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 bmr11494_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.10 _LACS_plot.Line_1_terminator_val_y_1 -1.99 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.42 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.55 _LACS_plot.Line_2_terminator_val_x_2 8.78 _LACS_plot.Line_2_terminator_val_y_2 5.97 _LACS_plot.Y_axis_chem_shift_offset 0.17 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 211 ARG 3.82 -4.81 0 10 LYS 4.45 3.32 1 11 LYS 5.77 4.53 1 12 GLU 4.32 1.99 1 13 ILE 6.40 4.84 1 14 ALA 3.43 2.63 1 15 MET 4.70 0.89 1 16 GLU 0.68 3.15 1 20 SER 7.70 4.33 1 21 ALA -0.05 0.66 1 22 ALA 1.21 2.00 1 23 ASN -2.78 -0.71 1 24 SER 4.07 1.58 1 25 SER -2.85 -1.98 1 26 LEU 2.73 0.72 1 27 ASP 0.87 -2.02 1 28 TRP 2.22 0.89 1 29 LYS 4.48 1.89 1 30 ALA 2.81 1.29 1 31 GLN -1.16 -0.91 1 32 TYR 6.20 5.03 1 33 LYS -0.58 -0.37 1 34 TYR 0.43 0.39 1 35 ILE -0.07 -1.63 1 36 GLU -4.02 -1.08 1 37 ASP -0.35 -1.33 1 38 ILE 1.76 0.76 1 40 ASP -0.38 -1.21 1 42 ARG 0.55 0.44 1 44 TYR 1.23 2.08 1 45 THR -0.91 -0.62 1 60 GLU 4.09 3.00 1 62 VAL 6.97 5.39 1 63 GLN 5.37 3.95 1 64 HIS 4.83 3.70 1 65 TYR 0.26 -0.51 1 66 THR 5.48 3.92 1 67 ASP 4.15 2.72 1 68 LEU 1.09 1.53 1 69 GLU -2.41 -1.67 1 72 ASN 0.03 0.64 1 74 LEU -1.18 -1.11 1 75 ALA 3.74 2.71 1 76 LYS 3.41 0.96 1 77 TYR 2.41 1.12 1 83 LYS 3.11 2.90 1 84 VAL 0.45 0.16 1 85 ASN 2.91 1.71 1 87 SER -6.10 -1.20 1 88 ALA -0.87 -1.98 1 89 SER 0.10 0.30 1 90 HIS -3.56 -2.95 1 91 SER 3.61 2.54 1 93 LEU 1.20 -1.19 1 95 THR 7.89 5.37 1 97 PHE 2.92 2.52 1 98 THR 6.07 3.48 1 99 LYS 4.34 3.31 1 100 ASP 4.57 3.46 1 101 TRP 6.50 4.00 1 102 ALA 4.55 3.01 1 103 THR 6.52 4.70 1 104 ALA 4.73 2.32 1 105 ALA 3.93 1.93 1 106 LYS 4.11 3.29 1 107 ASP -1.17 -1.73 1 108 THR 5.36 3.73 1 112 GLN 4.37 2.73 1 113 ALA 4.97 2.69 1 114 GLN 6.01 5.23 1 115 ASN 4.48 2.69 1 116 ASP 3.65 2.69 1 126 ALA 4.30 3.06 1 127 VAL 7.01 5.50 1 128 SER 8.32 3.78 1 129 GLN 2.33 2.05 1 130 ALA 1.70 2.66 1 132 ALA 4.45 2.53 1 135 LEU -1.92 -1.27 1 137 ALA 4.68 4.13 1 138 LEU 7.31 3.89 1 141 PHE 5.60 4.52 1 142 ALA 4.52 1.96 1 143 TYR 4.30 1.33 1 145 ASP 0.95 3.06 1 146 ALA 1.78 1.73 1 147 ILE 8.78 7.74 1 154 ASN -1.13 -0.21 1 155 ASP 4.34 2.03 1 157 THR 0.24 -1.54 1 159 PHE 3.64 4.45 1 174 ALA 3.74 2.43 1 175 GLN -1.00 -0.74 1 