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 bmr6832_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.35 _LACS_plot.Line_1_terminator_val_y_1 -3.06 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.63 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.44 _LACS_plot.Line_2_terminator_val_x_2 9.24 _LACS_plot.Line_2_terminator_val_y_2 6.76 _LACS_plot.Y_axis_chem_shift_offset 0.07 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 168 MET -0.10 -6.11 0 11 PHE 1.73 1.95 1 13 ALA -1.58 -0.51 1 14 VAL -4.78 -3.03 1 15 ALA 0.02 0.40 1 16 ASN -2.98 -1.00 1 17 PHE 1.69 1.20 1 18 ASP -0.87 0.04 1 19 ARG -4.07 -1.97 1 20 SER 2.12 1.97 1 23 TYR 0.61 0.12 1 24 THR 1.13 0.92 1 26 SER -3.90 -1.31 1 27 SER -4.34 -1.65 1 28 GLN -3.21 -0.74 1 29 SER 0.94 -0.09 1 30 GLU -5.14 -1.64 1 33 SER 2.61 -0.20 1 35 ARG -1.07 -1.30 1 36 ILE -0.77 -2.27 1 37 TYR -3.01 -1.48 1 38 ARG -2.80 -1.84 1 40 ARG 2.34 2.85 1 41 ASP -2.03 -2.33 1 42 LEU -1.75 -0.34 1 44 GLN 1.91 2.05 1 47 VAL -0.48 -1.15 1 48 ARG -2.97 -1.23 1 49 HIS 0.74 1.77 1 51 VAL -5.31 -1.83 1 52 ILE -5.31 -2.16 1 53 LEU -4.11 -2.89 1 54 TRP -4.99 -1.85 1 56 ASN -2.07 0.87 1 60 ALA -4.62 -1.68 1 63 SER 4.03 2.78 1 64 THR 4.99 4.35 1 65 TYR -2.01 -2.50 1 66 ALA 2.62 3.19 1 68 LEU 2.68 2.08 1 69 LEU 6.63 2.45 1 70 SER 4.30 3.69 1 71 HIS 4.14 5.24 1 72 TRP 2.37 1.65 1 73 ALA 3.16 1.85 1 74 SER 3.79 2.93 1 75 HIS 1.13 4.97 1 77 PHE 1.18 1.24 1 78 VAL 2.24 1.05 1 79 VAL -2.58 -2.23 1 80 ALA -4.63 -2.88 1 81 ALA -4.75 -2.88 1 82 ALA 1.69 0.67 1 83 GLU 2.49 2.34 1 84 THR 1.83 -0.19 1 85 SER -0.34 0.21 1 86 ASN -2.23 -0.69 1 87 ALA -0.80 0.04 1 89 THR 1.17 2.25 1 91 ARG 5.15 4.43 1 92 GLU 6.65 3.79 1 93 MET 2.80 4.38 1 94 LEU 3.06 2.19 1 95 ALA 4.21 2.54 1 97 LEU 5.21 2.92 1 98 ASP 4.67 3.74 1 99 TYR 2.94 2.39 1 100 LEU 3.44 2.52 1 101 VAL 5.23 4.49 1 102 ARG 3.85 3.01 1 103 GLU 2.65 2.03 1 104 ASN 0.23 2.09 1 105 ASP -0.27 0.51 1 106 THR -0.05 0.15 1 108 TYR 0.41 -0.53 1 110 THR 3.86 4.09 1 111 TYR 0.70 0.73 1 112 SER 1.72 1.17 1 114 LYS -3.07 -1.20 1 115 LEU -4.37 -2.39 1 116 ASN -1.54 -3.10 1 117 THR 3.28 0.61 1 119 ARG -3.45 -1.88 1 120 VAL -4.30 -2.39 1 122 THR -4.62 -3.33 1 123 SER -3.70 -2.08 1 125 HIS 0.83 -0.70 1 126 SER 6.50 4.77 1 127 GLN 5.25 4.04 1 132 SER 3.92 3.87 1 133 ILE 3.51 2.20 1 134 MET 2.29 1.59 1 135 ALA -2.90 0.41 1 137 GLN -2.69 0.50 1 138 ASP 2.77 2.26 1 139 THR 0.22 0.91 1 140 ARG 2.39 1.63 1 141 