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 bmr19490_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.46 _LACS_plot.Line_1_terminator_val_y_1 -2.40 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.99 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.27 _LACS_plot.Line_2_terminator_val_x_2 8.08 _LACS_plot.Line_2_terminator_val_y_2 6.23 _LACS_plot.Y_axis_chem_shift_offset -0.20 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 108 LYS 3.31 -0.53 0 162 TRP -6.46 -4.82 0 110 HIS 3.95 6.41 0 165 ILE -0.77 -3.39 0 148 ASP -3.87 1.06 0 10 ARG -1.23 -0.86 1 13 VAL -0.42 0.10 1 16 ASP 6.80 4.47 1 19 LEU 2.04 2.82 1 20 ALA -4.81 -2.23 1 21 ASP 1.17 -0.40 1 22 PHE 4.02 4.23 1 23 GLU 5.19 3.58 1 24 ALA 2.94 3.12 1 26 LEU 4.35 3.52 1 27 LEU 4.88 3.56 1 28 ARG 4.52 3.85 1 30 PHE 5.01 5.57 1 31 ARG 5.33 3.26 1 32 ARG 3.08 2.64 1 33 ARG 1.76 1.88 1 34 PHE 0.64 -0.69 1 36 GLU 0.28 -0.10 1 37 GLU 0.20 -0.08 1 39 HIS -4.58 -0.88 1 40 VAL -0.31 -0.65 1 42 LEU 6.93 4.32 1 43 GLU 3.84 2.78 1 44 GLN -1.14 -0.58 1 45 ARG 2.43 0.21 1 46 ARG -2.54 -0.11 1 48 PHE 4.14 4.62 1 49 LEU -0.71 -1.75 1 50 ALA 4.71 3.81 1 51 ARG 5.27 4.52 1 52 GLU 2.46 1.70 1 53 GLN 5.74 3.98 1 54 TYR 6.95 5.54 1 55 ARG 3.60 3.12 1 56 ALA 2.29 1.42 1 57 LEU 3.63 3.06 1 58 ARG -1.48 2.56 1 60 ASP 2.55 2.06 1 61 LEU 3.33 2.19 1 62 ALA 4.11 3.28 1 63 ASP 3.51 2.72 1 64 LYS 5.27 4.19 1 65 VAL 6.26 4.59 1 66 ALA 3.10 1.85 1 67 SER 3.51 3.19 1 68 VAL 5.29 3.69 1 69 TYR 1.01 -0.71 1 70 GLU 0.25 0.28 1 71 ALA -0.05 0.32 1 74 PHE 5.32 4.92 1 75 PHE 5.47 5.19 1 76 LEU 3.02 2.80 1 77 ASP 0.17 0.47 1 78 LEU 1.59 0.79 1 79 GLU -0.50 0.40 1 84 ALA -0.66 2.70 1 85 LEU 5.97 2.72 1 86 ASP 3.76 3.18 1 87 ALA 3.95 3.35 1 89 ARG 5.54 4.80 1 90 GLU 3.73 3.44 1 91 MET 3.00 4.47 1 92 ASN 1.46 3.08 1 93 ASP -0.61 0.39 1 94 LEU 1.33 0.82 1 96 ASP 2.25 1.56 1 97 THR -0.85 1.14 1 98 GLN -3.65 -1.44 1 99 VAL -2.32 -0.63 1 103 THR -1.65 -0.64 1 106 LEU -0.52 -0.20 1 107 LEU 4.65 3.25 1 109 TYR 1.47 1.63 1 111 HIS -0.46 1.90 1 113 VAL 8.08 5.70 1 115 GLU 2.69 3.94 1 116 LYS 5.37 5.35 1 117 TYR 4.84 5.38 1 118 ARG 3.48 2.96 