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 bmr5090_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.41 _LACS_plot.Line_1_terminator_val_y_1 -3.20 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.27 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.77 _LACS_plot.Line_2_terminator_val_x_2 5.04 _LACS_plot.Line_2_terminator_val_y_2 3.15 _LACS_plot.Y_axis_chem_shift_offset -0.38 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 135 HIS 2.81 5.57 0 10 VAL 3.55 2.03 1 11 LEU -5.41 -2.13 1 12 ASP -2.76 -1.20 1 13 ILE 2.00 2.94 1 14 ASN -1.27 0.43 1 16 ASN -0.70 -0.25 1 18 ILE -0.47 -1.89 1 19 PHE -3.60 -0.59 1 22 VAL -0.99 -0.12 1 23 GLN -0.73 0.32 1 24 TYR -4.37 0.40 1 25 PHE -2.49 -0.30 1 26 ILE -0.07 0.72 1 27 LEU -4.99 -2.50 1 29 ALA 2.43 3.75 1 34 ALA 0.63 1.74 1 38 VAL -2.44 -1.83 1 39 ARG 1.22 -0.82 1 40 LEU -6.23 -0.82 1 42 ARG -1.75 -0.47 1 43 THR -4.96 -1.68 1 45 ASP -1.25 -0.69 1 46 LEU 2.28 0.97 1 47 THR 1.07 0.82 1 50 VAL -1.86 -1.86 1 51 THR 4.35 2.76 1 52 VAL 4.04 1.84 1 53 LEU -8.41 -3.38 1 54 GLN 2.19 -0.64 1 55 ASP -2.77 1.44 1 56 ARG 2.53 2.08 1 57 GLN -1.15 0.03 1 58 GLU 2.30 2.03 1 59 VAL 1.00 -0.24 1 60 LYS 0.14 -1.80 1 61 TYR 2.55 0.10 1 63 LEU -4.75 -1.67 1 65 VAL -6.15 -3.81 1 66 LYS -5.09 -1.37 1 67 PHE -3.45 -1.47 1 68 VAL -4.25 -0.79 1 69 ILE -3.13 -2.60 1 76 ILE -4.73 -1.31 1 77 ILE 2.47 0.96 1 78 PHE -3.16 -0.93 1 79 THR 1.04 0.25 1 81 THR 1.53 2.75 1 83 ILE -6.50 -1.34 1 84 GLU -4.32 -1.87 1 85 ILE -1.72 -0.32 1 86 GLU -6.82 -3.05 1 87 TYR -2.05 0.01 1 88 ALA 0.77 1.44 1 89 LYS -4.57 -1.32 1 90 LYS -3.86 -3.00 1 94 ALA -2.31 -1.24 1 95 LYS 1.74 1.18 1 96 SER -3.66 -1.87 1 97 SER -0.50 0.22 1 98 LYS 1.00 1.18 1 99 TRP -2.07 0.04 1 100 LEU -3.11 -1.16 1 101 VAL -4.01 -1.76 1 102 PHE -6.87 -3.56 1 103 VAL 2.08 0.94 1 104 ASP -3.14 -0.65 1 105 ASN 1.59 2.04 1 106 VAL 4.60 3.88 1 107 ILE -0.34 -0.29 1 108 GLN 4.78 1.04 1 109 LYS -6.69 -2.51 1 112 VAL 0.86 0.35 1 114 ILE -3.16 -1.03 1 118 GLU 3.17 2.57 1 119 ASN -0.71 2.39 1 120 TYR -4.05 -2.58 1 123 VAL -3.63 -0.95 1 124 GLN -0.15 0.52 1 125 THR -3.46 -1.84 1 126 LEU -3.26 -1.46 1 127 SER -2.11 -0.71 1 129 LEU -5.51 -1.42 1 130 PHE -3.47 0.43 1 131 LYS -3.22 0.02 1 132 ILE -2.12 -0.45 1 133 GLU -7.13 -2.89 1 134 LYS 2.21 1.39 1 136 GLU 5.04 3.35 1 137 SER 1.41 2.65 1 139 PHE -2.64 -0.92 1 141 TYR -4.40 0.56 1 142 LYS -5.00 -1.34 1 143 LEU -3.33 -1.48 1 145 PHE -4.98 -0.09 