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 bmr5793_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.57 _LACS_plot.Line_1_terminator_val_y_1 -3.53 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.07 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.29 _LACS_plot.Line_2_terminator_val_x_2 7.05 _LACS_plot.Line_2_terminator_val_y_2 4.62 _LACS_plot.Y_axis_chem_shift_offset 0.78 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 103 HIS -2.37 3.83 0 10 LEU 3.98 2.14 1 12 ARG 5.02 3.23 1 13 ALA 4.04 2.06 1 14 LEU 2.51 1.92 1 15 SER 3.33 2.04 1 16 ARG 0.86 -0.15 1 17 LEU 2.25 -0.83 1 20 ILE 3.08 -1.69 1 24 THR 6.01 3.81 1 25 ALA 3.56 2.98 1 26 GLN 4.14 2.94 1 27 ARG 4.79 3.09 1 28 LEU 2.57 2.00 1 29 ALA 3.50 2.58 1 30 LEU 3.69 2.25 1 31 HIS 4.29 5.90 1 32 LEU 3.63 2.47 1 33 ALA 3.08 1.51 1 34 PHE 0.56 0.27 1 35 HIS 2.43 -0.25 1 36 LYS 4.82 3.08 1 37 GLU 5.34 2.90 1 38 GLU 3.71 2.15 1 39 ALA 4.77 2.81 1 40 GLU 3.46 2.26 1 41 ALA 3.76 1.94 1 42 LEU 4.55 2.24 1 43 ALA 4.91 3.04 1 44 GLU 3.59 2.37 1 45 ALA 2.84 1.14 1 46 LEU 3.78 1.93 1 47 GLU 3.98 2.03 1 49 ILE -0.10 -0.96 1 50 LYS 4.23 2.76 1 51 ARG 1.05 0.04 1 52 VAL 1.33 -0.29 1 53 ARG -2.93 -2.17 1 54 ALA -0.83 -1.35 1 56 ARG 3.93 2.33 1 57 GLU 0.21 0.98 1 60 ASN -2.26 -0.82 1 61 LEU 2.20 1.40 1 62 ALA -4.75 -1.99 1 63 GLU -0.85 -1.51 1 65 GLU 2.35 2.43 1 66 LEU -6.18 -3.18 1 69 ILE 5.12 2.51 1 71 GLN -0.21 0.37 1 72 ASP 0.31 -0.12 1 73 GLU 2.22 1.17 1 74 ASP 0.39 -0.10 1 75 ARG 0.06 -2.44 1 76 ASP -0.11 -1.83 1 77 ARG 4.19 1.06 1 78 SER 0.39 0.67 1 79 LEU -4.60 -1.62 1 80 LEU -5.88 -2.19 1 81 ALA -2.46 -2.73 1 82 VAL -0.45 -1.09 1 83 VAL -7.57 -4.96 1 84 GLU 2.69 2.91 1 85 SER -6.48 -2.92 1 86 VAL 5.45 3.25 1 87 ALA 4.64 2.59 1 88 ASP 3.96 2.72 1 89 LEU 6.39 4.73 1 90 TYR 5.38 2.80 1 91 ALA 4.00 2.45 1 92 LEU 4.62 3.01 1 93 GLU 3.06 1.61 1 94 ARG 3.48 2.39 1 95 SER 2.61 2.79 1 97 GLU -1.31 -1.32 1 98 PHE -0.94 0.29 1 99 ARG -0.78 -2.21 1 101 LEU -3.58 -2.43 1 102 TYR -6.62 -1.00 1 104 VAL 1.11 -1.08 1 105 LEU 0.92 1.50 1 108 ALA -4.31 -2.73 1 109 LEU 1.33 0.20 1 110 ASN 0.44 -0.60 1 