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 bmr27090_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.46 _LACS_plot.Line_1_terminator_val_y_1 -2.88 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.70 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.17 _LACS_plot.Line_2_terminator_val_x_2 7.04 _LACS_plot.Line_2_terminator_val_y_2 4.68 _LACS_plot.Y_axis_chem_shift_offset -0.03 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 168 ILE 1.50 -2.65 0 11 THR 2.27 2.47 1 12 VAL -1.49 -1.59 1 13 LEU -6.32 -2.89 1 14 ARG -0.38 -1.36 1 15 ILE -1.31 0.10 1 16 ASP 3.56 1.82 1 17 ASN 2.46 2.73 1 18 ASP -0.96 -0.11 1 20 TRP -4.03 -2.58 1 21 LEU -4.72 -1.25 1 22 VAL 2.46 0.15 1 23 GLN 0.24 1.76 1 24 LYS -4.51 -0.44 1 25 ALA -1.90 -0.42 1 26 GLU -4.57 -1.73 1 27 PHE -0.56 -0.05 1 28 THR -2.22 -1.11 1 29 LYS -1.17 -0.40 1 34 SER -1.21 -0.51 1 35 ALA -1.86 -0.21 1 36 ILE -5.78 -1.95 1 37 MET -3.58 -2.39 1 38 LYS 0.99 0.67 1 39 THR -2.11 -0.77 1 40 LYS -2.10 -0.36 1 41 LEU -7.46 -1.71 1 42 LYS -4.84 -1.82 1 43 ASN 1.61 0.88 1 44 LEU 2.29 1.62 1 45 LEU 1.77 0.98 1 46 THR -1.97 -0.64 1 48 TYR 0.59 1.11 1 49 LYS -3.60 -1.44 1 50 THR -2.94 -1.78 1 51 GLU -4.63 -1.83 1 52 THR -2.86 -1.54 1 53 VAL -2.64 -1.78 1 54 TYR -3.86 -0.89 1 56 ALA 1.61 2.24 1 57 ASP -1.33 -1.00 1 58 ASP 1.95 1.34 1 59 LYS 0.56 0.47 1 60 LEU -4.03 -1.88 1 61 ASP -1.13 -0.68 1 62 ASP -2.22 -1.87 1 63 VAL -2.62 -1.65 1 64 ILE 1.45 -0.25 1 65 LEU -1.56 -1.29 1 66 ASP -1.36 0.19 1 67 ARG -3.85 -0.88 1 68 LYS -4.33 -1.35 1 69 GLU -1.44 0.34 1 70 ALA -4.92 -0.98 1 71 THR -4.24 -2.93 1 72 LEU 0.89 1.08 1 73 SER 0.89 1.68 1 74 PHE -2.57 -0.72 1 75 ILE -1.85 0.03 1 76 ASN -2.30 -1.59 1 78 ASP -0.58 -0.53 1 79 GLU -2.10 -1.26 1 80 TYR -2.32 -0.24 1 81 THR 1.15 0.35 1 82 PHE -4.64 -1.64 1 83 MET -5.88 -1.64 1 84 ASP -2.83 0.85 1 85 THR 3.01 1.90 1 86 THR 3.46 2.67 1 87 ASP -2.21 -1.61 1 88 TYR 4.97 1.00 1 89 THR 3.48 2.68 1 90 MET -1.45 -1.42 1 91 TYR -4.52 -2.24 1 92 GLU -2.73 -0.96 1 93 LEU -5.60 -1.55 1 94 ASN 4.46 2.71 1 95 ALA 2.07 2.74 1 96 GLU 2.59 1.51 1 97 ASP -0.18 1.20 1 98 ILE -1.30 -1.24 1 99 GLU 4.24 3.91 1 100 ALA 2.43 2.11 