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 bmr17503_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.69 _LACS_plot.Line_1_terminator_val_y_1 -4.23 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.05 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.43 _LACS_plot.Line_2_terminator_val_x_2 7.29 _LACS_plot.Line_2_terminator_val_y_2 4.78 _LACS_plot.Y_axis_chem_shift_offset 0.85 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 132 TYR 2.06 4.67 0 14 LEU 0.76 -0.43 1 15 VAL -1.63 -2.91 1 22 LYS 0.30 -0.12 1 23 THR 0.86 0.07 1 25 ILE -4.34 -2.50 1 26 TYR 1.54 1.15 1 28 HIS 5.32 4.18 1 29 GLN 2.82 1.54 1 30 TYR 5.55 3.82 1 31 ASN 5.07 2.28 1 32 TYR 5.84 4.03 1 33 ILE 6.53 3.76 1 34 ARG 6.44 3.76 1 35 SER 4.82 3.07 1 36 VAL 5.32 2.79 1 37 ILE 7.23 4.67 1 38 LEU 5.71 2.42 1 39 ARG 4.88 2.87 1 40 LEU 4.44 2.21 1 41 LYS 4.39 2.02 1 42 ASN 3.97 3.26 1 43 VAL 6.98 4.08 1 44 TYR 1.80 -1.52 1 45 LYS 1.73 1.27 1 46 THR -0.97 0.53 1 47 VAL 2.59 0.39 1 51 GLU 4.34 2.13 1 52 THR 6.73 4.36 1 53 VAL 7.20 4.86 1 54 LYS 4.66 2.80 1 55 VAL 5.98 3.93 1 56 ILE 5.09 2.60 1 57 GLN 5.64 4.61 1 58 SER 4.94 3.22 1 59 GLU 3.28 2.52 1 60 THR 7.30 5.31 1 61 TYR 5.06 4.02 1 62 ASN 4.51 3.09 1 63 ASP 3.54 2.81 1 64 ILE 6.57 4.32 1 65 ASN 3.61 3.46 1 66 GLU 3.13 1.88 1 67 ILE 4.45 2.50 1 68 PHE 3.06 3.00 1 70 HIS -1.59 0.31 1 71 ILE -0.24 -1.60 1 72 ASP -2.31 -2.14 1 73 ASP 3.74 2.94 1 74 ASP 3.53 2.40 1 75 ILE 5.21 2.88 1 77 GLU 4.01 2.40 1 79 LEU 4.89 2.45 1 80 LYS 5.25 3.36 1 81 VAL 5.65 3.43 1 82 LEU 2.34 1.27 1 83 MET -0.70 -1.77 1 84 ASN -1.68 -1.75 1 85 ILE 3.84 1.47 1 86 ARG 2.17 -1.06 1 87 LEU 1.45 0.96 1 88 SER -5.08 -2.51 1 91 GLU 3.00 2.10 1 92 ILE 6.85 4.75 1 94 ALA 3.97 2.20 1 95 ILE 5.40 3.44 1 96 LEU 6.34 2.78 1 97 ASN 3.80 2.63 1 98 LYS 5.48 1.68 1 99 PHE 3.49 0.29 1 100 LEU 3.12 1.84 1 101 GLU 3.21 1.35 1 102 TYR 0.73 -0.23 1 103 VAL -0.44 -1.15 1 104 VAL -0.20 -1.18 1 106 PHE 2.68 1.57 1 107 GLU -1.00 -2.22 1 108 LEU 1.50 -0.31 1 110 SER -0.66 -2.49 1 113 LYS 4.14 2.41 1 114 LEU 3.53 2.11 1 115 GLN 3.68 1.88 1 116 LYS 3.13 1.44 1 117 VAL 3.79 2.01 1 118 PHE 0.12 -2.06 1 