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 bmr27563_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -4.14 _LACS_plot.Line_1_terminator_val_y_1 -2.16 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.38 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.75 _LACS_plot.Line_2_terminator_val_x_2 9.26 _LACS_plot.Line_2_terminator_val_y_2 6.33 _LACS_plot.Y_axis_chem_shift_offset 0.38 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 111 HIS -1.38 2.67 0 10 SER 4.24 3.05 1 11 LEU 4.87 2.81 1 12 ILE 5.09 1.02 1 13 GLN 4.52 2.57 1 20 GLN 4.36 2.95 1 21 ALA 0.52 -1.18 1 22 GLU 4.25 0.37 1 23 ARG -0.20 -3.64 1 24 TYR 7.23 4.67 1 25 GLU 6.21 3.71 1 28 ALA 6.08 2.20 1 29 ALA 4.45 2.39 1 30 PHE 3.27 1.06 1 31 MET 4.53 -0.84 1 32 LYS 5.98 3.83 1 34 ALA 4.56 2.56 1 35 VAL 6.69 4.17 1 36 GLU 2.85 1.13 1 37 LYS 2.17 -0.53 1 39 GLU -1.59 -1.56 1 40 GLU 0.19 0.10 1 41 LEU -0.38 -1.62 1 42 SER -2.83 -1.78 1 44 GLU 3.41 2.46 1 45 GLU 2.72 2.08 1 46 ARG 5.79 3.25 1 47 ASN 4.68 3.42 1 48 LEU 3.70 2.68 1 49 LEU 4.23 3.20 1 50 SER 3.18 2.35 1 51 VAL 5.20 3.80 1 52 ALA 5.95 3.93 1 53 TYR 7.47 6.24 1 54 LYS 5.02 2.91 1 55 ASN 3.21 3.01 1 56 VAL 5.57 4.32 1 57 VAL 3.73 1.95 1 60 GLN 4.25 3.04 1 61 ARG 3.42 2.88 1 62 ALA 4.35 2.47 1 63 ALA 3.15 2.23 1 64 TRP 7.06 5.73 1 65 ARG 5.50 3.89 1 66 VAL 5.82 3.91 1 67 LEU 3.99 2.21 1 68 SER 4.40 2.59 1 69 SER 4.41 2.78 1 70 ILE 5.07 3.77 1 71 GLU 2.78 2.44 1 72 GLN 3.68 1.96 1 73 LYS 3.33 1.51 1 74 SER 2.58 1.53 1 75 ASN 1.10 0.59 1 76 GLU 0.72 0.25 1 77 GLU 0.65 -0.11 1 79 SER -0.05 -0.43 1 80 GLU 0.65 0.05 1 81 GLU 0.65 -0.11 1 82 LYS 0.37 -0.56 1 85 GLU 6.98 4.38 1 86 VAL 6.13 3.16 1 87 ARG 5.28 3.10 1 88 GLU 2.94 2.15 1 89 TYR 2.15 0.91 1 90 ARG 9.26 4.95 1 91 GLU 4.19 2.98 1 92 LYS 4.85 3.20 1 93 VAL 5.46 4.28 1 94 GLU 2.93 3.79 1 95 THR 5.23 4.07 1 96 GLU 3.84 2.69 1 97 LEU 3.81 3.03 1 98 GLN 5.30 2.92 1 100 VAL 6.78 4.49 1 102 ASP 4.31 3.05 1 103 THR 6.77 4.61 1 104 VAL 7.01 4.44 1 105 LEU 5.00 2.74 1 107 LEU 3.31 2.51 1 108 LEU 4.97 2.93 1 109 ASP 3.24 2.53 1 110 SER 3.31 2.18 1 112 LEU 4.22 2.12 1 113 ILE 5.68 3.26 1 115 GLU 0.97 -0.23 1 116 ALA 0.03 -0.70 1 118 ASP -2.06 -1.41 1 119 ALA 4.13 2.90 1 120 GLU 5.32 3.80 1 122 ARG 5.55 4.51 1 123 VAL 7.26 4.78 1 124 PHE 5.38 4.35 1 125 TYR 2.53 1.74 1 129 LYS 4.82 3.28 1 131 ASP 4.23 2.37 1 137 ALA 3.59 1.73 1 138 