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 bmr5666_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.91 _LACS_plot.Line_1_terminator_val_y_1 -2.47 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.46 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.31 _LACS_plot.Line_2_terminator_val_x_2 7.11 _LACS_plot.Line_2_terminator_val_y_2 5.08 _LACS_plot.Y_axis_chem_shift_offset -0.01 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 44 LEU -8.91 -0.94 0 61 VAL 7.12 6.65 0 167 ILE -3.58 -4.96 0 11 VAL 2.03 1.18 1 12 VAL -4.93 -0.55 1 14 ILE -5.65 -1.59 1 15 LEU -5.21 -0.91 1 16 VAL -5.12 -2.07 1 17 GLU -5.41 -0.99 1 18 LEU -4.59 -0.60 1 19 ASP -2.64 0.10 1 22 VAL -2.81 -1.21 1 23 ASN 3.37 1.61 1 25 HIS -0.02 0.40 1 26 LYS -0.79 -0.27 1 27 PHE -3.58 -1.57 1 28 SER -2.90 -0.52 1 29 VAL -6.48 -1.51 1 30 SER -3.43 -1.05 1 32 GLU -6.31 -2.16 1 34 GLU -5.02 -1.37 1 36 ASP -3.58 -1.59 1 37 ALA 0.02 1.68 1 38 THR 6.35 4.68 1 39 TYR -1.83 0.68 1 41 LYS -5.90 -1.21 1 42 LEU -4.47 -0.64 1 43 THR -1.97 -1.22 1 45 LYS -3.29 -1.14 1 46 PHE -4.87 -1.40 1 47 ILE -5.15 -1.69 1 49 THR 3.53 1.91 1 50 THR 0.54 -0.18 1 52 LYS -1.51 -1.16 1 53 LEU 0.02 0.43 1 57 TRP -2.53 1.01 1 59 THR 3.63 2.88 1 60 LEU -1.58 -0.48 1 62 THR 3.18 1.52 1 68 VAL -3.09 -3.52 1 69 GLN 5.31 2.36 1 71 PHE 4.39 3.34 1 72 SER 0.79 1.23 1 73 ARG 0.61 0.00 1 74 TYR -2.70 -2.30 1 77 HIS 2.77 3.51 1 78 MET -1.60 -0.16 1 79 LYS 5.09 4.57 1 80 ARG 3.72 1.25 1 81 HIS -2.07 0.32 1 82 ASP 0.91 -1.85 1 83 PHE 3.01 2.73 1 84 PHE 3.72 2.24 1 85 LYS 3.97 3.69 1 86 SER 3.61 2.67 1 87 ALA -0.50 -0.33 1 88 MET 0.97 -0.17 1 90 GLU 6.23 5.31 1 92 TYR -5.42 -2.61 1 93 VAL -1.69 -0.97 1 94 GLN -4.65 -0.47 1 96 ARG -4.07 0.13 1 97 THR 0.76 1.80 1 98 ILE -2.06 -1.15 1 99 SER -1.43 -1.63 1 100 PHE 2.05 0.68 1 101 LYS 2.76 2.48 1 102 ASP 3.47 2.30 1 103 ASP -3.45 -0.35 1 105 ASN -5.83 -1.36 1 106 TYR -6.42 -4.78 1 107 LYS -1.91 -0.28 1 108 THR -3.28 -2.18 1 109 ARG -0.86 0.89 1 110 ALA -8.71 -2.51 1 111 GLU -3.69 -0.73 1 112 VAL -0.79 -1.44 1 113 LYS -3.45 -1.08 1 114 PHE 1.43 1.75 1 115 GLU -0.73 -0.72 1 117 ASP -0.11 0.36 1 118 THR -1.11 0.49 1 119 LEU -1.26 -2.18 1 120 VAL -3.38 -1.84 1 121 ASN -3.67 -1.75 1 122 ARG -0.73 0.23 1 123 ILE -4.38 0.68 1 124 GLU -3.97 -0.93 1 125 LEU -4.55 -0.73 1 126 LYS -3.88 -1.22 1 128 ILE -5.42 -0.98 1 129 ASP 4.52 1.73 1 130 PHE 2.01 1.90 1 131 LYS -0.86 -0.36 1 132 GLU 3.83 3.33 1 133 ASP -0.46 -1.64 1 135 ASN 3.12 2.77 1 136 ILE 5.55 2.98 1 137 LEU 4.22 1.62 1 139 HIS 3.75 3.19 1 140 LYS -0.77 -0.99 1 141 LEU 1.31 0.73 1 142 GLU 0.43 0.32 1 148 HIS -2.28 2.26 1 149 ASN -3.47 -1.78 1 150 VAL -0.90 -0.55 1 151 TYR 3.51 2.91 1 152 ILE -2.06 -0.30 1 153 THR -4.04 -1.89 1 154 ALA -0.53 0.57 1 155 ASP -2.01 -1.64 1 156 LYS 4.20 3.51 1 157 GLN 3.64 2.83 1 158 LYS -0.85 -1.04 1 159 ASN 1.90 1.27 1 161 ILE -6.77 -2.46 1 162 LYS -5.25 -1.34 1 163 ALA -5.86 -1.83 1 164 ASN -3.93 0.38 1 165 PHE -0.98 -0.61 1 166 LYS -2.88 -0.77 1 168 ARG -0.83 -1.07 1 169 HIS -1.44 -0.42 1 170 ASN 3.09 2.07 1 171 ILE 0.05 -1.25 1 172 GLU 2.79 2.85 1 173 ASP 0.51 -0.16 1 175 SER -0.38 0.13 1 176 VAL -4.52 -1.31 1 177 GLN -4.88 -2.43 1 178 LEU -2.00 -0.34 1 179 ALA -4.11 -1.67 1 180 ASP 0.65 1.93 1 181 HIS 0.10 1.12 1 182 TYR -1.44 -0.24 1 183 GLN -6.49 -1.86 1 184 GLN -4.25 -0.41 1 185 ASN -2.98 -0.46 1 186 THR -2.58 -1.02 1 190 ASP -1.07 -0.24 1 193 VAL -4.74 -2.55 1 194 LEU 0.16 -1.04 1 195 LEU -2.36 -2.74 1 197 ASP -0.40 0.10 1 198 ASN 3.12 1.55 1 199 HIS 2.79 1.48 1 200 TYR -6.26 -2.56 1 201 LEU -2.33 -2.38 1 202 SER 0.14 -0.69 1 206 ALA -4.46 -1.27 1 208 SER -2.58 -1.27 1 209 LYS -5.78 -2.67 1 210 ASP -2.74 -1.42 1 212 ASN -0.48 0.26 1 213 GLU -2.66 -1.39 1 214 LYS 0.53 0.67 1 215 ARG 0.35 0.62 1 216 ASP 1.04 1.78 1 217 HIS -2.47 1.76 1 218 MET -5.53 -0.46 1 219 VAL 0.91 0.15 1 220 LEU -7.48 -1.31 1 221 LEU -3.46 -1.27 1 223 PHE -4.90 -1.35 1 224 VAL -3.33 -1.30 1 225 THR -3.84 -1.68 1 226 ALA -0.99 -0.87 1 227 ALA -4.08 -0.82 1 229 ILE -0.01 2.22 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5666_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.91 _LACS_plot.Line_1_terminator_val_y_1 6.44 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.54 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.69 _LACS_plot.Line_2_terminator_val_x_2 7.11 _LACS_plot.Line_2_terminator_val_y_2 -2.03 _LACS_plot.Y_axis_chem_shift_offset -0.01 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 44 LEU -8.91 7.97 0 61 VAL 7.12 -0.47 0 167 ILE -3.58 -1.38 0 11 VAL 2.03 -0.85 1 12 VAL -4.93 4.38 1 14 ILE -5.65 4.06 1 15 LEU -5.21 4.30 1 16 VAL -5.12 3.05 1 17 GLU -5.41 4.42 1 18 LEU -4.59 3.99 