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 bmr27278_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.60 _LACS_plot.Line_1_terminator_val_y_1 -3.90 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.01 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.94 _LACS_plot.Line_2_terminator_val_x_2 7.19 _LACS_plot.Line_2_terminator_val_y_2 3.72 _LACS_plot.Y_axis_chem_shift_offset 0.72 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 201 ASN -4.86 0.01 0 65 PHE -3.84 -5.42 0 11 HIS -4.29 0.25 1 12 ILE -2.98 -0.87 1 13 ILE -2.24 -1.92 1 14 LYS -8.60 -4.99 1 15 GLU -2.70 -2.22 1 16 LYS 2.59 1.04 1 19 ARG -4.58 -2.70 1 20 SER -3.26 -1.25 1 21 VAL -1.76 -1.53 1 22 LEU -0.58 -0.99 1 23 THR 0.54 0.75 1 25 ILE -2.42 -3.91 1 27 ILE 3.82 0.83 1 28 SER 3.35 1.42 1 30 HIS -1.19 1.23 1 31 SER -1.56 -1.01 1 32 ASN -2.46 -0.74 1 33 VAL -2.27 -0.77 1 34 VAL -3.84 -2.59 1 35 TRP -4.68 -1.88 1 36 TYR -6.86 -1.48 1 37 GLN -6.33 -2.35 1 38 GLN -2.74 -1.09 1 39 THR 0.09 -0.30 1 40 LEU 3.33 1.43 1 42 LYS 0.19 -1.75 1 43 GLU -0.69 -1.20 1 44 LEU 0.68 -0.06 1 45 LYS -1.48 -1.47 1 46 PHE 1.67 0.69 1 47 LEU 1.20 0.35 1 48 ILE -0.20 -0.62 1 49 GLN -4.47 -2.14 1 57 ASP -0.75 -0.30 1 58 LYS -0.45 -0.08 1 64 ARG 2.41 -0.16 1 66 SER -2.43 -1.88 1 67 VAL -0.53 -2.27 1 69 GLN -3.04 -2.37 1 70 PHE -0.53 -0.18 1 71 ASP 3.83 2.70 1 72 ASP 0.98 -1.58 1 73 TYR 6.92 2.21 1 74 HIS 4.18 0.66 1 75 SER -4.96 -3.26 1 76 GLU -4.87 -2.76 1 77 MET -2.46 -2.16 1 78 ASN -1.18 -0.80 1 79 MET -2.01 -1.04 1 80 SER -3.46 -1.76 1 81 ALA 1.21 -1.16 1 82 LEU 0.95 0.97 1 83 GLU -4.73 -3.47 1 84 LEU 7.20 3.64 1 85 GLU 3.53 1.04 1 86 ASP 1.43 0.70 1 87 SER 2.70 1.63 1 88 ALA -1.25 -1.10 1 89 MET -1.87 -2.47 1 90 TYR -1.86 -1.01 1 91 PHE -3.69 -0.30 1 94 SER -6.87 -2.24 1 95 SER -5.51 -1.63 1 96 LEU 5.78 3.79 1 97 ARG -3.64 -3.17 1 100 ASP -2.42 -1.10 1 101 GLU 1.49 0.18 1 102 GLN -1.78 -1.19 1 103 TYR -1.17 -1.32 1 104 PHE 0.04 0.85 1 108 THR -2.33 -0.35 1 109 ARG 0.65 -0.55 1 110 LEU -4.05 -2.32 1 111 THR 2.31 0.95 1 112 VAL -1.58 -2.82 1 113 LEU 3.10 2.36 1 114 GLU -3.17 -2.04 1 115 ASP 3.09 1.86 1 116 LEU 4.21 1.34 1 117 ARG 0.86 0.81 1 118 ASN 4.96 1.85 1 119 VAL -5.77 -3.16 1 120 THR 0.44 -0.98 1 123 LYS -1.67 -1.39 1 124 VAL -3.95 -2.20 1 125 SER -4.00 -2.15 1 126 LEU -1.85 -1.77 1 127 ARG 0.14 -2.24 1 128 GLU -2.02 -1.98 1 130 SER 4.97 2.84 1 131 LYS 3.26 1.47 1 132 ALA 2.97 1.74 1 133 GLU 3.78 2.12 1 134 ILE 2.96 1.29 1 135 ALA 1.63 1.03 1 136 ASN -3.73 -2.13 1 139 LYS -4.37 -2.78 1 140 ALA 1.45 -0.74 1 141 THR -0.83 -0.62 1 142 LEU -3.37 -1.95 1 143 GLN -3.32 -1.67 1 145 GLN -4.73 -3.81 1 146 ALA -3.03 -1.22 1 147 ARG -5.78 -4.59 1 149 PHE -2.47 -0.19 1 150 PHE 3.95 -0.82 1 152 ASP -0.13 -1.68 1 153 HIS -6.31 -4.45 1 154 VAL -4.43 -1.95 1 155 GLU -2.53 -0.68 1 156 LEU -4.19 -1.93 1 157 SER -3.98 -1.42 1 158 TRP -2.56 -2.67 1 159 TRP -1.64 -2.31 1 160 VAL 3.88 1.07 1 161 ASN -3.13 -2.36 1 163 LYS 1.74 -0.75 1 164 GLU -3.28 -2.51 1 165 VAL -0.76 -1.20 1 169 VAL -1.62 -2.18 1 170 SER -0.71 -1.18 1 171 THR 0.76 -0.75 1 172 ASP -3.78 -2.25 1 174 GLN -0.38 -0.75 1 175 ALA -2.36 -1.80 1 176 TYR 2.19 -0.23 1 177 LYS 0.51 0.28 1 178 GLU -0.46 -1.67 1 179 SER -1.45 -3.53 1 181 TYR -0.22 -0.19 1 182 SER -4.52 -1.32 1 183 TYR -4.40 -2.10 1 184 SER -4.11 0.18 1 185 LEU -4.23 -1.85 1 186 SER -2.22 -2.13 1 187 SER -2.98 -1.77 1 188 ARG -0.33 -2.69 1 189 LEU -1.57 -1.87 1 190 ARG -6.33 -4.40 1 191 VAL 0.56 -0.31 1 192 SER 5.07 2.90 1 193 ALA 4.73 2.85 1 194 THR 2.83 3.04 1 195 PHE 1.20 0.76 1 196 TRP 0.26 -1.09 1 197 HIS -3.31 -4.08 1 198 ASN 1.84 -0.53 1 200 ARG 0.01 -1.15 1 202 HIS -3.44 -1.90 1 203 PHE -5.12 -1.78 1 204 ARG -4.44 -1.90 1 206 GLN -0.44 -2.00 1 207 VAL -0.80 -1.30 1 208 GLN -4.06 -2.94 1 209 PHE 0.50 0.06 1 210 HIS 0.10 -1.19 1 212 LEU -2.76 -1.77 1 213 SER 1.26 0.04 1 215 GLU 0.17 0.58 1 216 ASP 0.99 -0.44 1 217 LYS -7.03 -4.34 1 218 TRP -1.78 -2.64 1 222 SER -2.68 -3.12 1 224 LYS -1.64 -2.45 1 226 VAL 2.57 1.21 1 227 THR -3.57 -1.48 1 228 GLN -2.26 -1.95 1 229 ASN -1.73 -1.18 1 230 ILE -4.15 -1.70 1 231 SER -4.78 -1.78 1 232 ALA -6.70 -2.93 1 233 GLU -3.50 -1.06 1 234 ALA -2.76 -1.39 1 235 TRP -2.45 -2.02 1 237 ARG 0.36 -0.78 1 238 ALA 0.49 -0.76 1 239 ASP 0.74 0.96 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27278_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.60 _LACS_plot.Line_1_terminator_val_y_1 4.70 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -2.01 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.06 _LACS_plot.Line_2_terminator_val_x_2 7.19 _LACS_plot.Line_2_terminator_val_y_2 -3.47 _LACS_plot.Y_axis_chem_shift_offset 0.72 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 201 ASN -4.86 4.87 0 65 PHE -3.84 -1.58 0 11 HIS -4.29 4.54 1 12 ILE -2.98 2.11 1 13 ILE -2.24 0.32 1 14 LYS -8.60 3.61 1 15 GLU -2.70 0.48 1 16 LYS 2.59 -1.55 1 19 ARG -4.58 1.88 1 20 SER -3.26 2.01 1 21 VAL -1.76 0.23 1 22 LEU -0.58 -0.41 1 23 THR 0.54 0.21 1 25 ILE -2.42 -1.49 1 27 ILE 3.82 -2.99 1 28 SER 3.35 -1.93 1 30 HIS -1.19 2.42 1 31 SER -1.56 0.55 1 32 ASN -2.46 1.72 1 33 VAL -2.27 1.50 1 34 VAL -3.84 1.25 1 35 TRP -4.68 2.80 1 36 TYR -6.86 5.38 1 37 GLN -6.33 3.98 1 38 GLN -2.74 1.65 1 39 THR 0.09 -0.39 1 40 LEU 3.33 -1.90 1 42 LYS 0.19 -1.94 1 43 GLU -0.69 -0.51 1 44 LEU 0.68 -0.74 1 45 LYS -1.48 0.01 1 46 PHE 1.67 -0.98 1 47 LEU 1.20 -0.85 1 48 ILE -0.20 -0.42 1 49 GLN -4.47 2.33 1 57 ASP -0.75 0.45 1 58 LYS -0.45 0.37 1 64 ARG 2.41 -2.57 1 66 SER -2.43 0.55 1 67 VAL -0.53 -1.74 1 69 GLN -3.04 0.67 1 70 PHE -0.53 0.35 1 71 ASP 3.83 -1.13 1 72 ASP 0.98 -2.56 1 73 TYR 6.92 -4.71 1 74 HIS 4.18 -3.52 1 75 SER -4.96 1.70 1 76 GLU -4.87 2.11 1 77 MET -2.46 0.30 1 78 ASN -1.18 0.38 1 79 MET -2.01 0.97 1 80 SER -3.46 1.70 1 81 ALA 1.21 -2.37 1 82 LEU 0.95 0.02 1 83 GLU -4.73 1.26 1 84 LEU 7.20 -3.56 1 85 GLU 3.53 -2.49 1 86 ASP 1.43 -0.73 1 87 SER 2.70 -1.07 1 88 ALA -1.25 0.15 1 89 MET -1.87 -0.60 1 90 TYR -1.86 0.85 1 91 PHE -3.69 3.39 1 94 SER -6.87 4.63 1 95 SER -5.51 3.88 1 96 LEU 5.78 -1.99 1 97 ARG -3.64 0.47 1 100 ASP -2.42 1.32 1 101 GLU 1.49 -1.31 1 102 GLN -1.78 0.59 1 103 TYR -1.17 -0.15 1 104 PHE 0.04 0.81 1 108 THR -2.33 1.98 1 109 ARG 0.65 -1.20 1 110 LEU -4.05 1.73 1 111 THR 2.31 -1.36 1 112 VAL -1.58 -1.24 1 113 LEU 3.10 -0.74 1 114 GLU -3.17 1.13 1 115 ASP 3.09 -1.23 1 116 LEU 4.21 -2.87 1 117 ARG 0.86 -0.05 1 118 ASN 4.96 -3.11 1 119 VAL -5.77 2.61 1 120 THR 0.44 -1.42 1 123 LYS -1.67 0.28 1 124 VAL -3.95 1.75 1 125 SER -4.00 1.85 1 126 LEU -1.85 0.08 1 127 ARG 0.14 -2.38 1 128 GLU -2.02 0.04 1 130 SER 4.97 -2.13 1 131 LYS 3.26 -1.79 1 132 ALA 2.97 -1.23 1 133 GLU 3.78 -1.66 1 134 ILE 2.96 -1.67 1 135 ALA 1.63 -0.60 1 136 ASN -3.73 1.60 1 139 LYS -4.37 1.59 1 140 ALA 1.45 -2.19 1 141 THR -0.83 0.21 1 142 LEU -3.37 1.42 1 143 GLN -3.32 1.65 1 145 GLN -4.73 0.92 1 146 ALA -3.03 1.81 1 147 ARG -5.78 1.19 1 149 PHE -2.47 2.28 1 150 PHE 3.95 -4.77 1 152 ASP -0.13 -1.55 1 153 HIS -6.31 1.86 1 154 VAL -4.43 2.48 1 155 GLU -2.53 1.85 1 156 LEU -4.19 2.26 1 157 SER -3.98 2.56 1 158 TRP -2.56 -0.11 1 159 TRP -1.64 -0.67 1 160 VAL 3.88 -2.81 1 161 ASN -3.13 0.77 1 163 LYS 1.74 -2.49 1 164 GLU -3.28 0.77 1 165 VAL -0.76 -0.44 1 169 VAL -1.62 -0.56 1 170 SER -0.71 -0.47 1 171 THR 0.76 -1.51 1 172 ASP -3.78 1.53 1 174 GLN -0.38 -0.37 1 175 ALA -2.36 0.56 1 176 TYR 2.19 -2.42 1 177 LYS 0.51 -0.23 1 178 GLU -0.46 -1.21 1 179 SER -1.45 -2.08 1 181 TYR -0.22 0.03 1 182 SER -4.52 3.20 1 183 TYR -4.40 2.30 1 184 SER -4.11 4.29 1 185 LEU -4.23 2.38 1 186 SER -2.22 0.09 1 187 SER -2.98 1.21 1 188 ARG -0.33 -2.36 1 189 LEU -1.57 -0.30 1 190 ARG -6.33 1.93 1 191 VAL 0.56 -0.87 1 192 SER 5.07 -2.17 1 193 ALA 4.73 -1.88 1 194 THR 2.83 0.21 1 195 PHE 1.20 -0.44 1 196 TRP 0.26 -1.35 1 197 HIS -3.31 -0.77 1 198 ASN 1.84 -2.37 1 200 ARG 0.01 -1.16 1 202 HIS -3.44 1.54 1 203 PHE -5.12 3.34 1 204 ARG -4.44 2.54 1 206 GLN -0.44 -1.56 1 207 VAL -0.80 -0.50 1 208 GLN -4.06 1.12 1 209 PHE 0.50 -0.44 1 210 HIS 0.10 -1.29 1 212 LEU -2.76 0.99 1 213 SER 1.26 -1.22 1 215 GLU 0.17 0.41 1 216 ASP 0.99 -1.43 1 217 LYS -7.03 2.69 1 218 TRP -1.78 -0.86 1 222 SER -2.68 -0.44 1 224 LYS -1.64 -0.81 1 226 VAL 2.57 -1.36 1 227 THR -3.57 2.09 1 228 GLN -2.26 0.31 1 229 ASN -1.73 0.55 1 230 ILE -4.15 2.45 1 231 SER -4.78 3.00 1 232 ALA -6.70 3.77 1 233 GLU -3.50 2.44 1 234 ALA -2.76 1.37 1 235 TRP -2.45 0.43 1 237 ARG 0.36 -1.14 1 238 ALA 0.49 -1.25 1 239 ASP 0.74 0.22 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27278_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.60 _LACS_plot.Line_1_terminator_val_y_1 -2.95 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.32 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.39 _LACS_plot.Line_2_terminator_val_x_2 7.19 _LACS_plot.Line_2_terminator_val_y_2 1.22 _LACS_plot.Y_axis_chem_shift_offset 0.82 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 48 ILE -0.20 -6.42 0 11 HIS -4.29 0.20 1 12 ILE -2.98 -3.42 1 13 ILE -2.24 -1.13 1 14 LYS -8.60 -2.61 1 15 GLU -2.70 -1.01 1 16 LYS 2.59 0.14 1 19 ARG -4.58 -1.01 1 20 SER -3.26 -2.27 1 21 VAL -1.76 -1.39 1 22 LEU -0.58 -1.61 1 23 THR 0.54 -0.92 1 25 ILE -2.42 -2.78 1 27 ILE 3.82 -0.64 1 28 SER 3.35 1.22 1 30 HIS -1.19 1.88 1 31 SER -1.56 -0.87 1 32 ASN -2.46 -1.56 1 33 VAL -2.27 -1.84 1 35 TRP -4.68 -0.79 1 36 TYR -6.86 -1.10 1 37 GLN -6.33 -1.87 1 38 GLN -2.74 -0.55 1 39 THR 0.09 -0.30 1 40 LEU 3.33 0.62 1 42 LYS 0.19 -0.64 1 43 GLU -0.69 -0.61 1 44 LEU 0.68 -1.10 1 45 LYS -1.48 -0.65 1 46 PHE 1.67 -1.42 1 47 LEU 1.20 -2.85 1 49 GLN -4.47 -3.07 1 57 ASP -0.75 -2.47 1 58 LYS -0.45 -1.43 1 64 ARG 2.41 -0.57 1 65 PHE -3.84 -2.02 1 66 SER -2.43 -1.80 1 69 GLN -3.04 -1.39 1 70 PHE -0.53 0.95 1 71 ASP 3.83 -0.33 1 72 ASP 0.98 0.41 1 73 TYR 6.92 -0.79 1 74 HIS 4.18 -1.97 1 75 SER -4.96 -0.32 1 76 GLU -4.87 -1.99 1 77 MET -2.46 -3.08 1 78 ASN -1.18 -0.93 1 79 MET -2.01 -2.39 1 80 SER -3.46 -3.66 1 81 ALA 1.21 -0.49 1 82 LEU 0.95 0.30 1 83 GLU -4.73 0.99 1 84 LEU 7.20 3.13 1 85 GLU 3.53 -0.57 1 86 ASP 1.43 1.07 1 88 ALA -1.25 -2.67 1 89 MET -1.87 -0.93 1 90 TYR -1.86 0.67 1 91 PHE -3.69 -2.56 1 