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 bmr15121_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.58 _LACS_plot.Line_1_terminator_val_y_1 -2.20 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.70 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.43 _LACS_plot.Line_2_terminator_val_x_2 7.94 _LACS_plot.Line_2_terminator_val_y_2 5.72 _LACS_plot.Y_axis_chem_shift_offset -0.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 169 HIS -6.58 -1.00 0 16 THR 3.29 5.50 0 14 GLU 4.58 3.52 1 15 VAL 5.06 3.57 1 17 ASN 4.81 3.29 1 18 GLN 5.39 3.50 1 19 PHE 3.15 2.25 1 20 LEU 4.99 3.49 1 21 LYS 4.68 3.37 1 22 GLN 4.65 3.33 1 23 LEU 1.14 0.18 1 25 LEU 0.00 -0.65 1 26 HIS 0.54 1.71 1 28 ASN 3.54 1.94 1 29 TRP -3.94 -1.94 1 30 GLN -5.15 -1.48 1 31 PHE 1.62 1.99 1 32 VAL -5.29 -2.70 1 33 ASP 0.71 1.64 1 34 VAL 1.60 -0.63 1 35 TYR 3.06 2.32 1 37 MET 0.82 0.19 1 38 ASP -0.13 0.30 1 40 GLU 3.94 2.68 1 41 LEU 3.23 1.35 1 42 LEU 4.19 2.39 1 43 SER 3.43 2.80 1 44 MET 0.94 0.58 1 45 VAL 1.57 1.05 1 49 VAL -3.55 -1.48 1 51 ALA -3.28 0.02 1 52 VAL -1.38 1.74 1 58 ILE 3.01 -0.18 1 59 THR -4.32 -2.09 1 60 GLU 4.18 3.28 1 61 LYS 4.45 3.35 1 62 TYR 4.99 4.16 1 63 GLU 2.34 1.92 1 64 VAL 5.57 4.26 1 65 PHE 5.11 3.64 1 66 ARG 5.63 3.78 1 67 THR 5.68 4.70 1 68 GLU 3.74 2.88 1 69 GLU 2.14 2.71 1 70 GLU 4.38 3.71 1 71 GLU 3.37 2.49 1 72 LYS 4.84 3.40 1 73 ILE 5.55 3.62 1 74 LYS 5.13 3.90 1 75 SER 2.12 2.21 1 76 GLN 0.62 1.13 1 78 GLN -0.82 -0.72 1 79 ASP -0.74 -0.39 1 80 VAL -1.19 -0.71 1 81 THR 1.02 -0.42 1 82 SER 2.75 2.21 1 83 SER 1.19 0.80 1 84 VAL 2.03 0.83 1 85 TYR 1.09 0.65 1 86 PHE -6.45 -2.94 1 87 MET -6.29 -1.56 1 88 LYS -1.67 -2.17 1 89 GLN -1.98 -1.31 1 98 ILE 5.51 4.91 1 100 LEU 4.76 3.53 1 101 ILE 7.94 5.88 1 102 HIS 5.23 5.69 1 103 ALA 4.20 2.71 1 104 ILE 4.16 1.58 1 105 ALA 2.18 2.84 1 106 ASN 1.17 2.03 1 107 ASN -2.35 0.58 1 108 LYS 6.27 5.14 1 109 ASP 3.19 2.02 1 110 LYS -0.48 0.09 1 111 MET -3.45 -2.10 1 112 HIS -3.25 -0.76 1 113 PHE -2.18 -0.43 1 114 GLU -1.24 -0.92 1 117 SER -0.93 -0.27 1 118 THR 4.32 3.18 1 119 LEU 2.72 2.02 1 120 LYS 4.38 3.43 1 121 LYS 4.51 3.28 1 122 PHE 4.34 4.15 1 123 LEU 5.13 2.76 1 124 GLU 3.68 2.60 1 125 GLU 1.49 1.27 1 126 SER -1.90 -0.43 1 127 VAL 5.63 4.26 1 128 SER -0.02 -0.45 1 129 MET -2.22 0.27 1 130 SER 0.49 0.32 1 132 GLU 4.48 3.54 1 133 GLU 3.12 2.59 1 134 ARG 4.32 4.08 1 135 ALA 2.92 2.78 1 136 ARG 4.17 2.77 1 137 TYR 2.71 2.60 1 138 LEU 4.87 3.14 1 139 GLU 4.06 3.62 1 