1 120 VAL 7.55 6.08 1 121 GLU 4.98 4.31 1 122 GLN 3.35 2.94 1 123 HIS 2.99 4.02 1 124 LEU 0.25 0.59 1 127 GLN 5.13 3.18 1 128 PHE 3.07 3.66 1 129 VAL 6.01 4.28 1 130 GLU 1.83 1.92 1 131 ARG -0.47 -1.87 1 132 ILE 2.11 2.45 1 133 ILE -1.78 0.38 1 134 LEU -2.51 -1.46 1 135 THR -2.00 -2.51 1 136 ARG 2.96 1.03 1 137 ASP -2.47 -1.22 1 138 LYS 3.85 2.16 1 139 THR 4.86 3.43 1 140 VAL 1.76 -1.45 1 141 VAL 1.16 -0.26 1 142 LEU -1.19 -0.61 1 149 ASP 1.09 1.46 1 150 LYS 3.16 2.65 1 151 ASP 3.24 3.33 1 152 THR -2.42 -0.47 1 153 VAL 1.74 0.35 1 154 ARG -4.85 -1.81 1 156 GLN 2.94 2.67 1 157 GLU -1.09 -1.87 1 158 GLU 2.69 2.70 1 159 THR -1.25 -1.48 1 161 SER 2.07 2.67 1 163 GLU -2.40 -1.59 1 164 HIS -4.18 -0.55 1 166 LEU 0.03 -0.12 1 167 PHE -1.41 0.58 1 168 THR 5.62 4.17 1 171 HIS -1.71 1.81 1 172 ASN -1.32 -0.52 1 174 HIS 0.56 1.92 1 175 LEU 0.72 0.52 1 176 VAL 1.85 0.39 1 177 LEU -0.02 -0.27 1 180 THR 1.18 0.67 1 181 ARG -2.12 -0.92 1 182 ARG -2.20 0.76 1 183 ARG -6.08 -1.88 1 184 LEU -4.40 -2.13 1 185 LEU 3.53 2.90 1 186 SER 0.29 0.11 1 187 TRP 2.84 2.58 1 188 SER 0.92 1.29 1 189 ASP -2.66 -0.86 1 190 ASN 2.33 0.14 1 191 TRP 1.68 1.09 1 192 ARG 6.93 4.65 1 193 GLU 3.14 2.74 1 194 ILE 5.71 4.15 1 195 LEU 6.15 5.45 1 196 ASP 5.01 3.80 1 197 SER 3.14 3.18 1 198 LYS 0.01 -2.06 1 199 ARG 2.61 1.91 1 201 ALA 0.06 0.44 1 202 ALA 0.22 0.45 1 203 GLN 0.40 0.47 1 204 ARG 0.46 0.47 1 205 GLU 0.69 1.83 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19490_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.46 _LACS_plot.Line_1_terminator_val_y_1 4.06 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.01 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.73 _LACS_plot.Line_2_terminator_val_x_2 8.08 _LACS_plot.Line_2_terminator_val_y_2 -1.85 _LACS_plot.Y_axis_chem_shift_offset -0.20 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 108 LYS 3.31 -3.84 0 162 TRP -6.46 1.64 0 110 HIS 3.95 2.46 0 165 ILE -0.77 -2.62 0 148 ASP -3.87 4.93 0 10 ARG -1.23 0.37 1 13 VAL -0.42 0.52 1 16 ASP 6.80 -2.33 1 19 LEU 2.04 0.78 1 20 ALA -4.81 2.58 1 21 ASP 1.17 -1.57 1 22 PHE 4.02 0.21 1 23 GLU 