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 bmr25776_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.31 _LACS_plot.Line_1_terminator_val_y_1 -2.18 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.67 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.49 _LACS_plot.Line_2_terminator_val_x_2 5.08 _LACS_plot.Line_2_terminator_val_y_2 4.78 _LACS_plot.Y_axis_chem_shift_offset -0.99 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 52 MET 1.20 -2.23 0 10 ARG -3.38 -1.51 1 13 PHE -0.97 1.55 1 19 ASP 0.13 1.07 1 20 ASP 0.16 0.89 1 21 SER 0.93 1.83 1 22 SER 0.67 1.54 1 23 SER 0.33 1.33 1 24 ASP 0.55 1.29 1 25 ILE 0.59 1.46 1 26 LYS 0.28 0.99 1 27 LEU 0.15 1.07 1 28 ASP 0.17 1.15 1 30 ALA 0.29 1.32 1 31 LYS 0.42 1.27 1 32 GLN 0.45 1.24 1 33 ARG 0.03 1.08 1 36 LYS -0.14 1.02 1 37 ALA -0.24 1.07 1 38 THR -0.50 0.75 1 39 VAL -0.24 0.90 1 40 ASP -0.04 1.08 1 41 SER -0.16 1.07 1 42 ASP -0.06 1.24 1 43 THR -0.25 0.97 1 44 GLN -2.68 1.58 1 45 LEU 0.80 1.02 1 47 LEU -6.71 -0.77 1 48 THR -5.27 -2.23 1 49 PHE -5.35 -1.96 1 50 THR -3.02 1.51 1 51 TYR -4.69 -1.04 1 53 PHE -0.60 -0.09 1 54 ALA -5.49 -1.06 1 55 ASP 5.09 4.94 1 56 LYS -2.67 -0.33 1 57 TRP -7.12 -1.54 1 59 VAL -4.70 -1.56 1 60 GLU -8.99 -2.85 1 61 LEU -5.59 -1.11 1 62 VAL -2.11 0.08 1 63 ALA -5.65 -1.25 1 64 ALA -4.40 -0.33 1 65 THR 1.32 -0.14 1 74 LYS -1.13 -0.17 1 76 LEU -2.52 1.08 1 80 LEU -0.31 0.30 1 81 ASP 2.52 3.57 1 92 ALA -3.46 0.17 1 93 THR -2.28 0.27 1 94 LEU -5.67 -0.91 1 95 LEU -3.84 0.43 1 96 LEU -2.54 0.21 1 97 GLN -8.43 -0.31 1 98 TYR -6.65 -2.24 1 99 TYR -2.37 -1.04 1 101 MET 0.69 -1.25 1 104 THR -3.26 -0.35 1 105 ASN 0.37 0.31 1 106 SER -0.42 0.99 1 107 ALA 2.07 2.50 1 108 PHE -2.67 -1.04 1 109 GLN -1.94 -0.76 1 111 TYR -1.47 -0.83 1 114 LEU -7.07 -0.49 1 116 VAL -5.95 -1.48 1 117 ASN -5.84 -0.16 1 118 TYR -5.10 -1.34 1 119 THR -1.48 1.15 1 120 THR -4.89 -2.60 1 122 PHE -1.45 -0.82 1 123 ASP 2.89 1.63 1 124 GLU 3.73 3.29 1 125 ASP -2.64 -0.19 1 126 LEU -1.29 1.17 1 127 ALA -0.74 0.22 1 130 ARG 1.41 0.84 1 131 LYS 4.45 4.26 1 132 ALA 2.84 2.87 1 133 GLN 0.44 1.40 1 135 PHE 0.50 1.19 1 136 SER -1.07 1.38 1 137 SER -1.14 0.65 1 138 MET -3.58 0.48 1 142 ASP 1.47 2.11 1 143 SER -3.07 -0.65 1 144 TRP -4.38 -0.62 1 146 LEU -1.69 1.07 1 147 ALA -7.58 -1.57 1 149 GLU -9.31 -0.80 1 150 LEU -6.25 -0.16 1 152 PHE -1.88 1.01 1 153 ASP -4.73 -0.73 1 154 TYR -4.03 -0.01 1 155 MET 3.74 0.01 1 156 LEU -0.04 1.47 1 157 ASN 1.08 