GLU 2.73 2.16 1 139 VAL -0.49 -2.57 1 140 ALA -2.26 -1.33 1 141 THR -4.14 -1.96 1 143 ASP 3.77 2.56 1 144 ASP 3.61 2.53 1 145 LYS 5.32 3.62 1 146 LYS 5.26 3.49 1 147 ARG 4.82 2.87 1 148 ILE 5.07 3.72 1 149 ILE 7.41 5.48 1 150 ASP 4.51 2.98 1 151 SER 7.16 3.83 1 152 ALA 4.14 2.32 1 153 ARG 5.03 3.57 1 154 SER 4.40 2.98 1 155 ALA 5.26 2.41 1 164 LYS 4.26 2.59 1 165 LYS 1.26 1.37 1 166 GLU -1.84 -0.02 1 167 MET -2.26 -0.39 1 170 THR -0.55 -1.73 1 171 ASN -0.47 0.97 1 173 ILE 6.11 2.56 1 174 ARG 5.11 3.56 1 175 LEU 3.12 2.58 1 177 LEU 4.78 2.65 1 178 ALA 2.93 2.85 1 179 LEU 5.26 3.12 1 180 ASN 5.38 2.53 1 181 PHE 0.26 -2.62 1 182 SER 7.08 5.46 1 183 VAL 6.89 4.80 1 185 HIS 2.34 3.87 1 186 TYR 4.46 4.72 1 187 GLU 0.52 1.09 1 188 ILE 1.99 -1.90 1 189 ALA -0.14 -0.89 1 190 ASN 2.89 0.39 1 191 SER -2.11 -2.93 1 193 GLU 5.46 3.21 1 194 GLU 3.91 1.77 1 195 ALA 1.84 3.05 1 196 ILE 4.74 4.08 1 197 SER 4.19 2.68 1 198 LEU 4.67 2.51 1 199 ALA 5.28 3.51 1 200 LYS 4.53 3.28 1 201 THR 5.66 4.50 1 202 THR 6.13 4.42 1 203 PHE 5.28 4.74 1 204 ASP 5.03 3.10 1 205 GLU 3.83 2.35 1 206 ALA 3.20 1.80 1 207 MET 3.63 1.07 1 208 ALA 2.97 1.34 1 209 ASP -2.12 -0.69 1 210 LEU 3.83 2.83 1 211 HIS 2.98 2.65 1 212 THR 0.61 0.07 1 213 LEU -0.15 -0.45 1 214 SER -0.88 -0.90 1 215 GLU 3.60 2.48 1 216 ASP 3.30 1.98 1 217 SER 1.76 1.34 1 218 TYR 3.81 2.83 1 219 LYS 5.33 3.19 1 220 ASP 3.86 2.61 1 221 SER 6.66 4.85 1 222 THR 5.60 4.00 1 223 LEU 4.79 3.11 1 224 ILE 5.25 2.97 1 225 MET 4.77 4.04 1 228 LEU 3.73 3.10 1 229 ARG 4.58 2.30 1 230 ASP 4.70 2.62 1 231 ASN 5.53 1.88 1 232 LEU 5.04 3.09 1 233 THR 5.14 3.59 1 234 LEU 2.71 1.53 1 235 TRP -2.94 -2.02 1 236 THR 0.26 1.32 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27563_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -4.14 _LACS_plot.Line_1_terminator_val_y_1 1.98 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.62 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.25 _LACS_plot.Line_2_terminator_val_x_2 9.26 _LACS_plot.Line_2_terminator_val_y_2 -2.93 _LACS_plot.Y_axis_chem_shift_offset 0.38 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 111 HIS -1.38 4.05 0 10 SER 4.24 -1.19 1 11 LEU 4.87 -2.06 1 12 ILE 5.09 -4.07 1 13 GLN 4.52 -1.95 1 20 GLN 4.36 -1.41 1 21 ALA 0.52 -1.70 1 22 GLU 4.25 -3.88 1 23 ARG -0.20 -3.44 1 24 TYR 7.23 -2.56 1 25 GLU 6.21 -2.50 1 28 ALA 6.08 -3.88 1 29 ALA 4.45 -2.06 1 30 PHE 3.27 -2.21 1 31 MET 4.53 -5.37 1 32 LYS 5.98 -2.15 1 34 ALA 4.56 -2.00 1 35 VAL 6.69 -2.52 1 36 GLU 2.85 -1.72 1 37 LYS 2.17 -2.70 1 39 GLU -1.59 0.03 1 40 GLU 0.19 -0.09 1 41 LEU -0.38 -1.24 1 42 SER -2.83 1.05 1 44 GLU 3.41 -0.95 1 45 GLU 2.72 -0.64 1 46 ARG 5.79 -2.54 1 47 ASN 4.68 -1.26 1 48 LEU 3.70 -1.02 1 49 LEU 4.23 -1.03 1 50 SER 3.18 -0.83 1 51 VAL 5.20 -1.40 1 52 ALA 5.95 -2.02 1 53 TYR 7.47 -1.23 1 54 LYS 5.02 -2.11 1 55 ASN 3.21 -0.20 1 56 VAL 5.57 -1.25 1 57 VAL 3.73 -1.78 1 60 GLN 4.25 -1.21 1 61 ARG 3.42 -0.54 1 62 ALA 4.35 -1.88 1 63 ALA 3.15 -0.92 1 64 TRP 7.06 -1.33 1 65 ARG 5.50 -1.61 1 66 VAL 5.82 -1.91 1 67 LEU 3.99 -1.78 1 68 SER 4.40 -1.81 1 69 SER 4.41 -1.63 1 70 ILE 5.07 -1.30 1 71 GLU 2.78 -0.34 1 72 GLN 3.68 -1.72 1 73 LYS 3.33 -1.82 1 74 SER 2.58 -1.05 1 75 ASN 1.10 -0.51 1 76 GLU 0.72 -0.47 1 77 GLU 0.65 -0.76 1 79 SER -0.05 -0.38 1 80 GLU 0.65 -0.60 1 81 GLU 0.65 -0.76 1 82 LYS 0.37 -0.93 1 85 GLU 6.98 -2.60 1 86 VAL 6.13 -2.97 1 87 ARG 5.28 -2.18 1 88 GLU 2.94 -0.79 1 89 TYR 2.15 -1.24 1 90 ARG 9.26 -4.31 1 91 GLU 4.19 -1.21 1 92 LYS 4.85 -1.65 1 93 VAL 5.46 -1.18 1 94 GLU 2.93 0.86 1 95 THR 5.23 -1.16 1 96 GLU 3.84 -1.15 1 97 LEU 3.81 -0.78 1 98 GLN 5.30 -2.38 1 100 VAL 6.78 -2.29 1 102 ASP 4.31 -1.26 1 103 THR 6.77 -2.16 1 104 VAL 7.01 -2.57 1 105 LEU 5.00 -2.26 1 107 LEU 3.31 -0.80 1 108 LEU 4.97 -2.04 1 109 ASP 3.24 -0.71 1 110 SER 3.31 -1.13 1 112 LEU 4.22 -2.10 1 113 ILE 5.68 -2.42 1 115 GLU 0.97 -1.20 1 116 ALA 0.03 -0.73 1 118 ASP -2.06 0.65 1 119 ALA 4.13 -1.23 1 120 GLU 5.32 -1.52 1 122 ARG 5.55 -1.04 1 123 VAL 7.26 -2.48 1 124 PHE 5.38 -1.03 1 125 TYR 2.53 -0.79 1 129 LYS 4.82 -1.54 1 131 ASP 4.23 -1.86 1 137 ALA 3.59 -1.86 1 138 GLU 2.73 -0.57 1 139 VAL -0.49 -2.08 1 140 ALA -2.26 0.93 1 141 THR -4.14 2.18 1 143 ASP 3.77 -1.21 1 144 ASP 3.61 -1.08 1 145 LYS 5.32 -1.70 1 146 LYS 5.26 -1.77 1 147 ARG 4.82 -1.95 1 148 ILE 5.07 -1.35 1 149 ILE 7.41 -1.93 1 150 ASP 4.51 -1.53 1 151 SER 7.16 -3.33 1 152 ALA 4.14 -1.82 1 153 ARG 5.03 -1.46 1 154 SER 4.40 -1.42 1 155 ALA 5.26 -2.85 1 164 LYS 4.26 -1.67 1 165 LYS 1.26 0.11 1 166 GLU -1.84 1.82 1 167 MET -2.26 1.87 1 170 THR -0.55 -1.18 1 171 ASN -0.47 1.44 1 173 ILE 6.11 -3.55 1 174 ARG 5.11 -1.55 1 175 LEU 3.12 -0.54 1 177 LEU 4.78 -2.13 1 178 ALA 2.93 -0.08 1 179 LEU 5.26 -2.14 1 180 