VAL -1.46 -0.73 1 142 ARG -0.22 -1.68 1 143 THR -5.01 -1.37 1 144 THR -2.85 -2.18 1 145 ALA -4.34 -2.55 1 150 TYR -1.87 -2.95 1 151 THR 0.37 -0.65 1 152 LEU 3.29 0.28 1 154 LEU 3.54 4.28 1 156 HIS -3.38 -2.44 1 157 ASP 3.59 2.66 1 158 SER 3.63 2.26 1 159 ALA 2.86 3.27 1 160 SER 3.50 2.21 1 161 GLN -0.74 -1.46 1 162 ARG -1.30 -1.01 1 163 ARG -3.48 -0.81 1 164 GLN -0.29 -0.17 1 165 GLN -6.19 -1.24 1 169 PHE -3.40 -1.05 1 170 LEU -7.35 -1.66 1 171 MET -2.83 -0.89 1 172 SER -0.35 0.07 1 176 ASP 0.70 -0.21 1 177 THR 0.95 0.44 1 178 ILE -3.20 4.10 1 179 ALA 4.93 2.47 1 182 TYR -2.66 -0.17 1 183 LEU -2.98 1.87 1 184 ASN 0.06 0.33 1 185 ALA 9.24 6.25 1 186 GLN 4.83 2.67 1 188 VAL 3.30 3.29 1 189 TYR 3.00 2.52 1 190 ARG -0.16 1.29 1 191 ARG 1.78 0.71 1 192 ALA 2.52 1.29 1 193 ASN -4.90 -5.19 1 194 VAL -5.67 -2.96 1 196 VAL -2.75 -1.67 1 197 PHE -5.69 -4.70 1 198 TRP -4.19 -1.64 1 200 GLU -0.65 -3.10 1 201 ARG 2.28 1.52 1 202 ARG 4.82 2.61 1 203 TYR -1.49 -1.33 1 204 VAL -0.98 1.46 1 206 HIS 0.13 -1.65 1 207 PHE 6.28 4.55 1 208 GLU -0.58 0.29 1 212 SER 0.16 0.65 1 215 ALA 1.48 0.50 1 216 TYR 6.15 5.15 1 217 ARG 6.91 5.10 1 220 SER 8.09 6.38 1 221 THR 4.46 3.06 1 222 ALA 2.59 2.81 1 223 TRP 4.76 3.80 1 224 PHE 6.19 4.88 1 225 ARG 5.04 3.99 1 226 PHE 1.58 1.56 1 227 GLN 0.14 -0.41 1 228 LEU -1.26 -0.57 1 229 MET 2.89 1.11 1 230 ASP -0.98 0.04 1 231 ASP 2.90 1.43 1 232 GLN 3.85 2.67 1 233 ASP -1.30 0.13 1 234 ALA 3.63 3.93 1 235 ARG 2.91 1.42 1 236 ALA 5.84 4.28 1 237 THR -3.24 -0.21 1 238 PHE -1.24 0.52 1 239 TYR 2.72 2.35 1 241 ALA 0.25 -2.07 1 242 GLN 5.58 3.99 1 244 SER 2.93 2.12 1 245 LEU -0.79 -1.30 1 247 THR -1.59 -1.39 1 248 SER 2.15 1.55 1 249 LEU -0.08 -0.35 1 250 LEU -4.79 -1.86 1 251 TRP -1.59 -1.39 1 252 SER -3.00 -0.93 1 253 VAL -3.75 -1.90 1 254 GLU -5.56 -1.41 1 255 ARG -2.02 0.03 1 256 ARG 1.31 1.57 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6832_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.35 _LACS_plot.Line_1_terminator_val_y_1 4.29 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.37 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.56 _LACS_plot.Line_2_terminator_val_x_2 9.24 _LACS_plot.Line_2_terminator_val_y_2 -2.48 _LACS_plot.Y_axis_chem_shift_offset 0.07 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 168 MET -0.10 -6.01 0 11 PHE 1.73 0.22 1 13 ALA -1.58 1.07 1 14 VAL -4.78 1.75 1 15 ALA 0.02 0.38 1 16 ASN -2.98 1.98 1 17 