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 bmr15963_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.97 _LACS_plot.Line_1_terminator_val_y_1 -2.93 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.86 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.33 _LACS_plot.Line_2_terminator_val_x_2 8.56 _LACS_plot.Line_2_terminator_val_y_2 6.86 _LACS_plot.Y_axis_chem_shift_offset -0.19 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 75 TYR 3.48 -5.21 0 10 THR 4.80 4.07 1 11 TYR 1.37 0.87 1 14 TRP 0.37 0.05 1 15 THR -0.84 -1.56 1 16 VAL 6.50 4.50 1 17 ALA 3.20 3.23 1 18 ASP 4.73 3.43 1 19 TYR 5.43 5.71 1 20 LEU 3.69 3.16 1 21 ALA 3.90 3.56 1 22 ASP -7.13 -5.33 1 23 TRP 6.78 6.00 1 24 SER 4.84 4.85 1 25 ALA 2.94 2.15 1 26 TYR 0.67 0.61 1 27 PHE 4.22 3.84 1 29 ASP -4.43 -2.56 1 30 VAL 1.03 -0.70 1 31 ASN 4.54 1.88 1 36 GLN -3.06 -1.48 1 37 VAL 4.10 0.69 1 38 VAL 4.19 2.01 1 39 ASP -6.08 -4.74 1 41 SER 1.22 0.79 1 42 ASN 0.55 -2.00 1 43 THR -3.56 -2.48 1 46 PHE -5.05 -0.30 1 47 ASN -6.29 -1.99 1 51 PHE -3.04 -1.83 1 52 ASP -7.08 -2.10 1 54 SER -0.28 0.02 1 55 GLN -8.93 -0.91 1 56 TYR -4.13 -0.31 1 57 ALA -7.92 -2.87 1 58 LEU -3.84 -0.93 1 59 LYS -3.97 -2.15 1 60 SER -0.05 -0.43 1 61 THR 1.72 0.54 1 62 ALA -2.11 0.04 1 63 SER -5.85 -3.20 1 64 ASP 0.25 0.59 1 65 ALA -0.52 0.43 1 66 ALA -1.82 0.17 1 67 PHE -7.08 -2.32 1 68 ILE -3.93 -0.29 1 69 ALA -3.87 -1.95 1 72 ASP -0.35 0.45 1 73 LEU -5.40 -0.62 1 74 HIS -2.54 0.15 1 77 LEU 4.25 3.48 1 78 PHE 0.01 -1.08 1 79 SER 0.26 -0.44 1 80 ASN -0.27 0.38 1 82 SER 0.43 0.12 1 83 HIS 1.37 2.87 1 84 THR 1.62 0.38 1 85 LEU -4.40 -0.62 1 86 TRP -2.92 -2.00 1 88 LYS -3.11 -1.39 1 89 LEU -4.94 -1.09 1 90 ASP -3.07 0.85 1 91 SER -4.37 -1.38 1 92 ILE -4.98 -1.34 1 93 ALA -4.11 -1.51 1 94 LEU -2.32 -1.40 1 96 ASP -4.77 -0.40 1 97 THR 7.37 2.90 1 98 LEU -0.63 0.20 1 99 THR -3.94 -1.58 1 102 ALA 2.74 2.97 1 103 SER 2.21 1.60 1 104 SER -0.57 -0.46 1 107 TYR -1.63 0.83 1 108 ALA -4.19 -0.79 1 109 LEU -3.23 -2.25 1 110 ASP 1.84 2.50 1 111 SER -1.82 -2.42 1 112 GLN 0.21 0.95 1 113 GLU 1.15 2.04 1 114 VAL -6.78 -1.81 1 115 SER -4.36 -1.93 1 116 PHE -4.02 -1.53 1 117 SER -2.43 -0.52 1 118 ASN 2.33 0.75 1 119 LEU 2.37 2.16 1 121 LEU -0.83 -0.35 1 122 ASP -2.86 -0.25 1 123 SER -3.75 -0.19 1 125 ILE 6.14 3.73 1 126 ALA 1.40 1.45 1 127 GLN 0.87 1.00 1 129 ARG 2.31 1.07 1 130 ASP -0.43 0.44 1 132 THR 6.18 5.58 1 133 VAL 8.57 7.35 1 134 HIS 5.23 7.61 1 135 LYS 4.85 4.98 1 136 VAL 5.73 4.61 1 137 VAL 6.11 5.55 1 138 TYR 3.23 4.61 1 140 LEU 4.30 3.44 1 141 MET 3.68 4.49 1 142 SER -1.89 -1.91 1 144 ASP -2.94 -1.67 1 145 SER 0.06 0.51 1 146 SER 6.69 5.29 1 147 ALA 4.80 3.27 1 148 LEU 4.71 3.33 1 149 GLN 5.47 5.31 1 151 GLN 3.54 1.86 1 152 ILE 5.66 3.57 1 153 ASP 3.23 5.02 1 154 ALA 3.53 2.84 1 155 LEU 2.43 2.92 1 156 LEU 3.86 3.04 1 157 LYS 2.60 2.43 1 158 ALA 1.78 1.24 1 159 VAL 4.38 3.45 1 160 ASP -3.03 0.24 1 162 SER 1.38 1.67 1 163 LEU -2.28 -1.14 1 164 SER -3.90 0.03 1 165 ILE 0.79 1.22 1 166 ASN 0.38 0.69 1 167 SER 1.39 2.06 1 168 THR -3.61 -1.79 1 169 PHE -1.50 -5.00 1 170 ASP 3.37 3.44 1 171 GLN 4.76 3.61 1 172 LEU 3.42 2.41 1 173 ALA 2.73 2.49 1 174 ALA 3.85 2.41 1 175 ALA -1.67 -0.20 1 177 VAL -0.21 0.01 1 178 ALA -8.97 -3.47 1 179 HIS -3.02 0.40 1 180 ALA -2.32 -1.71 1 181 THR -0.08 -0.61 1 183 ALA -0.71 -0.06 1 184 ALA -1.63 -0.19 1 185 ALA -0.47 0.03 1 186 ALA -0.31 -0.03 1 187 ALA -0.41 0.00 1 188 GLU -3.15 -0.01 1 189 VAL 0.48 0.58 1 191 VAL -2.68 -2.55 1 192 VAL 0.33 0.44 1 194 VAL 0.30 0.30 1 195 GLN -0.27 0.29 1 196 GLU -1.76 -0.97 1 197 LEU -1.56 -0.66 1 199 HIS -0.21 1.43 1 200 ASP 0.21 0.36 1 201 LEU 0.46 0.64 1 202 ALA 0.20 0.28 1 203 LEU -0.24 0.02 1 204 ALA -0.42 0.02 1 205 ALA -1.60 0.62 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15963_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.97 _LACS_plot.Line_1_terminator_val_y_1 6.04 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.14 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.67 _LACS_plot.Line_2_terminator_val_x_2 8.56 _LACS_plot.Line_2_terminator_val_y_2 -1.70 _LACS_plot.Y_axis_chem_shift_offset -0.19 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 75 TYR 3.48 -8.69 0 10 THR 4.80 -0.73 1 11 TYR 1.37 -0.50 1 14 TRP 0.37 -0.32 1 15 THR -0.84 -0.72 1 16 VAL 6.50 -2.00 1 17 ALA 3.20 0.03 1 18 ASP 4.73 -1.30 1 19 TYR 5.43 0.28 1 20 LEU 3.69 -0.53 1 21 ALA 3.90 -0.34 1 22 ASP -7.13 1.80 1 23 TRP 6.78 -0.78 1 24 SER 