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 bmr26768_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 -2.66 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.98 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.57 _LACS_plot.Line_2_terminator_val_x_2 6.60 _LACS_plot.Line_2_terminator_val_y_2 5.27 _LACS_plot.Y_axis_chem_shift_offset -0.09 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 74 HIS -5.65 0.26 0 70 MET 6.40 1.29 0 10 ALA 0.15 0.31 1 11 ARG 0.41 0.51 1 12 GLU 0.13 0.46 1 13 THR 0.34 0.42 1 14 GLN 0.46 0.56 1 15 GLU 0.67 0.86 1 16 SER 0.67 0.73 1 17 GLU -0.35 0.18 1 18 ARG 0.47 0.67 1 19 LYS -1.21 -0.43 1 23 TYR -3.63 -2.08 1 24 LYS -0.46 -1.02 1 25 HIS -1.34 1.10 1 26 ILE -4.39 -1.36 1 27 LYS -1.49 0.89 1 28 VAL -7.00 -3.69 1 29 ASN 0.85 1.14 1 30 LYS -5.41 -3.15 1 32 TYR -3.86 -0.38 1 34 LYS 1.10 0.31 1 35 VAL 2.01 1.55 1 36 GLN -3.84 -1.19 1 37 ILE -2.20 -0.78 1 38 TYR -1.09 -0.12 1 39 THR -2.17 -1.15 1 40 ALA -2.26 -1.16 1 41 ASP -2.43 -0.12 1 42 ILE 4.13 3.05 1 43 SER 2.79 2.24 1 44 GLU -1.86 -0.81 1 45 ILE 0.18 0.10 1 47 LYS -4.30 -1.54 1 49 ASN -2.35 -1.06 1 51 LYS -3.02 -1.33 1 53 THR -0.41 -1.27 1 54 ASP 0.94 0.66 1 55 GLU 2.41 2.51 1 56 ASN -0.20 0.62 1 60 PHE 3.98 3.45 1 61 ASP 0.49 -0.47 1 62 SER -2.10 0.51 1 63 GLU 0.45 -0.99 1 65 LEU 1.64 3.04 1 66 ASN 4.95 2.68 1 67 ARG 4.92 4.53 1 68 MET 3.47 3.43 1 69 LEU -0.92 -0.94 1 71 PHE -3.33 -2.03 1 72 GLU -2.01 0.63 1 76 GLN 1.13 1.13 1 77 VAL -1.11 0.89 1 80 ALA 0.27 0.26 1 82 GLU 1.97 1.25 1 83 PHE 0.35 0.25 1 85 GLN 1.40 -0.06 1 86 ASN -2.02 -0.98 1 87 GLN -0.39 -0.61 1 89 PHE 4.69 3.14 1 90 THR 6.60 5.43 1 91 LYS 2.14 1.85 1 92 ARG 4.63 1.03 1 93 GLN 0.50 -0.98 1 94 TYR -3.57 -3.87 1 96 GLU 1.06 1.63 1 97 THR -6.27 -2.15 1 98 LYS -4.69 -1.16 1 99 ILE -0.17 0.01 1 100 ILE -6.09 -2.14 1 101 LYS 0.90 0.28 1 102 THR -3.57 -2.55 1 105 LYS -0.16 -1.26 1 107 TRP -0.96 0.34 1 115 ILE -3.67 -0.96 1 116 ARG -2.28 -1.02 1 117 LYS 3.35 3.17 1 119 GLU 0.66 2.15 1 120 PHE -0.25 0.03 1 121 VAL 0.35 0.78 1 122 ASN -5.00 -0.97 1 123 GLU -5.95 -2.72 1 124 TYR 0.53 0.28 1 125 VAL -5.98 -3.86 1 127 GLU -2.65 -0.59 1 128 LEU -3.30 -0.91 1 129 ILE -5.49 -2.07 1 130 ASP -3.77 -3.14 1 131 GLU 3.85 4.04 1 132 GLU 3.61 3.40 1 133 GLU 2.56 1.80 1 135 MET 4.06 2.91 1 136 ALA 3.94 