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 bmr4798_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -5.92 _LACS_plot.Line_1_terminator_val_y_1 -2.52 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.82 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.38 _LACS_plot.Line_2_terminator_val_x_2 7.05 _LACS_plot.Line_2_terminator_val_y_2 5.88 _LACS_plot.Y_axis_chem_shift_offset -0.10 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 79 PHE -5.92 -1.09 0 13 LEU 0.96 0.66 1 14 THR 2.56 2.61 1 42 GLN -3.96 -1.36 1 43 LEU -4.04 -0.92 1 44 ALA -2.65 -1.24 1 45 ARG 5.23 4.86 1 46 GLU 4.03 3.27 1 47 ASP 2.00 2.95 1 48 PHE 3.99 4.50 1 49 VAL 6.36 5.04 1 50 LYS 4.51 4.18 1 51 ILE 3.99 3.61 1 52 TYR 4.90 5.13 1 53 LYS 3.58 2.85 1 54 GLN 3.18 2.22 1 55 PHE 0.98 1.65 1 65 ALA 3.02 3.00 1 66 ASN 3.85 3.41 1 73 ASP 0.44 -1.66 1 74 LYS 2.72 2.33 1 75 ASP 0.04 -1.59 1 76 ASN 2.06 1.28 1 77 ASN -0.62 -0.65 1 82 PHE 4.31 4.00 1 84 GLU 1.44 1.88 1 85 PHE 3.76 2.80 1 87 THR 5.01 4.28 1 88 VAL 6.15 4.83 1 89 LEU 3.70 2.79 1 90 SER 3.35 2.91 1 96 THR -0.23 0.03 1 97 LEU 4.96 3.95 1 98 GLU 4.51 3.75 1 99 GLU 3.15 2.74 1 101 LEU 3.40 3.47 1 102 SER 4.42 4.30 1 104 ALA 2.98 2.48 1 105 PHE 4.57 4.59 1 106 GLU 2.21 1.96 1 107 LEU 3.53 2.26 1 108 TYR 0.56 1.88 1 109 ASP 0.47 -2.26 1 110 LEU 2.71 2.81 1 111 ASN -0.49 -1.88 1 112 HIS 4.06 1.72 1 113 ASP -1.31 -1.23 1 115 TYR -5.76 -2.59 1 116 ILE -0.86 0.40 1 117 THR -3.19 -1.52 1 118 PHE 4.91 4.60 1 119 ASP 3.45 3.07 1 120 GLU 3.99 3.31 1 121 MET 4.28 4.23 1 122 LEU 3.94 3.03 1 123 THR 6.95 6.00 1 124 ILE 4.94 2.37 1 125 VAL 6.92 5.67 1 126 ALA 4.64 3.42 1 128 VAL 5.89 4.59 1 129 TYR 5.30 4.21 1 130 LYS 3.30 2.97 1 131 MET 1.78 1.31 1 132 MET 1.08 1.41 1 134 SER 1.19 0.92 1 135 MET 0.70 1.20 1 136 VAL -1.69 -0.95 1 137 THR 0.45 0.22 1 138 LEU -1.39 -0.70 1 139 ASN -0.23 -0.01 1 140 GLU 2.62 2.51 1 141 ASP 1.27 0.31 1 142 GLU -2.06 -1.61 1 143 ALA 2.60 4.27 1 146 GLU 5.31 4.53 1 147 MET 3.42 3.68 1 148 ARG 4.13 2.95 1 149 VAL 7.06 5.11 1 150 LYS 5.21 4.81 1 151 LYS 4.08 3.63 1 152 ILE 5.23 4.18 1 153 PHE 6.48 5.79 1 154 LYS 3.69 2.54 1 155 LEU 1.71 2.24 1 156 MET 0.31 2.59 1 157 ASP 1.22 -1.01 1 158 LYS 2.79 2.55 1 159 ASN 0.71 -1.30 1 160 GLU 3.38 1.33 1 161 ASP -0.92 -1.03 1 163 TYR -5.76 -2.59 1 164 ILE -1.28 -0.50 1 165 THR -3.04 -1.38 1 166 LEU 0.01 0.25 1 167 ASP 4.42 3.62 1 168 GLU 2.22 2.52 1 169 PHE 1.86 3.04 1 170 ARG 4.76 4.24 1 171 GLU 2.83 2.57 1 173 SER 3.67 3.30 1 174 LYS 2.21 1.89 1 175 VAL 2.24 1.64 1 176 ASP -1.71 -1.09 1 178 SER 3.78 3.33 1 179 ILE 2.70 1.79 1 180 ILE 1.57 0.66 1 182 ALA 1.38 1.17 1 183 LEU 1.09 1.32 1 186 TYR 0.93 0.76 