0.09 1 158 GLU 3.46 4.08 1 159 HIS -1.95 2.44 1 160 ALA -3.51 -0.18 1 161 LEU -4.31 -0.22 1 162 PHE -5.17 -0.68 1 163 ASN -8.29 -0.15 1 164 MET -5.23 0.51 1 165 ALA -4.13 -0.09 1 166 VAL -4.80 -1.57 1 167 TRP -3.96 0.10 1 168 TYR -4.35 -0.71 1 169 MET -1.00 0.24 1 170 ASP 0.10 0.68 1 171 ILE -1.88 -0.16 1 172 ASP -2.39 -0.40 1 173 THR -1.06 -0.86 1 176 SER -0.65 0.53 1 177 ILE -0.09 1.25 1 178 ASN -0.46 2.56 1 182 ALA 1.05 1.72 1 183 LEU -0.05 0.73 1 185 VAL 0.28 0.85 1 186 ASN 0.49 1.49 1 187 LYS 0.06 1.00 1 190 VAL -0.13 0.92 1 191 ASP 0.19 1.07 1 192 VAL -0.58 0.62 1 193 ASP 0.08 1.01 1 198 VAL -3.96 -1.76 1 199 TYR -4.22 -2.39 1 201 ILE -4.27 -0.63 1 203 PHE -7.35 -1.25 1 205 TYR -6.60 -0.21 1 206 LYS -3.09 -0.77 1 207 PHE -1.07 0.99 1 208 LEU -1.94 0.37 1 209 GLU -0.42 1.13 1 210 HIS 0.02 2.17 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25776_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.31 _LACS_plot.Line_1_terminator_val_y_1 7.13 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.33 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 1.51 _LACS_plot.Line_2_terminator_val_x_2 5.08 _LACS_plot.Line_2_terminator_val_y_2 -0.30 _LACS_plot.Y_axis_chem_shift_offset -0.99 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 52 MET 1.20 -3.43 0 10 ARG -3.38 1.87 1 13 PHE -0.97 2.52 1 19 ASP 0.13 0.94 1 20 ASP 0.16 0.73 1 21 SER 0.93 0.90 1 22 SER 0.67 0.87 1 23 SER 0.33 1.00 1 24 ASP 0.55 0.74 1 25 ILE 0.59 0.87 1 26 LYS 0.28 0.71 1 27 LEU 0.15 0.92 1 28 ASP 0.17 0.98 1 30 ALA 0.29 1.03 1 31 LYS 0.42 0.85 1 32 GLN 0.45 0.79 1 33 ARG 0.03 1.05 1 36 LYS -0.14 1.16 1 37 ALA -0.24 1.31 1 38 THR -0.50 1.25 1 39 VAL -0.24 1.14 1 40 ASP -0.04 1.12 1 41 SER -0.16 1.23 1 42 ASP -0.06 1.30 1 43 THR -0.25 1.22 1 44 GLN -2.68 4.26 1 45 LEU 0.80 0.22 1 47 LEU -6.71 5.94 1 48 THR -5.27 3.04 1 49 PHE -5.35 3.39 1 50 THR -3.02 4.53 1 51 TYR -4.69 3.65 1 53 PHE -0.60 0.51 1 54 ALA -5.49 4.43 1 55 ASP 5.09 -0.15 1 56 LYS -2.67 2.34 1 57 TRP -7.12 5.58 1 59 VAL -4.70 3.14 1 60 GLU -8.99 6.14 1 61 LEU -5.59 4.48 1 62 VAL -2.11 2.19 1 63 ALA -5.65 4.40 1 64 ALA -4.40 4.07 1 65 THR 1.32 -1.46 1 74 LYS -1.13 0.96 1 76 LEU -2.52 3.60 1 80 LEU -0.31 0.61 1 81 ASP 2.52 1.05 1 92 ALA -3.46 3.63 1 93 THR -2.28 2.55 1 94 LEU -5.67 4.76 1 95 LEU -3.84 4.27 1 96 LEU -2.54 2.75 1 97 GLN -8.43 8.12 1 98 TYR -6.65 4.41 1 99 TYR -2.37 1.33 1 101 MET 0.69 -1.94 1 104 THR -3.26 2.91 1 105 ASN 0.37 -0.06 1 106 SER -0.42 1.41 1 107 ALA 2.07 0.43 1 108 PHE -2.67 1.63 1 109 GLN -1.94 1.18 1 111 TYR -1.47 0.64 1 114 LEU -7.07 6.58 1 116 VAL -5.95 4.47 1 117 ASN -5.84 5.68 1 118 TYR -5.10 3.76 1 119 THR -1.48 2.63 1 120 THR -4.89 2.29 1 122 PHE -1.45 0.63 1 123 ASP 2.89 -1.26 1 124 GLU 3.73 -0.44 1 125 ASP -2.64 2.45 1 126 LEU -1.29 2.46 1 127 ALA -0.74 0.96 1 130 ARG 1.41 -0.57 1 131 LYS 4.45 -0.19 1 132 ALA 2.84 0.03 1 133 GLN 0.44 0.96 1 135 PHE 0.50 0.69 1 136 SER -1.07 2.45 1 137 SER -1.14 1.79 1 138 MET -3.58 4.06 1 142 ASP 1.47 0.64 1 143 SER -3.07 2.42 1 144 TRP -4.38 3.76 1 146 LEU -1.69 2.76 1 147 ALA -7.58 6.01 1 149 GLU -9.31 8.51 1 150 LEU -6.25 6.09 1 152 PHE -1.88 2.89 1 153 ASP -4.73 4.00 1 154 TYR -4.03 4.02 1 155 MET 3.74 -3.73 1 156 LEU -0.04 1.51 1 157 ASN 1.08 -0.99 1 158 GLU 3.46 0.62 1 159 HIS -1.95 4.39 1 160 ALA -3.51 3.33 1 161 LEU -4.31 4.09 1 162 PHE -5.17 4.49 1 163 ASN -8.29 8.14 1 164 MET -5.23 5.74 1 165 ALA -4.13 4.04 1 166 VAL -4.80 3.23 1 167 TRP -3.96 4.06 1 168 TYR -4.35 3.64 1 169 MET -1.00 1.24 1 170 ASP 0.10 0.58 1 171 ILE -1.88 1.72 1 172 ASP -2.39 1.99 1 173 THR -1.06 0.20 1 176 SER -0.65 1.18 1 177 ILE -0.09 1.34 1 178 ASN -0.46 3.02 1 182 ALA 1.05 0.67 1 183 LEU -0.05 0.78 1 185 VAL 0.28 0.57 1 186 ASN 0.49 1.00 1 187 LYS 0.06 0.94 1 190 VAL -0.13 1.05 1 191 ASP 0.19 0.88 1 192 VAL -0.58 1.20 1 193 ASP 0.08 0.93 1 198 VAL -3.96 2.20 1 199 TYR -4.22 1.83 1 201 ILE -4.27 3.64 1 203 PHE -7.35 6.10 1 205 TYR -6.60 6.39 1 206 LYS -3.09 2.32 1 207 PHE -1.07 2.06 1 208 LEU -1.94 2.31 1 209 GLU -0.42 1.55 1 210 HIS 0.02 2.15 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25776_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -9.31 _LACS_plot.Line_1_terminator_val_y_1 -3.44 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.01 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.32 _LACS_plot.Line_2_terminator_val_x_2 5.08 _LACS_plot.Line_2_terminator_val_y_2 1.42 _LACS_plot.Y_axis_chem_shift_offset 0.58 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 81 ASP 2.52 3.99 0 55 ASP 5.09 -1.52 0 131 LYS 4.45 4.34 0 178 ASN -0.46 3.92 0 10 ARG -3.38 -1.23 1 13 PHE -0.97 -0.34 1 19 ASP 0.13 -0.25 1 20 ASP 0.16 0.49 1 21 SER 0.93 0.62 1 22 SER 0.67 0.28 1 23 SER 0.33 -0.30 1 24 ASP 0.55 -0.05 1 25 ILE 0.59 -0.20 1 26 LYS 0.28 0.02 1 27 LEU 0.15 -0.52 1 28 ASP 0.17 0.63 1 30 ALA 0.29 0.20 1 31 LYS 0.42 0.05 1 32 GLN 0.45 -0.14 1 33 ARG 0.03 0.19 1 36 LYS -0.14 -0.57 1 