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 bmr15875_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.04 _LACS_plot.Line_1_terminator_val_y_1 -3.50 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.33 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.82 _LACS_plot.Line_2_terminator_val_x_2 7.38 _LACS_plot.Line_2_terminator_val_y_2 4.41 _LACS_plot.Y_axis_chem_shift_offset 0.51 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 74 SER -3.65 2.08 0 18 LEU 0.61 -0.41 1 19 VAL 0.33 -0.48 1 21 ARG 1.10 0.13 1 23 SER -0.40 -0.85 1 24 HIS 1.71 1.41 1 26 VAL 0.10 -0.79 1 28 ARG 2.79 1.16 1 29 SER 1.43 0.93 1 33 ARG 1.55 0.35 1 34 GLU 0.59 -0.01 1 36 ARG 0.98 -0.14 1 37 THR 0.36 -0.03 1 38 LYS 0.46 -0.48 1 39 ASN -0.79 0.17 1 40 ARG -1.40 -0.79 1 41 PHE -4.05 -1.91 1 42 ASN -0.93 -0.99 1 44 ILE 3.00 1.10 1 45 THR -1.03 -0.60 1 47 ALA -0.85 -0.62 1 48 ARG 0.48 0.01 1 49 LEU -0.38 -1.11 1 50 ALA -5.44 -2.34 1 51 ALA -5.30 -2.27 1 53 VAL -4.51 -2.66 1 54 VAL 1.81 -0.57 1 55 ALA -2.43 -2.84 1 56 LEU 0.19 -0.76 1 57 SER 4.40 2.47 1 58 ALA 0.31 -1.53 1 59 ASP 6.80 1.56 1 60 LYS 2.21 1.83 1 61 ARG -7.04 -3.03 1 62 LYS -6.78 -5.44 1 63 VAL -0.31 -1.54 1 64 LEU -2.21 -2.02 1 65 LEU -6.73 -4.57 1 66 VAL -1.55 -1.28 1 67 SER 3.85 2.40 1 70 LYS 5.06 4.18 1 71 LYS -1.70 -1.50 1 75 TRP -1.21 -4.33 1 76 VAL 1.54 -1.87 1 77 VAL -1.79 -1.19 1 79 LYS -0.98 -0.81 1 83 GLU 2.48 1.34 1 84 ALA 1.16 -0.29 1 85 ASP -4.63 -2.95 1 86 GLU 5.93 2.16 1 88 VAL 7.39 3.85 1 89 GLN 4.31 2.56 1 90 GLN 3.45 2.39 1 91 ALA 4.31 2.32 1 92 ALA 4.08 2.16 1 93 LEU 6.44 3.48 1 94 ARG 4.85 1.84 1 95 GLU 3.50 2.60 1 97 TRP 4.08 3.71 1 98 GLU 0.96 1.18 1 99 GLU -2.66 -1.64 1 102 LEU -2.13 -1.65 1 103 VAL -3.85 -1.69 1 105 HIS -0.55 -0.51 1 106 ILE 2.48 0.05 1 107 THR -0.66 -1.11 1 108 ARG 0.62 -0.90 1 109 SER 0.28 -1.14 1 110 LEU -1.95 -1.83 1 112 SER 4.71 1.53 1 114 LYS 2.46 2.31 1 115 ASP 4.78 3.61 1 116 LYS 0.14 -0.18 1 119 THR -0.13 -0.86 1 120 ASP 1.09 0.22 1 123 ASP 0.55 0.87 1 125 ARG -3.64 -0.19 1 126 LYS -1.03 -1.04 1 127 LYS 2.86 1.41 1 129 LEU 3.28 1.61 1 130 LYS 2.45 1.17 1 131 GLN 1.86 0.69 1 132 LEU 1.32 0.29 1 133 