1 19 ASP -2.64 2.74 1 22 VAL -2.81 1.60 1 23 ASN 3.37 -1.76 1 25 HIS -0.02 0.42 1 26 LYS -0.79 0.52 1 27 PHE -3.58 2.01 1 28 SER -2.90 2.38 1 29 VAL -6.48 4.97 1 30 SER -3.43 2.38 1 32 GLU -6.31 4.15 1 34 GLU -5.02 3.65 1 36 ASP -3.58 1.99 1 37 ALA 0.02 1.66 1 38 THR 6.35 -1.67 1 39 TYR -1.83 2.51 1 41 LYS -5.90 4.69 1 42 LEU -4.47 3.83 1 43 THR -1.97 0.75 1 45 LYS -3.29 2.15 1 46 PHE -4.87 3.47 1 47 ILE -5.15 3.46 1 49 THR 3.53 -1.62 1 50 THR 0.54 -0.72 1 52 LYS -1.51 0.35 1 53 LEU 0.02 0.41 1 57 TRP -2.53 3.54 1 59 THR 3.63 -0.75 1 60 LEU -1.58 1.10 1 62 THR 3.18 -1.66 1 68 VAL -3.09 -0.43 1 69 GLN 5.31 -2.95 1 71 PHE 4.39 -1.05 1 72 SER 0.79 0.44 1 73 ARG 0.61 -0.61 1 74 TYR -2.70 0.40 1 77 HIS 2.77 0.74 1 78 MET -1.60 1.44 1 79 LYS 5.09 -0.52 1 80 ARG 3.72 -2.47 1 81 HIS -2.07 2.39 1 82 ASP 0.91 -2.76 1 83 PHE 3.01 -0.28 1 84 PHE 3.72 -1.48 1 85 LYS 3.97 -0.28 1 86 SER 3.61 -0.94 1 87 ALA -0.50 0.17 1 88 MET 0.97 -1.14 1 90 GLU 6.23 -0.92 1 92 TYR -5.42 2.81 1 93 VAL -1.69 0.72 1 94 GLN -4.65 4.18 1 96 ARG -4.07 4.20 1 97 THR 0.76 1.04 1 98 ILE -2.06 0.91 1 99 SER -1.43 -0.20 1 100 PHE 2.05 -1.37 1 101 LYS 2.76 -0.28 1 102 ASP 3.47 -1.17 1 103 ASP -3.45 3.10 1 105 ASN -5.83 4.47 1 106 TYR -6.42 1.64 1 107 LYS -1.91 1.63 1 108 THR -3.28 1.10 1 109 ARG -0.86 1.75 1 110 ALA -8.71 6.20 1 111 GLU -3.69 2.96 1 112 VAL -0.79 -0.65 1 113 LYS -3.45 2.37 1 114 PHE 1.43 0.32 1 115 GLU -0.73 0.01 1 117 ASP -0.11 0.47 1 118 THR -1.11 1.60 1 119 LEU -1.26 -0.92 1 120 VAL -3.38 1.54 1 121 ASN -3.67 1.92 1 122 ARG -0.73 0.96 1 123 ILE -4.38 5.06 1 124 GLU -3.97 3.04 1 125 LEU -4.55 3.82 1 126 LYS -3.88 2.66 1 128 ILE -5.42 4.44 1 129 ASP 4.52 -2.79 1 130 PHE 2.01 -0.11 1 131 LYS -0.86 0.50 1 132 GLU 3.83 -0.50 1 133 ASP -0.46 -1.18 1 135 ASN 3.12 -0.35 1 136 ILE 5.55 -2.57 1 137 LEU 4.22 -2.60 1 139 HIS 3.75 -0.56 1 140 LYS -0.77 -0.22 1 141 LEU 1.31 -0.58 1 142 GLU 0.43 -0.11 1 148 HIS -2.28 4.54 1 149 ASN -3.47 1.69 1 150 VAL -0.90 0.35 1 151 TYR 3.51 -0.60 1 152 ILE -2.06 1.76 1 153 THR -4.04 2.15 1 154 ALA -0.53 1.10 1 155 ASP -2.01 0.37 1 156 LYS 4.20 -0.69 1 157 GLN 3.64 -0.81 1 158 LYS -0.85 -0.19 1 159 ASN 1.90 -0.63 1 161 ILE -6.77 4.31 1 162 LYS -5.25 3.91 1 163 ALA -5.86 4.03 1 164 ASN -3.93 4.31 1 165 PHE -0.98 0.37 1 166 LYS -2.88 2.11 1 168 ARG -0.83 -0.24 1 169 HIS -1.44 1.02 