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 bmr18295_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -5.07 _LACS_plot.Line_1_terminator_val_y_1 -2.99 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.83 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.74 _LACS_plot.Line_2_terminator_val_x_2 8.92 _LACS_plot.Line_2_terminator_val_y_2 6.68 _LACS_plot.Y_axis_chem_shift_offset 0.23 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 132 GLN -1.56 2.56 0 10 LEU -1.89 -1.18 1 12 GLN 4.95 3.63 1 13 SER 5.23 2.72 1 14 PHE 3.13 2.38 1 15 LEU 3.98 3.15 1 16 LEU 4.46 3.05 1 17 LYS 4.45 2.97 1 19 LEU 5.13 3.45 1 20 GLU 4.24 2.17 1 21 GLN 5.42 3.61 1 22 VAL 7.15 5.27 1 23 ARG 3.92 2.61 1 24 LYS 3.68 2.97 1 25 ILE 5.46 3.82 1 26 GLN 4.65 3.62 1 28 ASP 3.44 1.60 1 31 ALA 4.07 2.32 1 32 LEU 4.12 3.12 1 33 GLN 4.66 4.29 1 34 GLU 4.39 2.13 1 35 LYS 3.36 2.75 1 36 LEU 4.60 3.70 1 39 THR 4.16 3.53 1 40 TYR -0.99 -0.90 1 41 LYS 6.18 1.36 1 42 LEU -1.17 -1.77 1 46 GLU 4.50 2.16 1 47 GLU 1.20 0.28 1 48 LEU -0.86 -1.00 1 49 VAL 4.57 3.44 1 50 LEU 4.69 2.92 1 51 LEU 3.44 2.04 1 53 HIS 3.51 2.63 1 54 SER 3.51 2.55 1 55 LEU -0.17 0.25 1 57 ILE 0.79 0.27 1 59 TRP -2.88 -2.46 1 60 ALA -2.39 -0.54 1 62 LEU -0.69 -0.67 1 63 SER 1.47 1.02 1 64 SER 1.36 0.32 1 67 SER 2.87 1.97 1 68 GLN -0.51 -0.38 1 69 ALA 1.83 -0.08 1 70 LEU 1.87 1.44 1 71 GLN -0.33 -1.27 1 72 LEU 4.47 4.03 1 73 ALA 5.27 3.65 1 76 LEU 5.30 3.40 1 77 SER 2.19 1.62 1 78 GLN 4.58 4.02 1 79 LEU 4.01 3.76 1 80 HIS 8.20 7.40 1 83 LEU 3.24 3.06 1 84 PHE 3.89 2.57 1 85 LEU 7.07 3.44 1 86 TYR 8.49 6.88 1 87 GLN 5.24 4.53 1 89 LEU 2.28 2.84 1 90 LEU 3.63 2.51 1 91 GLN 4.25 2.99 1 92 ALA 3.02 1.46 1 93 LEU 1.87 0.61 1 94 GLU 3.61 -0.27 1 99 GLU 3.83 1.97 1 100 LEU -0.60 -0.60 1 103 THR 6.31 4.88 1 104 LEU 3.98 2.64 1 105 ASP 5.46 2.37 1 106 THR 5.80 5.16 1 107 LEU 3.30 2.87 1 108 GLN 4.83 4.75 1 109 LEU 3.85 2.97 1 110 ASP 5.13 2.76 1 111 VAL 6.82 5.48 1 113 ASP 4.57 2.24 1 114 PHE -0.47 -0.77 1 115 ALA 5.90 3.81 1 116 THR 6.28 5.19 1 117 THR 6.50 5.42 1 118 ILE 5.78 4.55 1 119 TRP 3.00 2.99 1 120 GLN 4.57 3.03 1 121 GLN 1.78 1.94 1 122 MET 4.61 4.58 1 123 GLU 4.28 2.02 1 124 GLU 4.19 1.98 1 125 LEU -0.50 -0.60 1 127 MET -0.92 -0.30 1 128 ALA -0.15 -0.65 1 130 ALA 0.60 0.27 1 131 LEU -1.09 -0.58 1 134 THR -0.38 -0.22 1 135 GLN -0.34 0.07 1 137 ALA 0.19 -0.23 1 138 MET -2.76 -1.11 1 140 ALA -1.82 -1.88 1 141 PHE -0.46 -1.28 1 142 ALA 0.90 1.50 1 143 SER -5.07 -2.44 1 144 ALA 5.03 3.18 1 145 PHE 4.84 4.00 1 146 GLN 5.25 4.06 1 147 ARG 4.40 4.04 1 148 ARG 4.63 3.73 1 149 ALA 2.91 2.06 1 152 VAL 5.93 4.21 1 153 LEU 2.30 3.00 1 154 VAL 6.82 5.24 1 155 ALA 5.40 3.34 1 156 SER 4.76 3.30 1 157 HIS 5.46 4.12 1 158 LEU 4.03 2.65 1 159 GLN 5.38 3.57 1 160 SER 5.54 3.95 1 161 PHE 4.05 3.61 1 162 LEU 3.00 1.81 1 163 GLU 4.50 2.73 1 164 VAL 6.28 4.33 1 166 TYR 5.03 4.27 1 167 ARG 5.03 3.89 1 168 VAL 8.93 3.63 1 169 LEU 3.77 3.02 1 170 ARG 4.79 2.72 1 171 HIS 4.16 2.83 1 172 LEU 1.63 1.39 1 173 ALA 0.46 0.16 1 174 GLN -1.88 -2.30 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18295_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -5.07 _LACS_plot.Line_1_terminator_val_y_1 2.08 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.17 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.26 _LACS_plot.Line_2_terminator_val_x_2 8.92 _LACS_plot.Line_2_terminator_val_y_2 -2.24 _LACS_plot.Y_axis_chem_shift_offset 0.23 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 132 GLN -1.56 4.12 0 10 LEU -1.89 0.71 1 12 GLN 4.95 -1.32 1 13 SER 5.23 -2.51 1 14 PHE 3.13 -0.75 1 15 LEU 3.98 -0.83 1 16 LEU 4.46 -1.41 1 17 LYS 4.45 -1.48 1 19 LEU 5.13 -1.68 1 20 GLU 4.24 -2.07 1 21 GLN 5.42 -1.81 1 22 VAL 7.15 -1.88 1 23 ARG 3.92 -1.31 1 24 LYS 3.68 -0.71 1 25 ILE 5.46 -1.64 1 26 GLN 4.65 -1.03 1 28 ASP 3.44 -1.84 1 31 ALA 4.07 -1.75 1 32 LEU 4.12 -1.00 1 33 GLN 4.66 -0.37 1 34 GLU 4.39 -2.26 1 35 LYS 3.36 -0.61 1 36 LEU 4.60 -0.90 1 39 THR 4.16 -0.63 1 40 TYR -0.99 0.09 1 41 LYS 6.18 -4.82 1 42 LEU -1.17 -0.60 1 46 GLU 4.50 -2.34 1 47 GLU 1.20 -0.92 1 48 LEU -0.86 -0.14 1 49 VAL 4.57 -1.13 1 50 LEU 4.69 -1.77 1 51 LEU 3.44 -1.40 1 53 HIS 3.51 -0.88 1 54 SER 3.51 -0.96 1 55 LEU -0.17 0.42 1 57 ILE 0.79 -0.52 1 59 TRP -2.88 0.42 1 60 ALA -2.39 1.85 1 62 LEU -0.69 0.02 1 63 SER 1.47 -0.45 1 64 SER 1.36 -1.04 1 67 SER 2.87 -0.90 1 68 GLN -0.51 0.13 1 69 ALA 1.83 -1.91 1 70 LEU 1.87 -0.43 1 71 GLN -0.33 -0.94 1 72 LEU 4.47 -0.44 1 73 ALA 5.27 -1.62 1 76 LEU 