187 LEU 5.62 2.48 1 188 ASP 4.79 3.18 1 189 ALA 2.79 1.81 1 191 LYS 4.18 4.00 1 192 ALA 4.06 2.41 1 193 ALA 3.87 2.55 1 195 LEU 1.68 0.87 1 196 THR 4.00 3.26 1 197 GLU 0.88 0.79 1 198 ALA 0.76 0.30 1 199 ALA 2.10 1.65 1 200 HIS -0.79 -1.24 1 201 ASP 0.26 0.21 1 202 ASP -1.90 0.55 1 203 THR 1.40 -0.88 1 209 GLU -0.81 1.55 1 210 GLN -3.23 0.86 1 212 VAL -5.59 -7.20 1 213 PHE 1.28 -1.04 1 214 LEU 2.54 2.58 1 215 LYS 3.96 2.86 1 216 ALA 0.08 -0.35 1 218 ASN 0.85 -2.43 1 219 LEU 3.40 2.36 1 220 ASP 0.08 0.13 1 221 LEU -1.15 -0.87 1 222 ASN -1.66 -1.43 1 226 LYS -2.00 -0.39 1 227 TRP -3.50 -0.77 1 229 THR -2.05 -1.74 1 230 TYR 4.01 0.66 1 232 ASP -0.21 -0.59 1 234 TYR -3.88 -0.45 1 235 VAL -5.17 -2.32 1 236 ILE -2.87 0.69 1 237 ASN 0.80 2.17 1 238 SER 0.46 1.27 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11494_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.10 _LACS_plot.Line_1_terminator_val_y_1 4.11 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.58 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.45 _LACS_plot.Line_2_terminator_val_x_2 8.78 _LACS_plot.Line_2_terminator_val_y_2 -2.81 _LACS_plot.Y_axis_chem_shift_offset 0.17 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 211 ARG 3.82 -8.63 0 10 LYS 4.45 -1.13 1 11 LYS 5.77 -1.24 1 12 GLU 4.32 -2.33 1 13 ILE 6.40 -1.56 1 14 ALA 3.43 -0.80 1 15 MET 4.70 -3.81 1 16 GLU 0.68 2.47 1 20 SER 7.70 -3.37 1 21 ALA -0.05 0.71 1 22 ALA 1.21 0.79 1 23 ASN -2.78 2.07 1 24 SER 4.07 -2.49 1 25 SER -2.85 0.87 1 26 LEU 2.73 -2.01 1 27 ASP 0.87 -2.89 1 28 TRP 2.22 -1.33 1 29 LYS 4.48 -2.59 1 30 ALA 2.81 -1.52 1 31 GLN -1.16 0.25 1 32 TYR 6.20 -1.17 1 33 LYS -0.58 0.21 1 34 TYR 0.43 -0.04 1 35 ILE -0.07 -1.56 1 36 GLU -4.02 2.94 1 37 ASP -0.35 -0.98 1 38 ILE 1.76 -1.00 1 40 ASP -0.38 -0.83 1 42 ARG 0.55 -0.11 1 44 TYR 1.23 0.85 1 45 THR -0.91 0.29 1 60 GLU 4.09 -1.09 1 62 VAL 6.97 -1.58 1 63 GLN 5.37 -1.42 1 64 HIS 4.83 -1.13 1 65 TYR 0.26 -0.77 1 66 THR 5.48 -1.56 1 67 ASP 4.15 -1.43 1 68 LEU 1.09 0.44 1 69 GLU -2.41 0.74 1 72 ASN 0.03 0.61 1 74 LEU -1.18 0.07 1 75 ALA 3.74 -1.03 1 76 LYS 3.41 -2.45 1 77 TYR 2.41 -1.29 1 83 LYS 3.11 -0.21 1 84 VAL 0.45 -0.29 1 85 ASN 2.91 -1.20 1 87 SER -6.10 4.90 1 88 ALA -0.87 -1.11 1 89 SER 0.10 0.20 1 90 HIS -3.56 0.61 1 91 SER 3.61 -1.07 1 93 LEU 1.20 -2.39 1 95 THR 