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 bmr19207_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -5.99 _LACS_plot.Line_1_terminator_val_y_1 -3.22 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.35 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.88 _LACS_plot.Line_2_terminator_val_x_2 8.71 _LACS_plot.Line_2_terminator_val_y_2 5.50 _LACS_plot.Y_axis_chem_shift_offset 0.78 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 205 ASN -0.93 -4.12 0 220 TYR -5.98 -1.52 0 219 HIS 4.50 6.05 0 12 LEU -2.08 -0.31 1 13 ILE -5.87 -2.88 1 14 ASP 0.40 -2.89 1 16 ALA 4.80 2.64 1 18 ALA 3.53 2.47 1 20 ARG 5.36 2.54 1 21 ARG 5.84 2.31 1 23 MET 4.19 2.10 1 24 LEU 4.98 2.76 1 25 GLU 3.54 1.44 1 27 ILE 6.59 5.70 1 28 LYS 4.80 2.71 1 29 LEU 4.26 2.99 1 30 LEU 4.89 2.30 1 31 GLN 4.51 2.24 1 32 SER 2.83 1.91 1 33 LYS 1.99 1.29 1 34 TYR 0.85 -0.19 1 35 HIS 4.70 1.64 1 36 TYR 0.52 -1.16 1 37 LYS 2.24 -1.18 1 38 GLU 5.64 2.76 1 39 GLU 4.72 1.41 1 40 ALA 2.92 2.85 1 41 GLU 3.95 2.54 1 42 ILE 4.76 2.84 1 43 ILE 5.97 4.56 1 45 ASP 4.89 3.07 1 46 LYS 3.51 2.90 1 47 VAL 8.72 4.69 1 48 GLN 4.84 2.75 1 49 VAL 6.13 3.65 1 50 LYS 5.81 3.08 1 51 LEU 3.00 1.94 1 52 SER 2.23 1.40 1 53 LYS 1.23 -0.43 1 70 HIS 0.59 2.42 1 71 TRP 4.24 2.80 1 72 GLU 3.07 3.48 1 73 GLU 2.61 1.58 1 74 ALA 1.56 2.32 1 75 ILE 5.85 4.83 1 76 GLN 5.54 3.66 1 77 GLU 2.14 1.48 1 78 THR 4.37 3.37 1 79 LYS 0.80 -2.09 1 82 ALA -0.68 -1.48 1 83 ALA 1.95 0.03 1 84 ASN -1.15 -2.72 1 85 ARG 4.54 1.85 1 86 LYS 5.11 2.48 1 87 LEU 2.48 1.25 1 88 ALA 4.52 2.86 1 89 GLU 3.69 2.60 1 90 GLU 3.70 2.59 1 92 TYR 4.63 3.26 1 93 PHE 6.37 3.32 1 94 LEU 4.17 2.06 1 95 TRP 7.24 4.93 1 96 LYS 3.74 2.72 1 97 SER 4.49 2.46 1 98 THR 6.66 4.76 1 99 ARG 4.81 2.57 1 100 LEU 4.58 2.23 1 101 GLN 3.25 1.46 1 102 HIS 0.18 1.26 1 103 MET 2.28 -0.22 1 104 THR -3.36 -2.40 1 105 LEU -1.53 -1.85 1 106 ALA -0.68 -1.22 1 107 GLU 4.64 2.75 1 108 ASP 4.80 1.52 1 109 VAL 6.34 3.88 1 110 LYS 5.68 4.07 1 111 ALA 4.45 2.06 1 112 MET 6.49 3.28 1 113 LEU 4.79 2.44 1 114 THR 6.77 5.12 1 115 GLU 3.39 1.72 1 116 LEU 2.96 2.14 1 117 ARG 1.41 0.23 1 118 LYS 3.44 2.11 1 119 GLU -2.70 -0.41 1 120 VAL -5.13 -3.45 1 121 ARG -1.14 -1.27 1 122 LEU -5.72 -2.28 1 123 LEU -4.70 -1.92 1 124 LEU -2.27 -2.20 1 125 LEU -1.96 -2.25 1 126 THR -4.36 -4.27 1 129 ASP -0.78 -0.14 1 130 ARG 4.31 3.19 1 131 GLN 