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 bmr27413_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.81 _LACS_plot.Line_1_terminator_val_y_1 -4.20 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.46 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.86 _LACS_plot.Line_2_terminator_val_x_2 7.86 _LACS_plot.Line_2_terminator_val_y_2 4.95 _LACS_plot.Y_axis_chem_shift_offset 0.44 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 29 GLN -8.81 -0.24 0 10 GLU 1.54 0.87 1 11 GLU 2.36 1.10 1 12 GLN 3.95 1.98 1 13 GLN 3.95 1.89 1 14 LEU 3.67 1.92 1 15 GLN 4.46 2.20 1 16 LYS 4.65 2.77 1 17 GLU 3.61 1.94 1 18 GLU 3.50 1.69 1 19 GLU 4.60 2.61 1 20 ALA 4.96 2.73 1 21 ARG 5.40 3.44 1 22 LYS 6.20 2.96 1 23 VAL 6.97 4.40 1 24 LYS 5.18 3.20 1 25 SER 3.39 2.34 1 27 ILE -2.59 -1.37 1 28 ARG -3.09 -1.95 1 30 MET -3.62 -1.14 1 31 ARG 4.07 0.47 1 32 LEU -0.22 -0.99 1 35 GLN 7.15 4.73 1 36 ASP 3.62 2.65 1 37 GLU 2.78 2.20 1 39 ALA 4.52 2.12 1 40 LYS 4.46 2.46 1 41 ILE 5.41 3.63 1 42 GLU 4.52 1.89 1 43 ALA 4.39 1.82 1 44 ARG 6.09 0.10 1 45 ILE 5.48 5.14 1 46 ASP 5.37 3.21 1 47 GLU 3.93 2.28 1 48 VAL 5.59 3.22 1 49 VAL 5.93 3.89 1 50 SER 3.84 2.44 1 51 ARG 6.04 3.80 1 52 ALA 1.27 1.19 1 53 GLU 3.02 1.61 1 54 LYS 0.74 -0.18 1 56 LEU 1.46 -0.49 1 57 TYR -2.98 -1.99 1 58 ASN 1.46 -0.30 1 59 GLU 4.03 2.75 1 60 HIS 2.27 0.29 1 61 THR 3.25 2.62 1 62 VAL -1.60 -1.37 1 63 ASP -1.72 -0.86 1 64 ARG 0.74 -0.16 1 65 ALA -1.34 -0.57 1 67 LEU -3.61 -2.46 1 68 ARG -0.43 -0.66 1 69 ASN -4.36 -2.07 1 70 LYS -4.47 -2.33 1 71 TYR -3.54 -3.39 1 72 PHE -2.21 -0.61 1 73 PHE -4.75 -2.91 1 75 GLU 0.14 -1.39 1 78 THR -0.57 -0.93 1 79 TYR 0.71 0.23 1 82 GLN 3.87 1.74 1 83 LEU 1.62 0.93 1 84 GLN 0.49 0.42 1 85 LYS 2.93 1.38 1 90 GLN 2.75 2.03 1 91 GLU 1.34 -0.04 1 92 ARG 0.29 -0.60 1 93 LEU 0.32 -0.61 1 94 TYR 0.09 -0.88 1 98 ASP 0.60 0.14 1 99 VAL 0.16 -0.64 1 100 ASP 0.42 -0.23 1 101 GLU -2.69 -0.88 1 102 ILE 0.62 -0.49 1 104 GLU 4.71 2.96 1 105 TRP 3.83 1.14 1 106 VAL 7.42 3.26 1 107 HIS 4.08 5.40 1 108 GLN 3.32 2.69 1 109 LEU 0.82 0.12 1 110 VAL 1.77 1.22 1 111 ILE 7.87 5.61 1 112 GLN 5.64 3.32 1 113 LYS 4.65 1.93 1 114 LEU 4.29 2.41 1 115 VAL 4.27 2.62 1 116 GLU 3.96 2.33 1 117 HIS 1.54 1.94 1 118 ARG 6.48 0.35 1 119 VAL 4.00 2.65 1 120 ILE -3.08 -2.22 1 122 GLU 1.91 0.58 1 124 PHE 0.80 2.24 1 125 VAL 2.69 1.63 