5.30 -1.90 1 77 SER 2.19 -0.57 1 78 GLN 4.58 -0.56 1 79 LEU 4.01 -0.25 1 80 HIS 8.20 -0.80 1 83 LEU 3.24 -0.18 1 84 PHE 3.89 -1.32 1 85 LEU 7.07 -3.63 1 86 TYR 8.49 -1.61 1 87 GLN 5.24 -0.71 1 89 LEU 2.28 0.56 1 90 LEU 3.63 -1.12 1 91 GLN 4.25 -1.26 1 92 ALA 3.02 -1.56 1 93 LEU 1.87 -1.26 1 94 GLU 3.61 -3.88 1 99 GLU 3.83 -1.86 1 100 LEU -0.60 0.00 1 103 THR 6.31 -1.43 1 104 LEU 3.98 -1.34 1 105 ASP 5.46 -3.09 1 106 THR 5.80 -0.64 1 107 LEU 3.30 -0.43 1 108 GLN 4.83 -0.08 1 109 LEU 3.85 -0.88 1 110 ASP 5.13 -2.37 1 111 VAL 6.82 -1.34 1 113 ASP 4.57 -2.33 1 114 PHE -0.47 -0.30 1 115 ALA 5.90 -2.09 1 116 THR 6.28 -1.09 1 117 THR 6.50 -1.08 1 118 ILE 5.78 -1.23 1 119 TRP 3.00 -0.01 1 120 GLN 4.57 -1.54 1 121 GLN 1.78 0.16 1 122 MET 4.61 -0.03 1 123 GLU 4.28 -2.26 1 124 GLU 4.19 -2.21 1 125 LEU -0.50 -0.10 1 127 MET -0.92 0.62 1 128 ALA -0.15 -0.50 1 130 ALA 0.60 -0.33 1 131 LEU -1.09 0.51 1 134 THR -0.38 0.16 1 135 GLN -0.34 0.41 1 137 ALA 0.19 -0.42 1 138 MET -2.76 1.65 1 140 ALA -1.82 -0.06 1 141 PHE -0.46 -0.82 1 142 ALA 0.90 0.60 1 143 SER -5.07 2.63 1 144 ALA 5.03 -1.85 1 145 PHE 4.84 -0.84 1 146 GLN 5.25 -1.19 1 147 ARG 4.40 -0.36 1 148 ARG 4.63 -0.90 1 149 ALA 2.91 -0.85 1 152 VAL 5.93 -1.72 1 153 LEU 2.30 0.70 1 154 VAL 6.82 -1.58 1 155 ALA 5.40 -2.06 1 156 SER 4.76 -1.46 1 157 HIS 5.46 -1.34 1 158 LEU 4.03 -1.38 1 159 GLN 5.38 -1.81 1 160 SER 5.54 -1.59 1 161 PHE 4.05 -0.44 1 162 LEU 3.00 -1.19 1 163 GLU 4.50 -1.77 1 164 VAL 6.28 -1.95 1 166 TYR 5.03 -0.76 1 167 ARG 5.03 -1.14 1 168 VAL 8.93 -5.30 1 169 LEU 3.77 -0.75 1 170 ARG 4.79 -2.07 1 171 HIS 4.16 -1.33 1 172 LEU 1.63 -0.24 1 173 ALA 0.46 -0.30 1 174 GLN -1.88 -0.42 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18295_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -5.07 _LACS_plot.Line_1_terminator_val_y_1 -2.61 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.68 _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 8.92 _LACS_plot.Line_2_terminator_val_y_2 3.33 _LACS_plot.Y_axis_chem_shift_offset 0.17 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 143 SER -5.07 -0.41 0 85 LEU 7.07 -2.01 0 12 GLN 4.95 2.08 1 13 SER 5.23 2.42 1 14 PHE 3.13 0.85 1 15 LEU 3.98 0.83 1 16 LEU 4.46 2.18 1 17 LYS 4.45 2.53 1 19 