5.30 3.04 1 132 THR 5.78 3.31 1 133 GLN 3.06 1.96 1 134 ARG 5.34 3.00 1 135 GLU 3.50 2.16 1 136 LYS 3.64 3.32 1 137 ILE 5.04 3.80 1 138 GLU 3.60 2.11 1 139 ALA 3.55 2.40 1 141 ALA 3.57 0.00 1 143 GLN 7.21 4.58 1 144 SER 3.73 1.78 1 145 TYR 1.79 0.90 1 146 PHE -2.83 -0.34 1 147 ASP 2.45 3.09 1 148 ALA -3.66 -1.07 1 149 VAL -1.83 -1.14 1 150 VAL -0.77 -0.73 1 151 VAL -3.16 -2.98 1 154 GLU 0.12 -1.10 1 155 GLN -3.75 -3.83 1 156 ARG 4.25 2.62 1 157 GLU -5.99 -2.90 1 158 GLU -3.42 -3.49 1 161 ALA 1.65 0.50 1 164 ILE 5.22 2.94 1 165 PHE 6.29 4.65 1 166 TYR 4.56 0.63 1 167 TYR 5.06 3.36 1 170 ASN 3.98 2.54 1 171 LEU 3.42 2.07 1 172 LEU -2.39 -1.49 1 174 VAL -4.73 -4.19 1 175 GLN -0.04 -1.33 1 178 ASP -2.24 -0.64 1 180 VAL -4.99 -3.20 1 181 MET -4.60 -2.47 1 182 VAL -2.05 -2.52 1 184 ASP -0.52 -0.08 1 185 THR 1.39 0.50 1 186 LEU 4.05 2.36 1 187 GLU 4.66 2.70 1 188 THR 0.61 -1.54 1 189 ASP 3.94 4.70 1 191 GLN 3.35 1.60 1 194 LEU 4.92 2.12 1 195 ASN 3.52 1.42 1 196 ALA -1.71 -1.82 1 198 LEU 3.05 -0.96 1 199 LYS 4.94 2.54 1 200 ALA -5.00 -2.41 1 201 THR -4.28 -2.71 1 202 VAL -1.39 -1.84 1 203 TRP -4.76 -4.14 1 204 ILE 0.84 -2.68 1 206 LYS 3.73 2.39 1 207 ASN 0.03 -0.76 1 209 ILE 0.91 -0.25 1 210 VAL 0.94 -0.42 1 217 VAL -2.55 -3.80 1 221 MET -4.00 -1.29 1 222 VAL -5.03 -3.95 1 223 SER 1.30 0.77 1 224 SER -3.52 -2.62 1 225 VAL 3.81 1.70 1 226 LEU 4.17 0.74 1 227 GLU 0.29 0.00 1 228 LEU 7.31 4.49 1 230 ALA 3.74 1.67 1 231 LEU 3.28 1.83 1 232 LEU 5.06 2.26 1 233 GLN 4.74 2.40 1 234 SER 3.42 2.10 1 235 ILE 4.63 3.10 1 236 ASP 1.10 1.32 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19207_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -5.99 _LACS_plot.Line_1_terminator_val_y_1 2.77 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -2.35 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.12 _LACS_plot.Line_2_terminator_val_x_2 8.71 _LACS_plot.Line_2_terminator_val_y_2 -3.21 _LACS_plot.Y_axis_chem_shift_offset 0.78 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 205 ASN -0.93 -3.19 0 220 TYR -5.98 4.46 0 219 HIS 4.50 1.55 0 12 LEU -2.08 1.77 1 13 ILE -5.87 2.99 1 14 ASP 0.40 -3.29 1 16 ALA 4.80 -2.16 1 18 ALA 3.53 -1.06 1 20 ARG 5.36 -2.82 1 21 ARG 5.84 -3.53 1 23 MET 4.19 -2.09 1 24 LEU 4.98 -2.22 1 25 GLU 3.54 -2.10 1 27 ILE 6.59 -0.89 1 28 LYS 4.80 -2.09 1 29 LEU 4.26 -1.27 1 30 LEU 4.89 -2.59 1 