7.89 -2.52 1 97 PHE 2.92 -0.40 1 98 THR 6.07 -2.59 1 99 LYS 4.34 -1.03 1 100 ASP 4.57 -1.11 1 101 TRP 6.50 -2.50 1 102 ALA 4.55 -1.54 1 103 THR 6.52 -1.82 1 104 ALA 4.73 -2.41 1 105 ALA 3.93 -2.00 1 106 LYS 4.11 -0.82 1 107 ASP -1.17 -0.56 1 108 THR 5.36 -1.63 1 112 GLN 4.37 -1.64 1 113 ALA 4.97 -2.28 1 114 GLN 6.01 -0.78 1 115 ASN 4.48 -1.79 1 116 ASP 3.65 -0.96 1 126 ALA 4.30 -1.24 1 127 VAL 7.01 -1.51 1 128 SER 8.32 -4.54 1 129 GLN 2.33 -0.28 1 130 ALA 1.70 0.96 1 132 ALA 4.45 -1.92 1 135 LEU -1.92 0.65 1 137 ALA 4.68 -0.55 1 138 LEU 7.31 -3.42 1 141 PHE 5.60 -1.08 1 142 ALA 4.52 -2.56 1 143 TYR 4.30 -2.97 1 145 ASP 0.95 2.11 1 146 ALA 1.78 -0.05 1 147 ILE 8.78 -1.04 1 154 ASN -1.13 0.92 1 155 ASP 4.34 -2.31 1 157 THR 0.24 -1.78 1 159 PHE 3.64 0.81 1 174 ALA 3.74 -1.31 1 175 GLN -1.00 0.26 1 187 LEU 5.62 -3.14 1 188 ASP 4.79 -1.61 1 189 ALA 2.79 -0.98 1 191 LYS 4.18 -0.18 1 192 ALA 4.06 -1.65 1 193 ALA 3.87 -1.32 1 195 LEU 1.68 -0.81 1 196 THR 4.00 -0.74 1 197 GLU 0.88 -0.09 1 198 ALA 0.76 -0.46 1 199 ALA 2.10 -0.45 1 200 HIS -0.79 -0.45 1 201 ASP 0.26 -0.05 1 202 ASP -1.90 2.45 1 203 THR 1.40 -2.28 1 209 GLU -0.81 2.36 1 210 GLN -3.23 4.09 1 212 VAL -5.59 -1.61 1 213 PHE 1.28 -2.32 1 214 LEU 2.54 0.04 1 215 LYS 3.96 -1.10 1 216 ALA 0.08 -0.43 1 218 ASN 0.85 -3.28 1 219 LEU 3.40 -1.04 1 220 ASP 0.08 0.05 1 221 LEU -1.15 0.28 1 222 ASN -1.66 0.23 1 226 LYS -2.00 1.61 1 227 TRP -3.50 2.73 1 229 THR -2.05 0.31 1 230 TYR 4.01 -3.35 1 232 ASP -0.21 -0.38 1 234 TYR -3.88 3.43 1 235 VAL -5.17 2.85 1 236 ILE -2.87 3.56 1 237 ASN 0.80 1.37 1 238 SER 0.46 0.81 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11494_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.10 _LACS_plot.Line_1_terminator_val_y_1 -1.67 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.58 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.46 _LACS_plot.Line_2_terminator_val_x_2 8.78 _LACS_plot.Line_2_terminator_val_y_2 2.40 _LACS_plot.Y_axis_chem_shift_offset -0.05 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 212 VAL -5.59 2.75 0 10 LYS 4.45 0.57 1 11 LYS 5.77 1.51 1 12 GLU 4.32 1.67 1 13 ILE 6.40 0.72 1 14 ALA 3.43 0.48 1 15 MET 4.70 4.61 1 16 GLU 0.68 1.68 1 20 SER 7.70 0.32 1 21 ALA -0.05 -0.06 1 22 ALA 1.21 0.64 1 23 ASN -2.78 -1.26 1 24 SER 4.07 -1.62 1 25 SER -2.85 