ASN 5.38 -2.85 1 181 PHE 0.26 -2.88 1 182 SER 7.08 -1.62 1 183 VAL 6.89 -2.09 1 185 HIS 2.34 1.53 1 186 TYR 4.46 0.26 1 187 GLU 0.52 0.57 1 188 ILE 1.99 -3.89 1 189 ALA -0.14 -0.75 1 190 ASN 2.89 -2.50 1 191 SER -2.11 -0.82 1 193 GLU 5.46 -2.25 1 194 GLU 3.91 -2.14 1 195 ALA 1.84 1.21 1 196 ILE 4.74 -0.66 1 197 SER 4.19 -1.51 1 198 LEU 4.67 -2.16 1 199 ALA 5.28 -1.77 1 200 LYS 4.53 -1.25 1 201 THR 5.66 -1.16 1 202 THR 6.13 -1.71 1 203 PHE 5.28 -0.54 1 204 ASP 5.03 -1.93 1 205 GLU 3.83 -1.48 1 206 ALA 3.20 -1.40 1 207 MET 3.63 -2.56 1 208 ALA 2.97 -1.63 1 209 ASP -2.12 1.43 1 210 LEU 3.83 -1.00 1 211 HIS 2.98 -0.33 1 212 THR 0.61 -0.54 1 213 LEU -0.15 -0.30 1 214 SER -0.88 -0.02 1 215 GLU 3.60 -1.12 1 216 ASP 3.30 -1.32 1 217 SER 1.76 -0.42 1 218 TYR 3.81 -0.98 1 219 LYS 5.33 -2.14 1 220 ASP 3.86 -1.25 1 221 SER 6.66 -1.81 1 222 THR 5.60 -1.60 1 223 LEU 4.79 -1.68 1 224 ILE 5.25 -2.28 1 225 MET 4.77 -0.73 1 228 LEU 3.73 -0.63 1 229 ARG 4.58 -2.28 1 230 ASP 4.70 -2.08 1 231 ASN 5.53 -3.65 1 232 LEU 5.04 -1.95 1 233 THR 5.14 -1.55 1 234 LEU 2.71 -1.18 1 235 TRP -2.94 0.92 1 236 THR 0.26 1.06 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27563_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -4.14 _LACS_plot.Line_1_terminator_val_y_1 -0.70 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.15 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.22 _LACS_plot.Line_2_terminator_val_x_2 9.26 _LACS_plot.Line_2_terminator_val_y_2 2.78 _LACS_plot.Y_axis_chem_shift_offset -0.61 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 21 ALA 0.52 -3.51 0 10 SER 4.24 1.65 1 11 LEU 4.87 1.12 1 12 ILE 5.09 1.76 1 20 GLN 4.36 1.91 1 22 GLU 4.25 -1.71 1 23 ARG -0.20 1.08 1 24 TYR 7.23 1.04 1 28 ALA 6.08 0.15 1 30 PHE 3.27 -1.42 1 31 MET 4.53 2.83 1 32 LYS 5.98 1.77 1 34 ALA 4.56 3.38 1 35 VAL 6.69 2.17 1 36 GLU 2.85 0.52 1 37 LYS 2.17 2.04 1 39 GLU -1.59 0.53 1 40 GLU 0.19 -1.10 1 41 LEU -0.38 0.74 1 44 GLU 3.41 2.84 1 45 GLU 2.72 1.77 1 46 ARG 5.79 1.79 1 47 ASN 4.68 1.97 1 48 LEU 3.70 1.25 1 49 LEU 4.23 -0.56 1 50 SER 3.18 3.21 1 51 VAL 5.20 2.02 1 52 ALA 5.95 1.11 1 53 TYR 7.47 2.00 1 54 LYS 5.02 3.98 1 55 ASN 3.21 2.94 1 56 VAL 5.57 2.90 1 57 VAL 3.73 2.30 1 60 GLN 4.25 2.15 1 61 ARG 3.42 2.60 1 62 ALA 4.35 2.82 1 63 ALA 3.15 0.94 1 64 TRP 7.06 2.76 1 65 ARG 5.50 3.55 1 66 VAL 5.82 2.49 1 67 LEU 3.99 0.90 1 