31 GLN 4.51 -2.27 1 32 SER 2.83 -0.92 1 33 LYS 1.99 -0.70 1 34 TYR 0.85 -1.04 1 35 HIS 4.70 -3.06 1 36 TYR 0.52 -1.68 1 37 LYS 2.24 -3.42 1 38 GLU 5.64 -2.88 1 39 GLU 4.72 -3.31 1 40 ALA 2.92 -0.07 1 41 GLU 3.95 -1.41 1 42 ILE 4.76 -1.92 1 43 ILE 5.97 -1.41 1 45 ASP 4.89 -1.82 1 46 LYS 3.51 -0.61 1 47 VAL 8.72 -4.03 1 48 GLN 4.84 -2.09 1 49 VAL 6.13 -2.48 1 50 LYS 5.81 -2.73 1 51 LEU 3.00 -1.06 1 52 SER 2.23 -0.83 1 53 LYS 1.23 -1.66 1 70 HIS 0.59 1.83 1 71 TRP 4.24 -1.44 1 72 GLU 3.07 0.41 1 73 GLU 2.61 -1.03 1 74 ALA 1.56 0.76 1 75 ILE 5.85 -1.02 1 76 GLN 5.54 -1.88 1 77 GLU 2.14 -0.66 1 78 THR 4.37 -1.00 1 79 LYS 0.80 -2.89 1 82 ALA -0.68 -0.80 1 83 ALA 1.95 -1.92 1 84 ASN -1.15 -1.57 1 85 ARG 4.54 -2.69 1 86 LYS 5.11 -2.63 1 87 LEU 2.48 -1.23 1 88 ALA 4.52 -1.66 1 89 GLU 3.69 -1.09 1 90 GLU 3.70 -1.11 1 92 TYR 4.63 -1.37 1 93 PHE 6.37 -3.05 1 94 LEU 4.17 -2.11 1 95 TRP 7.24 -2.31 1 96 LYS 3.74 -1.02 1 97 SER 4.49 -2.03 1 98 THR 6.66 -1.90 1 99 ARG 4.81 -2.24 1 100 LEU 4.58 -2.35 1 101 GLN 3.25 -1.79 1 102 HIS 0.18 1.08 1 103 MET 2.28 -2.50 1 104 THR -3.36 0.96 1 105 LEU -1.53 -0.32 1 106 ALA -0.68 -0.54 1 107 GLU 4.64 -1.89 1 108 ASP 4.80 -3.28 1 109 VAL 6.34 -2.46 1 110 LYS 5.68 -1.61 1 111 ALA 4.45 -2.39 1 112 MET 6.49 -3.21 1 113 LEU 4.79 -2.35 1 114 THR 6.77 -1.65 1 115 GLU 3.39 -1.67 1 116 LEU 2.96 -0.82 1 117 ARG 1.41 -1.18 1 118 LYS 3.44 -1.33 1 119 GLU -2.70 2.29 1 120 VAL -5.13 1.68 1 121 ARG -1.14 -0.13 1 122 LEU -5.72 3.44 1 123 LEU -4.70 2.78 1 124 LEU -2.27 0.07 1 125 LEU -1.96 -0.29 1 126 THR -4.36 0.09 1 129 ASP -0.78 0.64 1 130 ARG 4.31 -1.12 1 131 GLN 5.30 -2.26 1 132 THR 5.78 -2.47 1 133 GLN 3.06 -1.10 1 134 ARG 5.34 -2.34 1 135 GLU 3.50 -1.34 1 136 LYS 3.64 -0.32 1 137 ILE 5.04 -1.24 1 138 GLU 3.60 -1.49 1 139 ALA 3.55 -1.15 1 141 ALA 3.57 -3.57 1 143 GLN 7.21 -2.63 1 144 SER 3.73 -1.95 1 145 TYR 1.79 -0.89 1 146 PHE -2.83 2.49 1 147 ASP 2.45 0.64 1 148 ALA -3.66 2.59 1 149 VAL -1.83 0.69 1 150 VAL -0.77 0.04 1 151 VAL -3.16 0.18 1 154 GLU 0.12 -1.22 1 155 GLN -3.75 -0.08 1 156 ARG 4.25 -1.63 1 157 GLU -5.99 3.09 1 158 GLU -3.42 -0.07 1 161 ALA 1.65 -1.15 1 164 ILE 5.22 -2.28 1 165 PHE 6.29 -1.64 1 166 TYR 4.56 -3.93 1 167 TYR 5.06 -1.70 1 170 ASN 3.98 -1.44 1 171 LEU 3.42 -1.35 1 172 LEU -2.39 0.90 1 174 VAL -4.73 0.54 1 175 GLN -0.04 -1.29 1 178 ASP -2.24 1.60 1 180 VAL -4.99 1.79 