1 126 ASN 0.68 1.20 1 127 SER -2.71 -1.64 1 128 ALA -4.28 -2.72 1 129 VAL -5.16 -3.32 1 130 ILE -1.76 -1.53 1 131 ASN -3.76 -1.72 1 132 ASP -2.71 -1.20 1 133 TYR -2.30 -0.98 1 140 VAL 0.77 -0.53 1 141 SER 0.62 1.10 1 142 HIS -5.40 -1.59 1 143 VAL -1.30 -5.38 1 146 ILE 2.76 2.38 1 147 HIS 0.21 0.66 1 148 ILE -0.18 -1.36 1 149 PHE -1.56 -0.79 1 150 GLU 2.57 1.49 1 151 ARG 0.77 -0.82 1 153 ILE -0.44 -0.47 1 154 VAL -1.14 -1.18 1 155 SER -3.99 -2.65 1 156 VAL -5.41 -5.21 1 157 SER -0.31 0.78 1 158 PHE -2.13 0.97 1 159 PHE -1.66 -0.75 1 160 SER 0.15 -0.67 1 161 ASP -2.00 -3.02 1 162 SER -2.55 -1.13 1 163 ALA -4.12 -1.62 1 164 LEU -1.86 -0.73 1 170 PHE -4.27 -1.63 1 171 GLN -1.92 -0.14 1 172 PHE 3.87 1.34 1 173 LYS 3.05 0.71 1 175 ILE -3.61 -1.48 1 176 ARG -2.09 -2.26 1 177 VAL 0.18 -0.06 1 178 SER 0.48 -0.05 1 179 GLU 4.06 2.67 1 181 VAL -3.65 -0.77 1 182 LEU -1.65 -2.24 1 183 SER -5.90 -2.46 1 184 LEU 1.02 0.01 1 186 VAL 2.69 2.74 1 187 ARG 2.80 1.54 1 188 ARG -1.26 -0.28 1 190 SER -2.70 -2.29 1 191 VAL 0.55 0.23 1 192 THR -0.96 -1.31 1 193 VAL -3.17 -1.97 1 194 LEU -3.56 -1.66 1 195 SER 3.89 3.89 1 197 TYR 2.30 1.29 1 198 ALA -0.88 -1.23 1 199 ALA 0.48 1.46 1 200 ASP -0.26 -0.89 1 201 GLU -4.20 -2.55 1 202 ILE -2.61 -1.65 1 203 THR 3.77 3.30 1 204 HIS 2.12 1.04 1 206 ILE 0.56 0.39 1 209 GLN 0.74 -1.78 1 210 ASP -0.12 0.97 1 211 ILE 0.81 0.12 1 212 LYS -2.36 -1.47 1 213 GLU -1.11 -0.52 1 214 ARG 0.88 -0.04 1 215 ARG 2.40 0.81 1 216 ALA -3.65 -4.00 1 217 VAL -1.00 -1.13 1 218 ILE -0.16 -0.79 1 219 ILE -1.05 -1.92 1 220 LEU -0.13 -1.21 1 223 THR 3.11 -0.33 1 224 ARG -2.16 -0.32 1 225 LEU 0.63 0.00 1 226 ASP -0.74 -0.38 1 227 ALA -0.05 -1.99 1 229 ARG -1.74 -1.64 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27413_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.81 _LACS_plot.Line_1_terminator_val_y_1 4.61 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.54 _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 7.86 _LACS_plot.Line_2_terminator_val_y_2 -2.91 _LACS_plot.Y_axis_chem_shift_offset 0.44 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 29 GLN -8.81 8.57 0 10 GLU 1.54 -0.67 1 11 GLU 2.36 -1.26 1 12 GLN 3.95 -1.97 1 13 GLN 3.95 -2.06 1 14 LEU 3.67 -1.75 1 15 GLN 4.46 -2.26 1 16 LYS 4.65 -1.88 1 17 GLU 3.61 -1.67 1 18 GLU 3.50 -1.81 1 19 GLU 4.60 -1.99 1 20 ALA 4.96 -2.23 1 21 ARG 5.40 -1.96 1 22 LYS 6.20 -3.24 1 23 VAL 6.97 -2.57 1 24 LYS 5.18 -1.98 1 25 SER 3.39 -1.05 1 27 ILE -2.59 1.22 1 28 ARG -3.09 1.14 1 30 MET -3.62 2.48 1 31 ARG 4.07 -3.60 1 32 LEU -0.22 -0.77 1 35 GLN 7.15 -2.42 1 36 ASP 3.62 -0.97 1 37 GLU 2.78 -0.58 1 39 ALA 4.52 -2.40 1 40 LYS 4.46 -2.00 1 41 ILE 5.41 -1.78 1 42 GLU 4.52 -2.63 1 43 ALA 4.39 -2.57 1 44 ARG 6.09 -5.99 1 45 ILE 5.48 -0.34 1 46 ASP 5.37 -2.16 1 47 GLU 3.93 -1.65 1 48 VAL 5.59 -2.37 1 49 VAL 5.93 -2.04 1 50 SER 3.84 -1.40 1 51 ARG 6.04 -2.24 1 52 ALA 1.27 -0.08 1 53 GLU 3.02 -1.41 1 54 LYS 0.74 -0.92 1 56 LEU 1.46 -1.95 1 57 TYR -2.98 0.99 1 58 ASN 1.46 -1.76 1 59 GLU 4.03 -1.28 1 60 HIS 2.27 -1.98 1 61 THR 3.25 -0.63 1 62 VAL -1.60 0.23 1 63 ASP -1.72 0.86 1 64 ARG 0.74 -0.90 1 65 ALA -1.34 0.77 1 67 LEU -3.61 1.15 1 68 ARG -0.43 -0.23 1 69 ASN -4.36 2.29 1 70 LYS -4.47 2.14 1 71 TYR -3.54 0.15 1 72 PHE -2.21 1.60 1 73 PHE -4.75 1.84 1 75 GLU 0.14 -1.53 1 78 THR -0.57 -0.36 1 79 TYR 0.71 -0.48 1 82 GLN 3.87 -2.13 1 83 LEU 1.62 -0.69 1 84 GLN 0.49 -0.07 1 85 LYS 2.93 -1.55 1 90 GLN 2.75 -0.72 1 91 GLU 1.34 -1.38 1 92 ARG 0.29 -0.89 1 93 LEU 0.32 -0.93 1 94 TYR 0.09 -0.97 1 98 ASP 0.60 -0.46 1 99 VAL 0.16 -0.80 1 100 ASP 0.42 -0.65 1 101 GLU -2.69 1.81 1 102 ILE 0.62 -1.11 1 104 GLU 4.71 -1.75 1 105 TRP 3.83 -2.69 1 106 VAL 7.42 -4.16 1 107 HIS 4.08 1.32 1 108 GLN 3.32 -0.63 1 109 LEU 0.82 -0.70 1 110 VAL 1.77 -0.55 1 111 ILE 7.87 -2.26 1 112 GLN 5.64 -2.32 1 113 LYS 4.65 -2.72 1 114 LEU 4.29 -1.88 1 115 VAL 4.27 -1.65 1 116 GLU 3.96 -1.63 1 117 HIS 1.54 0.40 1 118 ARG 6.48 -6.13 1 119 VAL 4.00 -1.35 1 120 ILE -3.08 0.86 1 122 GLU 1.91 -1.33 1 124 PHE 0.80 1.44 1 125 VAL 2.69 -1.06 1 126 ASN 0.68 0.52 1 127 SER -2.71 1.07 1 128 ALA -4.28 1.56 1 129 VAL -5.16 1.84 1 130 ILE -1.76 0.23 1 131 ASN -3.76 2.04 1 132 ASP -2.71 1.51 1 133 TYR -2.30 1.32 1 140 VAL 0.77 -1.30 1 141 SER 0.62 0.48 1 142 HIS -5.40 3.81 1 143 VAL -1.30 -4.08 1 146 ILE 2.76 -0.38 1 147 HIS 0.21 0.45 1 148 ILE -0.18 -1.18 1 149 PHE -1.56 0.77 1 150 GLU 2.57 -1.08 1 151 ARG 0.77 -1.59 1 153 ILE -0.44 -0.03 1 154 VAL -1.14 -0.04 1 155 SER -3.99 1.34 1 156 VAL -5.41 0.20 1 157 SER -0.31 1.09 1 158 PHE -2.13 3.10 1 159 PHE -1.66 0.91 1 160 SER 0.15 -0.82 1 161 ASP -2.00 -1.02 1 162 SER -2.55 1.42 1 163 ALA -4.12 2.50 1 164 LEU -1.86 1.13 1 170 PHE -4.27 