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 bmr4844_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.34 _LACS_plot.Line_1_terminator_val_y_1 -2.98 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.94 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.19 _LACS_plot.Line_2_terminator_val_x_2 7.90 _LACS_plot.Line_2_terminator_val_y_2 5.43 _LACS_plot.Y_axis_chem_shift_offset -0.13 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 188 HIS 3.92 -0.46 0 124 GLN 0.48 -2.91 0 11 ILE -2.62 -1.63 1 13 GLN 4.32 3.06 1 14 SER 2.65 2.00 1 15 ASP -1.27 -0.12 1 16 ALA -1.58 -0.99 1 17 LEU 2.55 0.40 1 20 ARG 0.23 -1.46 1 21 THR 1.35 0.73 1 22 THR -0.67 -0.57 1 24 MET -0.82 -0.73 1 26 VAL -3.50 -1.55 1 27 ALA 0.09 -0.19 1 28 ARG 3.39 3.36 1 29 LEU -4.24 -2.20 1 30 HIS -1.54 2.48 1 31 VAL 4.21 2.18 1 32 VAL 4.07 2.08 1 33 ASN -1.39 -1.14 1 34 GLN 6.09 1.89 1 35 HIS -2.69 -2.69 1 36 SER 1.06 0.94 1 37 MET 0.44 0.78 1 38 THR 0.24 0.72 1 39 HIS 0.51 2.01 1 40 VAL 0.11 -0.34 1 42 ASP 2.33 1.74 1 43 HIS 4.26 2.26 1 44 MET 2.38 1.39 1 45 GLU -5.68 -1.83 1 46 VAL -2.52 -1.43 1 47 ALA -7.34 -2.16 1 48 ILE -2.16 -0.69 1 49 PHE -6.77 -1.61 1 50 ALA -3.27 -0.31 1 51 MET -3.09 -1.20 1 54 PHE 2.24 -0.21 1 55 TRP 1.56 0.56 1 57 VAL 3.94 3.49 1 58 GLU 6.55 4.64 1 59 ARG 1.85 1.35 1 60 LEU 3.94 2.37 1 61 PHE 4.94 5.63 1 62 TRP 7.90 3.14 1 63 GLN 1.01 0.85 1 64 GLN 0.49 -1.01 1 67 VAL 4.08 2.31 1 68 TYR 0.01 2.28 1 69 SER -1.77 -0.24 1 70 THR -4.66 -1.26 1 71 ALA -5.20 -0.63 1 72 SER 0.74 0.93 1 74 TYR -5.92 -4.19 1 78 TYR -1.28 0.62 1 79 THR 0.12 2.71 1 83 THR -5.21 -3.13 1 84 TYR 5.87 4.96 1 85 ARG 4.67 3.36 1 86 GLU 3.19 2.40 1 87 VAL 6.09 3.96 1 89 THR -0.42 2.26 1 91 LYS 3.10 1.05 1 92 THR -1.59 0.11 1 94 HIS -1.53 2.48 1 95 ALA -3.01 -1.69 1 96 GLU 4.33 1.34 1 97 ALA -6.78 -1.69 1 98 VAL -4.82 -2.01 1 99 ARG -2.17 -1.80 1 100 VAL -2.02 -0.61 1 101 VAL -0.11 -0.97 1 102 PHE -5.73 -2.55 1 103 ASP -2.92 -1.86 1 105 ALA 1.69 1.00 1 106 VAL -0.03 1.71 1 107 VAL -4.83 -3.08 1 108 SER -4.63 -1.75 1 109 TYR 4.20 3.76 1 111 GLN 5.32 2.85 1 112 LEU 3.56 1.92 1 113 LEU 6.92 4.71 1 114 GLN 3.16 2.38 1 115 LEU 2.62 2.55 1 117 TRP 1.25 1.35 1 118 GLU -1.13 1.09 1 119 ASN -1.67 -0.09 1 120 HIS -1.51 -1.54 1 121 ASN -2.99 -1.11 