1 181 MET -4.60 2.13 1 182 VAL -2.05 -0.47 1 184 ASP -0.52 0.44 1 185 THR 1.39 -0.89 1 186 LEU 4.05 -1.69 1 187 GLU 4.66 -1.96 1 188 THR 0.61 -2.15 1 189 ASP 3.94 0.76 1 191 GLN 3.35 -1.75 1 194 LEU 4.92 -2.80 1 195 ASN 3.52 -2.10 1 196 ALA -1.71 -0.11 1 198 LEU 3.05 -4.01 1 199 LYS 4.94 -2.40 1 200 ALA -5.00 2.59 1 201 THR -4.28 1.57 1 202 VAL -1.39 -0.45 1 203 TRP -4.76 0.62 1 204 ILE 0.84 -3.52 1 206 LYS 3.73 -1.34 1 207 ASN 0.03 -0.79 1 209 ILE 0.91 -1.16 1 210 VAL 0.94 -1.36 1 217 VAL -2.55 -1.25 1 221 MET -4.00 2.71 1 222 VAL -5.03 1.08 1 223 SER 1.30 -0.53 1 224 SER -3.52 0.90 1 225 VAL 3.81 -2.11 1 226 LEU 4.17 -3.43 1 227 GLU 0.29 -0.29 1 228 LEU 7.31 -2.82 1 230 ALA 3.74 -2.07 1 231 LEU 3.28 -1.45 1 232 LEU 5.06 -2.80 1 233 GLN 4.74 -2.34 1 234 SER 3.42 -1.32 1 235 ILE 4.63 -1.53 1 236 ASP 1.10 0.22 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19207_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -5.99 _LACS_plot.Line_1_terminator_val_y_1 -2.64 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.78 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.87 _LACS_plot.Line_2_terminator_val_x_2 8.71 _LACS_plot.Line_2_terminator_val_y_2 3.35 _LACS_plot.Y_axis_chem_shift_offset 0.08 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 124 LEU -2.27 -4.80 0 103 MET 2.28 -3.50 0 228 LEU 7.31 -1.10 0 70 HIS 0.59 4.60 0 12 LEU -2.08 -2.20 1 13 ILE -5.87 -0.60 1 14 ASP 0.40 -0.40 1 16 ALA 4.80 3.40 1 18 ALA 3.53 2.00 1 20 ARG 5.36 2.50 1 21 ARG 5.84 3.40 1 23 MET 4.19 2.00 1 24 LEU 4.98 3.00 1 25 GLU 3.54 2.70 1 27 ILE 6.59 1.10 1 28 LYS 4.80 3.10 1 29 LEU 4.26 1.30 1 30 LEU 4.89 2.50 1 31 GLN 4.51 2.30 1 32 SER 2.83 0.30 1 33 LYS 1.99 0.60 1 34 TYR 0.85 -0.80 1 35 HIS 4.70 1.20 1 36 TYR 0.52 0.30 1 37 LYS 2.24 2.00 1 38 GLU 5.64 0.90 1 39 GLU 4.72 1.20 1 40 ALA 2.92 0.50 1 41 GLU 3.95 1.60 1 42 ILE 4.76 2.40 1 43 ILE 5.97 0.60 1 45 ASP 4.89 2.70 1 46 LYS 3.51 3.70 1 47 VAL 8.72 0.40 1 48 GLN 4.84 2.80 1 49 VAL 6.13 3.20 1 50 LYS 5.81 2.80 1 51 LEU 3.00 1.30 1 52 SER 2.23 0.10 1 53 LYS 1.23 0.00 1 71 TRP 4.24 1.20 1 72 GLU 3.07 2.90 1 73 GLU 2.61 1.40 1 74 ALA 1.56 2.90 1 75 ILE 5.85 1.30 1 76 GLN 5.54 3.60 1 77 GLU 2.14 1.30 1 78 THR 4.37 0.60 1 79 LYS 0.80 1.40 1 82 ALA -0.68 0.50 1 83 ALA 1.95 -0.30 1 84 ASN -1.15 -1.00 1 85 ARG 4.54 1.50 1 86 LYS 5.11 3.30 1 87 LEU 2.48 0.70 1 88 ALA 4.52 