PHE 1.69 -0.49 1 18 ASP -0.87 0.91 1 19 ARG -4.07 2.10 1 20 SER 2.12 -0.15 1 23 TYR 0.61 -0.49 1 24 THR 1.13 -0.21 1 26 SER -3.90 2.59 1 27 SER -4.34 2.69 1 28 GLN -3.21 2.47 1 29 SER 0.94 -1.03 1 30 GLU -5.14 3.50 1 33 SER 2.61 -2.81 1 35 ARG -1.07 -0.23 1 36 ILE -0.77 -1.50 1 37 TYR -3.01 1.53 1 38 ARG -2.80 0.96 1 40 ARG 2.34 0.51 1 41 ASP -2.03 -0.30 1 42 LEU -1.75 1.41 1 44 GLN 1.91 0.14 1 47 VAL -0.48 -0.67 1 48 ARG -2.97 1.74 1 49 HIS 0.74 1.03 1 51 VAL -5.31 3.48 1 52 ILE -5.31 3.15 1 53 LEU -4.11 1.22 1 54 TRP -4.99 3.14 1 56 ASN -2.07 2.94 1 60 ALA -4.62 2.94 1 63 SER 4.03 -1.25 1 64 THR 4.99 -0.64 1 65 TYR -2.01 -0.49 1 66 ALA 2.62 0.57 1 68 LEU 2.68 -0.60 1 69 LEU 6.63 -4.18 1 70 SER 4.30 -0.61 1 71 HIS 4.14 1.10 1 72 TRP 2.37 -0.72 1 73 ALA 3.16 -1.31 1 74 SER 3.79 -0.86 1 75 HIS 1.13 3.84 1 77 PHE 1.18 0.06 1 78 VAL 2.24 -1.19 1 79 VAL -2.58 0.35 1 80 ALA -4.63 1.75 1 81 ALA -4.75 1.87 1 82 ALA 1.69 -1.02 1 83 GLU 2.49 -0.15 1 84 THR 1.83 -2.02 1 85 SER -0.34 0.55 1 86 ASN -2.23 1.54 1 87 ALA -0.80 0.84 1 89 THR 1.17 1.08 1 91 ARG 5.15 -0.72 1 92 GLU 6.65 -2.86 1 93 MET 2.80 1.58 1 94 LEU 3.06 -0.87 1 95 ALA 4.21 -1.67 1 97 LEU 5.21 -2.29 1 98 ASP 4.67 -0.93 1 99 TYR 2.94 -0.55 1 100 LEU 3.44 -0.92 1 101 VAL 5.23 -0.74 1 102 ARG 3.85 -0.84 1 103 GLU 2.65 -0.62 1 104 ASN 0.23 1.86 1 105 ASP -0.27 0.78 1 106 THR -0.05 0.20 1 108 TYR 0.41 -0.94 1 110 THR 3.86 0.23 1 111 TYR 0.70 0.03 1 112 SER 1.72 -0.55 1 114 LYS -3.07 1.87 1 115 LEU -4.37 1.98 1 116 ASN -1.54 -1.56 1 117 THR 3.28 -2.67 1 119 ARG -3.45 1.57 1 120 VAL -4.30 1.91 1 122 THR -4.62 1.29 1 123 SER -3.70 1.62 1 125 HIS 0.83 -1.53 1 126 SER 6.50 -1.73 1 127 GLN 5.25 -1.21 1 132 SER 3.92 -0.05 1 133 ILE 3.51 -1.31 1 134 MET 2.29 -0.70 1 135 ALA -2.90 3.31 1 137 GLN -2.69 3.19 1 138 ASP 2.77 -0.51 1 139 THR 0.22 0.69 1 140 ARG 2.39 -0.76 1 141 VAL -1.46 0.73 1 142 ARG -0.22 -1.46 1 143 THR -5.01 3.64 1 144 THR -2.85 0.67 1 145 ALA -4.34 1.79 1 150 TYR -1.87 -1.08 1 151 THR 0.37 -1.02 1 152 LEU 3.29 -3.01 1 154 LEU 3.54 0.74 1 156 HIS -3.38 0.94 1 157 ASP 3.59 -0.93 1 158 SER 3.63 -1.37 1 159 ALA 2.86 0.41 1 160 SER 3.50 -1.29 1 161 GLN -0.74 -0.72 1 162 ARG -1.30 0.29 1 163 ARG -3.48 2.67 1 164 GLN -0.29 0.12 1 165 GLN -6.19 4.95 1 169 PHE -3.40 2.35 1 170 LEU -7.35 5.69 1 171 MET -2.83 1.94 1 172 SER -0.35 0.42 1 176 ASP 0.70 -0.91 1 177 THR 0.95 -0.51 1 178 ILE -3.20 7.30 1 179 ALA 4.93 -2.46 1 182 