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 bmr25367_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -2.53 _LACS_plot.Line_1_terminator_val_y_1 -1.92 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.43 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.70 _LACS_plot.Line_2_terminator_val_x_2 9.73 _LACS_plot.Line_2_terminator_val_y_2 6.19 _LACS_plot.Y_axis_chem_shift_offset 0.48 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 131 GLN 0.52 -2.81 0 192 HIS 1.99 4.15 0 19 GLN 1.70 1.26 1 20 GLN -1.75 0.52 1 21 LEU 1.23 -0.06 1 24 ASP 1.39 0.31 1 28 GLU 3.26 2.05 1 29 GLN 4.42 2.32 1 31 SER 4.50 2.76 1 43 ASP 0.71 0.30 1 50 ALA 1.80 0.97 1 51 VAL 6.57 4.40 1 52 ILE 1.86 0.39 1 53 ASP 4.39 2.49 1 56 ALA -1.53 -1.80 1 59 ALA 2.56 1.61 1 60 LEU 3.61 2.42 1 61 VAL 6.78 3.94 1 62 GLN 4.72 2.50 1 63 LEU 3.99 1.20 1 64 LEU 4.06 0.64 1 65 SER -0.02 -0.85 1 66 SER -2.53 -1.87 1 68 ASN -0.75 -0.50 1 69 GLU 3.78 2.69 1 70 GLN 5.36 3.24 1 72 LEU 3.45 3.24 1 73 GLN 5.14 3.73 1 74 GLU 3.25 1.88 1 75 ALA 4.26 2.42 1 76 LEU 3.25 2.37 1 78 ALA 5.15 2.83 1 79 LEU 3.71 2.56 1 82 ILE 5.04 3.38 1 83 ALA 3.04 1.27 1 84 SER 2.21 1.13 1 88 GLU 4.70 2.68 1 91 GLN 4.43 2.08 1 92 ALA 4.73 2.15 1 93 VAL 6.48 4.29 1 94 ILE 6.01 4.08 1 95 ASP 4.53 2.50 1 96 ALA 0.46 -0.73 1 98 ALA 1.70 2.02 1 99 LEU 9.52 4.81 1 101 ALA 2.27 1.60 1 102 LEU 3.55 2.38 1 103 VAL 6.95 4.22 1 104 GLN 4.74 2.63 1 105 LEU 3.13 1.17 1 106 LEU 3.73 0.52 1 107 SER 0.24 -0.56 1 108 SER -2.32 -1.87 1 110 ASN 0.00 -0.75 1 111 GLU 3.39 2.57 1 112 GLN 4.74 2.89 1 113 ILE 5.76 2.57 1 114 LEU 3.15 2.85 1 115 GLN 5.55 3.61 1 116 TYR 3.74 2.22 1 117 ALA 4.75 2.56 1 118 LEU 3.46 2.43 1 119 ILE 5.73 4.04 1 120 ALA 5.13 2.94 1 121 LEU 3.86 2.70 1 124 ILE 4.29 2.85 1 129 ASN 5.48 4.74 1 130 GLU 4.72 2.54 1 133 GLN 4.76 2.11 1 134 ALA 4.60 2.15 1 135 VAL 6.67 4.49 1 136 ILE 6.09 4.22 1 137 ASP 4.41 2.51 1 138 ALA 0.48 -0.74 1 140 ALA 1.83 1.97 1 141 LEU 9.73 5.16 1 143 ALA 2.28 1.47 1 144 LEU 3.30 2.01 1 145 VAL 7.14 4.41 1 146 GLN 4.58 2.36 1 147 LEU 3.17 1.17 1 148 LEU 2.92 0.64 1 149 SER 0.39 -0.41 1 150 SER -2.42 -1.84 1 152 ASN -0.23 -0.36 1 154 GLN 5.14 2.91 1 155 ILE 5.68 2.98 1 156 LEU 3.92 2.95 1 157 GLN 4.88 3.74 1 158 GLU 2.29 1.47 1 160 LEU 5.06 3.10 1 162 ALA 4.07 2.71 1 163 LEU 3.10 2.29 1 164 THR 7.06 4.75 1 165 ASN 4.50 3.32 1 166 ILE 5.59 4.20 1 167 ALA 2.31 1.33 1 168 MET 