MET 1.60 0.29 1 135 LYS -2.59 -1.81 1 137 SER -0.00 -0.19 1 139 ASN 0.44 -0.07 1 140 ASP 0.96 -0.22 1 141 VAL 0.42 0.12 1 142 SER 0.51 -0.10 1 143 THR 1.15 0.53 1 144 ASN 0.87 0.26 1 145 THR 0.61 -0.16 1 146 GLU 0.74 0.08 1 147 LEU 1.48 0.48 1 149 ALA -2.49 -3.69 1 150 GLU 1.84 0.70 1 151 ALA 1.47 0.63 1 152 GLU 1.48 0.17 1 153 LYS 0.70 -0.18 1 154 LEU 0.25 -0.82 1 155 LEU -0.73 -1.27 1 156 LEU 0.90 -0.08 1 159 ARG 0.17 -0.39 1 160 ALA -2.13 -1.89 1 161 GLU -1.55 -1.96 1 163 GLU -6.31 -3.24 1 167 VAL -0.11 -3.51 1 168 ILE 3.05 2.09 1 169 VAL 0.04 0.49 1 170 GLU -1.89 -1.00 1 171 ARG -1.75 -2.34 1 172 LEU -2.49 -1.89 1 173 GLU 1.67 1.59 1 174 ASP -1.30 -1.06 1 175 ASN 3.83 -0.44 1 176 TYR 1.69 -1.03 1 178 GLU 5.10 3.27 1 179 MET 5.19 2.99 1 180 ARG -1.05 0.02 1 181 LYS -3.99 -1.80 1 182 ARG 1.76 -0.41 1 185 LYS -2.75 -1.78 1 186 TRP -3.62 -0.55 1 187 MET -1.85 -1.07 1 188 SER 5.11 4.08 1 189 TYR 5.69 3.26 1 190 GLN 1.84 1.64 1 191 GLU 2.99 1.49 1 192 ALA 5.72 3.12 1 193 LYS 3.06 1.64 1 194 GLU 2.91 1.63 1 195 ALA -0.30 -1.11 1 196 LEU 4.68 3.93 1 197 THR 1.61 0.80 1 198 SER -1.82 -5.11 1 199 ARG 4.57 2.69 1 200 LYS 4.85 1.52 1 201 ASP 4.94 2.76 1 202 ILE 3.72 2.27 1 203 LEU 4.07 1.85 1 204 ALA 5.08 1.85 1 205 ALA 3.44 2.56 1 206 LEU 2.85 1.57 1 207 GLU 0.32 -0.41 1 208 LYS -0.20 0.80 1 209 SER 0.81 -0.64 1 210 SER 1.05 -0.48 1 211 ILE 2.41 0.74 1 212 ILE 0.89 -0.34 1 213 LYS -1.22 -0.91 1 214 GLU -0.47 -0.45 1 215 GLU 0.07 1.32 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15875_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.04 _LACS_plot.Line_1_terminator_val_y_1 3.54 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.67 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.18 _LACS_plot.Line_2_terminator_val_x_2 7.38 _LACS_plot.Line_2_terminator_val_y_2 -2.97 _LACS_plot.Y_axis_chem_shift_offset 0.51 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 74 SER -3.65 5.73 0 18 LEU 0.61 -1.02 1 19 VAL 0.33 -0.81 1 21 ARG 1.10 -0.97 1 23 SER -0.40 -0.45 1 24 HIS 1.71 -0.30 1 26 VAL 0.10 -0.89 1 28 ARG 2.79 -1.63 1 29 SER 1.43 -0.50 1 33 ARG 1.55 -1.20 1 34 GLU 0.59 -0.60 1 36 ARG 0.98 -1.12 