4.84 0.01 1 25 ALA 2.94 -0.79 1 26 TYR 0.67 -0.06 1 27 PHE 4.22 -0.38 1 29 ASP -4.43 1.87 1 30 VAL 1.03 -1.73 1 31 ASN 4.54 -2.66 1 36 GLN -3.06 1.58 1 37 VAL 4.10 -3.41 1 38 VAL 4.19 -2.18 1 39 ASP -6.08 1.34 1 41 SER 1.22 -0.43 1 42 ASN 0.55 -2.55 1 43 THR -3.56 1.08 1 46 PHE -5.05 4.75 1 47 ASN -6.29 4.30 1 51 PHE -3.04 1.21 1 52 ASP -7.08 4.98 1 54 SER -0.28 0.30 1 55 GLN -8.93 8.02 1 56 TYR -4.13 3.82 1 57 ALA -7.92 5.05 1 58 LEU -3.84 2.91 1 59 LYS -3.97 1.82 1 60 SER -0.05 -0.38 1 61 THR 1.72 -1.18 1 62 ALA -2.11 2.15 1 63 SER -5.85 2.65 1 64 ASP 0.25 0.34 1 65 ALA -0.52 0.95 1 66 ALA -1.82 1.99 1 67 PHE -7.08 4.76 1 68 ILE -3.93 3.64 1 69 ALA -3.87 1.92 1 72 ASP -0.35 0.80 1 73 LEU -5.40 4.78 1 74 HIS -2.54 2.69 1 77 LEU 4.25 -0.77 1 78 PHE 0.01 -1.09 1 79 SER 0.26 -0.70 1 80 ASN -0.27 0.65 1 82 SER 0.43 -0.31 1 83 HIS 1.37 1.50 1 84 THR 1.62 -1.24 1 85 LEU -4.40 3.78 1 86 TRP -2.92 0.92 1 88 LYS -3.11 1.72 1 89 LEU -4.94 3.85 1 90 ASP -3.07 3.92 1 91 SER -4.37 2.99 1 92 ILE -4.98 3.64 1 93 ALA -4.11 2.60 1 94 LEU -2.32 0.92 1 96 ASP -4.77 4.37 1 97 THR 7.37 -4.47 1 98 LEU -0.63 0.83 1 99 THR -3.94 2.36 1 102 ALA 2.74 0.23 1 103 SER 2.21 -0.61 1 104 SER -0.57 0.11 1 107 TYR -1.63 2.46 1 108 ALA -4.19 3.40 1 109 LEU -3.23 0.98 1 110 ASP 1.84 0.66 1 111 SER -1.82 -0.60 1 112 GLN 0.21 0.74 1 113 GLU 1.15 0.89 1 114 VAL -6.78 4.97 1 115 SER -4.36 2.43 1 116 PHE -4.02 2.49 1 117 SER -2.43 1.91 1 118 ASN 2.33 -1.58 1 119 LEU 2.37 -0.21 1 121 LEU -0.83 0.48 1 122 ASP -2.86 2.61 1 123 SER -3.75 3.56 1 125 ILE 6.14 -2.41 1 126 ALA 1.40 0.05 1 127 GLN 0.87 0.13 1 129 ARG 2.31 -1.24 1 130 ASP -0.43 0.87 1 132 THR 6.18 -0.60 1 133 VAL 8.57 -1.22 1 134 HIS 5.23 2.38 1 135 LYS 4.85 0.13 1 136 VAL 5.73 -1.12 1 137 VAL 6.11 -0.56 1 138 TYR 3.23 1.38 1 140 LEU 4.30 -0.86 1 141 MET 3.68 0.81 1 142 SER -1.89 -0.02 1 144 ASP -2.94 1.27 1 145 SER 0.06 0.45 1 146 SER 6.69 -1.40 1 147 ALA 4.80 -1.53 1 148 LEU 4.71 -1.38 1 149 GLN 5.47 -0.16 1 151 GLN 3.54 -1.68 1 152 ILE 5.66 -2.09 1 153 ASP 3.23 1.79 1 154 ALA 3.53 -0.69 1 155 LEU 2.43 0.49 1 156 LEU 3.86 -0.82 1 157 LYS 2.60 -0.17 1 158 ALA 1.78 -0.54 1 159 VAL 4.38 -0.93 1 160 ASP -3.03 3.27 1 162 SER 1.38 0.29 1 163 LEU -2.28 1.14 1 