1.46 0.10 1 169 GLU 1.33 0.65 1 172 GLU 4.85 2.67 1 173 GLN 7.32 4.13 1 174 LYS 5.91 3.93 1 175 GLN 5.14 2.36 1 176 ALA 4.60 2.15 1 177 VAL 6.79 4.47 1 178 LYS 5.62 3.51 1 179 GLU 3.44 1.80 1 180 ALA 0.72 -0.63 1 182 ALA 1.90 2.18 1 183 LEU 7.32 3.99 1 184 GLU 4.29 2.53 1 185 LYS 1.94 0.79 1 186 LEU 4.13 2.56 1 187 GLU 3.90 2.42 1 188 GLN 4.04 2.08 1 189 LEU 1.83 0.82 1 190 GLN 3.64 2.37 1 191 SER -0.54 -1.57 1 193 GLU 2.80 1.47 1 194 ASN -0.05 -0.09 1 195 GLU 3.73 2.50 1 196 LYS 4.68 2.69 1 197 ILE 5.59 1.60 1 198 GLN 5.21 3.47 1 199 LYS 4.10 2.41 1 200 GLU 3.46 2.01 1 201 ALA 3.80 2.29 1 202 GLN 5.18 3.20 1 203 GLU 3.60 2.22 1 204 ALA 4.06 2.29 1 205 LEU 4.40 2.80 1 206 GLU 3.81 2.29 1 207 LYS 3.73 1.86 1 208 LEU 2.07 1.05 1 209 GLN 0.62 -0.10 1 210 SER 0.29 -0.12 1 211 HIS 1.08 2.25 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25367_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -2.53 _LACS_plot.Line_1_terminator_val_y_1 0.61 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -1.56 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.30 _LACS_plot.Line_2_terminator_val_x_2 9.73 _LACS_plot.Line_2_terminator_val_y_2 -3.54 _LACS_plot.Y_axis_chem_shift_offset 0.48 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 131 GLN 0.52 -3.33 0 192 HIS 1.99 2.16 0 19 GLN 1.70 -0.44 1 20 GLN -1.75 2.27 1 21 LEU 1.23 -1.29 1 24 ASP 1.39 -1.08 1 28 GLU 3.26 -1.21 1 29 GLN 4.42 -2.10 1 31 SER 4.50 -1.74 1 43 ASP 0.71 -0.41 1 50 ALA 1.80 -0.83 1 51 VAL 6.57 -2.17 1 52 ILE 1.86 -1.47 1 53 ASP 4.39 -1.90 1 56 ALA -1.53 -0.27 1 59 ALA 2.56 -0.95 1 60 LEU 3.61 -1.19 1 61 VAL 6.78 -2.84 1 62 GLN 4.72 -2.22 1 63 LEU 3.99 -2.79 1 64 LEU 4.06 -3.42 1 65 SER -0.02 -0.83 1 66 SER -2.53 0.66 1 68 ASN -0.75 0.25 1 69 GLU 3.78 -1.09 1 70 GLN 5.36 -2.12 1 72 LEU 3.45 -0.21 1 73 GLN 5.14 -1.41 1 74 GLU 3.25 -1.37 1 75 ALA 4.26 -1.84 1 76 LEU 3.25 -0.88 1 78 ALA 5.15 -2.32 1 79 LEU 3.71 -1.15 1 82 ILE 5.04 -1.66 1 83 ALA 3.04 -1.77 1 84 SER 2.21 -1.08 1 88 GLU 4.70 -2.02 1 91 GLN 4.43 -2.35 1 92 ALA 4.73 -2.58 1 93 VAL 6.48 -2.19 1 94 ILE 6.01 -1.93 1 95 ASP 4.53 -2.03 1 96 ALA 0.46 -1.19 1 98 ALA 1.70 0.32 1 99 LEU 9.52 -4.71 1 101 ALA 2.27 -0.67 1 102 LEU 3.55 -1.17 1 103 VAL 6.95 -2.73 1 104 GLN 4.74 -2.11 1 105 LEU 3.13 -1.96 1 106 LEU 3.73 -3.21 1 107 SER 0.24 -0.80 1 108 SER -2.32 0.45 1 110 ASN 0.00 -0.75 1 111 GLU 3.39 -0.82 1 112 GLN 4.74 -1.85 1 113 