y_2 -2.21 _LACS_plot.Y_axis_chem_shift_offset -0.10 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 123 TYR -6.80 5.86 0 14 LEU 0.09 -0.10 1 15 VAL -2.06 -0.36 1 21 MET -0.04 -0.13 1 22 ALA -0.22 0.19 1 24 THR 0.24 -0.18 1 25 ASP 0.29 0.03 1 26 SER 0.65 -0.01 1 27 GLU 0.46 0.00 1 28 SER 0.91 -0.14 1 29 GLU 0.33 0.16 1 30 THR 1.21 -0.38 1 31 ARG 0.88 -0.32 1 32 VAL 0.75 -0.35 1 33 LYS 3.58 -3.21 1 34 SER 0.00 -0.01 1 35 VAL 2.45 0.11 1 42 ILE 0.06 0.03 1 44 ASN -0.10 0.00 1 46 GLU 0.80 -0.30 1 47 ASP 0.46 0.02 1 48 GLU -0.07 0.24 1 49 GLN 0.14 0.10 1 50 GLU 0.00 0.24 1 51 THR 0.18 -0.06 1 52 SER -0.04 0.01 1 53 LYS 0.03 -0.08 1 55 SER -0.10 0.04 1 56 ASP 1.06 -0.17 1 57 ASP -0.06 0.56 1 58 GLU 0.60 -0.53 1 59 PHE 2.60 -0.54 1 60 LEU -0.51 -0.37 1 61 ARG 3.14 -1.31 1 63 LYS -1.59 -0.27 1 64 ARG -1.94 0.98 1 65 VAL -6.22 2.74 1 66 LEU -4.05 1.65 1 67 VAL -0.83 0.61 1 68 VAL -1.12 -0.79 1 69 ASP -1.07 1.64 1 70 ASP 1.18 0.10 1 71 ASN -1.49 1.08 1 72 PHE 3.89 -0.49 1 73 ILE 4.99 -1.98 1 75 ARG 4.31 -0.02 1 76 LYS 4.52 -1.27 1 77 VAL 5.35 -1.26 1 78 ALA 4.20 -1.19 1 81 LYS 4.11 -0.65 1 82 LEU 4.00 -1.07 1 83 LYS 5.05 -1.50 1 84 LYS 3.82 -1.30 1 85 MET 0.17 0.16 1 87 VAL 2.63 -1.75 1 88 SER 2.58 0.09 1 89 GLU -4.53 3.52 1 90 VAL -1.83 0.10 1 91 GLU -3.59 1.35 1 92 GLN -4.66 3.03 1 94 ASP -2.35 1.15 1 95 SER -3.82 2.45 1 97 LYS 4.65 -0.93 1 98 GLU 1.32 0.00 1 99 ALA 3.48 -0.50 1 100 LEU 3.29 -0.47 1 101 ARG 5.53 -1.28 1 102 LEU 3.26 0.03 1 103 VAL 6.26 -0.87 1 105 GLU 3.15 -0.31 1 107 LEU 4.45 -1.76 1 108 THR 5.02 -0.77 1 109 GLN 3.69 -1.02 1 110 ARG 3.03 -1.01 1 112 GLU 1.72 0.04 1 113 GLN 1.26 -0.70 1 115 SER -0.07 -0.24 1 116 VAL 3.89 -0.68 1 121 PHE -3.94 2.43 1 122 ASP 0.71 2.47 1 124 ILE -2.37 1.52 1 125 PHE -0.48 -0.27 1 126 MET -4.67 2.39 1 127 ASP 0.45 0.83 1 137 GLU 2.99 -0.33 1 138 ALA 3.75 -0.70 1 139 THR 9.60 -2.79 1 140 ARG 4.94 -0.39 1 141 GLU 2.48 -0.24 1 142 ILE 5.99 -0.90 1 143 ARG 3.67 -1.97 1 144 LYS 4.52 -0.47 1 146 GLU 2.36 0.87 1 147 LYS 4.05 -0.69 1 148 SER 4.14 -1.08 1 149 TYR -1.05 1.81 1 151 VAL -6.00 2.40 1 152 ARG -0.87 1.02 1 153 THR 2.33 0.64 1 155 ILE -1.83 1.61 1 156 ILE -1.45 0.59 1 157 ALA -2.79 2.07 1 158 VAL -0.66 -0.55 1 159 SER -3.34 1.82 1 161 HIS -1.43 2.84 1 162 ASP -0.08 0.55 1 165 SER -1.02 1.49 1 166 GLU 3.22 -0.82 1 167 GLU 5.03 -1.48 1 168 ALA 3.09 -0.84 1 169 ARG 4.35 -1.12 1 170 GLU 2.81 -0.72 1 171 THR 4.96 -1.07 1 172 ILE 3.07 -1.51 1 173 GLN 3.62 -1.09 1 174 ALA 0.99 0.10 1 176 MET 2.23 -0.38 1 177 ASP -0.32 3.05 1 178 ALA -5.11 3.83 1 179 PHE -3.39 3.02 1 180 LEU -5.61 3.85 1 181 ASP -2.12 1.17 1 182 LYS -0.70 -0.88 1 183 SER 1.95 -0.27 1 184 LEU 4.54 -3.20 1 185 ASN 4.03 -0.71 1 186 GLN 2.09 -2.21 1 187 LEU 4.30 -0.05 1 188 ALA 4.69 -1.48 1 189 ASN 3.91 -1.00 1 191 ILE 5.51 -3.35 1 192 ARG 5.30 -1.26 1 193 GLU 3.68 -0.76 1 194 ILE 2.94 1.26 1 195 GLU 3.23 -1.03 1 196 SER 3.34 -0.63 1 197 LYS 1.89 -0.54 1 198 ARG 2.36 -0.59 1 199 HIS 2.76 1.21 1 200 LEU 0.71 -0.27 1 201 GLU 0.47 0.03 1 stop_ save_