94 SER -6.87 -1.67 1 95 SER -5.51 -1.25 1 96 LEU 5.78 -0.27 1 97 ARG -3.64 0.09 1 100 ASP -2.42 -1.12 1 101 GLU 1.49 -1.54 1 102 GLN -1.78 -0.47 1 103 TYR -1.17 -1.08 1 104 PHE 0.04 3.00 1 108 THR -2.33 -1.70 1 109 ARG 0.65 -3.46 1 110 LEU -4.05 -1.23 1 111 THR 2.31 -3.20 1 112 VAL -1.58 -1.12 1 113 LEU 3.10 -0.30 1 114 GLU -3.17 0.43 1 115 ASP 3.09 0.42 1 116 LEU 4.21 1.06 1 117 ARG 0.86 0.88 1 118 ASN 4.96 -1.31 1 119 VAL -5.77 -4.73 1 120 THR 0.44 0.15 1 123 LYS -1.67 -2.06 1 124 VAL -3.95 -3.27 1 125 SER -4.00 -2.04 1 126 LEU -1.85 -0.94 1 127 ARG 0.14 -3.38 1 128 GLU -2.02 0.66 1 130 SER 4.97 2.49 1 131 LYS 3.26 1.79 1 132 ALA 2.97 2.40 1 133 GLU 3.78 1.89 1 134 ILE 2.96 0.95 1 135 ALA 1.63 0.87 1 136 ASN -3.73 -3.88 1 139 LYS -4.37 -3.04 1 140 ALA 1.45 -0.37 1 141 THR -0.83 -2.23 1 142 LEU -3.37 -2.06 1 143 GLN -3.32 -2.79 1 145 GLN -4.73 -1.87 1 146 ALA -3.03 -0.23 1 147 ARG -5.78 -1.69 1 149 PHE -2.47 -1.38 1 150 PHE 3.95 -0.78 1 152 ASP -0.13 -0.52 1 153 HIS -6.31 -0.74 1 154 VAL -4.43 -2.29 1 155 GLU -2.53 -2.07 1 156 LEU -4.19 -3.22 1 157 SER -3.98 -0.94 1 158 TRP -2.56 0.66 1 159 TRP -1.64 0.12 1 160 VAL 3.88 0.66 1 161 ASN -3.13 -2.47 1 163 LYS 1.74 0.20 1 164 GLU -3.28 -2.57 1 165 VAL -0.76 0.46 1 169 VAL -1.62 -1.32 1 170 SER -0.71 -1.10 1 171 THR 0.76 -1.90 1 172 ASP -3.78 -1.94 1 174 GLN -0.38 -1.27 1 175 ALA -2.36 -1.23 1 176 TYR 2.19 -1.24 1 177 LYS 0.51 -0.23 1 178 GLU -0.46 -0.92 1 179 SER -1.45 -1.82 1 181 TYR -0.22 -2.42 1 182 SER -4.52 -2.03 1 183 TYR -4.40 -1.87 1 184 SER -4.11 -3.36 1 185 LEU -4.23 -2.42 1 186 SER -2.22 -1.82 1 187 SER -2.98 -3.30 1 188 ARG -0.33 -3.98 1 189 LEU -1.57 -0.67 1 190 ARG -6.33 -1.72 1 191 VAL 0.56 0.97 1 192 SER 5.07 0.69 1 193 ALA 4.73 0.95 1 194 THR 2.83 2.46 1 195 PHE 1.20 -2.11 1 196 TRP 0.26 0.00 1 197 HIS -3.31 -1.05 1 198 ASN 1.84 0.52 1 200 ARG 0.01 -3.27 1 201 ASN -4.86 -1.10 1 202 HIS -3.44 -2.33 1 203 PHE -5.12 -2.95 1 204 ARG -4.44 -2.59 1 206 GLN -0.44 -2.09 1 207 VAL -0.80 -2.51 1 208 GLN -4.06 -3.28 1 209 PHE 0.50 -0.69 1 210 HIS 0.10 -1.67 1 212 LEU -2.76 1.40 1 213 SER 1.26 0.31 1 215 GLU 0.17 -0.87 1 216 ASP 0.99 -1.15 1 217 LYS -7.03 -2.29 1 218 TRP -1.78 -2.40 1 222 SER -2.68 -0.08 1 224 LYS -1.64 -0.65 1 226 VAL 2.57 -0.09 1 227 THR -3.57 -3.96 1 228 GLN -2.26 -0.67 1 229 ASN -1.73 -1.79 1 230 ILE -4.15 -1.66 1 231 SER -4.78 -2.69 1 232 ALA -6.70 -2.11 1 233 GLU -3.50 -3.02 1 234 ALA -2.76 0.10 1 235 TRP -2.45 -1.76 1 237 ARG 0.36 -0.31 1 238 ALA 0.49 -1.28 1 239 ASP 0.74 3.94 1 stop_ save_