0.14 1 26 LEU 2.73 -0.25 1 27 ASP 0.87 0.07 1 28 TRP 2.22 2.32 1 29 LYS 4.48 1.47 1 30 ALA 2.81 0.47 1 31 GLN -1.16 1.93 1 32 TYR 6.20 2.68 1 33 LYS -0.58 -2.31 1 34 TYR 0.43 -1.22 1 35 ILE -0.07 -3.91 1 36 GLU -4.02 -2.35 1 37 ASP -0.35 1.30 1 38 ILE 1.76 1.65 1 40 ASP -0.38 0.05 1 42 ARG 0.55 -0.84 1 44 TYR 1.23 -0.87 1 45 THR -0.91 -0.78 1 60 GLU 4.09 2.40 1 62 VAL 6.97 3.23 1 63 GLN 5.37 1.32 1 64 HIS 4.83 2.63 1 65 TYR 0.26 -0.18 1 66 THR 5.48 0.08 1 67 ASP 4.15 2.04 1 68 LEU 1.09 0.23 1 69 GLU -2.41 -3.69 1 72 ASN 0.03 -0.07 1 74 LEU -1.18 0.62 1 75 ALA 3.74 3.29 1 76 LYS 3.41 0.26 1 77 TYR 2.41 -0.36 1 83 LYS 3.11 2.20 1 84 VAL 0.45 -0.02 1 85 ASN 2.91 0.96 1 87 SER -6.10 -2.94 1 88 ALA -0.87 -1.38 1 89 SER 0.10 0.59 1 90 HIS -3.56 1.56 1 91 SER 3.61 0.04 1 93 LEU 1.20 -1.59 1 97 PHE 2.92 0.51 1 98 THR 6.07 3.85 1 99 LYS 4.34 2.35 1 100 ASP 4.57 1.27 1 101 TRP 6.50 0.56 1 102 ALA 4.55 2.74 1 103 THR 6.52 2.67 1 104 ALA 4.73 0.46 1 105 ALA 3.93 -0.20 1 106 LYS 4.11 -0.53 1 107 ASP -1.17 1.83 1 112 GLN 4.37 1.18 1 113 ALA 4.97 1.30 1 115 ASN 4.48 1.95 1 116 ASP 3.65 3.03 1 126 ALA 4.30 1.05 1 127 VAL 7.01 2.18 1 128 SER 8.32 3.44 1 129 GLN 2.33 2.12 1 130 ALA 1.70 1.87 1 132 ALA 4.45 1.55 1 135 LEU -1.92 1.47 1 137 ALA 4.68 0.83 1 138 LEU 7.31 0.40 1 141 PHE 5.60 -0.49 1 142 ALA 4.52 3.72 1 143 TYR 4.30 0.32 1 145 ASP 0.95 1.25 1 146 ALA 1.78 0.94 1 147 ILE 8.78 2.19 1 154 ASN -1.13 0.19 1 155 ASP 4.34 0.15 1 157 THR 0.24 -0.98 1 159 PHE 3.64 -0.99 1 174 ALA 3.74 1.30 1 175 GLN -1.00 -0.25 1 187 LEU 5.62 1.43 1 188 ASP 4.79 2.58 1 189 ALA 2.79 1.82 1 191 LYS 4.18 0.64 1 192 ALA 4.06 2.45 1 193 ALA 3.87 2.47 1 195 LEU 1.68 0.94 1 196 THR 4.00 0.63 1 197 GLU 0.88 -0.06 1 198 ALA 0.76 -1.03 1 199 ALA 2.10 0.34 1 200 HIS -0.79 -0.24 1 201 ASP 0.26 -0.51 1 202 ASP -1.90 0.51 1 203 THR 1.40 2.35 1 209 GLU -0.81 1.26 1 210 GLN -3.23 0.21 1 211 ARG 3.82 -2.56 1 213 PHE 1.28 1.85 1 214 LEU 2.54 2.63 1 215 LYS 3.96 1.06 1 216 ALA 0.08 0.09 1 218 ASN 0.85 0.94 1 219 LEU 3.40 0.24 1 220 ASP 0.08 -2.86 1 221 LEU -1.15 -4.22 1 222 ASN -1.66 0.67 1 226 LYS -2.00 -1.34 1 227 TRP -3.50 -3.72 1 229 THR -2.05 -0.39 1 230 TYR 4.01 -0.52 1 232 ASP -0.21 -2.35 1 234 TYR -3.88 -1.66 1 235 VAL -5.17 -1.61 1 236 ILE -2.87 -0.39 1 237 ASN 0.80 -0.95 1 238 SER 0.46 2.32 1 stop_ save_