1 123 ALA -1.44 0.48 1 126 MET -1.20 -0.28 1 127 ARG -0.65 -0.32 1 128 GLN 0.40 0.41 1 130 ASN 2.74 0.58 1 131 ASP 0.40 0.36 1 132 ILE 3.34 2.71 1 134 THR 3.37 0.96 1 135 GLN -0.97 -1.35 1 136 TYR 0.03 -0.62 1 137 ARG 0.87 -1.17 1 138 SER -2.92 0.53 1 139 ALA -0.87 0.37 1 140 ILE -2.32 -3.22 1 141 TYR 0.17 0.36 1 142 THR -1.31 0.14 1 143 LEU -6.90 -3.27 1 144 THR 5.53 4.23 1 145 THR 4.99 3.82 1 146 GLU 5.00 3.30 1 147 GLN 5.13 4.41 1 148 GLU 5.74 4.82 1 149 THR 3.19 2.74 1 150 ALA 3.40 3.11 1 151 ALA 5.97 4.78 1 152 LYS 4.29 3.45 1 153 GLU 4.88 3.98 1 154 SER 2.20 2.16 1 155 TYR 4.55 3.18 1 156 GLN 3.84 3.37 1 157 ARG 7.47 5.06 1 158 PHE 3.39 3.05 1 159 GLN 4.01 2.48 1 160 GLN 4.29 2.62 1 161 ALA 4.95 4.99 1 162 MET 5.15 3.35 1 163 ARG 4.08 3.04 1 164 ASP -0.36 -0.53 1 165 ALA -0.63 -0.77 1 167 ASN 0.06 -0.46 1 168 ASP 1.11 1.44 1 169 HIS 0.20 0.24 1 170 ASP 2.13 2.60 1 171 ILE 0.65 0.61 1 172 THR 2.43 3.64 1 173 THR -3.62 -1.93 1 174 GLU 0.32 -0.10 1 175 ILE -3.95 -0.91 1 176 GLN 0.58 1.33 1 178 ALA -0.81 -0.45 1 181 PHE -2.16 -1.82 1 182 TYR 2.70 2.39 1 183 TYR -2.24 -1.49 1 184 ALA 0.59 1.64 1 185 GLU 2.93 4.91 1 186 ASP 3.85 2.05 1 187 GLU -0.88 3.19 1 189 GLN 6.37 2.49 1 190 GLN 4.33 5.56 1 191 TYR 2.04 0.99 1 192 LEU 1.59 4.24 1 193 HIS 1.66 2.09 1 194 LYS -0.62 -0.85 1 195 ASN 0.20 -0.36 1 197 ASP 0.58 0.98 1 199 TYR -0.19 0.40 1 202 LEU 0.86 0.04 1 205 ILE -1.59 -0.75 1 207 VAL -0.93 -0.42 1 209 LEU 0.48 0.73 1 212 GLN 0.77 0.27 1 214 LEU 0.30 0.17 1 215 GLU 1.14 1.77 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4844_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.34 _LACS_plot.Line_1_terminator_val_y_1 4.36 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -1.05 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.81 _LACS_plot.Line_2_terminator_val_x_2 7.90 _LACS_plot.Line_2_terminator_val_y_2 -2.47 _LACS_plot.Y_axis_chem_shift_offset -0.13 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 188 HIS 3.92 -4.38 0 124 GLN 0.48 -3.39 0 11 ILE -2.62 0.99 1 13 GLN 4.32 -1.26 1 14 SER 2.65 -0.65 1 15 ASP -1.27 1.15 1 16 ALA -1.58 0.59 1 17 LEU 2.55 -2.15 1 20 ARG 0.23 -1.69 1 21 THR 1.35 -0.62 1 22 THR -0.67 0.10 1 24 MET -0.82 0.09 1 26 VAL -3.50 1.95 1 27 ALA 0.09 -0.28 1 28 ARG 