1 170 ASN 3.09 -1.02 1 171 ILE 0.05 -1.30 1 172 GLU 2.79 0.06 1 173 ASP 0.51 -0.67 1 175 SER -0.38 0.51 1 176 VAL -4.52 3.21 1 177 GLN -4.88 2.45 1 178 LEU -2.00 1.66 1 179 ALA -4.11 2.44 1 180 ASP 0.65 1.28 1 181 HIS 0.10 1.02 1 182 TYR -1.44 1.20 1 183 GLN -6.49 4.63 1 184 GLN -4.25 3.84 1 185 ASN -2.98 2.52 1 186 THR -2.58 1.56 1 190 ASP -1.07 0.83 1 193 VAL -4.74 2.19 1 194 LEU 0.16 -1.20 1 195 LEU -2.36 -0.38 1 197 ASP -0.40 0.50 1 198 ASN 3.12 -1.57 1 199 HIS 2.79 -1.31 1 200 TYR -6.26 3.70 1 201 LEU -2.33 -0.05 1 202 SER 0.14 -0.83 1 206 ALA -4.46 3.19 1 208 SER -2.58 1.31 1 209 LYS -5.78 3.11 1 210 ASP -2.74 1.32 1 212 ASN -0.48 0.74 1 213 GLU -2.66 1.27 1 214 LYS 0.53 0.14 1 215 ARG 0.35 0.27 1 216 ASP 1.04 0.74 1 217 HIS -2.47 4.23 1 218 MET -5.53 5.07 1 219 VAL 0.91 -0.76 1 220 LEU -7.48 6.17 1 221 LEU -3.46 2.19 1 223 PHE -4.90 3.55 1 224 VAL -3.33 2.03 1 225 THR -3.84 2.16 1 226 ALA -0.99 0.12 1 227 ALA -4.08 3.26 1 229 ILE -0.01 2.23 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5666_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.91 _LACS_plot.Line_1_terminator_val_y_1 -2.40 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.02 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.85 _LACS_plot.Line_2_terminator_val_x_2 7.11 _LACS_plot.Line_2_terminator_val_y_2 0.98 _LACS_plot.Y_axis_chem_shift_offset 0.44 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 71 PHE 4.39 -3.38 0 11 VAL 2.03 0.67 1 14 ILE -5.65 -0.16 1 15 LEU -5.21 -2.80 1 16 VAL -5.12 -1.32 1 17 GLU -5.41 -2.48 1 18 LEU -4.59 -3.51 1 19 ASP -2.64 -1.56 1 22 VAL -2.81 -1.12 1 23 ASN 3.37 -1.17 1 25 HIS -0.02 0.92 1 26 LYS -0.79 0.67 1 27 PHE -3.58 -3.15 1 28 SER -2.90 -1.30 1 29 VAL -6.48 -1.75 1 30 SER -3.43 -0.70 1 32 GLU -6.31 -1.06 1 34 GLU -5.02 -2.42 1 36 ASP -3.58 1.41 1 37 ALA 0.02 0.92 1 38 THR 6.35 0.65 1 39 TYR -1.83 0.81 1 42 LEU -4.47 -2.22 1 43 THR -1.97 -0.75 1 44 LEU -8.91 -3.99 1 45 LYS -3.29 -2.17 1 46 PHE -4.87 -1.28 1 47 ILE -5.15 -0.30 1 49 THR 3.53 1.44 1 50 THR 0.54 -0.46 1 52 LYS -1.51 0.96 1 59 THR 3.63 -0.14 1 60 LEU -1.58 -1.62 1 61 VAL 7.12 -0.38 1 68 VAL -3.09 -0.86 1 69 GLN 5.31 -0.09 1 72 SER 0.79 -0.81 1 73 ARG 0.61 -0.05 1 77 HIS 2.77 2.00 1 79 LYS 5.09 2.02 1 80 ARG 3.72 -2.27 1 81 HIS -2.07 -0.04 1 82 ASP 0.91 -1.01 1 83 PHE 3.01 1.84 1 84 PHE 