1 101 VAL -0.71 -0.83 1 102 LEU 7.05 5.79 1 104 TYR -3.35 -2.56 1 105 ILE 1.77 0.39 1 106 GLU -5.92 -2.17 1 107 GLU 2.07 1.62 1 109 MET 0.72 1.61 1 110 GLU -1.07 -0.29 1 111 ASP -0.02 1.57 1 112 VAL 3.50 1.46 1 114 GLU -1.93 -1.01 1 115 ALA -2.35 -1.69 1 116 VAL -2.79 -2.18 1 117 PHE -6.14 -1.16 1 118 PHE -4.24 -1.21 1 119 GLU 2.91 0.21 1 121 ARG -2.25 -1.51 1 122 LEU 1.61 0.72 1 123 VAL -0.71 0.29 1 124 SER -0.54 -0.97 1 125 VAL -5.71 -2.69 1 126 GLU -5.14 -1.98 1 127 LEU -0.47 0.43 1 129 THR 5.11 4.21 1 130 THR -1.35 -0.60 1 131 ILE -4.77 -2.01 1 134 LYS -0.75 -0.65 1 135 VAL 1.99 0.99 1 136 VAL -0.00 -0.88 1 137 TYR -0.96 1.86 1 138 THR 0.01 -1.05 1 139 GLU -2.01 -1.18 1 141 ALA -1.00 -0.45 1 142 ALA -0.29 -0.25 1 143 ARG 0.18 -0.03 1 145 ASP -0.31 0.08 1 146 THR -0.00 0.07 1 147 SER -0.06 0.80 1 149 LYS 0.34 0.05 1 150 VAL 0.33 0.19 1 151 MET -3.25 -2.57 1 152 LYS -2.48 -0.99 1 154 ALA -6.83 -1.98 1 155 LYS -5.06 -1.60 1 156 LEU -1.27 -2.11 1 157 ALA 3.59 2.99 1 158 ASN 0.86 -0.78 1 160 THR 2.50 2.44 1 161 GLU -3.57 -1.68 1 162 ILE -4.83 -1.99 1 163 SER -0.34 -0.69 1 166 ASP 3.20 2.63 1 167 PHE -0.14 -1.61 1 169 GLN -5.41 -3.10 1 170 ILE 4.04 3.55 1 171 ASP 5.51 2.74 1 172 GLU -1.15 0.43 1 173 TRP 0.47 -0.63 1 174 ILE -4.58 -1.88 1 176 ILE -4.56 -1.69 1 177 ASP -3.08 -2.04 1 178 THR 2.14 1.13 1 179 ARG 3.32 1.84 1 180 ASP -1.06 -1.56 1 181 ASN 2.33 1.59 1 182 SER -3.22 -1.28 1 183 PHE -0.92 0.13 1 184 LYS -1.14 -1.37 1 186 ARG 1.06 1.69 1 187 SER 1.50 1.16 1 188 LYS 1.35 0.14 1 189 LYS 0.17 0.91 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27090_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.46 _LACS_plot.Line_1_terminator_val_y_1 4.58 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.30 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.83 _LACS_plot.Line_2_terminator_val_x_2 7.04 _LACS_plot.Line_2_terminator_val_y_2 -2.36 _LACS_plot.Y_axis_chem_shift_offset -0.03 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 168 ILE 1.50 -4.15 0 11 THR 2.27 0.20 1 12 VAL -1.49 -0.10 1 13 LEU -6.32 3.43 1 14 ARG -0.38 -0.98 1 15 ILE -1.31 1.41 1 16 ASP 3.56 -1.74 1 17 ASN 2.46 0.27 1 18 