2.64 1 171 GLN -1.92 1.78 1 172 PHE 3.87 -2.53 1 173 LYS 3.05 -2.34 1 175 ILE -3.61 2.13 1 176 ARG -2.09 -0.17 1 177 VAL 0.18 -0.24 1 178 SER 0.48 -0.53 1 179 GLU 4.06 -1.39 1 181 VAL -3.65 2.88 1 182 LEU -1.65 -0.59 1 183 SER -5.90 3.44 1 184 LEU 1.02 -1.01 1 186 VAL 2.69 0.05 1 187 ARG 2.80 -1.26 1 188 ARG -1.26 0.98 1 190 SER -2.70 0.41 1 191 VAL 0.55 -0.32 1 192 THR -0.96 -0.35 1 193 VAL -3.17 1.20 1 194 LEU -3.56 1.90 1 195 SER 3.89 0.00 1 197 TYR 2.30 -1.01 1 198 ALA -0.88 -0.35 1 199 ALA 0.48 0.98 1 200 ASP -0.26 -0.63 1 201 GLU -4.20 1.65 1 202 ILE -2.61 0.96 1 203 THR 3.77 -0.47 1 204 HIS 2.12 -1.08 1 206 ILE 0.56 -0.17 1 209 GLN 0.74 -2.52 1 210 ASP -0.12 1.09 1 211 ILE 0.81 -0.69 1 212 LYS -2.36 0.89 1 213 GLU -1.11 0.59 1 214 ARG 0.88 -0.92 1 215 ARG 2.40 -1.59 1 216 ALA -3.65 -0.35 1 217 VAL -1.00 -0.13 1 218 ILE -0.16 -0.63 1 219 ILE -1.05 -0.87 1 220 LEU -0.13 -1.08 1 223 THR 3.11 -3.44 1 224 ARG -2.16 1.84 1 225 LEU 0.63 -0.63 1 226 ASP -0.74 0.36 1 227 ALA -0.05 -1.94 1 229 ARG -1.74 0.10 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27413_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.81 _LACS_plot.Line_1_terminator_val_y_1 -4.49 _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 -1.29 _LACS_plot.Line_2_terminator_val_x_2 7.86 _LACS_plot.Line_2_terminator_val_y_2 3.20 _LACS_plot.Y_axis_chem_shift_offset 0.36 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 52 ALA 1.27 -7.01 0 10 GLU 1.54 1.27 1 11 GLU 2.36 1.55 1 12 GLN 3.95 2.40 1 13 GLN 3.95 2.30 1 14 LEU 3.67 1.97 1 15 GLN 4.46 2.63 1 16 LYS 4.65 1.91 1 17 GLU 3.61 2.66 1 18 GLU 3.50 2.12 1 19 GLU 4.60 1.84 1 20 ALA 4.96 1.54 1 21 ARG 5.40 3.27 1 22 LYS 6.20 3.47 1 23 VAL 6.97 1.44 1 24 LYS 5.18 2.16 1 25 SER 3.39 0.21 1 27 ILE -2.59 -0.33 1 28 ARG -3.09 0.09 1 29 GLN -8.81 -0.84 1 30 MET -3.62 0.09 1 31 ARG 4.07 -0.40 1 32 LEU -0.22 -0.22 1 35 GLN 7.15 2.11 1 36 ASP 3.62 2.95 1 37 GLU 2.78 4.27 1 39 ALA 4.52 2.90 1 40 LYS 4.46 2.24 1 41 ILE 5.41 0.89 1 42 GLU 4.52 1.03 1 43 ALA 4.39 3.29 1 44 ARG 6.09 2.50 1 45 ILE 5.48 1.29 1 46 ASP 5.37 2.85 1 47 GLU 3.93 2.14 1 48 VAL 5.59 1.46 1 49 VAL 5.93 3.15 1 50 SER 3.84 2.52 1 51 ARG 6.04 2.32 1 53 GLU 3.02 1.66 1 54 LYS 0.74 0.12 1 56 LEU 1.46 -0.64 1 57 TYR -2.98 0.09 1 58 ASN 1.46 1.99 1 60 HIS 2.27 0.50 1 61 THR 3.25 -2.02 1 62 VAL -1.60 -1.69 1 63 