3.02 1 137 ARG 4.42 4.17 1 138 ILE 5.91 5.14 1 139 LYS 4.41 3.90 1 140 HIS 3.47 4.81 1 141 ALA 3.36 3.12 1 142 HIS 2.47 3.37 1 143 GLU 1.79 1.79 1 144 ASN -0.55 0.48 1 145 ASP 3.32 1.69 1 146 ILE 1.24 0.00 1 147 THR 0.77 0.73 1 148 HIS -4.44 0.15 1 149 PHE -4.10 0.18 1 150 TYR -2.63 -1.15 1 151 MET -2.05 0.14 1 152 LEU -3.75 0.59 1 153 THR 2.87 2.92 1 154 ILE 2.59 2.93 1 155 ASP -2.18 -1.44 1 156 LYS 3.44 2.29 1 157 ASP -1.11 0.66 1 158 ARG -2.67 0.43 1 159 ILE -4.53 -0.15 1 160 ILE -0.42 0.33 1 161 ASP -2.74 -1.43 1 162 ALA -1.02 -1.39 1 165 LYS -5.74 -2.72 1 167 ASN -1.67 -2.22 1 168 TYR 5.66 3.56 1 170 ARG 2.50 1.62 1 171 PHE 2.19 2.14 1 172 MET 1.62 2.34 1 173 ASN -0.29 0.40 1 174 HIS -0.33 1.44 1 175 SER -3.67 -2.25 1 177 GLN -2.67 -2.50 1 179 ASN -1.10 -0.86 1 181 GLU -5.72 -2.66 1 182 THR -2.97 -2.66 1 183 LEU -5.20 -0.66 1 184 LYS 1.33 0.36 1 186 THR 2.37 0.88 1 187 VAL -2.43 -1.09 1 188 ASN 2.21 1.35 1 190 ASP -6.11 -2.20 1 191 THR 1.50 1.35 1 192 ARG -6.96 -2.62 1 193 VAL 1.00 0.47 1 195 LEU -3.13 -2.54 1 196 PHE -5.91 -2.07 1 197 ALA -0.01 0.45 1 198 VAL 0.46 -0.62 1 200 ASP 1.56 0.94 1 201 ILE -2.65 0.29 1 203 ALA 2.28 1.33 1 205 THR 1.67 1.17 1 206 GLU 1.78 1.13 1 207 LEU -1.68 -0.81 1 208 THR -6.62 -2.83 1 209 PHE -4.95 -1.99 1 210 ASN -1.13 -1.00 1 211 TYR 1.57 -0.37 1 212 ASN 2.73 2.63 1 213 LEU 2.39 1.60 1 214 ASP -1.04 1.60 1 216 LEU -2.40 -0.23 1 218 ASN -0.44 0.51 1 219 GLU 3.75 2.86 1 220 LYS 1.73 0.03 1 221 THR 1.55 1.44 1 222 VAL 1.47 1.08 1 224 ARG -0.49 -2.33 1 227 ALA -1.90 0.19 1 229 ASN 0.20 -1.16 1 231 SER 1.31 1.78 1 233 PHE -4.72 -1.00 1 234 LEU 1.41 -0.01 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26768_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 4.34 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.02 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.43 _LACS_plot.Line_2_terminator_val_x_2 6.60 _LACS_plot.Line_2_terminator_val_y_2 -1.33 _LACS_plot.Y_axis_chem_shift_offset -0.09 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 74 HIS -5.65 5.91 0 70 MET 6.40 -5.11 0 10 ALA 0.15 0.16 1 11 ARG 0.41 0.10 1 12 GLU 0.13 0.33 1 13 THR 0.34 0.08 1 14 GLN 0.46 0.10 1 15 GLU 0.67 0.19 1 16 SER 0.67 0.06 1 17 GLU -0.35 0.53 1 18 ARG 0.47 0.20 1 19 LYS -1.21 0.78 1 23 TYR -3.63 1.55 1 24 LYS -0.46 -0.56 1 25 HIS -1.34 2.44 1 26 ILE -4.39 3.03 1 27 LYS -1.49 2.38 1 28 VAL -7.00 3.31 1 29 ASN 0.85 0.29 1 30 LYS -5.41 2.26 1 32 TYR -3.86 3.48 1 34 LYS 1.10 -0.79 1 35 VAL 2.01 -0.46 1 36 GLN -3.84 2.65 1 37 ILE -2.20 1.42 1 38 TYR -1.09 0.97 1 39 THR -2.17 1.02 1 40 ALA -2.26 1.10 1 41 ASP -2.43 2.31 1 42 ILE 4.13 -1.08 1 43 SER 2.79 -0.55 1 44 GLU -1.86 1.05 1 45 ILE 0.18 -0.08 1 47 LYS -4.30 2.76 1 49 ASN -2.35 1.29 1 51 LYS -3.02 1.69 1 53 THR -0.41 -0.86 1 54 ASP 0.94 -0.28 1 55 GLU 2.41 0.10 1 56 ASN -0.20 0.82 1 60 PHE 3.98 -0.53 1 61 ASP 0.49 -0.96 1 62 SER -2.10 2.61 1 63 GLU 0.45 -1.44 1 65 LEU 1.64 1.40 1 66 ASN 4.95 -2.27 1 67 ARG 4.92 -0.39 1 68 MET 3.47 -0.04 1 69 LEU -0.92 -0.02 1 71 PHE -3.33 1.30 1 72 GLU -2.01 2.64 1 76 GLN 1.13 0.00 1 77 VAL -1.11 2.00 1 80 ALA 0.27 -0.01 1 82 GLU 1.97 -0.72 1 83 PHE 0.35 -0.10 1 85 GLN 1.40 -1.46 1 86 ASN -2.02 1.04 1 87 GLN -0.39 -0.22 1 89 PHE 4.69 -1.55 1 90 THR 6.60 -1.17 1 91 LYS 2.14 -0.29 1 92 ARG 4.63 -3.60 1 93 GLN 0.50 -1.48 1 94 TYR -3.57 -0.30 1 96 GLU 1.06 0.57 1 97 THR -6.27 4.12 1 98 LYS -4.69 3.53 1 99 ILE -0.17 0.18 1 100 ILE -6.09 3.95 1 101 LYS 0.90 -0.62 1 102 THR -3.57 1.02 1 105 LYS -0.16 -1.10 1 107 TRP -0.96 1.30 1 115 ILE -3.67 2.71 1 116 ARG -2.28 1.26 1 117 LYS 3.35 -0.18 1 119 GLU 0.66 1.49 1 120 PHE -0.25 0.28 1 121 VAL 0.35 0.43 1 122 ASN -5.00 4.03 1 123 GLU -5.95 3.23 1 124 TYR 0.53 -0.25 1 125 VAL -5.98 2.12 1 127 GLU -2.65 2.06 1 128 LEU -3.30 2.39 1 129 ILE -5.49 3.42 1 130 ASP -3.77 0.63 1 131 GLU 3.85 0.19 1 132 GLU 3.61 -0.21 1 133 GLU 2.56 -0.76 1 135 MET 4.06 -1.15 1 136 ALA 3.94 -0.92 1 137 ARG 4.42 -0.25 1 138 ILE 5.91 -0.77 1 139 LYS 4.41 -0.51 1 140 HIS 3.47 1.34 1 141 ALA 3.36 -0.24 1 142 HIS 2.47 0.90 1 143 GLU 1.79 0.00 1 144 ASN -0.55 1.03 1 145 ASP 3.32 -1.63 1 146 ILE 1.24 -1.24 1 147 THR 0.77 -0.04 1 148 HIS -4.44 4.59 1 149 PHE -4.10 4.28 1 150 TYR -2.63 1.48 1 151 MET -2.05 2.19 1 152 LEU -3.75 4.34 1 153 THR 2.87 0.05 1 154 ILE 2.59 0.34 1 155 ASP -2.18 0.74 1 156 LYS 3.44 -1.15 1 157 ASP -1.11 1.77 1 158 ARG -2.67 3.10 1 159 ILE -4.53 4.38 1 160 ILE -0.42 0.75 1 161 ASP -2.74 1.31 1 162 ALA -1.02 -0.37 1 165 LYS -5.74 3.02 1 167 ASN -1.67 -0.55 1 168 TYR 5.66 -2.10 1 170 ARG 2.50 -0.88 1 171 PHE 2.19 -0.05 1 172 MET 1.62 0.72 1 173 ASN -0.29 