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 bmr7003_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.45 _LACS_plot.Line_1_terminator_val_y_1 -4.91 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -2.58 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -4.50 _LACS_plot.Line_2_terminator_val_x_2 6.87 _LACS_plot.Line_2_terminator_val_y_2 2.40 _LACS_plot.Y_axis_chem_shift_offset 2.98 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 49 THR 4.50 -4.32 0 11 GLU 4.81 0.90 1 12 ILE 4.73 0.17 1 13 ALA 4.65 0.17 1 14 GLN 4.39 0.26 1 15 LEU 5.30 0.60 1 16 MET 4.86 2.44 1 17 SER 4.05 0.53 1 18 LEU 3.95 0.53 1 19 ILE 4.83 1.06 1 20 ILE 3.39 0.57 1 21 ASN 0.01 -1.42 1 22 THR 1.01 -1.90 1 23 PHE 3.20 0.73 1 24 TYR 5.26 0.90 1 25 SER 4.18 0.87 1 26 ASN 0.64 -3.64 1 27 LYS 3.63 0.32 1 28 GLU 2.65 -1.06 1 29 ILE 2.06 -1.61 1 30 PHE 3.66 -0.90 1 31 LEU 3.39 -1.42 1 32 ARG 4.34 -0.27 1 33 GLU 3.40 -0.97 1 34 LEU 5.11 0.34 1 35 ILE 6.88 2.28 1 36 SER 4.44 1.09 1 37 ASN 4.23 0.26 1 38 SER 6.23 2.61 1 39 SER 4.02 0.73 1 40 ASP 4.11 0.61 1 41 ALA 3.10 0.07 1 42 LEU 4.71 0.01 1 43 ASP 4.34 0.31 1 44 LYS 4.56 1.28 1 45 ILE -0.18 -3.65 1 46 ARG 5.20 1.38 1 47 TYR 4.44 0.50 1 48 GLU 3.76 0.78 1 50 LEU 3.52 -0.54 1 51 THR 0.75 -2.32 1 52 ASP -1.14 -3.64 1 54 SER 3.42 -0.06 1 55 LYS 2.48 -1.26 1 56 LEU 1.08 -3.95 1 57 ASP 5.23 0.64 1 58 SER -0.10 -4.05 1 60 LYS 1.43 -1.27 1 61 GLU 0.40 -2.77 1 62 LEU 0.75 -3.93 1 63 HIS -4.21 -2.96 1 64 ILE -2.62 -3.49 1 65 ASN -5.13 -4.72 1 66 LEU -3.56 -4.44 1 67 ILE -2.46 -2.49 1 69 ASN -1.34 -3.22 1 70 LYS 4.06 0.64 1 71 GLN 4.79 0.59 1 72 ASP -0.01 -3.11 1 73 ARG 2.65 -1.59 1 74 THR -6.74 -6.66 1 75 LEU -3.93 -4.05 1 76 THR -0.11 -2.80 1 77 ILE -1.70 -3.39 1 78 VAL -3.58 -4.39 1 79 ASP -6.71 -4.14 1 80 THR 0.75 -5.64 1 82 ILE -0.08 -1.21 1 84 MET -4.57 -2.77 1 85 THR -1.60 -3.53 1 86 LYS 6.64 2.01 1 87 ALA 3.53 -0.52 1 88 ASP 3.68 0.25 1 89 LEU 2.36 0.07 1 90 ILE 3.88 0.93 1 91 ASN 2.54 -0.47 1 92 ASN 2.54 -0.92 1 102 LYS 4.93 0.78 1 103 ALA 3.42 -0.43 1 104 PHE 3.33 -1.11 1 105 MET 4.96 1.62 1 106 GLU 3.83 0.06 1 107 ALA 5.11 -0.16 1 108 LEU 3.92 -0.19 1 109 GLN 3.97 -0.13 1 110 ALA -0.23 -3.39 1 112 ALA -0.20 -2.83 1 113 ASP -3.27 -2.98 1 114 ILE 1.61 -2.10 1 115 SER 3.03 -0.29 1 116 MET 1.21 -1.51 1 117 ILE 5.66 1.24 1 119 GLN 3.17 -1.35 1 120 PHE -0.15 -2.40 1 122 