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 bmr18294_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -5.43 _LACS_plot.Line_1_terminator_val_y_1 -3.10 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.86 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.64 _LACS_plot.Line_2_terminator_val_x_2 8.08 _LACS_plot.Line_2_terminator_val_y_2 6.15 _LACS_plot.Y_axis_chem_shift_offset 0.15 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 132 GLN -1.52 2.60 0 10 LEU -2.03 -1.19 1 12 GLN 4.83 3.58 1 14 PHE 2.75 2.33 1 15 LEU 3.92 3.16 1 16 LEU 4.40 3.03 1 17 LYS 4.40 3.00 1 19 LEU 5.26 3.53 1 20 GLU 3.90 2.28 1 21 GLN 5.31 3.61 1 22 VAL 6.99 5.25 1 23 ARG 3.80 2.76 1 24 LYS 3.57 3.03 1 25 ILE 5.28 3.83 1 26 GLN 4.39 3.62 1 28 ASP 3.37 1.53 1 30 ALA 3.91 2.33 1 32 LEU 4.34 3.12 1 33 GLN 4.63 4.54 1 34 GLU 4.87 2.71 1 35 LYS 3.45 3.18 1 36 LEU 4.48 3.76 1 38 ALA 3.29 2.95 1 39 THR 4.23 3.75 1 40 TYR -1.51 -0.99 1 41 LYS 6.11 1.36 1 42 LEU -1.21 -1.74 1 46 GLU 4.85 2.56 1 47 GLU 0.78 0.35 1 48 LEU -1.10 -1.15 1 49 VAL 4.60 3.53 1 50 LEU 4.87 3.02 1 51 LEU 3.81 2.30 1 53 HIS 3.75 2.92 1 54 SER 3.72 2.79 1 55 LEU -0.26 0.23 1 57 ILE 1.06 0.63 1 59 TRP -3.26 -2.58 1 60 ALA -2.42 -0.45 1 62 LEU -0.81 -0.73 1 63 SER 1.45 1.07 1 64 SER 1.33 0.39 1 67 SER 2.82 2.05 1 68 GLN -0.72 -0.46 1 69 ALA 1.60 -0.08 1 70 LEU 1.76 1.45 1 71 GLN -0.54 -1.34 1 72 LEU 4.36 4.04 1 73 ALA 5.08 3.66 1 76 LEU 5.34 3.46 1 77 SER 1.65 1.15 1 78 GLN 4.26 3.86 1 79 LEU 3.96 3.76 1 80 HIS 8.08 7.62 1 83 LEU 3.24 3.10 1 84 PHE 3.71 2.68 1 85 LEU 5.86 3.02 1 86 TYR 7.89 6.64 1 87 GLN 5.23 4.67 1 89 LEU 2.16 2.75 1 90 LEU 3.25 2.51 1 91 GLN 4.32 3.11 1 92 ALA 2.84 1.46 1 93 LEU 1.92 0.64 1 94 GLU 3.35 -0.30 1 99 GLU 3.86 2.10 1 100 LEU -0.66 -0.65 1 103 THR 6.54 4.97 1 104 LEU 4.10 2.26 1 105 ASP 5.10 2.77 1 106 THR 5.84 5.14 1 107 LEU 3.17 2.95 1 108 GLN 4.77 4.77 1 109 LEU 3.87 2.97 1 110 ASP 4.99 2.70 1 111 VAL 6.69 5.49 1 113 ASP 4.31 2.59 1 114 PHE -0.66 -0.77 1 115 ALA 5.73 3.79 1 116 THR 6.22 5.12 1 117 THR 6.46 5.32 1 118 ILE 5.35 4.07 1 119 TRP 2.97 3.16 1 120 GLN 4.46 3.05 1 121 GLN 1.55 1.90 1 122 MET 4.64 4.63 1 123 GLU 4.22 2.03 1 124 GLU 3.87 2.08 1 125 LEU -0.50 -0.58 1 127 MET -0.99 -0.31 1 128 ALA -0.02 -0.52 1 130 ALA 0.45 0.29 1 131 LEU -1.12 -0.57 1 134 THR -0.41 -0.25 1 135 GLN -0.40 0.06 1 137 ALA 0.03 -0.25 1 138 MET -2.83 -1.10 1 140 ALA -2.18 -1.93 1 141 PHE -0.56 -1.25 1 142 ALA 0.62 1.50 1 143 SER -5.43 -2.49 1 144 ALA 4.84 3.22 1 145 PHE 4.73 4.06 1 146 GLN 5.30 4.12 1 147 ARG 3.89 3.75 1 148 ARG 4.57 3.74 1 149 ALA 2.59 2.08 1 152 VAL 5.94 4.33 1 153 LEU 2.15 3.04 1 154 VAL 6.54 5.25 1 155 ALA 5.19 3.36 1 156 SER 4.32 3.26 1 157 HIS 5.48 4.23 1 158 LEU 3.82 2.52 1 159 GLN 5.24 3.62 1 161 PHE 3.77 3.52 1 162 LEU 2.94 1.79 1 163 GLU 4.26 2.78 1 164 VAL 6.16 4.30 1 166 TYR 4.86 4.30 1 167 ARG 4.91 3.89 1 168 VAL 4.52 3.65 1 169 LEU 3.69 2.98 1 170 ARG 4.75 2.75 1 171 HIS 3.99 2.70 1 172 LEU 1.57 1.37 1 173 ALA 0.31 0.21 1 174 GLN -1.86 -2.26 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18294_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -5.43 _LACS_plot.Line_1_terminator_val_y_1 2.33 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -1.13 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.36 _LACS_plot.Line_2_terminator_val_x_2 8.08 _LACS_plot.Line_2_terminator_val_y_2 -1.93 _LACS_plot.Y_axis_chem_shift_offset 0.15 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 132 GLN -1.52 4.12 0 10 LEU -2.03 0.84 1 12 GLN 4.83 -1.25 1 14 PHE 2.75 -0.42 1 15 LEU 3.92 -0.76 1 16 LEU 4.40 -1.37 1 17 LYS 4.40 -1.40 1 19 LEU 5.26 -1.73 1 20 GLU 3.90 -1.62 1 21 GLN 5.31 -1.70 1 22 VAL 6.99 -1.74 1 23 ARG 3.80 -1.04 1 24 LYS 3.57 -0.54 1 25 ILE 5.28 -1.45 1 26 GLN 4.39 -0.77 1 28 ASP 3.37 -1.84 1 30 ALA 3.91 -1.58 1 32 LEU 4.34 -1.22 1 33 GLN 4.63 -0.09 1 34 GLU 4.87 -2.16 1 35 LYS 3.45 -0.27 1 36 LEU 4.48 -0.72 1 38 ALA 3.29 -0.34 1 39 THR 4.23 -0.48 1 40 TYR -1.51 0.52 1 41 LYS 6.11 -4.75 1 42 LEU -1.21 -0.53 1 46 GLU 4.85 -2.29 1 47 GLU 0.78 -0.43 1 48 LEU -1.10 -0.05 1 49 VAL 4.60 -1.07 1 50 LEU 4.87 -1.85 1 51 LEU 3.81 -1.51 1 53 HIS 3.75 -0.83 1 54 SER 3.72 -0.93 1 55 LEU -0.26 0.49 1 57 ILE 1.06 -0.43 1 59 TRP -3.26 0.68 1 60 ALA -2.42 1.97 1 62 LEU -0.81 0.08 1 63 SER 1.45 -0.38 1 64 SER 1.33 -0.94 1 67 SER 2.82 -0.77 1 68 GLN -0.72 0.26 1 69 ALA 1.60 -1.68 1 70 LEU 1.76 -0.31 1 71 GLN -0.54 -0.80 1 72 LEU 4.36 -0.32 1 73 ALA 5.08 -1.42 1 76 LEU 5.34 -1.88 1 77 SER 1.65 -0.50 1 78 GLN 4.26 -0.40 1 79 LEU 3.96 -0.20 1 80 HIS 8.08 -0.46 1 83 LEU 3.24 -0.14 1 84 PHE 3.71 -1.03 1 85 LEU 5.86 -2.84 1 86 TYR 7.89 -1.25 1 87 GLN 5.23 -0.56 1 89 LEU 2.16 0.59 1 90 LEU 3.25 -0.74 1 91 GLN 4.32 -1.21 1 92 ALA 2.84 -1.38 1 93 LEU 1.92 -1.28 1 94 GLU 3.35 -3.65 1 99 GLU 3.86 -1.76 1 100 LEU -0.66 0.01 1 103 THR 6.54 -1.57 1 104 LEU 4.10 -1.84 1 105 ASP 5.10 -2.33 1 106 THR 5.84 -0.70 1 107 LEU 3.17 -0.22 1 108 GLN 4.77 0.00 1 109 LEU 3.87 -0.90 1 110 ASP 4.99 -2.29 1 111 VAL 6.69 -1.20 1 113 ASP 4.31 -1.72 1 114 PHE -0.66 -0.11 1 115 ALA 5.73 -1.94 1 116 THR 6.22 -1.10 1 117 THR 6.46 -1.14 1 118 ILE 5.35 -1.28 1 119 TRP 2.97 0.19 1 120 GLN 4.46 -1.41 1 121 GLN 1.55 0.35 1 122 MET 4.64 -0.01 1 123 GLU 4.22 -2.19 1 124 GLU 3.87 -1.79 1 125 LEU -0.50 -0.08 1 127 MET -0.99 0.68 1 128 ALA -0.02 -0.50 1 130 ALA 0.45 -0.16 1 131 LEU -1.12 0.55 1 134 THR -0.41 0.16 1 135 GLN -0.40 0.46 1 137 ALA 0.03 -0.28 1 138 MET -2.83 1.73 1 140 ALA -2.18 0.25 1 141 PHE -0.56 -0.69 1 142 ALA 0.62 0.88 1 143 SER -5.43 2.94 1 144 ALA 4.84 -1.62 1 145 PHE 4.73 -0.67 1 146 GLN 5.30 -1.18 1 147 ARG 3.89 -0.14 1 148 ARG 4.57 -0.83 1 149 ALA 2.59 -0.51 1 152 VAL 5.94 -1.61 1 153 LEU 2.15 0.89 1 154 VAL 6.54 -1.29 1 155 ALA 5.19 -1.83 1 156 SER 4.32 -1.06 1 157 HIS 5.48 -1.25 1 158 LEU 3.82 -1.30 1 159 GLN 5.24 -1.62 1 161 PHE 3.77 -0.25 1 162 LEU 2.94 -1.15 1 163 GLU 4.26 -1.48 1 164 VAL 6.16 -1.86 1 166 TYR 4.86 -0.56 1 167 ARG 4.91 -1.02 1 168 VAL 4.52 -0.87 1 169 LEU 3.69 -0.71 1 170 ARG 4.75 -2.00 1 171 HIS 3.99 -1.29 1 172 LEU 1.57 -0.20 1 173 ALA 0.31 -0.10 1 174 GLN -1.86 -0.40 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18294_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -5.43 _LACS_plot.Line_1_terminator_val_y_1 -2.57 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.77 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.80 _LACS_plot.Line_2_terminator_val_x_2 8.08 _LACS_plot.Line_2_terminator_val_y_2 3.12 _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 85 LEU 5.86 -2.00 0 143 SER -5.43 -0.42 0 12 GLN 4.83 2.07 1 14 PHE 2.75 0.82 1 15 LEU 3.92 0.83 1 16 LEU 4.40 2.18 1 17 LYS 4.40 2.44 1 19 LEU 5.26 1.39 1 