1 187 ASP 1.04 1.26 1 189 LEU 0.05 0.21 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4798_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -5.92 _LACS_plot.Line_1_terminator_val_y_1 3.40 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.18 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.62 _LACS_plot.Line_2_terminator_val_x_2 7.05 _LACS_plot.Line_2_terminator_val_y_2 -1.17 _LACS_plot.Y_axis_chem_shift_offset -0.10 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 79 PHE -5.92 4.83 0 13 LEU 0.96 -0.30 1 14 THR 2.56 0.05 1 42 GLN -3.96 2.60 1 43 LEU -4.04 3.12 1 44 ALA -2.65 1.41 1 45 ARG 5.23 -0.37 1 46 GLU 4.03 -0.76 1 47 ASP 2.00 0.95 1 48 PHE 3.99 0.51 1 49 VAL 6.36 -1.32 1 50 LYS 4.51 -0.33 1 51 ILE 3.99 -0.38 1 52 TYR 4.90 0.23 1 53 LYS 3.58 -0.73 1 54 GLN 3.18 -0.96 1 55 PHE 0.98 0.67 1 65 ALA 3.02 -0.02 1 66 ASN 3.85 -0.44 1 73 ASP 0.44 -2.10 1 74 LYS 2.72 -0.39 1 75 ASP 0.04 -1.63 1 76 ASN 2.06 -0.78 1 77 ASN -0.62 -0.03 1 82 PHE 4.31 -0.31 1 84 GLU 1.44 0.44 1 85 PHE 3.76 -0.96 1 87 THR 5.01 -0.73 1 88 VAL 6.15 -1.32 1 89 LEU 3.70 -0.91 1 90 SER 3.35 -0.44 1 96 THR -0.23 0.26 1 97 LEU 4.96 -1.01 1 98 GLU 4.51 -0.76 1 99 GLU 3.15 -0.41 1 101 LEU 3.40 0.07 1 102 SER 4.42 -0.12 1 104 ALA 2.98 -0.50 1 105 PHE 4.57 0.02 1 106 GLU 2.21 -0.25 1 107 LEU 3.53 -1.27 1 108 TYR 0.56 1.32 1 109 ASP 0.47 -2.73 1 110 LEU 2.71 0.10 1 111 ASN -0.49 -1.39 1 112 HIS 4.06 -2.34 1 113 ASP -1.31 0.08 1 115 TYR -5.76 3.17 1 116 ILE -0.86 1.26 1 117 THR -3.19 1.67 1 118 PHE 4.91 -0.31 1 119 ASP 3.45 -0.38 1 120 GLU 3.99 -0.68 1 121 MET 4.28 -0.05 1 122 LEU 3.94 -0.91 1 123 THR 6.95 -0.95 1 124 ILE 4.94 -2.57 1 125 VAL 6.92 -1.25 1 126 ALA 4.64 -1.22 1 128 VAL 5.89 -1.30 1 129 TYR 5.30 -1.09 1 130 LYS 3.30 -0.33 1 131 MET 1.78 -0.47 1 132 MET 1.08 0.33 1 134 SER 1.19 -0.27 1 135 MET 0.70 0.50 1 136 VAL -1.69 0.74 1 137 THR 0.45 -0.23 1 138 LEU -1.39 0.69 1 139 ASN -0.23 0.22 1 140 GLU 2.62 -0.11 1 141 ASP 1.27 -0.96 1 142 GLU -2.06 0.45 1 143 ALA 2.60 1.67 1 146 GLU 5.31 -0.78 1 147 MET 3.42 0.26 1 148 ARG 4.13 -1.18 1 149 VAL 7.06 -1.95 1 150 LYS 5.21 -0.40 1 151 LYS 4.08 -0.45 1 152 ILE 5.23 -1.05 1 153 PHE 6.48 -0.69 1 154 LYS 3.69 -1.15 1 155 LEU 1.71 0.53 1 156 MET 0.31 2.28 1 157 ASP 1.22 -2.23 1 158 LYS 2.79 -0.24 1 159 ASN 0.71 -2.01 1 160 GLU 3.38 -2.05 1 161 ASP -0.92 -0.11 1 163 TYR -5.76 3.17 1 164 ILE -1.28 0.78 1 165 THR -3.04 1.66 1 166 LEU 0.01 0.24 1 167 ASP 4.42 -0.80 1 168 GLU 2.22 0.30 1 169 PHE 1.86 1.18 1 170 ARG 4.76 -0.52 1 171 GLU 2.83 -0.26 1 173 SER 3.67 -0.37 1 174 LYS 2.21 -0.32 1 175 VAL 2.24 -0.60 1 176 ASP -1.71 0.62 1 178 SER 3.78 -0.45 1 179 ILE 2.70 -0.91 