112 LEU 3.82 1.72 1 113 GLU -1.79 -1.83 1 115 ILE 1.47 -1.14 1 118 LYS 3.62 1.48 1 119 GLU 2.75 1.93 1 120 LEU -2.50 -2.05 1 121 ASN 1.94 -0.83 1 122 LEU 2.43 1.30 1 123 GLU 4.62 2.97 1 125 LEU 4.53 1.71 1 126 PHE 3.84 0.71 1 127 ARG 2.63 0.92 1 128 ARG 1.06 0.02 1 129 LEU 1.67 -0.11 1 130 GLU 3.65 1.73 1 132 VAL 2.57 0.76 1 133 GLU -1.40 -0.32 1 134 GLU -4.16 -2.06 1 135 VAL -2.75 -2.82 1 136 VAL -1.66 -2.71 1 137 LEU 0.56 -2.30 1 138 ALA 0.55 -2.13 1 139 THR 1.57 -0.35 1 140 SER 1.51 1.29 1 141 MET 0.95 -1.95 1 142 THR -4.30 -1.95 1 143 VAL 6.41 4.28 1 144 GLU 5.85 3.14 1 146 GLU 3.47 2.29 1 147 ALA 4.32 2.56 1 148 THR 7.05 5.38 1 149 ALA 5.54 2.82 1 150 LEU 4.83 2.98 1 151 TYR 3.37 2.89 1 152 LEU 2.60 1.92 1 153 ALA 4.68 3.13 1 154 GLU 3.67 2.25 1 155 GLU 2.16 1.40 1 156 LEU 4.41 2.29 1 157 LYS 6.00 3.81 1 158 LYS 4.11 2.33 1 159 ARG 0.75 -0.79 1 161 VAL -1.94 -2.14 1 162 ARG 1.69 0.62 1 163 VAL -3.93 -3.17 1 164 THR -5.73 -2.83 1 165 ARG -5.40 -2.35 1 167 ALA -0.34 -2.24 1 168 TYR 0.88 0.39 1 170 LEU 0.13 -0.48 1 172 VAL 1.89 0.22 1 176 LEU 4.38 2.02 1 177 GLU 2.58 1.17 1 178 TYR 0.68 -0.54 1 179 ALA -0.81 -1.11 1 180 ASP -1.07 -0.52 1 181 GLU 5.03 3.58 1 182 VAL 5.09 2.89 1 183 THR 5.89 1.80 1 184 LEU 4.04 2.16 1 186 ARG 4.03 2.22 1 187 ALA 2.74 1.24 1 188 LEU 3.49 1.91 1 189 GLU 3.10 2.17 1 191 ARG 1.02 -0.37 1 192 ARG -2.86 -1.72 1 194 VAL 0.64 0.20 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5793_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.57 _LACS_plot.Line_1_terminator_val_y_1 4.04 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -2.07 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.29 _LACS_plot.Line_2_terminator_val_x_2 7.05 _LACS_plot.Line_2_terminator_val_y_2 -2.43 _LACS_plot.Y_axis_chem_shift_offset 0.78 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 103 HIS -2.37 6.20 0 10 LEU 3.98 -1.84 1 12 ARG 5.02 -1.79 1 13 ALA 4.04 -1.98 1 14 LEU 2.51 -0.59 1 15 SER 3.33 -1.29 1 16 ARG 0.86 -1.01 1 17 LEU 2.25 -3.08 1 20 ILE 3.08 -4.77 1 24 THR 6.01 -2.20 1 25 ALA 3.56 -0.58 1 26 GLN 4.14 -1.20 1 27 ARG 4.79 -1.70 1 28 