TYR -2.66 2.49 1 183 LEU -2.98 4.85 1 184 ASN 0.06 0.27 1 185 ALA 9.24 -2.99 1 186 GLN 4.83 -2.16 1 188 VAL 3.30 -0.01 1 189 TYR 3.00 -0.48 1 190 ARG -0.16 1.45 1 191 ARG 1.78 -1.07 1 192 ALA 2.52 -1.23 1 193 ASN -4.90 -0.29 1 194 VAL -5.67 2.71 1 196 VAL -2.75 1.08 1 197 PHE -5.69 0.99 1 198 TRP -4.19 2.55 1 200 GLU -0.65 -2.45 1 201 ARG 2.28 -0.76 1 202 ARG 4.82 -2.21 1 203 TYR -1.49 0.16 1 204 VAL -0.98 2.44 1 206 HIS 0.13 -1.78 1 207 PHE 6.28 -1.73 1 208 GLU -0.58 0.87 1 212 SER 0.16 0.49 1 215 ALA 1.48 -0.98 1 216 TYR 6.15 -1.00 1 217 ARG 6.91 -1.81 1 220 SER 8.09 -1.71 1 221 THR 4.46 -1.40 1 222 ALA 2.59 0.22 1 223 TRP 4.76 -0.96 1 224 PHE 6.19 -1.31 1 225 ARG 5.04 -1.05 1 226 PHE 1.58 -0.02 1 227 GLN 0.14 -0.55 1 228 LEU -1.26 0.69 1 229 MET 2.89 -1.78 1 230 ASP -0.98 1.02 1 231 ASP 2.90 -1.47 1 232 GLN 3.85 -1.18 1 233 ASP -1.30 1.43 1 234 ALA 3.63 0.30 1 235 ARG 2.91 -1.49 1 236 ALA 5.84 -1.56 1 237 THR -3.24 3.03 1 238 PHE -1.24 1.76 1 239 TYR 2.72 -0.37 1 241 ALA 0.25 -2.32 1 242 GLN 5.58 -1.59 1 244 SER 2.93 -0.81 1 245 LEU -0.79 -0.51 1 247 THR -1.59 0.20 1 248 SER 2.15 -0.60 1 249 LEU -0.08 -0.27 1 250 LEU -4.79 2.93 1 251 TRP -1.59 0.20 1 252 SER -3.00 2.07 1 253 VAL -3.75 1.85 1 254 GLU -5.56 4.15 1 255 ARG -2.02 2.05 1 256 ARG 1.31 0.26 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6832_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.35 _LACS_plot.Line_1_terminator_val_y_1 -2.29 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.74 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.58 _LACS_plot.Line_2_terminator_val_x_2 8.09 _LACS_plot.Line_2_terminator_val_y_2 2.58 _LACS_plot.Y_axis_chem_shift_offset -0.07 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 142 ARG -0.22 -4.49 0 236 ALA 5.84 -1.84 0 141 VAL -1.46 4.56 0 41 ASP -2.03 4.41 0 13 ALA -1.58 0.11 1 14 VAL -4.78 -2.98 1 15 ALA 0.02 -0.32 1 16 ASN -2.98 0.14 1 17 PHE 1.69 -1.31 1 18 ASP -0.87 1.91 1 19 ARG -4.07 -0.58 1 20 SER 2.12 4.06 1 23 TYR 0.61 1.13 1 24 THR 1.13 1.72 1 26 SER -3.90 -2.04 1 27 SER -4.34 -0.92 1 28 GLN -3.21 -1.70 1 29 SER 0.94 -0.57 1 30 GLU -5.14 -2.36 1 33 SER 2.61 -0.94 1 35 ARG -1.07 -1.82 1 36 ILE -0.77 -0.08 1 37 TYR -3.01 -1.54 1 40 ARG 2.34 0.04 1 42 LEU -1.75 1.97 1 44 GLN 1.91 2.58 1 47 VAL -0.48 -1.49 1 48 ARG -2.97 0.39 1 51 VAL -5.31 -0.56 1 52 ILE -5.31 -1.66 1 53 LEU -4.11 -2.23 1 54 TRP -4.99 -1.83 1 56 ASN -2.07 1.70 1 60 ALA -4.62 -2.27 1 63 SER 4.03 2.07 1 64 THR 4.99 4.13 1 65 TYR -2.01 -0.44 1 66 ALA 2.62 1.38 1 69 LEU 6.63 1.90 1 70 SER 4.30 1.40 1 72 TRP 2.37 3.70 1 73 ALA 3.16 2.98 1 74 SER 3.79 0.88 1 75 HIS 1.13 0.99 1 77 PHE 1.18 -1.50 1 78 VAL 2.24 -2.33 1 79 VAL -2.58 -1.57 1 80 ALA -4.63 -3.18 1 81 ALA -4.75 -0.37 1 82 ALA 1.69 1.13 1 83 GLU 2.49 0.79 1 85 SER -0.34 0.32 1 86 ASN -2.23 -0.62 1 87 ALA -0.80 2.62 1 91 ARG 5.15 3.09 1 93 MET 2.80 1.62 1 99 TYR 2.94 -0.39 1 100 LEU 3.44 1.00 1 101 VAL 5.23 1.98 1 102 ARG 3.85 4.02 1 103 GLU 2.65 2.49 1 104 ASN 0.23 1.62 1 105 ASP -0.27 1.18 1 108 TYR 0.41 -0.72 1 110 THR 3.86 0.14 1 111 TYR 0.70 -0.35 1 112 SER 1.72 1.65 1 114 LYS -3.07 -0.05 1 115 LEU -4.37 -0.95 1 116 ASN -1.54 1.30 1 117 THR 3.28 -1.69 1 119 ARG -3.45 -4.76 1 120 VAL -4.30 -0.56 1 122 THR -4.62 -2.33 1 123 SER -3.70 -2.51 1 125 HIS 0.83 4.04 1 126 SER 6.50 0.96 1 127 GLN 5.25 1.59 1 132 SER 3.92 2.31 1 133 ILE 3.51 4.70 1 134 MET 2.29 -0.47 1 135 ALA -2.90 0.94 1 137 GLN -2.69 0.93 1 138 ASP 2.77 0.18 1 139 THR 0.22 0.32 1 140 ARG 2.39 -1.48 1 143 THR -4.34 0.04 1 150 TYR -1.87 -1.35 1 151 THR 0.37 -2.16 1 152 LEU 3.29 -3.10 1 154 LEU 3.54 0.79 1 156 HIS 3.59 1.66 1 158 SER 3.63 2.28 1 159 ALA 2.86 3.33 1 160 SER -0.74 -0.94 1 162 ARG -1.30 -0.58 1 163 ARG -3.48 -0.59 1 164 GLN -0.29 0.15 1 165 GLN -6.19 -2.37 1 168 MET -3.40 -2.98 1 170 LEU -7.35 -0.05 1 171 MET -2.83 2.31 1 172 SER 0.95 -1.72 1 178 ILE 4.93 -0.87 1 182 TYR -2.66 -0.75 1 183 LEU -2.98 -0.79 1 184 ASN 0.06 -2.07 1 185 ALA 4.83 1.10 1 188 VAL 3.30 1.25 1 189 TYR 3.00 1.72 1 190 ARG -0.16 0.29 1 191 ARG 1.78 0.70 1 192 ALA 2.52 -2.23 1 193 ASN -5.67 -2.87 1 196 VAL -2.75 -1.85 1 197 PHE -5.69 -1.28 1 198 TRP -4.19 -1.95 1 200 GLU -0.65 -1.68 1 201 ARG 4.82 1.50 1 203 TYR -0.98 -2.00 1 206 HIS 0.13 0.56 1 207 PHE -0.58 0.06 1 212 SER 0.16 -0.54 1 215 ALA 1.48 1.85 1 216 TYR 6.15 1.67 1 217 ARG 6.91 1.06 1 220 SER 8.09 1.27 1 221 THR 4.46 0.58 1 222 ALA 2.59 1.64 1 223 TRP 4.76 3.65 1 224 PHE 6.19 3.16 1 225 ARG 5.04 1.07 1 226 PHE 1.58 1.88 1 227 GLN 0.14 -0.43 1 228 LEU -1.26 -1.83 1 229 MET 2.90 2.91 1 232 GLN 3.85 2.12 1 233 ASP 3.63 1.21 1 235 ARG 2.91 -0.44 1 237 THR -3.24 -1.49 1 238 PHE -1.24 0.39 1 239 TYR 0.25 -0.79 1 242 GLN -0.79 -0.52 1 247 THR -1.59 1.86 1 248 SER 2.15 0.25 1 249 LEU -0.08 -2.66 1 250 LEU -4.79 -0.82 1 251 TRP -1.59 0.02 1 252 SER -3.00 -1.14 1 253 VAL -2.02 -0.93 1 stop_ save_