3.39 -0.03 1 29 LEU -4.24 2.04 1 30 HIS -1.54 4.02 1 31 VAL 4.21 -2.03 1 32 VAL 4.07 -1.99 1 33 ASN -1.39 0.25 1 34 GLN 6.09 -4.20 1 35 HIS -2.69 0.00 1 36 SER 1.06 -0.12 1 37 MET 0.44 0.34 1 38 THR 0.24 0.48 1 39 HIS 0.51 1.50 1 40 VAL 0.11 -0.45 1 42 ASP 2.33 -0.59 1 43 HIS 4.26 -2.00 1 44 MET 2.38 -0.99 1 45 GLU -5.68 3.85 1 46 VAL -2.52 1.09 1 47 ALA -7.34 5.18 1 48 ILE -2.16 1.47 1 49 PHE -6.77 5.16 1 50 ALA -3.27 2.96 1 51 MET -3.09 1.89 1 54 PHE 2.24 -2.45 1 55 TRP 1.56 -1.00 1 57 VAL 3.94 -0.45 1 58 GLU 6.55 -1.91 1 59 ARG 1.85 -0.50 1 60 LEU 3.94 -1.57 1 61 PHE 4.94 0.69 1 62 TRP 7.90 -4.76 1 63 GLN 1.01 -0.16 1 64 GLN 0.49 -1.50 1 67 VAL 4.08 -1.77 1 68 TYR 0.01 2.27 1 69 SER -1.77 1.53 1 70 THR -4.66 3.40 1 71 ALA -5.20 4.57 1 72 SER 0.74 0.19 1 74 TYR -5.92 1.73 1 78 TYR -1.28 1.90 1 79 THR 0.12 2.59 1 83 THR -5.21 2.08 1 84 TYR 5.87 -0.91 1 85 ARG 4.67 -1.31 1 86 GLU 3.19 -0.79 1 87 VAL 6.09 -2.13 1 89 THR -0.42 2.68 1 91 LYS 3.10 -2.05 1 92 THR -1.59 1.70 1 94 HIS -1.53 4.01 1 95 ALA -3.01 1.32 1 96 GLU 4.33 -2.99 1 97 ALA -6.78 5.09 1 98 VAL -4.82 2.81 1 99 ARG -2.17 0.37 1 100 VAL -2.02 1.41 1 101 VAL -0.11 -0.86 1 102 PHE -5.73 3.18 1 103 ASP -2.92 1.06 1 105 ALA 1.69 -0.69 1 106 VAL -0.03 1.74 1 107 VAL -4.83 1.75 1 108 SER -4.63 2.88 1 109 TYR 4.20 -0.44 1 111 GLN 5.32 -2.47 1 112 LEU 3.56 -1.64 1 113 LEU 6.92 -2.21 1 114 GLN 3.16 -0.78 1 115 LEU 2.62 -0.07 1 117 TRP 1.25 0.10 1 118 GLU -1.13 2.22 1 119 ASN -1.67 1.58 1 120 HIS -1.51 -0.03 1 121 ASN -2.99 1.88 1 123 ALA -1.44 1.92 1 126 MET -1.20 0.92 1 127 ARG -0.65 0.33 1 128 GLN 0.40 0.01 1 130 ASN 2.74 -2.16 1 131 ASP 0.40 -0.04 1 132 ILE 3.34 -0.63 1 134 THR 3.37 -2.41 1 135 GLN -0.97 -0.38 1 136 TYR 0.03 -0.65 1 137 ARG 0.87 -2.04 1 138 SER -2.92 3.45 1 139 ALA -0.87 1.24 1 140 ILE -2.32 -0.90 1 141 TYR 0.17 0.19 1 142 THR -1.31 1.45 1 143 LEU -6.90 3.63 1 144 THR 5.53 -1.30 1 145 THR 4.99 -1.17 1 146 GLU 5.00 -1.70 1 147 GLN 5.13 -0.72 1 148 GLU 5.74 -0.92 1 149 THR 3.19 -0.45 1 150 ALA 3.40 -0.29 1 151 ALA 5.97 -1.19 1 152 LYS 4.29 -0.84 1 153 GLU 4.88 -0.90 1 154 SER 2.20 -0.04 1 155 TYR 4.55 -1.37 1 156 GLN 3.84 -0.47 1 157 ARG 7.47 -2.41 1 158 PHE 3.39 -0.34 1 159 GLN 4.01 -1.53 1 160 GLN 4.29 -1.67 1 161 ALA 4.95 0.04 1 162 MET 