164 SER -3.90 3.93 1 165 ILE 0.79 0.43 1 166 ASN 0.38 0.31 1 167 SER 1.39 0.67 1 168 THR -3.61 1.82 1 169 PHE -1.50 -3.50 1 170 ASP 3.37 0.07 1 171 GLN 4.76 -1.15 1 172 LEU 3.42 -1.01 1 173 ALA 2.73 -0.24 1 174 ALA 3.85 -1.44 1 175 ALA -1.67 1.47 1 177 VAL -0.21 0.22 1 178 ALA -8.97 5.50 1 179 HIS -3.02 3.42 1 180 ALA -2.32 0.61 1 181 THR -0.08 -0.53 1 183 ALA -0.71 0.65 1 184 ALA -1.63 1.44 1 185 ALA -0.47 0.50 1 186 ALA -0.31 0.28 1 187 ALA -0.41 0.41 1 188 GLU -3.15 3.14 1 189 VAL 0.48 0.10 1 191 VAL -2.68 0.13 1 192 VAL 0.33 0.11 1 194 VAL 0.30 0.00 1 195 GLN -0.27 0.56 1 196 GLU -1.76 0.79 1 197 LEU -1.56 0.90 1 199 HIS -0.21 1.64 1 200 ASP 0.21 0.15 1 201 LEU 0.46 0.18 1 202 ALA 0.20 0.08 1 203 LEU -0.24 0.26 1 204 ALA -0.42 0.44 1 205 ALA -1.60 2.22 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15963_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.97 _LACS_plot.Line_1_terminator_val_y_1 -3.18 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.54 _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 8.56 _LACS_plot.Line_2_terminator_val_y_2 2.65 _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 97 THR 7.37 -2.06 0 22 ASP -7.13 2.03 0 10 THR 4.80 -0.06 1 11 TYR 1.37 -0.81 1 14 TRP 0.37 0.11 1 15 THR -0.84 0.82 1 16 VAL 6.50 2.10 1 17 ALA 3.20 1.71 1 18 ASP 4.73 3.67 1 19 TYR 5.43 0.95 1 20 LEU 3.69 1.85 1 21 ALA 3.90 2.52 1 23 TRP 6.78 2.46 1 24 SER 4.84 2.28 1 25 ALA 2.94 0.98 1 26 TYR 0.67 1.96 1 27 PHE 4.22 0.84 1 29 ASP -4.43 1.66 1 30 VAL 1.03 0.01 1 31 ASN 4.54 -1.02 1 36 GLN -3.06 -0.92 1 37 VAL 4.10 -2.38 1 38 VAL 4.19 0.31 1 39 ASP -6.08 0.90 1 41 SER 1.22 -0.49 1 42 ASN 0.55 1.08 1 43 THR -3.56 0.95 1 46 PHE -5.05 0.32 1 47 ASN -6.29 1.60 1 51 PHE -3.04 -4.95 1 52 ASP -7.08 -1.48 1 54 SER -0.28 2.17 1 55 GLN -8.93 -0.78 1 56 TYR -4.13 -3.75 1 57 ALA -7.92 -3.48 1 58 LEU -3.84 -3.21 1 59 LYS -3.97 -2.29 1 60 SER -0.05 0.17 1 61 THR 1.72 0.05 1 62 ALA -2.11 -1.27 1 63 SER -5.85 -2.21 1 64 ASP 0.25 -0.52 1 65 ALA -0.52 -2.54 1 66 ALA -1.82 -3.64 1 67 PHE -7.08 -2.92 1 68 ILE -3.93 -0.12 1 69 ALA -3.87 -2.67 1 72 ASP -0.35 -2.62 1 73 LEU -5.40 -1.51 1 74 HIS -2.54 -0.44 1 75 TYR 3.48 -2.25 1 77 LEU 4.25 1.54 1 78 PHE 0.01 -0.50 1 79 SER 0.26 -4.02 1 80 ASN -0.27 0.13 1 82 SER 0.43 0.23 1 83 HIS 1.37 0.73 1 84 THR 1.62 1.59 1 85 LEU -4.40 -3.31 1 86 TRP -2.92 -3.93 1 88 LYS -3.11 -1.48 1 89 LEU -4.94 -4.69 1 90 ASP -3.07 0.41 1 91 SER -4.37 -1.05 1 92 ILE -4.98 -3.71 1 93 ALA -4.11 -3.10 1 94 LEU -2.32 -0.83 1 96 ASP -4.77 -2.24 1 98 LEU -0.63 -1.12 1 99 THR -3.94 -1.06 1 102 ALA 2.74 -3.37 1 103 SER 2.21 0.41 1 104 SER -0.57 -0.12 1 107 TYR -1.63 -0.17 1 108 ALA -4.19 -3.18 1 109 LEU -3.23 -0.61 1 110 ASP 1.84 1.19 1 111 SER -1.82 -1.46 1 112 GLN 0.21 -0.84 1 113 GLU 1.15 -1.32 1 114 VAL -6.78 -2.65 1 115 SER -4.36 -2.21 1 116 PHE -4.02 -1.65 1 117 SER -2.43 -1.77 1 118 ASN 2.33 0.45 1 119 LEU 2.37 1.14 1 121 LEU -0.83 -1.38 1 122 ASP -2.86 -0.37 1 123 SER -3.75 -0.74 1 125 ILE 6.14 0.04 1 126 ALA 1.40 1.18 1 127 GLN 0.87 1.44 1 129 ARG 2.31 -1.53 1 130 ASP -0.43 0.71 1 132 THR 6.18 0.47 1 133 VAL 8.57 0.17 1 134 HIS 5.23 4.25 1 135 LYS 4.85 4.84 1 136 VAL 5.73 1.92 1 137 VAL 6.11 0.56 1 138 TYR 3.23 3.79 1 140 LEU 4.30 1.53 1 141 MET 3.68 -1.34 1 142 SER -1.89 -0.37 1 144 ASP -2.94 -0.78 1 145 SER 0.06 0.59 1 146 SER 6.69 2.51 1 147 ALA 4.80 3.11 1 148 LEU 4.71 0.22 1 149 GLN 5.47 1.78 1 151 GLN 3.54 2.05 1 152 ILE 5.66 0.84 1 153 ASP 3.23 0.88 1 154 ALA 3.53 3.37 1 155 LEU 2.43 2.56 1 156 LEU 3.86 0.88 1 157 LYS 2.60 1.70 1 158 ALA 1.78 1.57 1 159 VAL 4.38 0.32 1 160 ASP -3.03 -1.07 1 162 SER 1.38 -0.07 1 163 LEU -2.28 -2.85 1 164 SER -3.90 0.41 1 165 ILE 0.79 -2.30 1 166 ASN 0.38 -0.41 1 167 SER 1.39 -1.43 1 168 THR -3.61 2.18 1 169 PHE -1.50 1.90 1 170 ASP 3.37 3.79 1 171 GLN 4.76 4.18 1 172 LEU 3.42 1.80 1 173 ALA 2.73 4.35 1 174 ALA 3.85 1.13 1 175 ALA -1.67 -0.19 1 177 VAL -0.21 -2.78 1 178 ALA -8.97 -2.60 1 179 HIS -3.02 -1.57 1 180 ALA -2.32 0.77 1 181 THR -0.08 -0.83 1 183 ALA -0.71 -3.20 1 184 ALA -1.63 -1.55 1 185 ALA -0.47 -0.56 1 186 ALA -0.31 -0.53 1 187 ALA -0.41 -0.19 1 188 GLU -3.15 -0.26 1 189 VAL 0.48 0.26 1 191 VAL -2.68 -1.00 1 192 VAL 0.33 0.11 1 194 VAL 0.30 -0.23 1 195 GLN -0.27 -0.57 1 196 GLU -1.76 -0.78 1 197 LEU -1.56 0.84 1 199 HIS -0.21 0.72 1 200 ASP 0.21 -0.43 1 201 LEU 0.46 -1.49 1 202 ALA 0.20 -0.33 1 203 LEU -0.24 -0.80 1 204 ALA -0.42 -1.90 1 205 ALA -1.60 -2.68 1 stop_ save_