ASP -0.96 0.85 1 20 TRP -4.03 1.45 1 21 LEU -4.72 3.47 1 22 VAL 2.46 -2.31 1 23 GLN 0.24 1.52 1 24 LYS -4.51 4.07 1 25 ALA -1.90 1.48 1 26 GLU -4.57 2.84 1 27 PHE -0.56 0.51 1 28 THR -2.22 1.11 1 29 LYS -1.17 0.77 1 34 SER -1.21 0.70 1 35 ALA -1.86 1.65 1 36 ILE -5.78 3.83 1 37 MET -3.58 1.19 1 38 LYS 0.99 -0.32 1 39 THR -2.11 1.34 1 40 LYS -2.10 1.74 1 41 LEU -7.46 5.75 1 42 LYS -4.84 3.02 1 43 ASN 1.61 -0.73 1 44 LEU 2.29 -0.67 1 45 LEU 1.77 -0.79 1 46 THR -1.97 1.33 1 48 TYR 0.59 0.52 1 49 LYS -3.60 2.16 1 50 THR -2.94 1.16 1 51 GLU -4.63 2.80 1 52 THR -2.86 1.32 1 53 VAL -2.64 0.86 1 54 TYR -3.86 2.97 1 56 ALA 1.61 0.63 1 57 ASP -1.33 0.33 1 58 ASP 1.95 -0.61 1 59 LYS 0.56 -0.09 1 60 LEU -4.03 2.15 1 61 ASP -1.13 0.45 1 62 ASP -2.22 0.35 1 63 VAL -2.62 0.97 1 64 ILE 1.45 -1.70 1 65 LEU -1.56 0.27 1 66 ASP -1.36 1.55 1 67 ARG -3.85 2.97 1 68 LYS -4.33 2.98 1 69 GLU -1.44 1.78 1 70 ALA -4.92 3.94 1 71 THR -4.24 1.31 1 72 LEU 0.89 0.19 1 73 SER 0.89 0.79 1 74 PHE -2.57 1.85 1 75 ILE -1.85 1.88 1 76 ASN -2.30 0.71 1 78 ASP -0.58 0.05 1 79 GLU -2.10 0.84 1 80 TYR -2.32 2.08 1 81 THR 1.15 -0.80 1 82 PHE -4.64 3.00 1 83 MET -5.88 4.24 1 84 ASP -2.83 3.68 1 85 THR 3.01 -1.11 1 86 THR 3.46 -0.79 1 87 ASP -2.21 0.60 1 88 TYR 4.97 -3.97 1 89 THR 3.48 -0.80 1 90 MET -1.45 0.03 1 91 TYR -4.52 2.28 1 92 GLU -2.73 1.77 1 93 LEU -5.60 4.05 1 94 ASN 4.46 -1.75 1 95 ALA 2.07 0.67 1 96 GLU 2.59 -1.08 1 97 ASP -0.18 1.38 1 98 ILE -1.30 0.06 1 99 GLU 4.24 -0.33 1 100 ALA 2.43 -0.32 1 101 VAL -0.71 -0.12 1 102 LEU 7.05 -1.26 1 104 TYR -3.35 0.79 1 105 ILE 1.77 -1.38 1 106 GLU -5.92 3.75 1 107 GLU 2.07 -0.45 1 109 MET 0.72 0.89 1 110 GLU -1.07 0.78 1 111 ASP -0.02 1.59 1 112 VAL 3.50 -2.04 1 114 GLU -1.93 0.92 1 115 ALA -2.35 0.66 1 116 VAL -2.79 0.61 1 117 PHE -6.14 4.98 1 118 PHE -4.24 3.03 1 119 GLU 2.91 -2.70 1 121 ARG -2.25 0.74 1 122 LEU 1.61 -0.89 1 123 VAL -0.71 1.00 1 124 SER -0.54 -0.43 1 125 VAL -5.71 3.02 1 126 GLU -5.14 3.16 1 127 LEU -0.47 0.90 1 129 THR 5.11 -0.90 1 130 THR -1.35 0.75 1 131 ILE -4.77 2.76 1 134 LYS -0.75 0.10 1 135 VAL 1.99 -1.00 1 136 VAL -0.00 -0.88 1 137 TYR -0.96 2.82 1 138 THR 0.01 -1.06 1 