1 147 VAL 1.04 0.92 1 148 LYS 2.98 2.49 1 150 SER -2.98 -0.76 1 152 THR -1.89 -0.66 1 154 LEU -5.02 -0.93 1 155 ASP -1.65 0.58 1 156 VAL 0.84 0.09 1 158 ARG -6.43 -1.36 1 159 PHE -2.81 0.25 1 160 ASP -1.36 -0.63 1 161 ASN -3.25 -1.00 1 162 ASP 3.04 2.09 1 163 GLU 1.20 -0.80 1 164 ASP 2.48 2.75 1 166 ARG 0.26 1.25 1 168 LEU -0.72 -0.70 1 169 ASN -6.34 -2.10 1 170 LEU 1.36 -0.59 1 171 THR -3.39 -1.86 1 174 GLU 0.94 1.12 1 175 SER -1.50 0.58 1 176 PHE -2.99 -3.45 1 177 GLN -0.25 -0.36 1 178 VAL -6.25 -2.45 1 179 VAL -6.56 -3.02 1 180 PHE -4.71 -1.50 1 181 ILE -4.64 -1.16 1 182 GLN 3.40 2.82 1 183 ALA -0.02 0.26 1 184 GLU -1.42 -0.43 1 185 ALA -0.12 0.41 1 187 ASP -0.10 0.91 1 188 ALA 0.45 1.02 1 189 GLU 0.09 0.54 1 190 PHE 0.25 0.73 1 191 ILE 0.12 0.09 1 192 LYS 0.32 0.60 1 194 VAL 0.02 0.42 1 195 VAL 0.66 1.65 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5090_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.41 _LACS_plot.Line_1_terminator_val_y_1 5.21 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.73 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 1.23 _LACS_plot.Line_2_terminator_val_x_2 5.04 _LACS_plot.Line_2_terminator_val_y_2 -1.89 _LACS_plot.Y_axis_chem_shift_offset -0.38 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 135 HIS 2.81 2.76 0 10 VAL 3.55 -1.52 1 11 LEU -5.41 3.28 1 12 ASP -2.76 1.56 1 13 ILE 2.00 0.94 1 14 ASN -1.27 1.70 1 16 ASN -0.70 0.45 1 18 ILE -0.47 -1.42 1 19 PHE -3.60 3.01 1 22 VAL -0.99 0.87 1 23 GLN -0.73 1.05 1 24 TYR -4.37 4.77 1 25 PHE -2.49 2.19 1 26 ILE -0.07 0.79 1 27 LEU -4.99 2.49 1 29 ALA 2.43 1.32 1 34 ALA 0.63 1.11 1 38 VAL -2.44 0.61 1 39 ARG 1.22 -2.04 1 40 LEU -6.23 5.41 1 42 ARG -1.75 1.28 1 43 THR -4.96 3.28 1 45 ASP -1.25 0.56 1 46 LEU 2.28 -1.31 1 47 THR 1.07 -0.25 1 50 VAL -1.86 0.00 1 51 THR 4.35 -1.59 1 52 VAL 4.04 -2.20 1 53 LEU -8.41 5.03 1 54 GLN 2.19 -2.83 1 55 ASP -2.77 4.21 1 56 ARG 2.53 -0.45 1 57 GLN -1.15 1.18 1 58 GLU 2.30 -0.27 1 59 VAL 1.00 -1.24 1 60 LYS 0.14 -1.94 1 61 TYR 2.55 -2.45 1 63 LEU -4.75 3.08 1 65 VAL -6.15 2.34 1 66 LYS -5.09 3.72 1 67 PHE -3.45 1.98 1 68 VAL -4.25 3.46 1 69 ILE -3.13 0.53 1 76 ILE -4.73 3.42 1 77 ILE 2.47 -1.51 1 78 PHE -3.16 2.23 1 79 THR 1.04 -0.79 1 81 THR 1.53 1.22 1 83 ILE -6.50 5.16 1 84 GLU -4.32 2.45 1 85 ILE -1.72 1.40 1 86 GLU -6.82 3.77 1 87 TYR -2.05 2.06 1 88 ALA 0.77 0.67 1 89 LYS -4.57 3.25 1 90 LYS -3.86 0.86 1 94 ALA -2.31 1.07 