LEU 2.57 -0.57 1 29 ALA 3.50 -0.92 1 30 LEU 3.69 -1.44 1 31 HIS 4.29 1.61 1 32 LEU 3.63 -1.16 1 33 ALA 3.08 -1.57 1 34 PHE 0.56 -0.29 1 35 HIS 2.43 -2.68 1 36 LYS 4.82 -1.74 1 37 GLU 5.34 -2.44 1 38 GLU 3.71 -1.56 1 39 ALA 4.77 -1.96 1 40 GLU 3.46 -1.20 1 41 ALA 3.76 -1.82 1 42 LEU 4.55 -2.31 1 43 ALA 4.91 -1.87 1 44 GLU 3.59 -1.22 1 45 ALA 2.84 -1.70 1 46 LEU 3.78 -1.85 1 47 GLU 3.98 -1.95 1 49 ILE -0.10 -0.86 1 50 LYS 4.23 -1.47 1 51 ARG 1.05 -1.01 1 52 VAL 1.33 -1.62 1 53 ARG -2.93 0.76 1 54 ALA -0.83 -0.52 1 56 ARG 3.93 -1.60 1 57 GLU 0.21 0.77 1 60 ASN -2.26 1.44 1 61 LEU 2.20 -0.80 1 62 ALA -4.75 2.76 1 63 GLU -0.85 -0.66 1 65 GLU 2.35 0.08 1 66 LEU -6.18 3.00 1 69 ILE 5.12 -2.61 1 71 GLN -0.21 0.58 1 72 ASP 0.31 -0.43 1 73 GLU 2.22 -1.05 1 74 ASP 0.39 -0.49 1 75 ARG 0.06 -2.50 1 76 ASP -0.11 -1.72 1 77 ARG 4.19 -3.13 1 78 SER 0.39 0.28 1 79 LEU -4.60 2.98 1 80 LEU -5.88 3.69 1 81 ALA -2.46 -0.27 1 82 VAL -0.45 -0.64 1 83 VAL -7.57 2.61 1 84 GLU 2.69 0.22 1 85 SER -6.48 3.56 1 86 VAL 5.45 -2.20 1 87 ALA 4.64 -2.05 1 88 ASP 3.96 -1.24 1 89 LEU 6.39 -1.66 1 90 TYR 5.38 -2.58 1 91 ALA 4.00 -1.55 1 92 LEU 4.62 -1.61 1 93 GLU 3.06 -1.45 1 94 ARG 3.48 -1.09 1 95 SER 2.61 0.18 1 97 GLU -1.31 -0.01 1 98 PHE -0.94 1.23 1 99 ARG -0.78 -1.43 1 101 LEU -3.58 1.15 1 102 TYR -6.62 5.62 1 104 VAL 1.11 -2.19 1 105 LEU 0.92 0.58 1 108 ALA -4.31 1.58 1 109 LEU 1.33 -1.13 1 110 ASN 0.44 -1.04 1 112 LEU 3.82 -2.10 1 113 GLU -1.79 -0.04 1 115 ILE 1.47 -2.61 1 118 LYS 3.62 -2.14 1 119 GLU 2.75 -0.82 1 120 LEU -2.50 0.45 1 121 ASN 1.94 -2.77 1 122 LEU 2.43 -1.13 1 123 GLU 4.62 -1.65 1 125 LEU 4.53 -2.82 1 126 PHE 3.84 -3.13 1 127 ARG 2.63 -1.71 1 128 ARG 1.06 -1.04 1 129 LEU 1.67 -1.78 1 130 GLU 3.65 -1.92 1 132 VAL 2.57 -1.81 1 133 GLU -1.40 1.08 1 134 GLU -4.16 2.10 1 135 VAL -2.75 -0.07 1 136 VAL -1.66 -1.05 1 137 LEU 0.56 -2.86 1 138 ALA 0.55 -2.68 1 139 THR 1.57 -1.92 1 140 SER 1.51 -0.22 1 141 MET 0.95 -2.90 1 142 THR -4.30 2.35 1 143 VAL 6.41 -2.13 1 144 GLU 5.85 -2.71 1 146 GLU 3.47 -1.18 1 147 ALA 4.32 -1.76 1 148 THR 7.05 -1.67 1 149 ALA 5.54 -2.72 1 150 LEU 4.83 -1.85 1 151 TYR 3.37 -0.48 1 152 LEU 2.60 -0.68 1 153 ALA 4.68 -1.55 1 154 GLU 3.67 -1.42 1 155 GLU 2.16 -0.76 1 156 LEU 4.41 -2.12 1 157 LYS 6.00 -2.19 1 158 LYS 4.11 -1.78 1 159 ARG 0.75 -1.54 1 161 VAL -1.94 -0.20 1 162 ARG 1.69 -1.07 1 163 VAL -3.93 0.76 1 164 THR -5.73 2.90 1 165 ARG -5.40 3.05 1 167 ALA -0.34 -1.90 1 168 TYR 0.88 -0.49 1 170 LEU 0.13 -0.61 1 172 VAL 1.89 -1.67 1 176 LEU 4.38 -2.36 1 177 GLU 2.58 -1.41 1 178 TYR 0.68 -1.22 1 179 ALA -0.81 -0.30 1 180 ASP -1.07 0.55 1 181 GLU 5.03 -1.45 1 182 VAL 5.09 -2.20 1 183 THR 5.89 -4.09 1 184 LEU 4.04 -1.88 1 186 ARG 4.03 -1.81 1 187 ALA 2.74 -1.50 1 188 LEU 3.49 -1.58 1 189 GLU 3.10 -0.93 1 191 ARG 1.02 -1.39 1 192 ARG -2.86 1.14 1 194 VAL 0.64 -0.44 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5793_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.57 _LACS_plot.Line_1_terminator_val_y_1 -2.92 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.69 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.03 _LACS_plot.Line_2_terminator_val_x_2 7.05 _LACS_plot.Line_2_terminator_val_y_2 2.70 _LACS_plot.Y_axis_chem_shift_offset 0.14 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 83 VAL -7.57 -0.11 0 102 TYR -6.62 1.26 0 10 LEU 3.98 -0.37 1 12 ARG 5.02 2.39 1 13 ALA 4.04 2.46 1 14 LEU 2.51 0.44 1 15 SER 3.33 -0.18 1 16 ARG 0.86 0.51 1 17 LEU 2.25 -1.23 1 20 ILE 3.08 -0.94 1 24 THR 6.01 1.24 1 25 ALA 3.56 0.75 1 26 GLN 4.14 1.88 1 27 ARG 4.79 3.78 1 28 LEU 2.57 0.67 1 29 ALA 3.50 0.98 1 30 LEU 3.69 0.93 1 31 HIS 4.29 5.51 1 32 LEU 3.63 -0.79 1 33 ALA 3.08 0.19 1 34 PHE 0.56 -0.20 1 35 HIS 2.43 0.73 1 36 LYS 4.82 2.34 1 37 GLU 5.34 3.46 1 38 GLU 3.71 2.86 1 39 ALA 4.77 1.49 1 40 GLU 3.46 2.58 1 41 ALA 3.76 3.62 1 42 LEU 4.55 -0.08 1 43 ALA 4.91 2.84 1 44 GLU 3.59 3.06 1 45 ALA 2.84 3.08 1 46 LEU 3.78 1.37 1 47 GLU 3.98 3.37 1 49 ILE -0.10 0.55 1 50 LYS 4.23 0.90 1 51 ARG 1.05 0.43 1 52 VAL 1.33 -1.17 1 53 ARG -2.93 -2.36 1 54 ALA -0.83 -0.32 1 56 ARG 3.93 0.06 1 57 GLU 0.21 1.58 1 60 ASN -2.26 -0.35 1 61 LEU 2.20 -1.71 1 62 ALA -4.75 -2.19 1 63 GLU -0.85 -0.47 1 65 GLU 2.35 -0.84 1 