ASP -1.72 -0.20 1 64 ARG 0.74 -1.16 1 67 LEU -3.61 -2.75 1 68 ARG -0.43 -2.74 1 69 ASN -4.36 -2.27 1 70 LYS -4.47 -3.46 1 71 TYR -3.54 -1.79 1 72 PHE -2.21 -3.35 1 75 GLU 0.14 -0.59 1 78 THR -0.57 -1.93 1 79 TYR 0.71 0.07 1 82 GLN 3.87 2.03 1 83 LEU 1.62 -2.85 1 84 GLN 0.49 1.50 1 85 LYS 2.93 1.94 1 90 GLN 2.75 2.03 1 91 GLU 1.34 -0.09 1 92 ARG 0.29 -0.84 1 93 LEU 0.32 -1.17 1 98 ASP 0.60 0.00 1 99 VAL 0.16 -0.57 1 100 ASP 0.42 -0.46 1 101 GLU -2.69 -0.04 1 104 GLU 4.71 2.12 1 105 TRP 3.83 2.45 1 106 VAL 7.42 2.85 1 107 HIS 4.08 3.28 1 108 GLN 3.32 1.71 1 109 LEU 0.82 -0.19 1 110 VAL 1.77 0.05 1 111 ILE 7.87 1.44 1 112 GLN 5.64 2.01 1 113 LYS 4.65 1.84 1 114 LEU 4.29 1.36 1 115 VAL 4.27 5.25 1 116 GLU 3.96 1.64 1 117 HIS 1.54 -0.62 1 118 ARG 6.48 -0.46 1 119 VAL 4.00 -0.67 1 122 GLU 1.91 1.20 1 124 PHE 0.80 -0.46 1 125 VAL 2.69 1.20 1 126 ASN 0.68 0.70 1 127 SER -2.71 -2.79 1 128 ALA -4.28 -3.54 1 129 VAL -5.16 -0.60 1 130 ILE -1.76 -1.37 1 131 ASN -3.76 -2.39 1 132 ASP -2.71 -1.15 1 133 TYR -2.30 -0.75 1 140 VAL 0.77 -0.90 1 142 HIS -5.40 -1.15 1 146 ILE 2.76 -0.66 1 147 HIS 0.21 2.91 1 148 ILE -0.18 -2.33 1 150 GLU 2.57 1.89 1 153 ILE -0.44 -0.59 1 154 VAL -1.14 -2.96 1 155 SER -3.99 1.39 1 156 VAL -5.41 -1.84 1 157 SER -0.31 -2.22 1 158 PHE -2.13 0.28 1 159 PHE -1.66 -2.49 1 160 SER 0.15 -0.63 1 161 ASP -2.00 0.24 1 162 SER -2.55 -3.05 1 163 ALA -4.12 -2.28 1 164 LEU -1.86 -0.15 1 170 PHE -4.27 -2.84 1 171 GLN -1.92 -0.53 1 172 PHE 3.05 0.28 1 175 ILE -3.61 -2.43 1 176 ARG -2.09 -0.70 1 177 VAL 0.18 -1.12 1 178 SER 4.06 -1.10 1 181 VAL -3.65 -3.51 1 182 LEU -1.65 -2.07 1 183 SER 1.02 0.34 1 186 VAL 2.69 0.26 1 187 ARG 2.80 0.64 1 188 ARG -1.26 -1.66 1 190 SER -2.70 -1.96 1 191 VAL 0.55 -1.91 1 192 THR -0.96 -0.76 1 193 VAL -3.17 -2.29 1 194 LEU -3.56 -1.90 1 195 SER 3.89 1.79 1 197 TYR 2.30 -1.82 1 198 ALA -0.88 0.96 1 199 ALA 0.48 1.73 1 200 ASP -0.26 -2.92 1 201 GLU -4.20 -4.07 1 202 ILE 3.77 4.40 1 204 HIS 2.12 2.12 1 206 ILE 0.56 -0.79 1 209 GLN 0.74 -2.53 1 210 ASP -0.12 0.42 1 211 ILE 0.81 -0.80 1 212 LYS -2.36 -0.31 1 213 GLU -1.11 -1.88 1 214 ARG 0.88 1.69 1 215 ARG 2.40 1.36 1 216 ALA -3.65 -1.33 1 217 VAL -1.00 -1.66 1 218 ILE -0.16 -0.49 1 219 ILE -1.05 -3.19 1 220 LEU -0.13 0.36 1 223 THR 3.11 -1.37 1 224 ARG -2.16 -2.89 1 225 LEU 0.63 -0.48 1 226 ASP -0.05 -1.09 1 stop_ save_