1 95 LYS 1.74 -0.56 1 96 SER -3.66 1.79 1 97 SER -0.50 0.72 1 98 LYS 1.00 0.18 1 99 TRP -2.07 2.11 1 100 LEU -3.11 1.95 1 101 VAL -4.01 2.25 1 102 PHE -6.87 3.31 1 103 VAL 2.08 -1.14 1 104 ASP -3.14 2.49 1 105 ASN 1.59 0.45 1 106 VAL 4.60 -0.72 1 107 ILE -0.34 0.05 1 108 GLN 4.78 -3.74 1 109 LYS -6.69 4.18 1 112 VAL 0.86 -0.51 1 114 ILE -3.16 2.13 1 118 GLU 3.17 -0.60 1 119 ASN -0.71 3.10 1 120 TYR -4.05 1.47 1 123 VAL -3.63 2.68 1 124 GLN -0.15 0.67 1 125 THR -3.46 1.62 1 126 LEU -3.26 1.80 1 127 SER -2.11 1.40 1 129 LEU -5.51 4.09 1 130 PHE -3.47 3.90 1 131 LYS -3.22 3.24 1 132 ILE -2.12 1.67 1 133 GLU -7.13 4.24 1 134 LYS 2.21 -0.82 1 136 GLU 5.04 -1.69 1 137 SER 1.41 1.24 1 139 PHE -2.64 1.72 1 141 TYR -4.40 4.96 1 142 LYS -5.00 3.66 1 143 LEU -3.33 1.85 1 145 PHE -4.98 4.89 1 147 VAL 1.04 -0.12 1 148 LYS 2.98 -0.49 1 150 SER -2.98 2.22 1 152 THR -1.89 1.23 1 154 LEU -5.02 4.09 1 155 ASP -1.65 2.23 1 156 VAL 0.84 -0.75 1 158 ARG -6.43 5.07 1 159 PHE -2.81 3.06 1 160 ASP -1.36 0.73 1 161 ASN -3.25 2.25 1 162 ASP 3.04 -0.95 1 163 GLU 1.20 -2.00 1 164 ASP 2.48 0.27 1 166 ARG 0.26 0.99 1 168 LEU -0.72 0.02 1 169 ASN -6.34 4.24 1 170 LEU 1.36 -1.95 1 171 THR -3.39 1.53 1 174 GLU 0.94 0.18 1 175 SER -1.50 2.08 1 176 PHE -2.99 -0.46 1 177 GLN -0.25 -0.11 1 178 VAL -6.25 3.80 1 179 VAL -6.56 3.54 1 180 PHE -4.71 3.21 1 181 ILE -4.64 3.48 1 182 GLN 3.40 -0.58 1 183 ALA -0.02 0.28 1 184 GLU -1.42 0.99 1 185 ALA -0.12 0.53 1 187 ASP -0.10 1.01 1 188 ALA 0.45 0.57 1 189 GLU 0.09 0.45 1 190 PHE 0.25 0.48 1 191 ILE 0.12 -0.03 1 192 LYS 0.32 0.28 1 194 VAL 0.02 0.40 1 195 VAL 0.66 0.99 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5090_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.41 _LACS_plot.Line_1_terminator_val_y_1 -1.92 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.10 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.86 _LACS_plot.Line_2_terminator_val_x_2 5.04 _LACS_plot.Line_2_terminator_val_y_2 0.55 _LACS_plot.Y_axis_chem_shift_offset 0.46 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 12 ASP -2.76 4.06 0 195 VAL 0.66 4.67 0 10 VAL 3.55 -2.68 1 11 LEU -5.41 -1.10 1 13 ILE 2.00 0.23 1 14 ASN -1.27 0.49 1 16 ASN -0.70 -1.26 1 18 ILE -0.47 -1.46 1 19 PHE -3.60 0.48 1 22 VAL -0.99 -1.79 1 23 GLN -0.73 -0.08 1 24 TYR -4.37 -0.56 1 25 PHE -2.49 0.25 1 26 ILE -0.07 -2.48 1 27 LEU -4.99 -1.99 1 29 ALA 2.43 1.24 1 34 ALA 0.63 0.75 1 38 VAL -2.44 -1.77 1 39 ARG 1.22 -0.17 1 40 LEU -6.23 -0.11 1 42 ARG -1.75 0.11 1 43 THR -4.96 -1.03 1 45 ASP -1.25 0.82 1 46 LEU 2.28 0.84 1 47 THR 1.07 -1.02 1 50 VAL -1.86 -1.19 1 51 THR 4.35 -1.27 1 52 VAL 4.04 -1.69 1 53 LEU -8.41 -1.92 1 54 GLN 2.19 -0.15 1 55 ASP -2.77 0.45 1 56 ARG 2.53 1.15 1 57 GLN -1.15 -0.06 1 58 GLU 2.30 -0.58 1 59 VAL 1.00 -0.68 1 60 LYS 0.14 -1.09 1 61 TYR 2.55 -0.46 1 63 LEU -4.75 -1.44 1 65 VAL -6.15 -1.44 1 66 LYS -5.09 -2.64 1 67 PHE -3.45 0.32 1 68 VAL -4.25 -1.09 1 69 ILE -3.13 -0.92 1 76 ILE -4.73 -2.63 1 77 ILE 2.47 -1.87 1 78 PHE -3.16 1.75 1 79 THR 1.04 1.86 1 81 THR 1.53 -1.16 1 83 ILE -6.50 -1.17 1 84 GLU -4.32 -1.20 1 85 ILE -1.72 -2.63 1 86 GLU -6.82 0.20 1 87 TYR -2.05 2.14 1 88 ALA 0.77 -1.36 1 89 LYS -4.57 -3.21 1 94 ALA -2.31 -0.57 1 95 LYS 1.74 -0.28 1 96 SER -3.66 -0.67 1 97 SER -0.50 -0.92 1 98 LYS 1.00 0.66 1 99 TRP -2.07 0.16 1 100 LEU -3.11 -2.87 1 101 VAL -4.01 -2.58 1 102 PHE -6.87 -3.06 1 103 VAL 2.08 -1.96 1 104 ASP -3.14 0.74 1 105 ASN 1.59 0.76 1 106 VAL 4.60 1.88 1 107 ILE -0.34 -1.26 1 108 GLN 4.78 -0.70 1 109 LYS -6.69 -2.47 1 112 VAL 0.86 0.37 1 114 ILE -3.16 0.91 1 118 GLU 3.17 1.54 1 119 ASN -0.71 -3.12 1 120 TYR -4.05 -3.40 1 123 VAL -3.63 -1.57 1 124 GLN -0.15 -0.59 1 125 THR -3.46 -0.43 1 126 LEU -3.26 -0.84 1 127 SER -2.11 -0.52 1 129 LEU -5.51 -2.20 1 130 PHE -3.47 -0.79 1 131 LYS -3.22 -3.21 1 132 ILE -2.12 -0.60 1 133 GLU -7.13 -0.24 1 134 LYS 2.21 0.03 1 135 HIS 2.81 3.65 1 136 GLU 5.04 0.39 1 137 SER 1.41 1.87 1 139 PHE -2.64 -1.58 1 141 TYR -4.40 -2.78 1 142 LYS -5.00 -2.16 1 143 LEU -3.33 -0.79 1 145 PHE -4.98 -1.83 1 147 VAL 1.04 0.20 1 148 LYS 2.98 1.19 1 150 SER -2.98 1.16 1 152 THR -1.89 -0.63 1 154 LEU -5.02 -1.87 1 155 ASP -1.65 -1.48 1 156 VAL 0.84 0.95 1 158 ARG -6.43 0.74 1 160 ASP -1.36 -2.87 1 161 ASN -3.25 -0.13 1 162 ASP 3.04 -0.24 1 163 GLU 1.20 0.40 1 164 ASP 2.48 -0.04 1 166 ARG 0.26 -0.05 1 168 LEU -0.72 -1.86 1 169 ASN -6.34 -1.16 1 170 LEU 1.36 0.17 1 171 THR -3.39 -3.59 1 174 GLU 0.94 -0.23 1 175 SER -1.50 -0.15 1 176 PHE -2.99 -2.72 1 177 GLN -0.25 -0.42 1 178 VAL -6.25 -1.72 1 179 VAL -6.56 -3.34 1 180 PHE -4.71 -0.62 1 181 ILE -4.64 -0.60 1 182 GLN 3.40 0.12 1 183 ALA -0.02 -0.39 1 184 GLU -1.42 -0.61 1 185 ALA -0.12 -0.29 1 187 ASP -0.10 0.07 1 188 ALA 0.45 -2.43 1 189 GLU 0.09 0.06 1 190 PHE 0.25 0.00 1 191 ILE 0.12 -0.47 1 192 LYS 0.32 -0.04 1 194 VAL 0.02 -0.98 1 stop_ save_