139 GLU -2.01 0.83 1 141 ALA -1.00 0.55 1 142 ALA -0.29 0.04 1 143 ARG 0.18 -0.21 1 145 ASP -0.31 0.39 1 146 THR -0.00 0.07 1 147 SER -0.06 0.86 1 149 LYS 0.34 -0.29 1 150 VAL 0.33 -0.14 1 151 MET -3.25 0.68 1 152 LYS -2.48 1.49 1 154 ALA -6.83 4.85 1 155 LYS -5.06 3.46 1 156 LEU -1.27 -0.84 1 157 ALA 3.59 -0.60 1 158 ASN 0.86 -1.64 1 160 THR 2.50 -0.06 1 161 GLU -3.57 1.89 1 162 ILE -4.83 2.84 1 163 SER -0.34 -0.35 1 166 ASP 3.20 -0.57 1 167 PHE -0.14 -1.47 1 169 GLN -5.41 2.31 1 170 ILE 4.04 -0.49 1 171 ASP 5.51 -2.77 1 172 GLU -1.15 1.58 1 173 TRP 0.47 -1.10 1 174 ILE -4.58 2.70 1 176 ILE -4.56 2.87 1 177 ASP -3.08 1.04 1 178 THR 2.14 -1.01 1 179 ARG 3.32 -1.48 1 180 ASP -1.06 -0.50 1 181 ASN 2.33 -0.74 1 182 SER -3.22 1.94 1 183 PHE -0.92 1.05 1 184 LYS -1.14 -0.23 1 186 ARG 1.06 0.63 1 187 SER 1.50 -0.34 1 188 LYS 1.35 -1.21 1 189 LYS 0.17 0.74 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27090_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.46 _LACS_plot.Line_1_terminator_val_y_1 -2.12 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.33 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.10 _LACS_plot.Line_2_terminator_val_x_2 5.51 _LACS_plot.Line_2_terminator_val_y_2 0.35 _LACS_plot.Y_axis_chem_shift_offset 0.71 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 84 ASP -2.83 1.79 0 171 ASP 5.51 -1.43 0 138 THR 0.01 -4.07 0 11 THR 2.27 -2.82 1 12 VAL -1.49 -2.12 1 13 LEU -6.32 -1.90 1 14 ARG -0.38 -0.25 1 15 ILE -1.31 -0.19 1 16 ASP 3.56 -1.01 1 17 ASN 2.46 -1.33 1 20 TRP -4.03 -1.73 1 21 LEU -4.72 -1.37 1 22 VAL 2.46 -1.47 1 23 GLN 0.24 0.30 1 24 LYS -4.51 -2.87 1 25 ALA -1.90 -3.44 1 26 GLU -4.57 -2.32 1 27 PHE -0.56 0.38 1 28 THR -2.22 -2.67 1 34 SER -1.21 -1.28 1 35 ALA -1.86 -1.59 1 36 ILE -5.78 -3.50 1 37 MET -3.58 -0.96 1 38 LYS 0.99 0.09 1 39 THR -2.11 -1.56 1 40 LYS -2.10 -1.69 1 41 LEU -7.46 -1.39 1 42 LYS -4.84 -1.80 1 43 ASN 1.61 1.87 1 44 LEU 2.29 -0.46 1 45 LEU 1.77 1.46 1 46 THR -1.97 1.65 1 48 TYR 0.59 -2.02 1 49 LYS -3.60 -0.86 1 50 THR -2.94 -3.39 1 51 GLU -4.63 -1.29 1 52 THR -2.86 -2.68 1 53 VAL -2.64 -1.98 1 54 TYR -3.86 0.02 1 56 ALA 1.61 -0.15 1 57 ASP -1.33 -0.10 1 58 ASP 1.95 -1.06 1 59 LYS 0.56 -0.83 1 60 LEU -4.03 -2.58 1 61 ASP -1.13 -2.92 1 62 ASP -2.22 -1.30 1 63 VAL -2.62 -1.36 1 64 ILE 1.45 -0.51 1 65 LEU -1.56 -0.48 1 66 ASP -1.36 -1.04 1 67 ARG -3.85 -0.14 1 68 LYS -4.33 -1.34 1 69 GLU -1.44 -0.40 1 70 ALA -4.92 -2.45 1 71 THR -4.24 0.09 1 72 LEU 0.89 -1.36 1 73 SER 0.89 -0.28 1 74 PHE -2.57 -3.81 1 75 ILE -1.85 -1.60 1 76 ASN -2.30 -0.34 1 78 ASP -0.58 -2.45 1 79 GLU -2.10 -1.39 1 80 TYR -2.32 -1.59 1 81 THR 1.15 -1.27 1 82 PHE -4.64 -2.85 1 83 MET -5.88 -0.92 1 85 THR 3.01 0.34 1 86 THR 3.46 0.22 1 87 ASP -2.21 0.40 1 88 TYR 4.97 -1.15 1 89 THR 3.48 -2.10 1 90 MET -1.45 -0.66 1 91 TYR -4.52 -1.83 1 92 GLU -2.73 -1.28 1 93 LEU -5.60 -2.81 1 94 ASN 4.46 0.89 1 95 ALA 2.07 0.84 1 96 GLU 2.59 1.42 1 97 ASP -0.18 0.32 1 98 ILE -1.30 -0.18 1 99 GLU 4.24 1.57 1 100 ALA 2.43 1.76 1 101 VAL -0.71 -0.12 1 104 TYR -3.35 -0.29 1 105 ILE 1.77 -2.02 1 106 GLU -5.92 -1.95 1 107 GLU 2.07 1.04 1 109 MET 0.72 0.86 1 110 GLU -1.07 -0.26 1 111 ASP -0.02 -1.93 1 112 VAL 3.50 -0.10 1 114 GLU -1.93 -1.29 1 115 ALA -2.35 -2.44 1 117 PHE -6.14 -1.45 1 118 PHE -4.24 -1.51 1 119 GLU 2.91 -0.06 1 121 ARG -2.25 -1.33 1 122 LEU 1.61 -1.36 1 123 VAL -0.71 -1.97 1 124 SER -0.54 -2.01 1 125 VAL -5.71 -3.46 1 126 GLU -5.14 -0.42 1 129 THR 5.11 -0.38 1 130 THR -1.35 -0.99 1 134 LYS -0.75 -0.47 1 135 VAL 1.99 -0.08 1 136 VAL -0.00 -0.76 1 137 TYR -0.96 -2.72 1 139 GLU -2.01 -1.35 1 141 ALA -1.00 -0.95 1 142 ALA -0.29 -0.19 1 143 ARG 0.18 0.39 1 145 ASP -0.31 0.57 1 146 THR -0.00 0.27 1 147 SER -0.06 0.66 1 149 LYS 0.34 -0.39 1 151 MET -3.25 -1.05 1 154 ALA -6.83 -2.51 1 155 LYS -5.06 -0.21 1 156 LEU -1.27 1.48 1 157 ALA 3.59 0.28 1 158 ASN 0.86 1.41 1 160 THR 2.50 -2.30 1 161 GLU -3.57 -1.70 1 166 ASP 3.20 -0.10 1 167 PHE -0.14 0.41 1 168 ILE 1.50 -1.63 1 169 GLN -5.41 -1.24 1 170 ILE 4.04 -0.77 1 172 GLU -1.15 -1.35 1 173 TRP 0.47 0.62 1 176 ILE -4.56 -2.82 1 177 ASP -3.08 1.36 1 178 THR 2.14 1.09 1 179 ARG 3.32 1.80 1 180 ASP -1.06 -0.08 1 181 ASN 2.33 -1.78 1 182 SER -3.22 -1.15 1 183 PHE -0.92 -0.52 1 186 ARG 1.06 0.83 1 187 SER 1.50 -0.64 1 188 LYS 1.35 -1.39 1 stop_ save_