5.15 -1.80 1 163 ARG 4.08 -1.04 1 164 ASP -0.36 -0.17 1 165 ALA -0.63 -0.14 1 167 ASN 0.06 -0.52 1 168 ASP 1.11 0.33 1 169 HIS 0.20 0.04 1 170 ASP 2.13 0.47 1 171 ILE 0.65 -0.04 1 172 THR 2.43 1.21 1 173 THR -3.62 1.69 1 174 GLU 0.32 -0.42 1 175 ILE -3.95 3.04 1 176 GLN 0.58 0.75 1 178 ALA -0.81 0.36 1 181 PHE -2.16 0.34 1 182 TYR 2.70 -0.31 1 183 TYR -2.24 0.75 1 184 ALA 0.59 1.05 1 185 GLU 2.93 1.98 1 186 ASP 3.85 -1.80 1 187 GLU -0.88 4.07 1 189 GLN 6.37 -3.88 1 190 GLN 4.33 1.23 1 191 TYR 2.04 -1.05 1 192 LEU 1.59 2.65 1 193 HIS 1.66 0.43 1 194 LYS -0.62 -0.23 1 195 ASN 0.20 -0.56 1 197 ASP 0.58 0.40 1 199 TYR -0.19 0.59 1 202 LEU 0.86 -0.82 1 205 ILE -1.59 0.84 1 207 VAL -0.93 0.51 1 209 LEU 0.48 0.25 1 212 GLN 0.77 -0.50 1 214 LEU 0.30 -0.13 1 215 GLU 1.14 0.63 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4844_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.34 _LACS_plot.Line_1_terminator_val_y_1 -3.25 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.59 _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 7.90 _LACS_plot.Line_2_terminator_val_y_2 2.72 _LACS_plot.Y_axis_chem_shift_offset 0.25 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 107 VAL -4.83 -5.75 0 143 LEU -6.90 0.82 0 30 HIS -1.54 4.27 0 11 ILE -2.62 -1.25 1 13 GLN 4.32 1.89 1 14 SER 2.65 -0.21 1 15 ASP -1.27 -1.55 1 16 ALA -1.58 -0.02 1 17 LEU 2.55 1.46 1 20 ARG 0.23 -0.67 1 21 THR 1.35 0.10 1 22 THR -0.67 -1.38 1 24 MET -0.82 0.38 1 26 VAL -3.50 -1.37 1 27 ALA 0.09 -1.08 1 28 ARG 3.39 2.07 1 29 LEU -4.24 -1.06 1 31 VAL 4.21 -0.38 1 32 VAL 4.07 1.00 1 33 ASN -1.39 -0.34 1 34 GLN 6.09 -1.47 1 35 HIS -2.69 0.41 1 36 SER 1.06 2.37 1 37 MET 0.44 1.31 1 38 THR 0.24 0.06 1 39 HIS 0.51 -0.06 1 40 VAL 0.11 -1.89 1 42 ASP 2.33 -0.10 1 43 HIS 4.26 0.08 1 44 MET 2.38 -2.71 1 45 GLU -5.68 -4.30 1 46 VAL -2.52 -2.13 1 47 ALA -7.34 -3.33 1 48 ILE -2.16 -2.39 1 49 PHE -6.77 -2.62 1 50 ALA -3.27 -2.18 1 51 MET -3.09 -3.46 1 54 PHE 2.24 0.76 1 55 TRP 1.56 4.36 1 57 VAL 3.94 0.32 1 58 GLU 6.55 0.99 1 59 ARG 1.85 -0.69 1 60 LEU 3.94 0.70 1 61 PHE 4.94 2.73 1 62 TRP 7.90 1.94 1 63 GLN 1.01 -0.09 1 64 GLN 0.49 -0.25 1 67 VAL 4.08 -1.04 1 68 TYR 0.01 0.26 1 69 SER -1.77 -3.58 1 70 THR -4.66 -2.34 1 71 ALA -5.20 -0.73 1 72 SER 0.74 