119 LYS 4.15 2.45 1 123 LYS 1.80 -0.56 1 124 ILE -0.72 -1.24 1 125 LYS -1.40 -1.70 1 126 ILE -3.07 -3.61 1 138 SER 3.68 2.97 1 139 PHE -3.44 -2.77 1 140 VAL -1.39 -1.36 1 148 ASN 3.61 1.47 1 149 ARG -4.58 -1.12 1 150 LYS -2.07 -1.43 1 151 TYR -0.98 -1.17 1 152 ILE -3.79 -0.88 1 154 TYR -1.91 -1.78 1 155 TYR -2.67 -1.62 1 156 ASP -1.46 -2.06 1 157 GLU 4.26 2.02 1 158 LYS 1.25 -1.26 1 159 LYS 6.05 1.05 1 160 GLN -0.51 -1.64 1 161 LEU 1.69 -0.26 1 162 LYS -5.34 -3.32 1 164 LEU -1.19 -0.25 1 165 TYR -5.06 -2.72 1 167 GLU -2.59 -1.84 1 168 ILE -7.69 -4.90 1 169 SER -0.07 -0.63 1 171 GLN 0.90 -0.04 1 172 VAL -1.01 -1.53 1 173 VAL -5.54 -3.83 1 174 LYS 1.21 -1.67 1 176 PHE 0.72 0.22 1 178 THR 3.97 2.83 1 181 ASN 2.97 0.74 1 182 LYS -3.94 -3.24 1 183 GLU 1.18 -0.44 1 184 SER -3.38 -3.62 1 185 ASN 0.49 -1.03 1 186 VAL -6.14 -3.50 1 187 SER -5.59 -1.27 1 188 LEU 1.49 0.54 1 189 PHE -4.05 -1.99 1 190 MET -3.51 -2.32 1 191 LYS -0.09 -0.19 1 192 LYS 2.12 -0.53 1 200 GLN 0.27 -0.50 1 201 TYR -0.13 -0.71 1 202 VAL 0.01 -0.79 1 203 LYS 0.08 -0.75 1 204 LYS -0.94 -0.85 1 206 ASP -5.54 -1.48 1 207 TYR 2.47 1.63 1 210 ARG 5.22 3.28 1 211 ASP -0.93 -2.37 1 212 SER 3.54 2.97 1 213 ILE 7.22 3.78 1 214 HIS 3.57 4.52 1 218 GLN -0.64 -1.86 1 220 THR 0.15 -0.70 1 221 ASP -1.78 -1.23 1 225 PHE 5.12 3.00 1 226 TYR 4.64 0.75 1 227 ASN 3.77 2.50 1 229 ILE 4.08 -0.27 1 230 ASP 2.57 1.87 1 231 LYS 2.23 0.24 1 232 LEU 1.00 -0.24 1 233 ASP 0.98 1.52 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17503_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.69 _LACS_plot.Line_1_terminator_val_y_1 3.46 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.95 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.43 _LACS_plot.Line_2_terminator_val_x_2 7.29 _LACS_plot.Line_2_terminator_val_y_2 -2.51 _LACS_plot.Y_axis_chem_shift_offset 0.85 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 132 TYR 2.06 2.61 0 14 LEU 0.76 -1.19 1 15 VAL -1.63 -1.28 1 22 LYS 0.30 -0.42 1 23 THR 0.86 -0.79 1 25 ILE -4.34 1.84 1 26 TYR 1.54 -0.39 1 28 HIS 5.32 -1.14 1 29 GLN 2.82 -1.28 1 30 TYR 5.55 -1.73 1 31 ASN 5.07 -2.79 1 32 TYR 