ILE 5.76 -3.19 1 114 LEU 3.15 -0.30 1 115 GLN 5.55 -1.94 1 116 TYR 3.74 -1.52 1 117 ALA 4.75 -2.19 1 118 LEU 3.46 -1.03 1 119 ILE 5.73 -1.69 1 120 ALA 5.13 -2.19 1 121 LEU 3.86 -1.16 1 124 ILE 4.29 -1.44 1 129 ASN 5.48 -0.74 1 130 GLU 4.72 -2.18 1 133 GLN 4.76 -2.65 1 134 ALA 4.60 -2.45 1 135 VAL 6.67 -2.18 1 136 ILE 6.09 -1.87 1 137 ASP 4.41 -1.90 1 138 ALA 0.48 -1.22 1 140 ALA 1.83 0.14 1 141 LEU 9.73 -4.57 1 143 ALA 2.28 -0.81 1 144 LEU 3.30 -1.29 1 145 VAL 7.14 -2.73 1 146 GLN 4.58 -2.22 1 147 LEU 3.17 -2.00 1 148 LEU 2.92 -2.28 1 149 SER 0.39 -0.80 1 150 SER -2.42 0.58 1 152 ASN -0.23 -0.13 1 154 GLN 5.14 -2.23 1 155 ILE 5.68 -2.70 1 156 LEU 3.92 -0.97 1 157 GLN 4.88 -1.14 1 158 GLU 2.29 -0.82 1 160 LEU 5.06 -1.96 1 162 ALA 4.07 -1.36 1 163 LEU 3.10 -0.81 1 164 THR 7.06 -2.31 1 165 ASN 4.50 -1.18 1 166 ILE 5.59 -1.39 1 167 ALA 2.31 -0.98 1 168 MET 1.46 -1.36 1 169 GLU 1.33 -0.68 1 172 GLU 4.85 -2.18 1 173 GLN 7.32 -3.19 1 174 LYS 5.91 -1.98 1 175 GLN 5.14 -2.78 1 176 ALA 4.60 -2.45 1 177 VAL 6.79 -2.32 1 178 LYS 5.62 -2.11 1 179 GLU 3.44 -1.64 1 180 ALA 0.72 -1.35 1 182 ALA 1.90 0.28 1 183 LEU 7.32 -3.33 1 184 GLU 4.29 -1.76 1 185 LYS 1.94 -1.15 1 186 LEU 4.13 -1.57 1 187 GLU 3.90 -1.48 1 188 GLN 4.04 -1.96 1 189 LEU 1.83 -1.01 1 190 GLN 3.64 -1.27 1 191 SER -0.54 -1.03 1 193 GLU 2.80 -1.33 1 194 ASN -0.05 -0.04 1 195 GLU 3.73 -1.23 1 196 LYS 4.68 -1.99 1 197 ILE 5.59 -3.99 1 198 GLN 5.21 -1.74 1 199 LYS 4.10 -1.69 1 200 GLU 3.46 -1.45 1 201 ALA 3.80 -1.51 1 202 GLN 5.18 -1.98 1 203 GLU 3.60 -1.38 1 204 ALA 4.06 -1.77 1 205 LEU 4.40 -1.60 1 206 GLU 3.81 -1.52 1 207 LYS 3.73 -1.87 1 208 LEU 2.07 -1.02 1 209 GLN 0.62 -0.72 1 210 SER 0.29 -0.41 1 211 HIS 1.08 1.17 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25367_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -2.53 _LACS_plot.Line_1_terminator_val_y_1 -0.75 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.84 _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 9.73 _LACS_plot.Line_2_terminator_val_y_2 3.44 _LACS_plot.Y_axis_chem_shift_offset -0.16 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 99 LEU 9.52 -1.96 0 141 LEU 9.73 -2.13 0 19 GLN 1.70 1.16 1 20 GLN -1.75 0.87 1 21 LEU 1.23 -0.14 1 24 ASP 1.39 -0.63 1 28 GLU 3.26 2.21 1 29 GLN 4.42 1.28 1 31 SER 4.50 0.75 1 43 ASP 0.71 0.49 1 50 ALA 1.80 0.20 1 51 VAL 6.57 1.05 1 53 ASP 4.39 0.69 1 56 ALA -1.53 0.30 1 59 