140 ASN -1.02 0.05 1 141 TYR 2.59 0.56 1 142 ASP 2.93 2.65 1 143 ALA 1.75 1.23 1 144 ILE 0.64 -0.37 1 145 ARG -0.32 -0.49 1 146 VAL 1.06 0.20 1 147 THR -0.23 -0.11 1 148 HIS -0.54 1.20 1 149 GLU 0.36 0.15 1 150 THR 0.31 0.29 1 151 SER -0.03 0.17 1 152 ALA 0.50 0.20 1 153 HIS -2.10 0.84 1 157 THR 0.18 0.24 1 158 GLU -0.59 -0.35 1 159 ALA 0.15 -0.03 1 161 SER -0.30 -0.15 1 162 ILE 0.46 0.21 1 163 ASP 0.16 0.29 1 164 GLU -0.12 -0.02 1 165 LYS 0.77 0.02 1 166 VAL -0.59 -0.57 1 167 ASP -0.02 -0.20 1 168 LEU -2.46 -1.23 1 170 PHE -6.53 -1.73 1 171 ILE -5.26 -1.11 1 172 ALA -5.66 -2.10 1 173 LEU -1.97 -0.79 1 174 VAL -5.99 -3.09 1 175 HIS -2.33 -1.20 1 176 VAL -2.12 -0.15 1 177 ASP 2.30 1.19 1 179 HIS -2.68 0.05 1 180 LEU -1.51 -1.86 1 181 TYR -2.78 -0.51 1 182 GLU -4.67 -2.43 1 183 LEU 1.38 -1.24 1 184 ASP -2.45 -0.45 1 186 ARG 2.80 1.70 1 187 LYS 1.56 1.48 1 191 ILE -2.08 -2.87 1 192 ASN -0.01 -0.63 1 193 HIS 0.00 2.75 1 195 GLU -0.06 0.40 1 196 THR 0.72 -1.17 1 197 SER -5.42 -1.92 1 198 ASP 4.31 3.57 1 199 GLU 2.43 2.45 1 200 THR 0.54 -0.49 1 201 LEU 5.59 3.36 1 202 LEU 6.18 3.99 1 203 GLU 7.40 5.21 1 204 ASP 5.21 3.22 1 205 ALA 3.74 2.47 1 206 ILE 5.81 1.24 1 207 GLU 4.60 3.08 1 208 VAL 7.36 4.64 1 210 LYS 5.32 3.89 1 211 LYS 4.92 3.02 1 212 PHE 4.23 2.71 1 213 MET 3.72 3.39 1 214 GLU 2.04 1.56 1 215 ARG 2.33 1.53 1 216 ASP -1.32 -0.58 1 218 ASP 0.59 0.72 1 219 GLU -1.53 -0.61 1 220 LEU 1.45 1.47 1 221 ARG 2.80 0.29 1 222 PHE -3.56 -0.78 1 223 ASN -3.90 0.50 1 224 ALA -4.24 -2.23 1 225 ILE -4.14 -1.12 1 226 ALA -4.82 -2.30 1 227 LEU 0.95 -0.71 1 228 SER -3.58 0.41 1 229 ALA 1.20 0.31 1 230 ALA -1.65 0.27 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15121_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.58 _LACS_plot.Line_1_terminator_val_y_1 4.38 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.30 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.57 _LACS_plot.Line_2_terminator_val_x_2 7.94 _LACS_plot.Line_2_terminator_val_y_2 -2.22 _LACS_plot.Y_axis_chem_shift_offset -0.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 169 HIS -6.58 5.58 0 16 THR 3.29 2.21 0 14 GLU 4.58 -1.06 1 15 VAL 5.06 -1.49 1 17 ASN 4.81 -1.52 1 18 GLN 5.39 -1.89 1 19 PHE 3.15 -0.90 1 20 LEU 4.99 -1.50 1 21 LYS 4.68 -1.31 1 22 GLN 4.65 -1.32 1 23 LEU 1.14 -0.96 1 25 LEU 0.00 -0.65 1 26 HIS 0.54 1.17 1 28 ASN 3.54 -1.60 1 29 TRP -3.94 2.00 1 30 GLN -5.15 3.67 1 31 PHE 1.62 0.37 1 32 VAL -5.29 2.59 1 33 ASP 0.71 0.93 1 34 