66 LEU -6.18 0.16 1 69 ILE 5.12 1.48 1 71 GLN -0.21 -0.63 1 72 ASP 0.31 1.09 1 73 GLU 2.22 0.15 1 74 ASP 0.39 0.51 1 75 ARG 0.06 -0.78 1 76 ASP -0.11 -0.28 1 77 ARG 4.19 -0.37 1 78 SER 0.39 -1.57 1 79 LEU -4.60 -3.18 1 80 LEU -5.88 -3.03 1 81 ALA -2.46 -1.86 1 82 VAL -0.45 -1.73 1 84 GLU 2.69 1.12 1 85 SER -6.48 -0.22 1 86 VAL 5.45 0.50 1 87 ALA 4.64 2.64 1 88 ASP 3.96 1.13 1 89 LEU 6.39 1.09 1 90 TYR 5.38 2.30 1 91 ALA 4.00 1.84 1 92 LEU 4.62 3.71 1 93 GLU 3.06 3.37 1 94 ARG 3.48 1.54 1 95 SER 2.61 0.97 1 97 GLU -1.31 -1.38 1 98 PHE -0.94 -1.01 1 99 ARG -0.78 -0.23 1 101 LEU -3.58 -1.88 1 103 HIS -2.37 -0.62 1 104 VAL 1.11 0.13 1 105 LEU 0.92 0.03 1 108 ALA -4.31 -1.40 1 109 LEU 1.33 -0.76 1 110 ASN 0.44 0.43 1 112 LEU 3.82 0.87 1 113 GLU -1.79 -0.32 1 115 ILE 1.47 -1.06 1 118 LYS 3.62 1.38 1 119 GLU 2.75 -0.05 1 120 LEU -2.50 -1.13 1 121 ASN 1.94 1.24 1 122 LEU 2.43 0.38 1 123 GLU 4.62 2.89 1 125 LEU 4.53 0.25 1 126 PHE 3.84 2.01 1 127 ARG 2.63 0.83 1 128 ARG 1.06 -0.57 1 129 LEU 1.67 0.42 1 130 GLU 3.65 1.14 1 132 VAL 2.57 -0.80 1 133 GLU -1.40 -0.30 1 134 GLU -4.16 -3.26 1 135 VAL -2.75 -1.79 1 136 VAL -1.66 0.08 1 137 LEU 0.56 -3.02 1 138 ALA 0.55 -1.41 1 139 THR 1.57 0.29 1 140 SER 1.51 -0.34 1 141 MET 0.95 0.61 1 142 THR -4.30 0.33 1 143 VAL 6.41 3.11 1 144 GLU 5.85 4.19 1 146 GLU 3.47 2.11 1 147 ALA 4.32 3.92 1 148 THR 7.05 0.70 1 149 ALA 5.54 1.07 1 150 LEU 4.83 2.10 1 151 TYR 3.37 2.05 1 152 LEU 2.60 1.12 1 153 ALA 4.68 1.21 1 154 GLU 3.67 2.94 1 155 GLU 2.16 2.97 1 156 LEU 4.41 2.00 1 157 LYS 6.00 4.69 1 158 LYS 4.11 1.10 1 159 ARG 0.75 0.20 1 161 VAL -1.94 -1.09 1 162 ARG 1.69 -1.32 1 163 VAL -3.93 -0.07 1 164 THR -5.73 -1.28 1 165 ARG -5.40 -0.25 1 167 ALA -0.34 -1.50 1 168 TYR 0.88 0.84 1 170 LEU 0.13 -0.69 1 172 VAL 1.89 0.50 1 176 LEU 4.38 0.61 1 177 GLU 2.58 -0.26 1 178 TYR 0.68 -0.29 1 179 ALA -0.81 -1.08 1 180 ASP -1.07 -0.14 1 181 GLU 5.03 2.22 1 182 VAL 5.09 2.40 1 184 LEU 4.04 1.06 1 186 ARG 4.03 3.14 1 187 ALA 2.74 2.57 1 188 LEU 3.49 2.36 1 189 GLU 3.10 1.65 1 191 ARG 1.02 -1.97 1 192 ARG -2.86 -0.83 1 194 VAL 0.64 4.33 1 stop_ save_