5.84 -1.81 1 33 ILE 6.53 -2.77 1 34 ARG 6.44 -2.68 1 35 SER 4.82 -1.75 1 36 VAL 5.32 -2.53 1 37 ILE 7.23 -2.56 1 38 LEU 5.71 -3.29 1 39 ARG 4.88 -2.01 1 40 LEU 4.44 -2.23 1 41 LYS 4.39 -2.37 1 42 ASN 3.97 -0.71 1 43 VAL 6.98 -2.90 1 44 TYR 1.80 -3.32 1 45 LYS 1.73 -0.46 1 46 THR -0.97 1.50 1 47 VAL 2.59 -2.20 1 51 GLU 4.34 -2.21 1 52 THR 6.73 -2.37 1 53 VAL 7.20 -2.34 1 54 LYS 4.66 -1.86 1 55 VAL 5.98 -2.05 1 56 ILE 5.09 -2.49 1 57 GLN 5.64 -1.03 1 58 SER 4.94 -1.72 1 59 GLU 3.28 -0.76 1 60 THR 7.30 -1.99 1 61 TYR 5.06 -1.04 1 62 ASN 4.51 -1.42 1 63 ASP 3.54 -0.73 1 64 ILE 6.57 -2.25 1 65 ASN 3.61 -0.15 1 66 GLU 3.13 -1.25 1 67 ILE 4.45 -1.95 1 68 PHE 3.06 -0.06 1 70 HIS -1.59 1.90 1 71 ILE -0.24 -1.36 1 72 ASP -2.31 0.17 1 73 ASP 3.74 -0.80 1 74 ASP 3.53 -1.13 1 75 ILE 5.21 -2.33 1 77 GLU 4.01 -1.61 1 79 LEU 4.89 -2.44 1 80 LYS 5.25 -1.89 1 81 VAL 5.65 -2.22 1 82 LEU 2.34 -1.07 1 83 MET -0.70 -1.07 1 84 ASN -1.68 -0.07 1 85 ILE 3.84 -2.37 1 86 ARG 2.17 -3.23 1 87 LEU 1.45 -0.49 1 88 SER -5.08 2.57 1 91 GLU 3.00 -0.90 1 92 ILE 6.85 -2.10 1 94 ALA 3.97 -1.77 1 95 ILE 5.40 -1.96 1 96 LEU 6.34 -3.56 1 97 ASN 3.80 -1.17 1 98 LYS 5.48 -3.80 1 99 PHE 3.49 -3.20 1 100 LEU 3.12 -1.28 1 101 GLU 3.21 -1.86 1 102 TYR 0.73 -0.96 1 103 VAL -0.44 -0.71 1 104 VAL -0.20 -0.98 1 106 PHE 2.68 -1.11 1 107 GLU -1.00 -1.22 1 108 LEU 1.50 -1.81 1 110 SER -0.66 -1.83 1 113 LYS 4.14 -1.73 1 114 LEU 3.53 -1.42 1 115 GLN 3.68 -1.80 1 116 LYS 3.13 -1.69 1 117 VAL 3.79 -1.78 1 118 PHE 0.12 -2.18 1 119 LYS 4.15 -1.70 1 123 LYS 1.80 -2.36 1 124 ILE -0.72 -0.52 1 125 LYS -1.40 -0.30 1 126 ILE -3.07 -0.54 1 138 SER 3.68 -0.71 1 139 PHE -3.44 0.67 1 140 VAL -1.39 0.03 1 148 ASN 3.61 -2.14 1 149 ARG -4.58 3.46 1 150 LYS -2.07 0.64 1 151 TYR -0.98 -0.19 1 152 ILE -3.79 2.91 1 154 TYR -1.91 0.13 1 155 TYR -2.67 1.05 1 156 ASP -1.46 -0.60 1 157 GLU 4.26 -2.24 1 158 LYS 1.25 -2.51 1 159 LYS 6.05 -5.00 1 160 GLN -0.51 -1.13 1 161 LEU 1.69 -1.95 1 162 LYS -5.34 2.02 1 164 LEU -1.19 0.94 1 165 TYR -5.06 2.34 1 167 GLU -2.59 0.75 1 168 ILE -7.69 2.79 1 169 SER -0.07 -0.56 1 171 GLN 0.90 -0.94 1 172 VAL -1.01 -0.52 1 173 VAL -5.54 1.71 1 174 LYS 1.21 -2.88 1 176 PHE 0.72 -0.50 1 178 THR 3.97 -1.14 1 181 ASN 2.97 -2.23 1 182 LYS -3.94 0.70 1 183 GLU 1.18 -1.62 1 184 SER -3.38 -0.24 1 185 ASN 0.49 -1.52 1 186 VAL -6.14 2.64 1 187 SER -5.59 4.32 1 188 LEU 1.49 -0.95 1 189 PHE -4.05 2.06 1 190 MET -3.51 1.19 1 191 LYS -0.09 -0.10 1 192 LYS 2.12 -2.65 1 200 GLN 0.27 -0.77 1 201 TYR -0.13 -0.58 1 202 VAL 0.01 -0.80 1 203 LYS 0.08 -0.83 1 204 LYS -0.94 0.09 1 206 ASP -5.54 4.06 1 207 TYR 2.47 -0.84 1 210 ARG 5.22 -1.94 1 211 ASP -0.93 -1.44 1 212 SER 3.54 -0.57 1 213 ILE 7.22 -3.44 1 214 HIS 3.57 0.95 1 218 GLN -0.64 -1.22 1 220 THR 0.15 -0.85 1 221 ASP -1.78 0.55 1 225 PHE 5.12 -2.12 1 226 TYR 4.64 -3.89 1 227 ASN 3.77 -1.27 1 229 ILE 4.08 -4.35 1 230 ASP 2.57 -0.70 1 231 LYS 2.23 -1.99 1 232 LEU 1.00 -1.24 1 233 ASP 0.98 0.54 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17503_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.69 _LACS_plot.Line_1_terminator_val_y_1 -3.37 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.60 _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 7.29 _LACS_plot.Line_2_terminator_val_y_2 2.35 _LACS_plot.Y_axis_chem_shift_offset 0.26 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 233 ASP 0.98 4.57 0 168 ILE -7.69 -0.71 0 154 TYR -1.91 -5.46 0 15 VAL -1.63 -1.84 1 22 LYS 0.30 0.98 1 25 ILE -4.34 -2.52 1 26 TYR 1.54 1.17 1 28 HIS 5.32 2.87 1 29 GLN 2.82 2.44 1 30 TYR 5.55 0.78 1 31 ASN 5.07 3.97 1 32 TYR 5.84 1.62 1 33 ILE 6.53 0.63 1 34 ARG 6.44 0.93 1 35 SER 4.82 2.76 1 36 VAL 5.32 2.70 1 37 ILE 7.23 0.54 1 38 LEU 5.71 2.76 1 39 ARG 4.88 1.90 1 40 LEU 4.44 -0.75 1 41 LYS 4.39 1.49 1 42 ASN 3.97 3.76 1 43 VAL 6.98 1.54 1 44 TYR 1.80 3.09 1 45 LYS 1.73 1.49 1 46 THR -0.97 0.26 1 47 VAL 2.59 -1.38 1 51 GLU 4.34 2.44 1 52 THR 6.73 1.59 1 53 VAL 7.20 0.86 1 54 LYS 4.66 3.28 1 55 VAL 5.98 2.40 1 56 ILE 5.09 4.41 1 57 GLN 5.64 1.92 1 58 SER 4.94 2.27 1 59 GLU 3.28 2.35 1 60 THR 7.30 0.59 1 61 TYR 5.06 1.85 1 62 ASN 4.51 2.31 1 63 ASP 3.54 2.53 1 64 ILE 6.57 1.19 1 65 ASN 3.61 2.49 1 66 GLU 3.13 2.02 1 67 ILE 4.45 0.59 1 68 PHE 3.06 1.99 1 71 ILE -0.24 -2.03 1 72 ASP -2.31 -0.42 1 73 ASP 3.74 1.96 1 74 ASP 3.53 3.08 1 75 ILE 5.21 1.40 1 77 GLU 4.01 2.45 1 79 LEU 4.89 0.89 1 80 LYS 5.25 3.78 1 81 VAL 5.65 2.22 1 82 LEU 2.34 -0.07 1 83 MET -0.70 -2.10 1 84 ASN -1.68 0.05 1 85 ILE 3.84 0.44 1 86 ARG 2.17 -1.15 1 87 LEU 1.45 -1.91 1 88 SER -5.08 0.59 1 91 GLU 3.00 2.69 1 92 ILE 6.85 0.72 1 94 ALA 3.97 3.48 1 95 ILE 5.40 1.06 1 96 LEU 6.34 3.03 1 97 ASN 3.80 2.58 1 98 LYS 5.48 2.96 1 99 PHE 3.49 2.43 1 100 LEU 3.12 2.23 1 101 GLU 3.21 0.96 1 102 TYR 0.73 -1.33 1 103 VAL -0.44 0.34 1 104 VAL -0.20 -1.23 1 106 PHE 2.68 -0.70 1 107 GLU -1.00 -1.63 1 108 LEU 1.50 -0.66 1 110 SER -0.66 -1.40 1 113 LYS 4.14 2.80 1 114 LEU 3.53 0.84 1 115 GLN 3.68 1.55 1 116 LYS 3.13 1.86 1 117 VAL 3.79 0.40 1 118 PHE 0.12 0.26 1 119 LYS 4.15 -0.65 1 123 LYS 1.80 -1.53 1 124 ILE -0.72 -2.28 1 125 LYS -1.40 -2.32 1 126 ILE -3.07 -2.56 1 138 SER 3.68 -3.20 1 139 PHE -3.44 -3.96 1 140 VAL -1.39 -2.01 1 148 ASN 3.61 -1.73 1 149 ARG -4.58 -0.55 1 150 LYS -2.07 -1.85 1 151 TYR -0.98 -1.16 1 152 ILE -3.79 -0.75 1 155 TYR -2.67 0.93 1 156 ASP -1.46 1.67 1 157 GLU 4.26 0.87 1 158 LYS 1.25 -0.91 1 159 LYS 6.05 -1.39 1 160 GLN -0.51 -0.20 1 161 LEU 1.69 -2.57 1 162 LYS -5.34 -2.42 1 164 LEU -1.19 -4.05 1 165 TYR -5.06 -2.18 1 167 GLU -2.59 -0.91 1 169 SER -0.07 -0.41 1 171 GLN 0.90 -0.06 1 172 VAL -1.01 -1.39 1 173 VAL -5.54 -2.29 1 174 LYS 1.21 0.35 1 176 PHE 0.72 -0.73 1 178 THR 3.97 -1.06 1 181 ASN 2.97 -1.73 1 182 LYS -3.94 -0.63 1 183 GLU 1.18 0.10 1 184 SER -3.38 -1.91 1 185 ASN 0.49 -0.23 1 186 VAL -6.14 -2.14 1 187 SER -5.59 -1.83 1 188 LEU 1.49 -2.83 1 189 PHE -4.05 -1.44 1 190 MET -3.51 -2.20 1 191 LYS -0.09 -1.03 1 200 GLN 0.27 -0.51 1 201 TYR -0.13 -0.36 1 202 VAL 0.01 -0.99 1 203 LYS 0.08 -0.75 1 204 LYS -0.94 -1.07 1 206 ASP -5.54 -0.83 1 207 TYR 2.47 0.46 1 210 ARG 5.22 1.32 1 211 ASP -0.93 0.19 1 212 SER 3.54 1.44 1 213 ILE 7.22 0.81 1 214 HIS 3.57 2.81 1 218 GLN -0.64 -0.86 1 220 THR 0.15 -0.97 1 221 ASP -1.78 0.48 1 225 PHE 5.12 0.43 1 226 TYR 4.64 2.27 1 227 ASN 3.77 1.55 1 229 ILE 4.08 2.81 1 230 ASP 2.57 1.42 1 231 LYS 2.23 0.65 1 232 LEU 1.00 -1.28 1 stop_ save_