VAL 1.60 -2.23 1 35 TYR 3.06 -0.74 1 37 MET 0.82 -0.63 1 38 ASP -0.13 0.43 1 40 GLU 3.94 -1.26 1 41 LEU 3.23 -1.88 1 42 LEU 4.19 -1.80 1 43 SER 3.43 -0.63 1 44 MET 0.94 -0.36 1 45 VAL 1.57 -0.52 1 49 VAL -3.55 2.07 1 51 ALA -3.28 3.30 1 52 VAL -1.38 3.12 1 58 ILE 3.01 -3.19 1 59 THR -4.32 2.23 1 60 GLU 4.18 -0.90 1 61 LYS 4.45 -1.10 1 62 TYR 4.99 -0.83 1 63 GLU 2.34 -0.42 1 64 VAL 5.57 -1.31 1 65 PHE 5.11 -1.47 1 66 ARG 5.63 -1.85 1 67 THR 5.68 -0.98 1 68 GLU 3.74 -0.86 1 69 GLU 2.14 0.57 1 70 GLU 4.38 -0.67 1 71 GLU 3.37 -0.88 1 72 LYS 4.84 -1.44 1 73 ILE 5.55 -1.93 1 74 LYS 5.13 -1.23 1 75 SER 2.12 0.09 1 76 GLN 0.62 0.51 1 78 GLN -0.82 0.10 1 79 ASP -0.74 0.35 1 80 VAL -1.19 0.48 1 81 THR 1.02 -1.44 1 82 SER 2.75 -0.54 1 83 SER 1.19 -0.39 1 84 VAL 2.03 -1.20 1 85 TYR 1.09 -0.44 1 86 PHE -6.45 3.51 1 87 MET -6.29 4.73 1 88 LYS -1.67 -0.50 1 89 GLN -1.98 0.67 1 98 ILE 5.51 -0.60 1 100 LEU 4.76 -1.23 1 101 ILE 7.94 -2.06 1 102 HIS 5.23 0.46 1 103 ALA 4.20 -1.49 1 104 ILE 4.16 -2.58 1 105 ALA 2.18 0.66 1 106 ASN 1.17 0.86 1 107 ASN -2.35 2.93 1 108 LYS 6.27 -1.13 1 109 ASP 3.19 -1.17 1 110 LYS -0.48 0.57 1 111 MET -3.45 1.35 1 112 HIS -3.25 2.49 1 113 PHE -2.18 1.75 1 114 GLU -1.24 0.32 1 117 SER -0.93 0.66 1 118 THR 4.32 -1.14 1 119 LEU 2.72 -0.70 1 120 LYS 4.38 -0.95 1 121 LYS 4.51 -1.23 1 122 PHE 4.34 -0.19 1 123 LEU 5.13 -2.37 1 124 GLU 3.68 -1.08 1 125 GLU 1.49 -0.22 1 126 SER -1.90 1.47 1 127 VAL 5.63 -1.37 1 128 SER -0.02 -0.43 1 129 MET -2.22 2.49 1 130 SER 0.49 -0.17 1 132 GLU 4.48 -0.94 1 133 GLU 3.12 -0.53 1 134 ARG 4.32 -0.24 1 135 ALA 2.92 -0.14 1 136 ARG 4.17 -1.40 1 137 TYR 2.71 -0.11 1 138 LEU 4.87 -1.73 1 139 GLU 4.06 -0.44 1 140 ASN -1.02 1.07 1 141 TYR 2.59 -2.03 1 142 ASP 2.93 -0.28 1 143 ALA 1.75 -0.52 1 144 ILE 0.64 -1.01 1 145 ARG -0.32 -0.17 1 146 VAL 1.06 -0.86 1 147 THR -0.23 0.12 1 148 HIS -0.54 1.74 1 149 GLU 0.36 -0.21 1 150 THR 0.31 -0.02 1 151 SER -0.03 0.20 1 152 ALA 0.50 -0.30 1 153 HIS -2.10 2.94 1 157 THR 0.18 0.06 1 158 GLU -0.59 0.24 1 159 ALA 0.15 -0.18 1 161 SER -0.30 0.15 1 162 ILE 0.46 -0.25 1 163 ASP 0.16 0.13 1 164 GLU -0.12 0.10 1 165 LYS 0.77 -0.75 1 166 VAL -0.59 0.02 1 167 ASP -0.02 -0.18 1 168 LEU -2.46 1.23 1 170 PHE -6.53 4.80 1 171 ILE -5.26 4.15 1 172 ALA -5.66 3.56 1 173 LEU -1.97 1.18 1 174 VAL -5.99 2.90 1 175 HIS -2.33 1.13 1 176 VAL -2.12 1.97 1 177 ASP 2.30 -1.11 1 179 HIS -2.68 2.73 1 180 LEU -1.51 -0.35 1 181 TYR -2.78 2.27 1 182 GLU -4.67 2.24 1 183 LEU 1.38 -2.62 1 184 ASP -2.45 2.00 1 186 ARG 2.80 -1.10 1 187 LYS 1.56 -0.08 1 191 ILE -2.08 -0.79 1 192 ASN -0.01 -0.62 1 193 HIS 0.00 2.75 1 195 GLU -0.06 0.46 1 196 THR 0.72 -1.89 1 197 SER -5.42 3.50 1 198 ASP 4.31 -0.74 1 199 GLU 2.43 0.02 1 200 THR 0.54 -1.03 1 201 LEU 5.59 -2.23 1 202 LEU 6.18 -2.19 1 203 GLU 7.40 -2.19 1 204 ASP 5.21 -1.99 1 205 ALA 3.74 -1.27 1 206 ILE 5.81 -4.57 1 207 GLU 4.60 -1.52 1 208 VAL 7.36 -2.72 1 210 LYS 5.32 -1.43 1 211 LYS 4.92 -1.90 1 212 PHE 4.23 -1.52 1 213 MET 3.72 -0.33 1 214 GLU 2.04 -0.48 1 215 ARG 2.33 -0.80 1 216 ASP -1.32 0.74 1 218 ASP 0.59 0.13 1 219 GLU -1.53 0.92 1 220 LEU 1.45 0.02 1 221 ARG 2.80 -2.51 1 222 PHE -3.56 2.78 1 223 ASN -3.90 4.40 1 224 ALA -4.24 2.01 1 225 ILE -4.14 3.02 1 226 ALA -4.82 2.52 1 227 LEU 0.95 -1.66 1 228 SER -3.58 3.99 1 229 ALA 1.20 -0.89 1 230 ALA -1.65 1.92 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15121_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.58 _LACS_plot.Line_1_terminator_val_y_1 -2.68 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.83 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.73 _LACS_plot.Line_2_terminator_val_x_2 7.94 _LACS_plot.Line_2_terminator_val_y_2 3.02 _LACS_plot.Y_axis_chem_shift_offset -0.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 230 ALA -1.65 4.29 0 14 GLU 4.58 3.22 1 16 THR 3.29 2.09 1 17 ASN 4.81 4.37 1 18 GLN 5.39 2.85 1 19 PHE 3.15 2.06 1 20 LEU 4.99 0.96 1 21 LYS 4.68 4.93 1 22 GLN 4.65 2.56 1 23 LEU 1.14 -0.31 1 25 LEU 0.00 0.26 1 26 HIS 0.54 3.94 1 28 ASN 3.54 -1.09 1 29 TRP -3.94 -0.34 1 30 GLN -5.15 -0.64 1 31 PHE 1.62 1.31 1 32 VAL -5.29 -1.38 1 33 ASP 0.71 -1.10 1 34 VAL 1.60 -0.02 1 35 TYR 3.06 0.52 1 37 MET 0.82 -1.23 1 38 ASP -0.13 -0.03 1 40 GLU 3.94 2.39 1 41 LEU 3.23 3.07 1 42 LEU 4.19 2.80 1 43 SER 3.43 0.03 1 44 MET 0.94 0.42 1 45 VAL 1.57 -0.37 1 49 VAL -3.55 0.01 1 51 ALA -3.28 -2.82 1 52 VAL -1.38 -0.97 1 58 ILE 3.01 -0.33 1 59 THR -4.32 0.64 1 60 GLU 4.18 2.42 1 61 LYS 4.45 3.00 1 62 TYR 4.99 1.39 1 63 GLU 2.34 3.17 1 64 VAL 5.57 2.41 1 65 PHE 5.11 1.62 1 66 ARG 5.63 2.95 1 67 THR 5.68 1.65 1 68 GLU 3.74 2.44 1 69 GLU 2.14 1.17 1 70 GLU 4.38 2.00 1 71 GLU 3.37 2.79 1 72 LYS 4.84 2.43 1 73 ILE 5.55 3.26 1 74 LYS 5.13 1.86 1 75 SER 2.12 1.23 1 76 GLN 0.62 1.50 1 78 GLN -0.82 -2.16 1 79 ASP -0.74 -0.76 1 80 VAL -1.19 -0.47 1 81 THR 1.02 0.66 1 82 SER 2.75 0.54 1 83 SER 1.19 0.42 1 84 VAL 2.03 -1.63 1 85 TYR 1.09 -2.23 1 86 PHE -6.45 -3.50 1 87 MET -6.29 -5.17 1 88 LYS -1.67 -2.43 1 89 GLN -1.98 0.12 1 98 ILE 5.51 0.42 1 100 LEU 4.76 1.09 1 101 ILE 7.94 1.79 1 102 HIS 5.23 4.76 1 103 ALA 4.20 -0.21 1 104 ILE 4.16 2.74 1 105 ALA 2.18 1.91 1 106 ASN 1.17 -3.05 1 107 ASN -2.35 0.92 1 108 LYS 6.27 0.90 1 109 ASP 3.19 0.70 1 110 LYS -0.48 0.43 1 111 MET -3.45 -1.25 1 112 HIS -3.25 -0.58 1 113 PHE -2.18 0.97 1 114 GLU -1.24 1.52 1 117 SER -0.93 2.70 1 118 THR 4.32 2.66 1 119 LEU 2.72 -0.57 1 120 LYS 4.38 0.92 1 121 LYS 4.51 0.84 1 122 PHE 4.34 3.99 1 123 LEU 5.13 1.21 1 124 GLU 3.68 3.46 1 125 GLU 1.49 1.45 1 126 SER -1.90 2.66 1 127 VAL 5.63 -0.53 1 128 SER -0.02 -0.55 1 129 MET -2.22 -1.11 1 130 SER 0.49 0.51 1 132 GLU 4.48 2.45 1 133 GLU 3.12 3.51 1 134 ARG 4.32 1.15 1 135 ALA 2.92 1.88 1 136 ARG 4.17 2.43 1 137 TYR 2.71 2.93 1 138 LEU 4.87 1.37 1 139 GLU 4.06 0.96 1 140 ASN -1.02 -0.95 1 141 TYR 2.59 -0.28 1 142 ASP 2.93 0.38 1 143 ALA 1.75 0.41 1 144 ILE 0.64 -1.83 1 145 ARG -0.32 -0.87 1 146 VAL 1.06 -0.14 1 147 THR -0.23 -0.57 1 148 HIS -0.54 0.71 1 149 GLU 0.36 0.03 1 150 THR 0.31 -0.23 1 151 SER -0.03 -0.27 1 152 ALA 0.50 -0.26 1 153 HIS -2.10 1.00 1 157 THR 0.18 -0.29 1 158 GLU -0.59 -0.86 1 159 ALA 0.15 -0.48 1 161 SER -0.30 0.25 1 162 ILE 0.46 -0.50 1 163 ASP 0.16 -0.19 1 164 GLU -0.12 -0.41 1 165 LYS 0.77 -0.45 1 166 VAL -0.59 -1.16 1 167 ASP -0.02 -1.72 1 168 LEU -2.46 -2.96 1 169 HIS -6.58 -1.42 1 171 ILE -5.26 -2.72 1 172 ALA -5.66 -2.20 1 173 LEU -1.97 -1.28 1 174 VAL -5.99 -3.54 1 175 HIS -2.33 0.75 1 176 VAL -2.12 -0.42 1 177 ASP 2.30 -0.39 1 179 HIS -2.68 -2.75 1 180 LEU -1.51 -3.12 1 181 TYR -2.78 -0.50 1 182 GLU -4.67 -0.65 1 183 LEU 1.38 -3.38 1 184 ASP -2.45 1.52 1 186 ARG 2.80 1.29 1 187 LYS 1.56 0.59 1 191 ILE -2.08 -0.82 1 192 ASN -0.01 0.87 1 193 HIS 0.00 1.25 1 195 GLU -0.06 0.36 1 196 THR 0.72 -3.20 1 197 SER -5.42 -1.43 1 198 ASP 4.31 2.10 1 199 GLU 2.43 1.79 1 200 THR 0.54 -1.01 1 201 LEU 5.59 0.63 1 202 LEU 6.18 -0.29 1 203 GLU 7.40 3.17 1 204 ASP 5.21 3.04 1 205 ALA 3.74 2.77 1 206 ILE 5.81 1.64 1 207 GLU 4.60 3.10 1 208 VAL 7.36 1.74 1 210 LYS 5.32 2.48 1 211 LYS 4.92 3.07 1 212 PHE 4.23 3.04 1 213 MET 3.72 2.23 1 214 GLU 2.04 1.38 1 215 ARG 2.33 -0.48 1 216 ASP -1.32 -1.49 1 218 ASP 0.59 -0.28 1 219 GLU -1.53 -1.19 1 220 LEU 1.45 1.74 1 221 ARG 2.80 -2.73 1 222 PHE -3.56 0.28 1 223 ASN -3.90 -3.14 1 224 ALA -4.24 -1.70 1 225 ILE -4.14 -2.36 1 226 ALA -4.82 -2.83 1 227 LEU 0.95 -4.14 1 228 SER -3.58 -0.82 1 229 ALA 1.20 -1.12 1 stop_ save_