1 37 THR 0.36 -0.39 1 38 LYS 0.46 -0.94 1 39 ASN -0.79 0.96 1 40 ARG -1.40 0.61 1 41 PHE -4.05 2.14 1 42 ASN -0.93 -0.06 1 44 ILE 3.00 -1.90 1 45 THR -1.03 0.43 1 47 ALA -0.85 0.23 1 48 ARG 0.48 -0.47 1 49 LEU -0.38 -0.73 1 50 ALA -5.44 3.10 1 51 ALA -5.30 3.03 1 53 VAL -4.51 1.85 1 54 VAL 1.81 -2.38 1 55 ALA -2.43 -0.41 1 56 LEU 0.19 -0.95 1 57 SER 4.40 -1.93 1 58 ALA 0.31 -1.84 1 59 ASP 6.80 -5.24 1 60 LYS 2.21 -0.38 1 61 ARG -7.04 4.01 1 62 LYS -6.78 1.34 1 63 VAL -0.31 -1.23 1 64 LEU -2.21 0.19 1 65 LEU -6.73 2.16 1 66 VAL -1.55 0.27 1 67 SER 3.85 -1.45 1 70 LYS 5.06 -0.88 1 71 LYS -1.70 0.20 1 75 TRP -1.21 -3.12 1 76 VAL 1.54 -3.41 1 77 VAL -1.79 0.60 1 79 LYS -0.98 0.17 1 83 GLU 2.48 -1.14 1 84 ALA 1.16 -1.45 1 85 ASP -4.63 1.68 1 86 GLU 5.93 -3.77 1 88 VAL 7.39 -3.54 1 89 GLN 4.31 -1.75 1 90 GLN 3.45 -1.06 1 91 ALA 4.31 -1.99 1 92 ALA 4.08 -1.92 1 93 LEU 6.44 -2.96 1 94 ARG 4.85 -3.01 1 95 GLU 3.50 -0.90 1 97 TRP 4.08 -0.37 1 98 GLU 0.96 0.22 1 99 GLU -2.66 1.02 1 102 LEU -2.13 0.48 1 103 VAL -3.85 2.16 1 105 HIS -0.55 0.04 1 106 ILE 2.48 -2.43 1 107 THR -0.66 -0.45 1 108 ARG 0.62 -1.52 1 109 SER 0.28 -1.42 1 110 LEU -1.95 0.12 1 112 SER 4.71 -3.18 1 114 LYS 2.46 -0.15 1 115 ASP 4.78 -1.17 1 116 LYS 0.14 -0.32 1 119 THR -0.13 -0.73 1 120 ASP 1.09 -0.87 1 123 ASP 0.55 0.32 1 125 ARG -3.64 3.45 1 126 LYS -1.03 -0.01 1 127 LYS 2.86 -1.45 1 129 LEU 3.28 -1.67 1 130 LYS 2.45 -1.28 1 131 GLN 1.86 -1.17 1 132 LEU 1.32 -1.03 1 133 MET 1.60 -1.31 1 135 LYS -2.59 0.78 1 137 SER -0.00 -0.19 1 139 ASN 0.44 -0.51 1 140 ASP 0.96 -1.18 1 141 VAL 0.42 -0.30 1 142 SER 0.51 -0.61 1 143 THR 1.15 -0.62 1 144 ASN 0.87 -0.61 1 145 THR 0.61 -0.77 1 146 GLU 0.74 -0.66 1 147 LEU 1.48 -1.00 1 149 ALA -2.49 -1.20 1 150 GLU 1.84 -1.14 1 151 ALA 1.47 -0.84 1 152 GLU 1.48 -1.31 1 153 LYS 0.70 -0.88 1 154 LEU 0.25 -1.07 1 155 LEU -0.73 -0.54 1 156 LEU 0.90 -0.98 1 159 ARG 0.17 -0.56 1 160 ALA -2.13 0.24 1 161 GLU -1.55 -0.41 1 163 GLU -6.31 3.07 1 167 VAL -0.11 -3.40 1 168 ILE 3.05 -0.96 1 169 VAL 0.04 0.45 1 170 GLU -1.89 0.89 1 171 ARG -1.75 -0.59 1 172 LEU -2.49 0.60 1 173 GLU 1.67 -0.08 1 174 ASP -1.30 0.24 1 175 ASN 