LEU 5.13 1.40 1 20 GLU 4.24 2.55 1 21 GLN 5.42 2.59 1 22 VAL 7.15 1.07 1 23 ARG 3.92 3.41 1 24 LYS 3.68 2.41 1 25 ILE 5.46 0.72 1 26 GLN 4.65 4.30 1 28 ASP 3.44 3.13 1 31 ALA 4.07 2.66 1 32 LEU 4.12 0.35 1 33 GLN 4.66 3.04 1 34 GLU 4.39 2.73 1 35 LYS 3.36 3.21 1 36 LEU 4.60 1.22 1 39 THR 4.16 0.46 1 40 TYR -0.99 -1.37 1 41 LYS 6.18 -0.46 1 42 LEU -1.17 -1.94 1 46 GLU 4.50 1.17 1 47 GLU 1.20 0.51 1 48 LEU -0.86 -0.94 1 49 VAL 4.57 1.86 1 50 LEU 4.69 1.94 1 51 LEU 3.44 1.64 1 53 HIS 3.51 2.85 1 54 SER 3.51 1.06 1 55 LEU -0.17 -0.26 1 59 TRP -2.88 0.02 1 62 LEU -0.69 0.36 1 63 SER 1.47 1.35 1 64 SER 1.36 -1.54 1 67 SER 2.87 0.00 1 68 GLN -0.51 -1.41 1 69 ALA 1.83 -1.67 1 70 LEU 1.87 -0.85 1 71 GLN -0.33 -0.07 1 72 LEU 4.47 0.13 1 73 ALA 5.27 2.81 1 76 LEU 5.30 1.17 1 77 SER 2.19 0.31 1 78 GLN 4.58 4.34 1 79 LEU 4.01 0.82 1 80 HIS 8.20 2.16 1 83 LEU 3.24 0.46 1 84 PHE 3.89 2.62 1 86 TYR 8.49 2.74 1 87 GLN 5.24 2.56 1 89 LEU 2.28 0.44 1 90 LEU 3.63 2.54 1 91 GLN 4.25 2.69 1 92 ALA 3.02 0.11 1 93 LEU 1.87 -0.96 1 94 GLU 3.61 0.02 1 99 GLU 3.83 0.73 1 100 LEU -0.60 -0.67 1 103 THR 6.31 2.35 1 104 LEU 3.98 0.37 1 105 ASP 5.46 1.62 1 106 THR 5.80 -0.09 1 107 LEU 3.30 0.00 1 108 GLN 4.83 2.32 1 109 LEU 3.85 1.52 1 110 ASP 5.13 3.77 1 113 ASP 4.57 2.03 1 114 PHE -0.47 1.32 1 115 ALA 5.90 2.43 1 116 THR 6.28 1.16 1 117 THR 6.50 2.93 1 119 TRP 3.00 1.50 1 120 GLN 4.57 2.71 1 121 GLN 1.78 2.40 1 122 MET 4.61 2.08 1 123 GLU 4.28 3.46 1 124 GLU 4.19 1.04 1 125 LEU -0.50 -0.68 1 127 MET -0.92 -2.10 1 130 ALA 0.60 -0.15 1 131 LEU -1.09 -0.91 1 134 THR -0.38 -0.43 1 135 GLN -0.34 0.14 1 137 ALA 0.19 -0.24 1 140 ALA -1.82 -1.25 1 141 PHE -0.46 -0.55 1 142 ALA 0.90 -0.49 1 144 ALA 5.03 2.02 1 145 PHE 4.84 1.10 1 146 GLN 5.25 2.49 1 147 ARG 4.40 1.00 1 148 ARG 4.63 0.54 1 149 ALA 2.91 2.13 1 152 VAL 5.93 2.73 1 153 LEU 2.30 1.64 1 154 VAL 6.82 1.02 1 155 ALA 5.40 1.28 1 156 SER 4.76 2.76 1 157 HIS 5.46 2.91 1 158 LEU 4.03 0.38 1 159 GLN 5.38 3.60 1 160 SER 5.54 1.63 1 161 PHE 4.05 3.08 1 162 LEU 3.00 0.82 1 163 GLU 4.50 2.64 1 164 VAL 6.28 2.03 1 166 TYR 5.03 0.25 1 167 ARG 5.03 3.43 1 168 VAL 8.93 2.01 1 169 LEU 3.77 1.01 1 170 ARG 4.79 2.32 1 171 HIS 4.16 2.40 1 172 LEU 1.63 -0.25 1 173 ALA 0.46 -0.83 1 stop_ save_