37 ALA -0.24 -0.23 1 38 THR -0.50 -0.14 1 39 VAL -0.24 -0.78 1 40 ASP -0.04 -0.17 1 41 SER -0.16 -0.45 1 42 ASP -0.06 0.28 1 43 THR -0.25 1.54 1 44 GLN -2.68 1.06 1 45 LEU 0.80 -1.18 1 47 LEU -6.71 -2.18 1 48 THR -5.27 -2.35 1 49 PHE -5.35 -1.18 1 50 THR -3.02 -1.43 1 51 TYR -4.69 -1.06 1 52 MET 1.20 -1.83 1 53 PHE -0.60 -2.11 1 54 ALA -5.49 -2.82 1 56 LYS -2.67 -1.67 1 57 TRP -7.12 -2.14 1 59 VAL -4.70 -3.33 1 60 GLU -8.99 -2.14 1 61 LEU -5.59 -2.85 1 62 VAL -2.11 -1.85 1 63 ALA -5.65 -3.77 1 64 ALA -4.40 -0.96 1 65 THR 1.32 2.04 1 74 LYS -1.13 1.10 1 76 LEU -2.52 -0.60 1 80 LEU -0.31 -1.54 1 92 ALA -3.46 -2.16 1 93 THR -2.28 -3.26 1 94 LEU -5.67 -2.60 1 95 LEU -3.84 -2.33 1 96 LEU -2.54 -2.60 1 97 GLN -8.43 -1.68 1 98 TYR -6.65 -2.49 1 99 TYR -2.37 0.51 1 101 MET 0.69 1.92 1 104 THR -3.26 -0.45 1 105 ASN 0.37 -0.17 1 106 SER -0.42 1.36 1 107 ALA 2.07 -1.25 1 108 PHE -2.67 -1.55 1 109 GLN -1.94 -2.10 1 111 TYR -1.47 -2.12 1 114 LEU -7.07 -1.72 1 116 VAL -5.95 -3.68 1 117 ASN -5.84 -4.10 1 118 TYR -5.10 -1.55 1 119 THR -1.48 -3.47 1 120 THR -4.89 -3.53 1 122 PHE -1.45 -3.24 1 123 ASP 2.89 -1.06 1 124 GLU 3.73 0.94 1 125 ASP -2.64 -0.11 1 126 LEU -1.29 -1.79 1 127 ALA -0.74 2.03 1 130 ARG 1.41 3.13 1 132 ALA 2.84 0.95 1 133 GLN 0.44 -0.47 1 135 PHE 0.50 -0.88 1 136 SER -1.07 -0.19 1 137 SER -1.14 -2.44 1 138 MET -3.58 -3.11 1 142 ASP 1.47 -0.60 1 143 SER -3.07 -2.31 1 144 TRP -4.38 1.21 1 146 LEU -1.69 -2.69 1 147 ALA -7.58 -2.21 1 149 GLU -9.31 -2.52 1 150 LEU -6.25 -3.29 1 152 PHE -1.88 -4.34 1 153 ASP -4.73 0.22 1 154 TYR -4.03 -0.31 1 155 MET 3.74 -1.36 1 156 LEU -0.04 -0.03 1 157 ASN 1.08 -1.63 1 158 GLU 3.46 -0.57 1 159 HIS -1.95 -0.94 1 160 ALA -3.51 -1.59 1 161 LEU -4.31 -2.68 1 162 PHE -5.17 -3.81 1 163 ASN -8.29 -3.84 1 164 MET -5.23 -3.46 1 165 ALA -4.13 -3.75 1 166 VAL -4.80 -3.74 1 167 TRP -3.96 -2.08 1 168 TYR -4.35 -0.79 1 169 MET -1.00 -3.61 1 170 ASP 0.10 -1.44 1 171 ILE -1.88 -1.92 1 172 ASP -2.39 -1.78 1 173 THR -1.06 -2.53 1 176 SER -0.65 0.07 1 177 ILE -0.09 -1.46 1 182 ALA 1.05 -0.12 1 183 LEU -0.05 -0.25 1 185 VAL 0.28 -0.83 1 186 ASN 0.49 -0.48 1 187 LYS 0.06 -1.95 1 190 VAL -0.13 -0.76 1 191 ASP 0.19 -0.59 1 192 VAL -0.58 -0.87 1 193 ASP 0.08 -0.18 1 198 VAL -3.96 -1.70 1 199 TYR -4.22 -2.30 1 201 ILE -4.27 -2.38 1 203 PHE -7.35 -1.74 1 205 TYR -6.60 -2.91 1 206 LYS -3.09 -2.44 1 207 PHE -1.07 -0.71 1 208 LEU -1.94 -1.02 1 209 GLU -0.42 -0.37 1 210 HIS 0.02 0.82 1 stop_ save_