ALA 2.56 1.83 1 60 LEU 3.61 0.79 1 61 VAL 6.78 3.57 1 62 GLN 4.72 2.81 1 63 LEU 3.99 0.24 1 64 LEU 4.06 -0.62 1 65 SER -0.02 -0.31 1 66 SER -2.53 0.24 1 68 ASN -0.75 -0.50 1 69 GLU 3.78 1.21 1 70 GLN 5.36 2.22 1 72 LEU 3.45 1.25 1 73 GLN 5.14 1.75 1 74 GLU 3.25 2.73 1 75 ALA 4.26 1.83 1 76 LEU 3.25 1.73 1 78 ALA 5.15 1.48 1 79 LEU 3.71 1.15 1 82 ILE 5.04 1.17 1 88 GLU 4.70 2.50 1 91 GLN 4.43 1.12 1 92 ALA 4.73 2.67 1 93 VAL 6.48 1.08 1 94 ILE 6.01 4.78 1 95 ASP 4.53 0.70 1 96 ALA 0.46 -1.04 1 98 ALA 1.70 0.72 1 101 ALA 2.27 2.01 1 102 LEU 3.55 0.86 1 103 VAL 6.95 3.53 1 104 GLN 4.74 2.88 1 105 LEU 3.13 -0.01 1 106 LEU 3.73 -0.78 1 107 SER 0.24 -0.42 1 108 SER -2.32 0.05 1 110 ASN 0.00 -0.03 1 111 GLU 3.39 1.51 1 112 GLN 4.74 1.80 1 113 ILE 5.76 0.88 1 114 LEU 3.15 1.10 1 115 GLN 5.55 1.93 1 116 TYR 3.74 2.56 1 117 ALA 4.75 1.07 1 118 LEU 3.46 0.81 1 119 ILE 5.73 2.26 1 120 ALA 5.13 1.19 1 121 LEU 3.86 1.39 1 124 ILE 4.29 0.06 1 129 ASN 5.48 2.21 1 130 GLU 4.72 2.15 1 131 GLN 0.52 1.75 1 133 GLN 4.76 1.29 1 134 ALA 4.60 2.71 1 135 VAL 6.67 1.13 1 136 ILE 6.09 4.82 1 137 ASP 4.41 0.70 1 138 ALA 0.48 -0.87 1 140 ALA 1.83 0.72 1 143 ALA 2.28 2.21 1 144 LEU 3.30 0.86 1 145 VAL 7.14 2.92 1 146 GLN 4.58 2.87 1 147 LEU 3.17 0.21 1 148 LEU 2.92 -0.72 1 149 SER 0.39 -0.43 1 150 SER -2.42 0.34 1 152 ASN -0.23 0.27 1 154 GLN 5.14 2.72 1 155 ILE 5.68 3.17 1 156 LEU 3.92 0.92 1 157 GLN 4.88 2.54 1 158 GLU 2.29 2.97 1 160 LEU 5.06 2.10 1 162 ALA 4.07 2.94 1 163 LEU 3.10 0.91 1 165 ASN 4.50 2.31 1 166 ILE 5.59 0.48 1 167 ALA 2.31 0.13 1 168 MET 1.46 1.04 1 169 GLU 1.33 0.10 1 172 GLU 4.85 2.62 1 173 GLN 7.32 1.75 1 174 LYS 5.91 2.09 1 175 GLN 5.14 1.87 1 176 ALA 4.60 3.05 1 177 VAL 6.79 1.40 1 178 LYS 5.62 4.78 1 179 GLU 3.44 0.74 1 180 ALA 0.72 -0.68 1 182 ALA 1.90 0.82 1 183 LEU 7.32 1.21 1 184 GLU 4.29 2.74 1 185 LYS 1.94 2.85 1 186 LEU 4.13 1.62 1 187 GLU 3.90 3.55 1 188 GLN 4.04 2.63 1 189 LEU 1.83 -0.13 1 190 GLN 3.64 -0.24 1 191 SER -0.54 -0.66 1 192 HIS 1.99 0.59 1 193 GLU 2.80 0.27 1 194 ASN -0.05 0.66 1 195 GLU 3.73 1.27 1 196 LYS 4.68 2.27 1 197 ILE 5.59 0.94 1 198 GLN 5.21 2.93 1 199 LYS 4.10 2.74 1 200 GLU 3.46 3.36 1 201 ALA 3.80 1.18 1 202 GLN 5.18 2.69 1 203 GLU 3.60 2.27 1 204 ALA 4.06 1.39 1 205 LEU 4.40 1.38 1 206 GLU 3.81 3.32 1 207 LYS 3.73 2.15 1 208 LEU 2.07 -0.38 1 209 GLN 0.62 0.05 1 210 SER 0.29 -1.10 1 211 HIS 1.08 5.64 1 stop_ save_