1.00 1 89 GLU 3.69 0.90 1 90 GLU 3.70 3.50 1 92 TYR 4.63 1.20 1 93 PHE 6.37 3.20 1 94 LEU 4.17 1.50 1 95 TRP 7.24 0.80 1 96 LYS 3.74 1.40 1 97 SER 4.49 3.40 1 98 THR 6.66 1.60 1 99 ARG 4.81 1.80 1 100 LEU 4.58 1.90 1 101 GLN 3.25 0.50 1 102 HIS 0.18 0.30 1 104 THR -3.36 -0.80 1 105 LEU -1.53 -1.50 1 106 ALA -0.68 0.80 1 107 GLU 4.64 2.60 1 108 ASP 4.80 2.90 1 109 VAL 6.34 1.00 1 110 LYS 5.68 2.50 1 111 ALA 4.45 1.90 1 112 MET 6.49 2.40 1 113 LEU 4.79 3.00 1 114 THR 6.77 1.50 1 115 GLU 3.39 3.70 1 116 LEU 2.96 1.20 1 117 ARG 1.41 0.30 1 118 LYS 3.44 1.30 1 119 GLU -2.70 -0.60 1 120 VAL -5.13 -2.40 1 121 ARG -1.14 -0.10 1 122 LEU -5.72 -1.40 1 123 LEU -4.70 -4.90 1 125 LEU -1.96 -3.40 1 129 ASP -0.78 -0.40 1 130 ARG 4.31 0.20 1 131 GLN 5.30 2.40 1 132 THR 5.78 3.10 1 133 GLN 3.06 3.00 1 134 ARG 5.34 3.20 1 135 GLU 3.50 3.80 1 136 LYS 3.64 1.90 1 137 ILE 5.04 2.00 1 138 GLU 3.60 2.80 1 139 ALA 3.55 1.30 1 141 ALA 3.57 0.50 1 143 GLN 7.21 1.60 1 144 SER 3.73 -0.20 1 145 TYR 1.79 -2.00 1 146 PHE -2.83 -1.20 1 147 ASP 2.45 -0.10 1 148 ALA -3.66 -3.20 1 149 VAL -1.83 -2.70 1 150 VAL -0.77 -3.40 1 151 VAL -3.16 1.70 1 154 GLU 0.12 -0.70 1 155 GLN -3.75 0.80 1 156 ARG 4.25 -0.60 1 157 GLU -5.99 -2.90 1 158 GLU -3.42 -1.00 1 161 ALA 1.65 1.30 1 164 ILE 5.22 0.60 1 165 PHE 6.29 2.60 1 166 TYR 4.56 2.60 1 167 TYR 5.06 1.70 1 170 ASN 3.98 2.90 1 171 LEU 3.42 1.40 1 172 LEU -2.39 -0.80 1 174 VAL -4.73 -2.00 1 175 GLN -0.04 1.60 1 178 ASP -2.24 0.80 1 180 VAL -4.99 -3.00 1 181 MET -4.60 -3.50 1 182 VAL -2.05 -1.60 1 184 ASP -0.52 2.00 1 185 THR 1.39 0.70 1 186 LEU 4.05 1.40 1 187 GLU 4.66 -0.80 1 188 THR 0.61 0.50 1 189 ASP 3.94 0.10 1 191 GLN 3.35 1.50 1 194 LEU 4.92 2.80 1 195 ASN 3.52 1.70 1 196 ALA -1.71 -1.40 1 198 LEU 3.05 -0.70 1 199 LYS 4.94 0.20 1 200 ALA -5.00 -3.30 1 201 THR -4.28 -2.00 1 202 VAL -1.39 -3.20 1 203 TRP -4.76 -1.30 1 204 ILE 0.84 -3.20 1 205 ASN -0.93 0.40 1 206 LYS 3.73 1.20 1 207 ASN 0.03 0.40 1 209 ILE 0.91 0.20 1 210 VAL 0.94 -0.30 1 217 VAL -2.55 -2.10 1 219 HIS 4.50 1.50 1 220 TYR -5.98 -2.50 1 221 MET -4.00 -1.70 1 222 VAL -5.03 -1.60 1 223 SER 1.30 -0.90 1 224 SER -3.52 0.50 1 225 VAL 3.81 -0.60 1 226 LEU 4.17 0.80 1 227 GLU 0.29 0.30 1 230 ALA 3.74 2.80 1 231 LEU 3.28 2.20 1 232 LEU 5.06 1.10 1 233 GLN 4.74 2.00 1 234 SER 3.42 1.90 1 235 ILE 4.63 0.90 1 236 ASP 1.10 0.30 1 stop_ save_