20 GLU 3.90 2.67 1 21 GLN 5.31 2.73 1 22 VAL 6.99 1.10 1 23 ARG 3.80 3.41 1 24 LYS 3.57 2.33 1 25 ILE 5.28 0.71 1 26 GLN 4.39 4.09 1 28 ASP 3.37 3.38 1 30 ALA 3.91 3.24 1 32 LEU 4.34 0.28 1 33 GLN 4.63 3.11 1 34 GLU 4.87 2.32 1 35 LYS 3.45 3.54 1 36 LEU 4.48 1.39 1 38 ALA 3.29 1.58 1 39 THR 4.23 0.56 1 40 TYR -1.51 -1.36 1 41 LYS 6.11 -0.54 1 42 LEU -1.21 -2.31 1 46 GLU 4.85 1.39 1 47 GLU 0.78 0.55 1 48 LEU -1.10 -1.04 1 49 VAL 4.60 2.00 1 50 LEU 4.87 2.06 1 51 LEU 3.81 1.76 1 53 HIS 3.75 3.19 1 54 SER 3.72 1.29 1 55 LEU -0.26 -0.22 1 59 TRP -3.26 0.17 1 62 LEU -0.81 0.45 1 63 SER 1.45 1.40 1 64 SER 1.33 -1.53 1 67 SER 2.82 0.00 1 68 GLN -0.72 -1.42 1 69 ALA 1.60 -1.67 1 70 LEU 1.76 -0.85 1 71 GLN -0.54 -0.06 1 72 LEU 4.36 0.13 1 73 ALA 5.08 2.83 1 76 LEU 5.34 1.18 1 77 SER 1.65 0.31 1 78 GLN 4.26 4.33 1 79 LEU 3.96 0.81 1 80 HIS 8.08 2.23 1 83 LEU 3.24 0.66 1 84 PHE 3.71 2.74 1 86 TYR 7.89 2.39 1 87 GLN 5.23 2.46 1 89 LEU 2.16 0.42 1 90 LEU 3.25 2.67 1 91 GLN 4.32 2.74 1 92 ALA 2.84 0.00 1 93 LEU 1.92 -0.96 1 94 GLU 3.35 -0.01 1 99 GLU 3.86 0.62 1 100 LEU -0.66 -0.67 1 103 THR 6.54 2.00 1 104 LEU 4.10 0.83 1 105 ASP 5.10 1.94 1 106 THR 5.84 -0.07 1 107 LEU 3.17 0.30 1 108 GLN 4.77 2.34 1 109 LEU 3.87 1.42 1 110 ASP 4.99 3.76 1 113 ASP 4.31 2.20 1 114 PHE -0.66 1.35 1 115 ALA 5.73 2.41 1 116 THR 6.22 1.22 1 117 THR 6.46 2.95 1 119 TRP 2.97 1.54 1 120 GLN 4.46 2.71 1 121 GLN 1.55 2.98 1 122 MET 4.64 2.07 1 123 GLU 4.22 3.50 1 124 GLU 3.87 1.13 1 125 LEU -0.50 -0.65 1 127 MET -0.99 -2.07 1 130 ALA 0.45 -0.14 1 131 LEU -1.12 -0.53 1 134 THR -0.41 -0.37 1 135 GLN -0.40 0.19 1 137 ALA 0.03 -0.18 1 140 ALA -2.18 -1.33 1 141 PHE -0.56 -0.56 1 142 ALA 0.62 -0.49 1 144 ALA 4.84 2.00 1 145 PHE 4.73 1.02 1 146 GLN 5.30 2.48 1 147 ARG 3.89 0.99 1 148 ARG 4.57 0.79 1 149 ALA 2.59 2.20 1 152 VAL 5.94 2.70 1 153 LEU 2.15 1.49 1 154 VAL 6.54 0.97 1 155 ALA 5.19 1.49 1 156 SER 4.32 2.72 1 157 HIS 5.48 2.93 1 158 LEU 3.82 0.39 1 159 GLN 5.24 3.39 1 161 PHE 3.77 3.03 1 162 LEU 2.94 0.76 1 163 GLU 4.26 2.73 1 164 VAL 6.16 2.05 1 166 TYR 4.86 0.29 1 167 ARG 4.91 3.45 1 168 VAL 4.52 1.92 1 169 LEU 3.69 1.04 1 170 ARG 4.75 2.35 1 171 HIS 3.99 2.29 1 172 LEU 1.57 -0.26 1 173 ALA 0.31 -0.82 1 stop_ save_