3.72 1.96 1 85 LYS 3.97 2.57 1 86 SER 3.61 -0.31 1 87 ALA -0.50 -0.95 1 90 GLU 6.23 0.85 1 92 TYR -5.42 -2.57 1 93 VAL -1.69 0.62 1 94 GLN -4.65 -0.51 1 96 ARG -4.07 1.35 1 97 THR 0.76 -1.05 1 98 ILE -2.06 -1.54 1 99 SER -1.43 0.37 1 100 PHE 2.05 -0.81 1 101 LYS 2.76 0.70 1 102 ASP 3.47 -2.03 1 103 ASP -3.45 0.77 1 105 ASN -5.83 0.47 1 106 TYR -6.42 -0.30 1 107 LYS -1.91 0.55 1 108 THR -3.28 -0.78 1 109 ARG -0.86 -2.78 1 110 ALA -8.71 -1.45 1 111 GLU -3.69 -2.01 1 112 VAL -0.79 -1.55 1 113 LYS -3.45 -2.03 1 114 PHE 1.43 1.54 1 115 GLU -0.73 0.27 1 117 ASP -0.11 -0.98 1 118 THR -1.11 -3.22 1 119 LEU -1.26 -2.99 1 120 VAL -3.38 -2.06 1 121 ASN -3.67 -0.90 1 122 ARG -0.73 0.43 1 123 ILE -4.38 -0.54 1 124 GLU -3.97 -1.96 1 125 LEU -4.55 -2.87 1 126 LYS -3.88 -0.83 1 128 ILE -5.42 -3.26 1 129 ASP 4.52 -0.71 1 130 PHE 2.01 2.06 1 132 GLU 3.83 -0.91 1 133 ASP -0.46 0.53 1 135 ASN 3.12 0.16 1 136 ILE 5.55 0.19 1 137 LEU 4.22 0.97 1 139 HIS 3.75 1.39 1 140 LYS -0.77 -0.70 1 141 LEU 1.31 0.77 1 142 GLU 0.43 0.15 1 148 HIS -2.28 -0.99 1 150 VAL -0.90 -1.26 1 151 TYR 3.51 -0.36 1 152 ILE -2.06 -1.02 1 153 THR -4.04 -2.12 1 154 ALA -0.53 -0.83 1 155 ASP -2.01 0.32 1 156 LYS 4.20 2.32 1 157 GLN 3.64 1.41 1 158 LYS -0.85 -0.88 1 159 ASN 1.90 -2.90 1 161 ILE -6.77 -1.70 1 162 LYS -5.25 -1.84 1 163 ALA -5.86 -1.68 1 164 ASN -3.93 -1.19 1 165 PHE -0.98 -3.04 1 166 LYS -2.88 -1.78 1 167 ILE -3.58 -1.04 1 168 ARG -0.83 -0.60 1 169 HIS -1.44 0.36 1 170 ASN 3.09 0.67 1 171 ILE 0.05 0.84 1 172 GLU 2.79 -0.70 1 173 ASP 0.51 1.02 1 175 SER -0.38 -1.81 1 176 VAL -4.52 -1.12 1 177 GLN -4.88 -1.38 1 178 LEU -2.00 1.13 1 179 ALA -4.11 -0.24 1 180 ASP 0.65 -1.24 1 181 HIS 0.10 -0.66 1 182 TYR -1.44 -1.31 1 183 GLN -6.49 -2.38 1 184 GLN -4.25 -1.34 1 185 ASN -2.98 -1.05 1 190 ASP -1.07 1.06 1 193 VAL -4.74 -0.75 1 194 LEU 0.16 -2.71 1 197 ASP -0.40 -0.42 1 198 ASN 3.12 0.29 1 199 HIS 2.79 -2.75 1 200 TYR -6.26 -2.73 1 201 LEU -2.33 0.22 1 206 ALA -4.46 -2.16 1 208 SER -2.58 0.92 1 209 LYS -5.78 -1.25 1 212 ASN -0.48 -0.69 1 213 GLU -2.66 -1.61 1 214 LYS 0.53 2.17 1 215 ARG 0.35 -0.29 1 216 ASP 1.04 0.38 1 217 HIS -2.47 -4.28 1 218 MET -5.53 -2.27 1 219 VAL 0.91 -3.06 1 220 LEU -7.48 -4.56 1 223 PHE -4.90 0.63 1 224 VAL -3.33 -1.12 1 225 THR -3.84 -2.40 1 226 ALA -0.99 -2.13 1 227 ALA -4.08 -2.27 1 stop_ save_