69 SER 4.41 2.34 1 70 ILE 5.07 2.45 1 71 GLU 2.78 2.07 1 72 GLN 3.68 2.13 1 73 LYS 3.33 1.68 1 74 SER 2.58 0.47 1 75 ASN 1.10 0.97 1 76 GLU 0.72 0.10 1 77 GLU 0.65 0.87 1 79 SER -0.05 0.48 1 80 GLU 0.65 0.10 1 81 GLU 0.65 -0.17 1 82 LYS 0.37 0.21 1 85 GLU 6.98 1.47 1 86 VAL 6.13 0.14 1 87 ARG 5.28 1.91 1 89 TYR 2.15 1.26 1 90 ARG 9.26 3.02 1 91 GLU 4.19 2.44 1 92 LYS 4.85 2.79 1 93 VAL 5.46 1.52 1 94 GLU 2.93 1.58 1 95 THR 5.23 3.06 1 96 GLU 3.84 2.79 1 97 LEU 3.81 2.09 1 98 GLN 5.30 2.33 1 102 ASP 4.31 3.69 1 103 THR 6.77 1.87 1 104 VAL 7.01 1.20 1 105 LEU 5.00 1.83 1 108 LEU 4.97 0.31 1 109 ASP 3.24 2.58 1 110 SER 3.31 0.13 1 111 HIS -1.38 1.40 1 112 LEU 4.22 0.34 1 115 GLU 0.97 -0.58 1 116 ALA 0.03 0.36 1 118 ASP -2.06 -0.51 1 119 ALA 4.13 0.82 1 122 ARG 5.55 2.83 1 123 VAL 7.26 0.41 1 124 PHE 5.38 3.07 1 129 LYS 4.82 0.62 1 137 ALA 3.59 1.21 1 138 GLU 2.73 1.28 1 139 VAL -0.49 -1.31 1 140 ALA -2.26 -1.48 1 141 THR -4.14 0.99 1 143 ASP 3.77 2.22 1 144 ASP 3.61 1.16 1 145 LYS 5.32 0.80 1 146 LYS 5.26 1.85 1 147 ARG 4.82 2.88 1 148 ILE 5.07 1.87 1 149 ILE 7.41 1.59 1 150 ASP 4.51 3.16 1 151 SER 7.16 1.73 1 152 ALA 4.14 -0.40 1 153 ARG 5.03 1.45 1 154 SER 4.40 2.36 1 164 LYS 4.26 1.56 1 165 LYS 1.26 2.14 1 166 GLU -1.84 0.01 1 170 THR -0.55 -0.58 1 173 ILE 6.11 1.60 1 174 ARG 5.11 1.55 1 175 LEU 3.12 1.06 1 177 LEU 4.78 -0.84 1 178 ALA 2.93 2.91 1 179 LEU 5.26 2.88 1 180 ASN 5.38 2.77 1 181 PHE 0.26 1.43 1 182 SER 7.08 1.15 1 185 HIS 2.34 2.53 1 186 TYR 4.46 1.42 1 188 ILE 1.99 0.03 1 189 ALA -0.14 -1.12 1 190 ASN 2.89 -1.61 1 193 GLU 5.46 3.49 1 194 GLU 3.91 2.18 1 195 ALA 1.84 1.14 1 196 ILE 4.74 1.20 1 197 SER 4.19 3.12 1 198 LEU 4.67 2.57 1 199 ALA 5.28 0.79 1 200 LYS 4.53 1.79 1 201 THR 5.66 2.08 1 202 THR 6.13 1.71 1 203 PHE 5.28 0.53 1 204 ASP 5.03 3.97 1 205 GLU 3.83 2.44 1 206 ALA 3.20 1.32 1 207 MET 3.63 2.58 1 208 ALA 2.97 0.09 1 209 ASP -2.12 1.61 1 211 HIS 2.98 1.83 1 212 THR 0.61 0.23 1 213 LEU -0.15 -0.36 1 214 SER -0.88 0.41 1 215 GLU 3.60 1.58 1 216 ASP 3.30 1.43 1 217 SER 1.76 0.62 1 218 TYR 3.81 2.07 1 219 LYS 5.33 1.51 1 220 ASP 3.86 2.79 1 221 SER 6.66 1.58 1 222 THR 5.60 2.58 1 223 LEU 4.79 1.61 1 224 ILE 5.25 2.26 1 228 LEU 3.73 0.47 1 229 ARG 4.58 2.54 1 230 ASP 4.70 2.98 1 231 ASN 5.53 0.35 1 232 LEU 5.04 2.15 1 233 THR 5.14 0.74 1 234 LEU 2.71 1.86 1 235 TRP -2.94 0.67 1 stop_ save_