1 180 ILE 1.57 -0.91 1 182 ALA 1.38 -0.21 1 183 LEU 1.09 0.23 1 186 TYR 0.93 -0.17 1 187 ASP 1.04 0.22 1 189 LEU 0.05 0.16 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4798_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -5.92 _LACS_plot.Line_1_terminator_val_y_1 0.71 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.20 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.25 _LACS_plot.Line_2_terminator_val_x_2 7.05 _LACS_plot.Line_2_terminator_val_y_2 -0.75 _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 45 ARG 5.23 -1.56 0 105 PHE 4.57 -1.58 0 13 LEU 0.96 0.03 1 14 THR 2.56 -0.04 1 42 GLN -3.96 0.74 1 43 LEU -4.04 0.62 1 44 ALA -2.65 0.44 1 46 GLU 4.03 -0.46 1 47 ASP 2.00 -0.29 1 48 PHE 3.99 -0.41 1 49 VAL 6.36 -0.72 1 50 LYS 4.51 -0.39 1 51 ILE 3.99 -0.44 1 52 TYR 4.90 -0.68 1 53 LYS 3.58 -0.38 1 54 GLN 3.18 -0.45 1 55 PHE 0.98 -0.38 1 65 ALA 3.02 -0.74 1 66 ASN 3.85 -0.43 1 73 ASP 0.44 0.05 1 74 LYS 2.72 -0.33 1 75 ASP 0.04 -0.03 1 76 ASN 2.06 -0.37 1 77 ASN -0.62 0.16 1 79 PHE -5.92 0.98 1 82 PHE 4.31 -1.12 1 84 GLU 1.44 -0.44 1 85 PHE 3.76 -0.71 1 87 THR 5.01 -0.46 1 88 VAL 6.15 -0.59 1 89 LEU 3.70 -0.54 1 96 THR -0.23 -0.19 1 97 LEU 4.96 -0.32 1 98 GLU 4.51 -0.40 1 99 GLU 3.15 -0.36 1 101 LEU 3.40 -0.10 1 102 SER 4.42 -0.30 1 104 ALA 2.98 -0.52 1 106 GLU 2.21 -0.41 1 107 LEU 3.53 -0.65 1 108 TYR 0.56 -0.38 1 109 ASP 0.47 -0.23 1 110 LEU 2.71 0.06 1 111 ASN -0.49 -0.10 1 112 HIS 4.06 -0.46 1 113 ASP -1.31 0.01 1 115 TYR -5.76 0.70 1 116 ILE -0.86 0.79 1 117 THR -3.19 0.87 1 118 PHE 4.91 -1.13 1 119 ASP 3.45 -0.37 1 120 GLU 3.99 -0.39 1 121 MET 4.28 -0.33 1 122 LEU 3.94 -0.53 1 123 THR 6.95 -0.52 1 124 ILE 4.94 -0.31 1 125 VAL 6.92 -0.54 1 126 ALA 4.64 -0.37 1 128 VAL 5.89 -0.44 1 129 TYR 5.30 -0.38 1 130 LYS 3.30 -0.38 1 131 MET 1.78 -0.22 1 132 MET 1.08 -0.12 1 134 SER 1.19 -0.51 1 135 MET 0.70 -0.03 1 136 VAL -1.69 0.17 1 137 THR 0.45 -0.22 1 138 LEU -1.39 0.08 1 139 ASN -0.23 -0.05 1 140 GLU 2.62 -0.25 1 141 ASP 1.27 -0.06 1 142 GLU -2.06 0.01 1 143 ALA 2.60 -0.39 1 146 GLU 5.31 -0.58 1 147 MET 3.42 -0.37 1 148 ARG 4.13 -0.28 1 149 VAL 7.06 -0.53 1 150 LYS 5.21 -0.31 1 151 LYS 4.08 -0.24 1 152 ILE 5.23 -0.50 1 153 PHE 6.48 -0.87 1 154 LYS 3.69 -0.17 1 155 LEU 1.71 -0.14 1 156 MET 0.31 -0.13 1 157 ASP 1.22 0.14 1 158 LYS 2.79 -0.25 1 159 ASN 0.71 0.10 1 160 GLU 3.38 -0.50 1 161 ASP -0.92 0.00 1 163 TYR -5.76 0.86 1 164 ILE -1.28 1.09 1 165 THR -3.04 0.61 1 166 LEU 0.01 -0.89 1 167 ASP 4.42 -0.29 1 168 GLU 2.22 -0.20 1 169 PHE 1.86 -0.11 1 170 ARG 4.76 -0.43 1 171 GLU 2.83 -0.27 1 173 SER 3.67 -0.53 1 174 LYS 2.21 -0.25 1 175 VAL 2.24 -0.12 1 176 ASP -1.71 0.11 1 