3.83 -4.27 1 176 TYR 1.69 -2.72 1 178 GLU 5.10 -1.83 1 179 MET 5.19 -2.20 1 180 ARG -1.05 1.07 1 181 LYS -3.99 2.19 1 182 ARG 1.76 -2.17 1 185 LYS -2.75 0.97 1 186 TRP -3.62 3.07 1 187 MET -1.85 0.78 1 188 SER 5.11 -1.03 1 189 TYR 5.69 -2.43 1 190 GLN 1.84 -0.20 1 191 GLU 2.99 -1.50 1 192 ALA 5.72 -2.60 1 193 LYS 3.06 -1.42 1 194 GLU 2.91 -1.28 1 195 ALA -0.30 -0.81 1 196 LEU 4.68 -0.75 1 197 THR 1.61 -0.81 1 198 SER -1.82 -3.29 1 199 ARG 4.57 -1.88 1 200 LYS 4.85 -3.33 1 201 ASP 4.94 -2.18 1 202 ILE 3.72 -1.45 1 203 LEU 4.07 -2.22 1 204 ALA 5.08 -3.23 1 205 ALA 3.44 -0.88 1 206 LEU 2.85 -1.28 1 207 GLU 0.32 -0.73 1 208 LYS -0.20 1.00 1 209 SER 0.81 -1.45 1 210 SER 1.05 -1.53 1 211 ILE 2.41 -1.67 1 212 ILE 0.89 -1.23 1 213 LYS -1.22 0.31 1 214 GLU -0.47 0.02 1 215 GLU 0.07 1.25 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15875_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.04 _LACS_plot.Line_1_terminator_val_y_1 -2.67 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.45 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.94 _LACS_plot.Line_2_terminator_val_x_2 7.38 _LACS_plot.Line_2_terminator_val_y_2 2.32 _LACS_plot.Y_axis_chem_shift_offset 0.24 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 126 LYS -1.03 -4.86 0 215 GLU 0.07 4.15 0 59 ASP 6.80 -1.98 0 18 LEU 0.61 -0.48 1 19 VAL 0.33 -0.48 1 21 ARG 1.10 -0.29 1 26 VAL 0.10 -1.11 1 28 ARG 2.79 0.39 1 29 SER 1.43 2.49 1 33 ARG 1.55 0.32 1 34 GLU 0.59 0.49 1 36 ARG 0.98 0.38 1 37 THR 0.36 -0.32 1 38 LYS 0.46 -0.85 1 39 ASN -0.79 -0.92 1 40 ARG -1.40 -1.06 1 41 PHE -4.05 -0.56 1 42 ASN -0.93 1.83 1 44 ILE 3.00 1.26 1 45 THR -1.03 1.64 1 47 ALA -0.85 -0.85 1 48 ARG 0.48 -1.28 1 49 LEU -0.38 -0.83 1 50 ALA -5.44 -2.94 1 51 ALA -5.30 -1.74 1 53 VAL -4.51 -2.28 1 54 VAL 1.81 -3.59 1 55 ALA -2.43 -3.34 1 56 LEU 0.19 1.77 1 57 SER 4.40 1.16 1 58 ALA 0.31 -0.53 1 60 LYS 2.21 0.51 1 61 ARG -7.04 -3.38 1 62 LYS -6.78 -3.36 1 63 VAL -0.31 -2.68 1 64 LEU -2.21 -1.39 1 65 LEU -6.73 -1.10 1 66 VAL -1.55 0.52 1 67 SER 3.85 1.65 1 70 LYS 5.06 3.36 1 71 LYS -1.70 -1.48 1 74 SER -3.65 -1.05 1 75 TRP -1.21 -2.60 1 76 VAL 1.54 1.57 1 77 VAL -1.79 -2.50 1 79 LYS -0.98 1.69 1 83 GLU 2.48 -0.15 1 84 ALA 1.16 -1.69 1 85 ASP -4.63 -0.65 1 86 GLU 5.93 -0.55 1 88 VAL 7.39 2.03 1 89 GLN 4.31 3.18 1 90 GLN 3.45 1.10 1 91 ALA 4.31 1.34 1 92 ALA 4.08 2.91 1 93 LEU 6.44 2.22 1 94 ARG 4.85 3.33 1 95 GLU 3.50 1.12 1 97 TRP 4.08 1.28 1 98 GLU 0.96 0.06 1 99 GLU -2.66 -3.47 1 102 LEU -2.13 0.19 1 103 VAL -3.85 -0.66 1 105 HIS -0.55 1.32 1 106 ILE 2.48 1.21 1 107 THR -0.66 -1.44 1 108 ARG 0.62 1.36 1 109 SER 0.28 -1.83 1 110 LEU -1.95 -0.36 1 112 SER 2.46 -2.17 1 115 ASP 4.78 3.29 1 116 LYS -0.13 -0.12 1 120 ASP 0.55 -1.42 1 125 ARG -3.64 -2.06 1 127 LYS 2.86 0.63 1 129 LEU 3.28 1.48 1 130 LYS 2.45 1.15 1 131 GLN 1.86 0.61 1 132 LEU 1.32 0.48 1 133 MET 1.60 0.30 1 135 LYS -2.59 0.40 1 137 SER -0.00 -0.34 1 139 ASN 0.44 -0.06 1 140 ASP 0.96 0.19 1 141 VAL 0.42 0.38 1 142 SER 0.51 -0.26 1 143 THR 1.15 0.40 1 144 ASN 0.87 0.11 1 145 THR 0.61 0.12 1 146 GLU 0.74 0.56 1 147 LEU 1.48 0.97 1 149 ALA -2.49 0.76 1 150 GLU 1.84 0.89 1 151 ALA 1.47 0.47 1 152 GLU 1.48 0.05 1 153 LYS 0.70 -0.98 1 154 LEU 0.25 -1.18 1 155 LEU -0.73 -1.29 1 156 LEU 0.90 -0.27 1 159 ARG 0.17 0.45 1 160 ALA -2.13 -2.29 1 161 GLU -1.55 -1.85 1 163 GLU -6.31 -1.80 1 167 VAL -0.11 0.01 1 168 ILE 3.05 -0.57 1 169 VAL 0.04 0.33 1 170 GLU -1.89 -3.60 1 171 ARG -1.75 0.12 1 172 LEU -2.49 1.06 1 173 GLU 1.67 -0.70 1 174 ASP -1.30 -2.21 1 175 ASN 3.83 0.54 1 176 TYR 1.69 -0.22 1 178 GLU 5.10 -0.34 1 179 MET 5.19 0.51 1 180 ARG -1.05 -0.67 1 181 LYS -3.99 -0.48 1 182 ARG 1.76 0.47 1 185 LYS -2.75 1.00 1 186 TRP -3.62 -1.07 1 187 MET -1.85 -0.87 1 188 SER 5.11 0.14 1 189 TYR 5.69 3.13 1 190 GLN 1.84 2.73 1 191 GLU 2.99 0.82 1 192 ALA 5.72 2.36 1 193 LYS 3.06 2.87 1 194 GLU 2.91 1.71 1 195 ALA -0.30 -1.03 1 196 LEU 4.68 -0.08 1 197 THR 1.61 0.03 1 198 SER -1.82 -1.33 1 199 ARG 4.57 2.00 1 200 LYS 4.85 -0.89 1 201 ASP 4.94 1.73 1 202 ILE 3.72 0.71 1 203 LEU 4.07 2.08 1 204 ALA 5.08 1.01 1 205 ALA 3.44 1.22 1 206 LEU 2.85 1.52 1 207 GLU 0.32 0.21 1 208 LYS -0.20 -1.49 1 209 SER 0.81 -1.81 1 210 SER 1.05 -2.47 1 211 ILE 2.41 0.33 1 212 ILE 0.89 -0.19 1 213 LYS -1.22 -0.80 1 214 GLU -0.47 -1.32 1 stop_ save_