0.69 1 174 HIS -0.33 1.77 1 175 SER -3.67 1.42 1 177 GLN -2.67 0.17 1 179 ASN -1.10 0.24 1 181 GLU -5.72 3.06 1 182 THR -2.97 0.31 1 183 LEU -5.20 4.54 1 184 LYS 1.33 -0.97 1 186 THR 2.37 -1.49 1 187 VAL -2.43 1.34 1 188 ASN 2.21 -0.86 1 190 ASP -6.11 3.91 1 191 THR 1.50 -0.15 1 192 ARG -6.96 4.34 1 193 VAL 1.00 -0.53 1 195 LEU -3.13 0.59 1 196 PHE -5.91 3.84 1 197 ALA -0.01 0.46 1 198 VAL 0.46 -1.08 1 200 ASP 1.56 -0.62 1 201 ILE -2.65 2.94 1 203 ALA 2.28 -0.95 1 205 THR 1.67 -0.50 1 206 GLU 1.78 -0.65 1 207 LEU -1.68 0.87 1 208 THR -6.62 3.79 1 209 PHE -4.95 2.96 1 210 ASN -1.13 0.13 1 211 TYR 1.57 -1.94 1 212 ASN 2.73 -0.10 1 213 LEU 2.39 -0.79 1 214 ASP -1.04 2.64 1 216 LEU -2.40 2.17 1 218 ASN -0.44 0.95 1 219 GLU 3.75 -0.89 1 220 LYS 1.73 -1.70 1 221 THR 1.55 -0.11 1 222 VAL 1.47 -0.39 1 224 ARG -0.49 -1.84 1 227 ALA -1.90 2.09 1 229 ASN 0.20 -1.36 1 231 SER 1.31 0.47 1 233 PHE -4.72 3.72 1 234 LEU 1.41 -1.42 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26768_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 -2.23 _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 -0.85 _LACS_plot.Line_2_terminator_val_x_2 6.60 _LACS_plot.Line_2_terminator_val_y_2 1.65 _LACS_plot.Y_axis_chem_shift_offset 0.25 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 174 HIS -0.33 6.24 0 10 ALA 0.15 0.04 1 11 ARG 0.41 0.32 1 12 GLU 0.13 0.39 1 13 THR 0.34 0.16 1 14 GLN 0.46 0.52 1 15 GLU 0.67 0.51 1 16 SER 0.67 0.27 1 17 GLU -0.35 0.02 1 18 ARG 0.47 -0.56 1 23 TYR -3.63 -3.26 1 24 LYS -0.46 -2.82 1 25 HIS -1.34 2.57 1 26 ILE -4.39 -2.44 1 27 LYS -1.49 1.16 1 28 VAL -7.00 -2.94 1 29 ASN 0.85 0.81 1 32 TYR -3.86 0.14 1 34 LYS 1.10 0.10 1 35 VAL 2.01 -1.90 1 36 GLN -3.84 -1.21 1 37 ILE -2.20 -0.77 1 38 TYR -1.09 -1.33 1 39 THR -2.17 -1.29 1 40 ALA -2.26 -0.30 1 41 ASP -2.43 1.41 1 42 ILE 4.13 0.74 1 43 SER 2.79 0.78 1 44 GLU -1.86 -0.03 1 47 LYS -4.30 -0.15 1 49 ASN -2.35 1.07 1 53 THR -0.41 0.70 1 54 ASP 0.94 -0.96 1 55 GLU 2.41 0.49 1 60 PHE 3.98 0.29 1 61 ASP 0.49 -0.61 1 62 SER -2.10 0.10 1 63 GLU 0.45 -1.68 1 65 LEU 1.64 1.19 1 66 ASN 4.95 2.87 1 67 ARG 4.92 3.74 1 68 MET 3.47 1.03 1 69 LEU -0.92 -2.68 1 70 MET 6.40 -2.27 1 71 PHE -3.33 0.05 1 72 GLU -2.01 0.18 1 76 GLN 1.13 -0.25 1 77 VAL -1.11 -0.79 1 80 ALA 0.27 -0.12 1 82 GLU 1.97 -0.20 1 83 PHE 