178 SER 3.78 -0.53 1 179 ILE 2.70 -0.17 1 180 ILE 1.57 0.40 1 182 ALA 1.38 -0.10 1 183 LEU 1.09 -0.06 1 186 TYR 0.93 -0.04 1 187 ASP 1.04 -0.14 1 189 LEU 0.05 0.00 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4798_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -5.92 _LACS_plot.Line_1_terminator_val_y_1 -0.75 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.84 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.03 _LACS_plot.Line_2_terminator_val_x_2 7.05 _LACS_plot.Line_2_terminator_val_y_2 1.87 _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 42 GLN -3.96 -2.29 0 115 TYR -5.76 -0.41 0 79 PHE -5.92 -0.45 0 163 TYR -5.76 -0.03 0 13 LEU 0.96 0.50 1 43 LEU -4.04 -1.79 1 44 ALA -2.65 0.69 1 45 ARG 5.23 1.50 1 46 GLU 4.03 2.23 1 47 ASP 2.00 1.31 1 48 PHE 3.99 0.82 1 49 VAL 6.36 0.88 1 50 LYS 4.51 2.64 1 51 ILE 3.99 1.02 1 52 TYR 4.90 1.81 1 53 LYS 3.58 0.94 1 54 GLN 3.18 1.24 1 65 ALA 3.02 1.45 1 73 ASP 0.44 1.37 1 74 LYS 2.72 1.08 1 75 ASP 0.04 -0.15 1 76 ASN 2.06 -0.42 1 77 ASN -0.62 1.57 1 82 PHE 4.31 0.03 1 84 GLU 1.44 2.52 1 85 PHE 3.76 -0.30 1 87 THR 5.01 0.97 1 88 VAL 6.15 2.28 1 89 LEU 3.70 1.30 1 96 THR -0.23 -1.52 1 97 LEU 4.96 0.88 1 98 GLU 4.51 2.89 1 101 LEU 3.40 1.09 1 104 ALA 2.98 0.14 1 105 PHE 4.57 0.61 1 106 GLU 2.21 1.39 1 107 LEU 3.53 -0.37 1 108 TYR 0.56 -0.61 1 109 ASP 0.47 1.15 1 110 LEU 2.71 0.06 1 111 ASN -0.49 0.29 1 112 HIS 4.06 0.16 1 113 ASP -1.31 0.93 1 116 ILE -0.86 0.97 1 117 THR -3.19 1.28 1 118 PHE 4.91 0.78 1 119 ASP 3.45 3.12 1 120 GLU 3.99 0.86 1 121 MET 4.28 2.05 1 122 LEU 3.94 -0.13 1 123 THR 6.95 2.11 1 124 ILE 4.94 1.61 1 125 VAL 6.92 1.76 1 126 ALA 4.64 2.72 1 128 VAL 5.89 1.73 1 129 TYR 5.30 0.24 1 130 LYS 3.30 2.18 1 132 MET 1.08 1.19 1 134 SER 1.19 0.43 1 135 MET 0.70 -0.46 1 136 VAL -1.69 -1.17 1 137 THR 0.45 -0.70 1 138 LEU -1.39 -0.60 1 139 ASN -0.23 1.27 1 140 GLU 2.62 0.33 1 141 ASP 1.27 -0.53 1 142 GLU -2.06 -0.23 1 143 ALA 2.60 1.18 1 146 GLU 5.31 1.76 1 147 MET 3.42 2.83 1 148 ARG 4.13 1.69 1 149 VAL 7.06 1.48 1 150 LYS 5.21 2.57 1 151 LYS 4.08 2.22 1 152 ILE 5.23 1.65 1 153 PHE 6.48 2.65 1 154 LYS 3.69 2.00 1 155 LEU 1.71 0.73 1 156 MET 0.31 1.36 1 157 ASP 1.22 1.74 1 158 LYS 2.79 0.85 1 159 ASN 0.71 -0.93 1 160 GLU 3.38 -1.22 1 161 ASP -0.92 0.96 1 164 ILE -1.28 0.75 1 165 THR -3.04 1.27 1 166 LEU 0.01 0.74 1 167 ASP 4.42 3.01 1 168 GLU 2.22 3.19 1 169 PHE 1.86 2.26 1 170 ARG 4.76 0.75 1 171 GLU 2.83 3.16 1 173 SER 3.67 -0.32 1 174 LYS 2.21 1.10 1 175 VAL 2.24 -0.26 1 178 SER 3.78 1.86 1 180 ILE 1.57 0.63 1 182 ALA 1.38 -0.48 1 183 LEU 1.09 -1.77 1 186 TYR 0.93 -0.07 1 187 ASP 1.04 0.63 1 189 LEU 0.05 -1.68 1 stop_ save_