5.19 -1.61 1 24 ALA 2.94 0.18 1 26 LEU 4.35 -0.83 1 27 LEU 4.88 -1.32 1 28 ARG 4.52 -0.67 1 30 PHE 5.01 0.56 1 31 ARG 5.33 -2.07 1 32 ARG 3.08 -0.44 1 33 ARG 1.76 0.12 1 34 PHE 0.64 -1.33 1 36 GLU 0.28 -0.38 1 37 GLU 0.20 -0.28 1 39 HIS -4.58 3.70 1 40 VAL -0.31 -0.34 1 42 LEU 6.93 -2.61 1 43 GLU 3.84 -1.06 1 44 GLN -1.14 0.56 1 45 ARG 2.43 -2.22 1 46 ARG -2.54 2.43 1 48 PHE 4.14 0.48 1 49 LEU -0.71 -1.04 1 50 ALA 4.71 -0.90 1 51 ARG 5.27 -0.75 1 52 GLU 2.46 -0.76 1 53 GLN 5.74 -1.76 1 54 TYR 6.95 -1.41 1 55 ARG 3.60 -0.48 1 56 ALA 2.29 -0.87 1 57 LEU 3.63 -0.57 1 58 ARG -1.48 4.04 1 60 ASP 2.55 -0.49 1 61 LEU 3.33 -1.14 1 62 ALA 4.11 -0.83 1 63 ASP 3.51 -0.79 1 64 LYS 5.27 -1.08 1 65 VAL 6.26 -1.67 1 66 ALA 3.10 -1.25 1 67 SER 3.51 -0.32 1 68 VAL 5.29 -1.60 1 69 TYR 1.01 -1.72 1 70 GLU 0.25 0.03 1 71 ALA -0.05 0.37 1 74 PHE 5.32 -0.40 1 75 PHE 5.47 -0.28 1 76 LEU 3.02 -0.22 1 77 ASP 0.17 0.30 1 78 LEU 1.59 -0.80 1 79 GLU -0.50 0.90 1 84 ALA -0.66 3.36 1 85 LEU 5.97 -3.25 1 86 ASP 3.76 -0.58 1 87 ALA 3.95 -0.60 1 89 ARG 5.54 -0.74 1 90 GLU 3.73 -0.29 1 91 MET 3.00 1.47 1 92 ASN 1.46 1.62 1 93 ASP -0.61 1.00 1 94 LEU 1.33 -0.51 1 96 ASP 2.25 -0.69 1 97 THR -0.85 1.99 1 98 GLN -3.65 2.21 1 99 VAL -2.32 1.69 1 103 THR -1.65 1.01 1 106 LEU -0.52 0.32 1 107 LEU 4.65 -1.40 1 109 TYR 1.47 0.16 1 111 HIS -0.46 2.36 1 113 VAL 8.08 -2.38 1 115 GLU 2.69 1.25 1 116 LYS 5.37 -0.02 1 117 TYR 4.84 0.54 1 118 ARG 3.48 -0.52 1 120 VAL 7.55 -1.47 1 121 GLU 4.98 -0.67 1 122 GLN 3.35 -0.41 1 123 HIS 2.99 1.03 1 124 LEU 0.25 0.34 1 127 GLN 5.13 -1.95 1 128 PHE 3.07 0.59 1 129 VAL 6.01 -1.73 1 130 GLU 1.83 0.09 1 131 ARG -0.47 -1.40 1 132 ILE 2.11 0.34 1 133 ILE -1.78 2.16 1 134 LEU -2.51 1.05 1 135 THR -2.00 -0.51 1 136 ARG 2.96 -1.93 1 137 ASP -2.47 1.25 1 138 LYS 3.85 -1.69 1 139 THR 4.86 -1.43 1 140 VAL 1.76 -3.21 1 141 VAL 1.16 -1.42 1 142 LEU -1.19 0.58 1 149 ASP 1.09 0.37 1 150 LYS 3.16 -0.51 1 151 ASP 3.24 0.09 1 152 THR -2.42 1.95 1 153 VAL 1.74 -1.39 1 154 ARG -4.85 3.04 1 156 GLN 2.94 -0.27 1 157 GLU -1.09 -0.78 1 158 GLU 2.69 0.01 1 159 THR -1.25 -0.23 1 161 SER 2.07 0.60 1 163 GLU -2.40 0.81 1 164 HIS -4.18 3.63 1 166 LEU 0.03 -0.15 1 167 PHE -1.41 1.99 1 168 THR 5.62 -1.45 1 171 HIS -1.71 3.52 1 172 ASN -1.32 0.80 1 174 HIS 0.56 1.36 1 175 LEU 0.72 -0.20 1 176 VAL 1.85 -1.46 1 177 LEU -0.02 -0.25 1 180 THR 1.18 -0.51 1 181 ARG -2.12 1.20 1 182 ARG -2.20 2.96 1 183 ARG -6.08 4.20 1 184 LEU -4.40 2.27 1 185 LEU 3.53 -0.63 1 186 SER 0.29 -0.18 1 187 TRP 2.84 -0.26 1 188 SER 0.92 0.37 1 189 ASP -2.66 1.80 1 190 ASN 2.33 -2.19 1 191 TRP 1.68 -0.59 1 192 ARG 6.93 -2.28 1 193 GLU 3.14 -0.40 1 194 ILE 5.71 -1.56 1 195 LEU 6.15 -0.70 1 196 ASP 5.01 -1.21 1 197 SER 3.14 0.04 1 198 LYS 0.01 -2.07 1 199 ARG 2.61 -0.70 1 201 ALA 0.06 0.38 1 202 ALA 0.22 0.23 1 203 GLN 0.40 0.07 1 204 ARG 0.46 0.01 1 205 GLU 0.69 1.14 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19490_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.46 _LACS_plot.Line_1_terminator_val_y_1 -1.15 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.37 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.14 _LACS_plot.Line_2_terminator_val_x_2 8.08 _LACS_plot.Line_2_terminator_val_y_2 3.09 _LACS_plot.Y_axis_chem_shift_offset -0.75 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 24 ALA 2.94 -4.80 0 10 ARG -1.23 -0.16 1 13 VAL -0.42 -0.86 1 16 ASP 6.80 0.86 1 20 ALA -4.81 -0.05 1 21 ASP 1.17 -0.03 1 22 PHE 4.02 1.86 1 23 GLU 5.19 4.33 1 26 LEU 4.35 0.76 1 27 LEU 4.88 1.52 1 28 ARG 4.52 4.43 1 30 PHE 5.01 1.75 1 31 ARG 5.33 2.80 1 32 ARG 3.08 2.30 1 33 ARG 1.76 0.36 1 34 PHE 0.64 0.26 1 36 GLU 0.28 1.44 1 37 GLU 0.20 1.38 1 39 HIS -4.58 -0.23 1 40 VAL -0.31 -0.97 1 42 LEU 6.93 3.60 1 43 GLU 3.84 1.73 1 44 GLN -1.14 1.42 1 45 ARG 2.43 0.52 1 46 ARG -2.54 1.27 1 48 PHE 4.14 0.35 1 49 LEU -0.71 1.23 1 50 ALA 4.71 3.24 1 51 ARG 5.27 1.76 1 52 GLU 2.46 2.78 1 53 GLN 5.74 4.05 1 54 TYR 6.95 2.33 1 55 ARG 3.60 1.78 1 56 ALA 2.29 2.13 1 57 LEU 3.63 1.18 1 58 ARG -1.48 2.57 1 60 ASP 2.55 2.21 1 61 LEU 3.33 2.10 1 62 ALA 4.11 2.01 1 63 ASP 3.51 3.66 1 64 LYS 5.27 3.08 1 65 VAL 6.26 1.12 1 66 ALA 3.10 1.01 1 67 SER 3.51 2.10 1 68 VAL 5.29 1.98 1 69 TYR 1.01 0.88 1 70 GLU 0.25 -0.22 1 71 