0.63 1 74 TYR -5.92 -2.19 1 78 TYR -1.28 0.67 1 79 THR 0.12 -0.84 1 83 THR -5.21 0.64 1 84 TYR 5.87 2.93 1 85 ARG 4.67 3.41 1 86 GLU 3.19 3.86 1 87 VAL 6.09 4.17 1 89 THR -0.42 1.98 1 91 LYS 3.10 -0.92 1 92 THR -1.59 1.26 1 94 HIS -1.53 1.19 1 95 ALA -3.01 0.28 1 96 GLU 4.33 -0.40 1 97 ALA -6.78 -3.46 1 98 VAL -4.82 -2.71 1 99 ARG -2.17 -1.55 1 100 VAL -2.02 -2.07 1 101 VAL -0.11 0.08 1 102 PHE -5.73 -5.08 1 103 ASP -2.92 0.38 1 105 ALA 1.69 -0.07 1 106 VAL -0.03 -1.32 1 108 SER -4.63 0.74 1 109 TYR 4.20 3.47 1 111 GLN 5.32 1.06 1 112 LEU 3.56 0.42 1 113 LEU 6.92 0.56 1 114 GLN 3.16 1.58 1 115 LEU 2.62 0.45 1 117 TRP 1.25 1.49 1 118 GLU -1.13 -2.76 1 119 ASN -1.67 -2.38 1 120 HIS -1.51 1.10 1 121 ASN -2.99 -0.25 1 123 ALA -1.44 0.16 1 124 GLN 0.48 -0.81 1 126 MET -1.20 -2.94 1 127 ARG -0.65 -0.39 1 128 GLN 0.40 -1.10 1 130 ASN 2.74 -3.25 1 131 ASP 0.40 -0.89 1 132 ILE 3.34 2.78 1 134 THR 3.37 -2.06 1 135 GLN -0.97 -1.50 1 136 TYR 0.03 -4.65 1 137 ARG 0.87 2.01 1 138 SER -2.92 -3.97 1 139 ALA -0.87 -2.53 1 140 ILE -2.32 0.84 1 141 TYR 0.17 1.05 1 142 THR -1.31 -0.53 1 144 THR 5.53 1.51 1 145 THR 4.99 3.82 1 146 GLU 5.00 1.90 1 147 GLN 5.13 1.46 1 148 GLU 5.74 2.08 1 149 THR 3.19 3.19 1 150 ALA 3.40 3.30 1 151 ALA 5.97 2.74 1 152 LYS 4.29 2.75 1 153 GLU 4.88 -0.25 1 154 SER 2.20 0.83 1 155 TYR 4.55 3.53 1 156 GLN 3.84 2.60 1 157 ARG 7.47 0.99 1 158 PHE 3.39 2.78 1 159 GLN 4.01 0.84 1 160 GLN 4.29 3.29 1 161 ALA 4.95 1.47 1 162 MET 5.15 5.05 1 163 ARG 4.08 0.66 1 164 ASP -0.36 -0.14 1 165 ALA -0.63 -0.67 1 167 ASN 0.06 -0.01 1 168 ASP 1.11 0.53 1 169 HIS 0.20 -0.22 1 170 ASP 2.13 0.86 1 171 ILE 0.65 0.65 1 172 THR 2.43 -1.36 1 173 THR -3.62 -2.45 1 174 GLU 0.32 -0.66 1 175 ILE -3.95 -1.99 1 176 GLN 0.58 1.63 1 178 ALA -0.81 -1.93 1 181 PHE -2.16 -2.07 1 182 TYR 2.70 -0.64 1 183 TYR -2.24 -1.72 1 184 ALA 0.59 1.00 1 185 GLU 2.93 1.77 1 186 ASP 3.85 -0.21 1 187 GLU -0.88 2.81 1 188 HIS 3.92 0.39 1 189 GLN 6.37 1.07 1 190 GLN 4.33 2.24 1 191 TYR 2.04 0.71 1 192 LEU 1.59 2.00 1 193 HIS 1.66 -0.34 1 194 LYS -0.62 -1.90 1 195 ASN 0.20 0.37 1 197 ASP 0.58 -1.57 1 199 TYR -0.19 -0.52 1 202 LEU 0.86 0.29 1 205 ILE -1.59 -1.43 1 207 VAL 0.48 0.42 1 212 GLN 0.77 -0.31 1 214 LEU 0.30 -0.47 1 215 GLU 1.14 0.32 1 stop_ save_