VAL -0.35 -5.08 1 124 PHE 0.70 -3.62 1 125 TYR 4.11 -1.23 1 126 SER 4.51 1.12 1 127 ALA 3.43 -0.06 1 128 TYR 5.56 0.40 1 129 LEU 1.77 -0.16 1 130 VAL -2.40 -4.79 1 131 ALA -4.19 -4.48 1 132 GLU -1.48 -3.47 1 133 LYS -2.46 -3.17 1 134 VAL -2.95 -3.43 1 135 THR -1.10 -2.93 1 136 VAL -2.36 -3.83 1 137 ILE -2.19 -4.81 1 138 THR -3.48 -4.75 1 139 LYS -4.80 -4.09 1 140 HIS -6.29 -3.29 1 141 ASN 3.54 0.27 1 142 ASP 1.01 -2.17 1 143 ASP -6.38 -4.24 1 144 GLU -2.89 -4.95 1 145 GLN -0.58 -2.24 1 146 TYR -5.35 -2.10 1 147 ALA -4.55 -4.71 1 148 TRP -8.45 -4.83 1 149 GLU -4.71 -3.01 1 150 SER -1.22 -1.30 1 155 SER -4.69 -3.82 1 156 PHE -4.82 -5.30 1 157 THR -5.68 -5.60 1 158 VAL -3.85 -3.50 1 159 ARG -4.99 -4.78 1 160 THR 2.80 -0.82 1 161 ASP -2.29 -2.35 1 162 THR 0.42 -3.50 1 164 GLU 0.65 -2.15 1 166 MET -2.43 -3.19 1 168 ARG 1.87 -1.68 1 170 THR -2.23 -2.28 1 171 LYS -3.98 -4.52 1 172 VAL -0.22 -3.00 1 173 ILE 0.08 -2.27 1 174 LEU -0.53 -3.88 1 175 HIS 1.43 -2.10 1 176 LEU 1.94 -1.74 1 177 LYS 0.14 -1.95 1 178 GLU 3.33 0.25 1 179 ASP 0.92 -3.44 1 180 GLN 0.24 -4.42 1 181 THR 3.91 -0.23 1 182 GLU 3.60 -0.67 1 183 TYR 3.65 -0.78 1 184 LEU -1.16 -4.41 1 185 GLU -1.58 -4.35 1 186 GLU 4.29 1.17 1 187 ARG 5.13 0.82 1 188 ARG 1.77 -1.75 1 189 ILE 5.62 1.85 1 190 LYS 5.45 1.61 1 191 GLU 3.47 -0.14 1 192 ILE 5.06 1.59 1 193 VAL 5.91 1.81 1 194 LYS 3.74 -0.10 1 195 LYS 2.35 -0.20 1 196 HIS -2.36 -0.42 1 197 SER 0.62 -2.09 1 202 TYR -2.34 -2.63 1 204 ILE -1.89 -3.65 1 205 THR -1.10 -3.23 1 206 LEU -1.89 -3.69 1 207 PHE -0.76 -3.09 1 208 VAL -1.25 -3.47 1 209 GLU 0.34 -1.05 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr7003_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.45 _LACS_plot.Line_1_terminator_val_y_1 3.54 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -4.57 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.50 _LACS_plot.Line_2_terminator_val_x_2 6.87 _LACS_plot.Line_2_terminator_val_y_2 -4.47 _LACS_plot.Y_axis_chem_shift_offset 2.98 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 49 THR 4.50 -8.82 0 11 GLU 4.81 -3.91 1 12 ILE 4.73 -4.56 1 13 ALA 4.65 -4.48 1 14 GLN 4.39 -4.13 1 15 LEU 5.30 -4.70 1 16 MET 4.86 -2.42 1 17 SER 4.05 -3.52 1 18 LEU 3.95 -3.42 1 19 ILE 4.83 -3.77 1 20 ILE 3.39 -2.82 1 21 ASN 0.01 -1.43 1 22 THR 1.01 -2.91 1 23 PHE 3.20 -2.47 1 24 TYR 5.26 -4.36 1 25 SER 4.18 -3.31 1 26 ASN 0.64 -4.28 1 27 LYS 3.63 -3.31 1 28 GLU 2.65 -3.71 1 29 ILE 2.06 -3.67 1 30 PHE 3.66 -4.56 1 31 LEU 3.39 -4.81 1 32 ARG 4.34 -4.61 1 33 GLU 3.40 -4.37 1 34 LEU 5.11 -4.77 1 35 ILE 6.88 -4.60 1 36 SER 4.44 -3.35 1 37 ASN 4.23 -3.97 1 38 SER 6.23 -3.62 1 39 SER 4.02 -3.29 1 40 ASP 4.11 -3.50 1 41 ALA 3.10 -3.03 1 42 LEU 4.71 -4.70 1 43 ASP 4.34 -4.03 1 44 LYS 4.56 -3.28 1 45 ILE -0.18 -3.47 1 46 ARG 5.20 -3.82 1 47 TYR 4.44 -3.94 1 48 GLU 3.76 -2.98 1 50 LEU 3.52 -4.06 1 51 THR 0.75 -3.07 1 52 ASP -1.14 -2.50 1 54 SER 3.42 -3.48 1 55 LYS 2.48 -3.74 1 56 LEU 1.08 -5.03 1 57 ASP 5.23 -4.59 1 58 SER -0.10 -3.95 1 60 LYS 1.43 -2.70 1 61 GLU 0.40 -3.17 1 62 LEU 0.75 -4.68 1 63 HIS -4.21 1.25 1 64 ILE -2.62 -0.87 1 65 ASN -5.13 0.41 1 66 LEU -3.56 -0.88 1 67 ILE -2.46 -0.03 1 69 ASN -1.34 -1.88 1 70 LYS 4.06 -3.42 1 71 GLN 4.79 -4.20 1 72 ASP -0.01 -3.10 1 73 ARG 2.65 -4.24 1 74 THR -6.74 0.08 1 75 LEU -3.93 -0.12 1 76 THR -0.11 -2.69 1 77 ILE -1.70 -1.69 1 78 VAL -3.58 -0.81 1 79 ASP -6.71 2.57 1 80 THR 0.75 -6.39 1 82 ILE -0.08 -1.13 1 84 MET -4.57 1.80 1 85 THR -1.60 -1.93 1 86 LYS 6.64 -4.63 1 87 ALA 3.53 -4.05 1 88 ASP 3.68 -3.43 1 89 LEU 2.36 -2.29 1 90 ILE 3.88 -2.95 1 91 ASN 2.54 -3.01 1 92 ASN 2.54 -3.46 1 102 LYS 4.93 -4.15 1 103 ALA 3.42 -3.85 1 104 PHE 3.33 -4.44 1 105 MET 4.96 -3.34 1 106 GLU 3.83 -3.77 1 107 ALA 5.11 -5.27 1 108 LEU 3.92 -4.11 1 109 GLN 3.97 -4.10 1 110 ALA -0.23 -3.16 1 112 ALA -0.20 -2.63 1 113 ASP -3.27 0.29 1 114 ILE 1.61 -3.71 1 115 SER 3.03 -3.32 1 116 MET 1.21 -2.72 1 117 ILE 5.66 -4.42 1 119 GLN 3.17 -4.52 1 120 PHE -0.15 -2.25 1 122 VAL -0.35 -4.73 1 124 PHE 0.70 -4.32 1 125 TYR 4.11 -5.34 1 126 SER 4.51 -3.39 1 127 ALA 3.43 -3.49 1 128 TYR 5.56 -5.16 1 129 LEU 1.77 -1.93 1 130 VAL -2.40 -2.39 1 131 ALA -4.19 -0.29 1 132 GLU -1.48 -1.99 1 133 LYS -2.46 -0.71 1 134 VAL -2.95 -0.48 1 135 THR -1.10 -1.83 1 136 VAL -2.36 -1.47 1 137 ILE -2.19 -2.62 1 138 THR -3.48 -1.27 1 139 LYS -4.80 0.71 1 140 HIS -6.29 3.00 1 141 ASN 3.54 -3.27 1 142 ASP 1.01 -3.18 1 143 ASP -6.38 2.14 1 144 GLU -2.89 -2.06 1 145 GLN -0.58 -1.66 1 146 TYR -5.35 3.25 1 147 ALA -4.55 -0.16 1 148 TRP -8.45 3.62 1 149 GLU -4.71 1.70 1 150 SER -1.22 -0.08 1 155 SER -4.69 0.87 1 156 PHE -4.82 -0.48 1 157 THR -5.68 0.08 1 158 VAL -3.85 0.35 1 159 ARG -4.99 0.21 1 160 THR 2.80 -3.62 1 161 ASP -2.29 -0.06 1 162 THR 0.42 -3.92 1 164 GLU 0.65 -2.80 1 166 MET -2.43 -0.76 1 168 ARG 1.87 -3.55 1 170 THR -2.23 -0.05 1 171 LYS -3.98 -0.54 1 172 VAL -0.22 -2.78 1 173 ILE 0.08 -2.35 1 174 LEU -0.53 -3.35 1 175 HIS 1.43 -3.53 1 176 LEU 1.94 -3.68 1 177 LYS 0.14 -2.09 1 178 GLU 3.33 -3.08 1 179 ASP 0.92 -4.36 1 180 GLN 0.24 -4.66 1 181 THR 3.91 -4.14 1 182 GLU 3.60 -4.27 1 183 TYR 3.65 -4.43 1 184 LEU -1.16 -3.25 1 185 GLU -1.58 -2.77 1 186 GLU 4.29 -3.12 1 187 ARG 5.13 -4.31 1 188 ARG 1.77 -3.52 1 189 ILE 5.62 -3.77 1 190 LYS 5.45 -3.84 1 191 GLU 3.47 -3.61 1 192 ILE 5.06 -3.47 1 193 VAL 5.91 -4.10 1 194 LYS 3.74 -3.84 1 195 LYS 2.35 -2.55 1 196 HIS -2.36 1.94 1 197 SER 0.62 -2.71 1 202 TYR -2.34 -0.29 1 204 ILE -1.89 -1.76 1 205 THR -1.10 -2.13 1 206 LEU -1.89 -1.80 1 207 PHE -0.76 -2.33 1 208 VAL -1.25 -2.22 1 209 GLU 0.34 -1.39 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr7003_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.45 _LACS_plot.Line_1_terminator_val_y_1 3.91 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.61 _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 6.87 _LACS_plot.Line_2_terminator_val_y_2 -2.78 _LACS_plot.Y_axis_chem_shift_offset -0.31 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 148 TRP -8.45 0.20 0 11 GLU 4.81 -2.80 1 12 ILE 4.73 -1.85 1 13 ALA 4.65 -6.34 1 14 GLN 4.39 -2.07 1 15 LEU 5.30 -3.45 1 16 MET 4.86 -0.97 1 17 SER 4.05 1.22 1 18 LEU 3.95 -5.21 1 19 ILE 4.83 -0.74 1 20 ILE 3.39 -1.77 1 21 ASN 0.01 2.00 1 22 THR 1.01 4.79 1 23 PHE 3.20 1.62 1 24 TYR 5.26 -0.55 1 25 SER 4.18 0.69 1 26 ASN 0.64 2.53 1 27 LYS 3.63 -1.24 1 28 GLU 2.65 0.27 1 29 ILE 2.06 -0.56 1 30 PHE 3.66 0.54 1 31 LEU 3.39 -3.28 1 32 ARG 4.34 -2.97 1 33 GLU 3.40 -3.51 1 34 LEU 5.11 -5.18 1 35 ILE 6.88 -1.99 1 36 SER 4.44 0.97 1 37 ASN 4.23 -2.00 1 38 SER 6.23 2.40 1 39 SER 4.02 1.21 1 40 ASP 4.11 -2.48 1 41 ALA 3.10 -7.37 1 42 LEU 4.71 -3.13 1 43 ASP 4.34 -2.88 1 44 LYS 4.56 -3.92 1 45 ILE -0.18 -0.27 1 46 ARG 5.20 -3.67 1 47 TYR 4.44 -3.39 1 48 GLU 3.76 -4.16 1 49 THR 4.50 2.64 1 50 LEU 3.52 -4.54 1 51 THR 0.75 2.99 1 52 ASP -1.14 3.83 1 54 SER 3.42 0.76 1 55 LYS 2.48 -1.11 1 56 LEU 1.08 -3.82 1 57 ASP 5.23 -1.15 1 58 SER -0.10 3.05 1 60 LYS 1.43 -0.08 1 61 GLU 0.40 -1.33 1 62 LEU 0.75 1.26 1 63 HIS -4.21 5.75 1 64 ILE -2.62 0.95 1 65 ASN -5.13 3.79 1 66 LEU -3.56 -1.34 1 67 ILE -2.46 2.09 1 69 ASN -1.34 1.62 1 70 LYS 4.06 -2.61 1 71 GLN 4.79 -1.28 1 72 ASP -0.01 0.71 1 73 ARG 2.65 1.55 1 74 THR -6.74 4.61 1 75 LEU -3.93 0.43 1 76 THR -0.11 4.41 1 77 ILE -1.70 0.69 1 78 VAL -3.58 2.03 1 79 ASP -6.71 0.02 1 80 THR 0.75 2.89 1 82 ILE -0.08 2.80 1 84 MET -4.57 1.01 1 85 THR -1.60 3.64 1 86 LYS 6.64 -2.26 1 87 ALA 3.53 -5.28 1 88 ASP 3.68 -1.94 1 89 LEU 2.36 -2.88 1 90 ILE 3.88 -3.02 1 91 ASN 2.54 -0.28 1 92 ASN 2.54 1.06 1 102 LYS 4.93 -2.65 1 103 ALA 3.42 -6.06 1 104 PHE 3.33 0.09 1 105 MET 4.96 -2.94 1 106 GLU 3.83 -3.60 1 107 ALA 5.11 -6.55 1 108 LEU 3.92 -6.85 1 109 GLN 3.97 -0.37 1 110 ALA -0.23 -2.99 1 112 ALA -0.20 -0.92 1 113 ASP -3.27 -1.05 1 114 ILE 1.61 0.68 1 115 SER 3.03 1.91 1 116 MET 1.21 -0.36 1 117 ILE 5.66 0.57 1 119 GLN 3.17 -0.27 1 120 PHE -0.15 0.43 1 122 VAL -0.35 0.53 1 124 PHE 0.70 1.05 1 125 TYR 4.11 -0.75 1 126 SER 4.51 2.48 1 127 ALA 3.43 -4.17 1 128 TYR 5.56 1.01 1 129 LEU 1.77 -3.91 1 130 VAL -2.40 2.66 1 131 ALA -4.19 -1.06 1 132 GLU -1.48 0.37 1 133 LYS -2.46 2.73 1 134 VAL -2.95 1.88 1 135 THR -1.10 4.33 1 136 VAL -2.36 1.48 1 137 ILE -2.19 0.51 1 138 THR -3.48 1.20 1 139 LYS -4.80 3.62 1 140 HIS -6.29 1.53 1 141 ASN 3.54 -0.31 1 142 ASP 1.01 0.46 1 143 ASP -6.38 2.04 1 144 GLU -2.89 2.80 1 145 GLN -0.58 0.16 1 146 TYR -5.35 2.79 1 147 ALA -4.55 -1.23 1 149 GLU -4.71 0.46 1 150 SER -1.22 0.72 1 155 SER -4.69 6.11 1 156 PHE -4.82 4.25 1 157 THR -5.68 3.00 1 158 VAL -3.85 1.17 1 159 ARG -4.99 0.54 1 160 THR 2.80 3.05 1 161 ASP -2.29 -0.13 1 162 THR 0.42 2.66 1 164 GLU 0.65 1.75 1 166 MET -2.43 -0.52 1 168 ARG 1.87 1.42 1 170 THR -2.23 6.64 1 171 LYS -3.98 2.23 1 172 VAL -0.22 1.65 1 173 ILE 0.08 0.99 1 174 LEU -0.53 -0.54 1 175 HIS 1.43 2.76 1 176 LEU 1.94 -3.14 1 177 LYS 0.14 -2.55 1 178 GLU 3.33 -0.57 1 179 ASP 0.92 -1.37 1 180 GLN 0.24 0.37 1 181 THR 3.91 0.25 1 182 GLU 3.60 -0.86 1 183 TYR 3.65 4.91 1 184 LEU -1.16 -1.78 1 185 GLU -1.58 -1.31 1 186 GLU 4.29 -1.68 1 187 ARG 5.13 -2.34 1 188 ARG 1.77 -2.08 1 189 ILE 5.62 -2.12 1 190 LYS 5.45 -3.69 1 191 GLU 3.47 -3.26 1 192 ILE 5.06 -2.65 1 193 VAL 5.91 -2.44 1 194 LYS 3.74 -2.16 1 195 LYS 2.35 -2.68 1 196 HIS -2.36 0.77 1 197 SER 0.62 2.12 1 202 TYR -2.34 5.50 1 204 ILE -1.89 -0.52 1 205 THR -1.10 5.25 1 206 LEU -1.89 -0.88 1 207 PHE -0.76 2.58 1 208 VAL -1.25 0.86 1 209 GLU 0.34 -5.47 1 stop_ save_