0.35 -1.15 1 85 GLN 1.40 -0.78 1 86 ASN -2.02 -0.91 1 87 GLN -0.39 -0.16 1 89 PHE 4.69 6.28 1 90 THR 6.60 1.76 1 91 LYS 2.14 -0.86 1 92 ARG 4.63 -1.33 1 93 GLN 0.50 -1.39 1 96 GLU 1.06 0.01 1 97 THR -6.27 -1.05 1 98 LYS -4.69 -2.83 1 99 ILE -0.17 0.37 1 100 ILE -6.09 -1.78 1 101 LYS 0.90 -0.40 1 105 LYS -0.16 -1.32 1 107 TRP -0.96 0.75 1 115 ILE -3.67 -0.93 1 116 ARG -2.28 -0.89 1 117 LYS 3.35 -0.18 1 119 GLU 0.66 -0.60 1 120 PHE -0.25 -1.58 1 121 VAL 0.35 -1.87 1 122 ASN -5.00 -3.72 1 123 GLU -5.95 -2.26 1 124 TYR 0.53 -2.42 1 125 VAL -5.98 -1.02 1 127 GLU -2.65 -1.27 1 128 LEU -3.30 -2.99 1 129 ILE -5.49 -2.22 1 130 ASP -3.77 0.31 1 131 GLU 3.85 1.85 1 132 GLU 3.61 2.94 1 133 GLU 2.56 1.52 1 135 MET 4.06 3.23 1 136 ALA 3.94 3.27 1 137 ARG 4.42 4.27 1 138 ILE 5.91 0.83 1 139 LYS 4.41 2.51 1 140 HIS 3.47 4.01 1 141 ALA 3.36 2.86 1 142 HIS 2.47 5.32 1 143 GLU 1.79 0.49 1 144 ASN -0.55 -2.13 1 145 ASP 3.32 -1.55 1 146 ILE 1.24 0.35 1 147 THR 0.77 -0.93 1 148 HIS -4.44 -1.09 1 149 PHE -4.10 -0.36 1 150 TYR -2.63 2.38 1 151 MET -2.05 -0.49 1 152 LEU -3.75 -2.07 1 153 THR 2.87 -0.51 1 154 ILE 2.59 -1.38 1 155 ASP -2.18 -0.89 1 156 LYS 3.44 -0.23 1 157 ASP -1.11 -0.60 1 158 ARG -2.67 -3.11 1 159 ILE -4.53 -2.59 1 160 ILE -0.42 -1.27 1 161 ASP -2.74 0.20 1 162 ALA -1.02 -1.25 1 165 LYS -5.74 -3.80 1 167 ASN -1.67 1.21 1 168 TYR 5.66 2.17 1 170 ARG 2.50 -1.44 1 171 PHE 2.19 -1.50 1 172 MET 1.62 1.71 1 173 ASN -0.29 -3.02 1 175 SER -3.67 -3.00 1 179 ASN -1.10 0.65 1 181 GLU -5.72 -1.79 1 182 THR -2.97 0.79 1 183 LEU -5.20 -1.07 1 184 LYS 1.33 -0.97 1 186 THR 2.37 0.00 1 187 VAL -2.43 -1.01 1 188 ASN 2.21 0.92 1 190 ASP -6.11 -1.32 1 191 THR 1.50 -1.12 1 192 ARG -6.96 -1.38 1 193 VAL 1.00 -0.61 1 195 LEU -3.13 -2.27 1 196 PHE -5.91 -0.16 1 197 ALA -0.01 3.46 1 198 VAL 0.46 -1.90 1 200 ASP 1.56 0.82 1 203 ALA 2.28 0.42 1 205 THR 1.67 -0.71 1 206 GLU 1.78 -0.41 1 207 LEU -1.68 -1.62 1 208 THR -6.62 -1.61 1 209 PHE -4.95 -3.31 1 210 ASN -1.13 1.86 1 211 TYR 1.57 1.99 1 212 ASN 2.73 0.74 1 213 LEU 2.39 0.51 1 214 ASP -1.04 0.16 1 216 LEU -2.40 -1.08 1 218 ASN -0.44 0.49 1 219 GLU 3.75 0.25 1 220 LYS 1.73 -0.28 1 221 THR 1.55 -1.12 1 222 VAL 1.47 -1.17 1 224 ARG -0.49 1.38 1 229 ASN 0.20 -0.91 1 231 SER 1.31 1.19 1 233 PHE -4.72 -1.97 1 234 LEU 1.41 -2.13 1 stop_ save_