ALA -0.05 0.77 1 74 PHE 5.32 2.50 1 75 PHE 5.47 4.44 1 76 LEU 3.02 0.67 1 77 ASP 0.17 1.36 1 78 LEU 1.59 1.70 1 79 GLU -0.50 0.65 1 84 ALA -0.66 1.17 1 85 LEU 5.97 2.29 1 86 ASP 3.76 3.12 1 87 ALA 3.95 1.79 1 89 ARG 5.54 3.51 1 90 GLU 3.73 4.10 1 91 MET 3.00 1.73 1 92 ASN 1.46 0.78 1 93 ASP -0.61 1.40 1 94 LEU 1.33 0.64 1 96 ASP 2.25 -0.13 1 97 THR -0.85 -1.21 1 98 GLN -3.65 -0.62 1 99 VAL -2.32 -0.62 1 106 LEU -0.52 0.59 1 107 LEU 4.65 3.67 1 108 LYS 3.31 -0.75 1 109 TYR 1.47 2.36 1 110 HIS 3.95 3.06 1 111 HIS -0.46 2.19 1 113 VAL 8.08 1.01 1 115 GLU 2.69 3.13 1 116 LYS 5.37 2.86 1 117 TYR 4.84 2.63 1 118 ARG 3.48 3.23 1 120 VAL 7.55 2.28 1 121 GLU 4.98 1.98 1 122 GLN 3.35 2.11 1 123 HIS 2.99 2.05 1 124 LEU 0.25 -0.05 1 127 GLN 5.13 2.68 1 128 PHE 3.07 3.14 1 129 VAL 6.01 3.63 1 130 GLU 1.83 0.49 1 131 ARG -0.47 -0.55 1 132 ILE 2.11 0.61 1 133 ILE -1.78 -0.85 1 134 LEU -2.51 -0.76 1 135 THR -2.00 -0.54 1 136 ARG 2.96 -0.44 1 137 ASP -2.47 0.86 1 138 LYS 3.85 2.13 1 139 THR 4.86 0.77 1 140 VAL 1.76 -3.26 1 141 VAL 1.16 -0.36 1 142 LEU -1.19 -0.41 1 148 ASP -3.87 0.78 1 149 ASP 1.09 -0.91 1 150 LYS 3.16 -0.28 1 151 ASP 3.24 0.46 1 152 THR -2.42 -1.70 1 153 VAL 1.74 -1.13 1 154 ARG -4.85 0.33 1 156 GLN 2.94 1.67 1 157 GLU -1.09 -0.45 1 158 GLU 2.69 1.27 1 159 THR -1.25 -0.71 1 161 SER 2.07 0.77 1 162 TRP -6.46 1.39 1 163 GLU -2.40 0.89 1 164 HIS -4.18 1.62 1 165 ILE -0.77 -2.28 1 166 LEU 0.03 -2.26 1 167 PHE -1.41 0.57 1 168 THR 5.62 -2.26 1 171 HIS -1.71 2.12 1 172 ASN -1.32 4.18 1 174 HIS 0.56 2.14 1 175 LEU 0.72 -0.34 1 176 VAL 1.85 0.47 1 177 LEU -0.02 0.00 1 180 THR 1.18 0.76 1 181 ARG -2.12 -0.59 1 182 ARG -2.20 -0.49 1 183 ARG -6.08 -0.38 1 184 LEU -4.40 1.28 1 185 LEU 3.53 0.22 1 186 SER 0.29 0.57 1 187 TRP 2.84 0.62 1 188 SER 0.92 1.03 1 189 ASP -2.66 0.05 1 190 ASN 2.33 1.51 1 191 TRP 1.68 3.13 1 192 ARG 6.93 2.85 1 193 GLU 3.14 3.62 1 194 ILE 5.71 3.96 1 195 LEU 6.15 2.28 1 196 ASP 5.01 4.04 1 197 SER 3.14 1.59 1 198 LYS 0.01 0.94 1 199 ARG 2.61 1.62 1 201 ALA 0.06 0.67 1 202 ALA 0.22 0.76 1 203 GLN 0.40 0.60 1 204 ARG 0.46 -0.16 1 205 GLU 0.69 5.28 1 stop_ save_