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 bmr5458_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.40 _LACS_plot.Line_1_terminator_val_y_1 -2.55 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.25 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.82 _LACS_plot.Line_2_terminator_val_x_2 8.40 _LACS_plot.Line_2_terminator_val_y_2 6.64 _LACS_plot.Y_axis_chem_shift_offset -0.48 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 165 THR 3.40 6.60 0 11 ARG 4.90 4.70 1 12 SER 4.60 3.80 1 13 HIS 2.20 3.70 1 14 MET 8.40 5.70 1 15 GLN 5.10 3.60 1 16 LYS 4.50 3.20 1 18 LEU 2.80 2.60 1 19 GLU 3.70 3.20 1 20 VAL 5.50 4.80 1 21 LEU 4.80 3.70 1 22 GLU 4.30 4.30 1 23 HIS 4.20 4.30 1 24 ASN 4.90 2.50 1 25 LEU 3.40 2.50 1 26 ALA 2.70 2.10 1 28 LEU -0.80 -0.80 1 29 ARG 1.20 0.50 1 30 THR -0.60 -0.40 1 32 ARG -3.10 -1.30 1 33 ALA 0.80 1.10 1 34 ASN -3.00 -1.10 1 36 ALA 2.90 2.50 1 37 LEU 1.20 2.40 1 38 LEU -2.80 -0.60 1 39 LEU 3.30 3.80 1 40 HIS -0.80 0.40 1 41 LEU 0.00 0.90 1 42 LYS -0.60 -0.20 1 43 VAL -3.50 -1.40 1 44 GLU 0.50 0.10 1 45 TYR -3.30 -0.60 1 46 TYR 4.30 1.60 1 48 ALA -4.60 -1.90 1 49 HIS -0.80 1.20 1 50 VAL -3.30 -1.70 1 52 LEU 5.60 5.00 1 53 ASN 2.30 1.90 1 54 GLN 1.30 1.80 1 55 ILE -2.80 -0.60 1 56 ALA -5.10 -1.00 1 57 THR -2.90 -1.20 1 58 VAL -3.00 -1.40 1 59 THR -4.60 -1.80 1 60 ALA -4.20 -1.90 1 62 ASP 0.10 0.60 1 64 ARG -2.20 -0.90 1 65 THR -0.90 1.10 1 66 LEU -6.40 -2.10 1 67 VAL -2.40 -1.30 1 68 VAL -2.70 -1.70 1 69 GLN -4.70 -0.70 1 70 SER -1.80 -0.80 1 71 TRP 1.70 0.80 1 72 ASP -2.30 -1.60 1 73 GLN 4.40 3.70 1 74 ASN 3.50 3.00 1 75 ALA 2.60 2.00 1 76 LEU 4.50 3.70 1 77 LYS 4.20 3.40 1 78 ALA 3.20 2.70 1 79 ILE 5.10 4.70 1 80 GLU 4.70 4.50 1 81 LYS 3.80 3.70 1 82 ALA 2.50 2.80 1 83 ILE 4.70 4.70 1 84 ARG 5.30 4.60 1 85 ASP 1.40 1.20 1 86 SER -0.10 1.30 1 87 ASP 0.80 0.10 1 88 LEU 0.50 1.80 1 90 LEU -4.10 -1.80 1 91 ASN -2.20 -0.90 1 93 SER -2.10 -1.10 1 94 ASN 0.30 0.60 1 95 LYS -0.50 -0.70 1 97 ASP 0.10 -0.40 1 98 ALA -4.50 -1.00 1 99 LEU -4.10 -2.00 1 100 TYR -2.00 0.00 1 101 ILE -2.40 -0.40 1 102 ASN -1.20 0.20 1 103 ILE -0.80 -2.10 1 106 LEU -1.70 -0.20 1 107 THR -2.40 -1.10 1 108 GLU 4.00 3.70 1 109 GLU 4.10 3.60 1 110 ARG 2.90 2.40 1 111 ARG 5.10 5.00 1 112 LYS 4.70 4.00 1 113 ASP 3.20 3.50 1 114 LEU 2.40 3.10 1 115 VAL 7.00 5.90 1 116 ARG 5.40 4.20 1 117 ALA 3.70 2.90 1 118 VAL 6.50 5.40 1 119 ARG 5.00 4.00 1 120 GLN 4.70 3.60 1 121 TYR 3.90 2.30 1 122 ALA 4.10 3.60 1 123 GLU 3.90 2.90 1 124 GLU 3.70 3.50 1 126 ARG 5.70 5.20 1 127 VAL 5.80 5.00 1 128 ALA 4.40 3.40 1 129 ILE 5.50 5.30 1 130 ARG 5.90 5.00 1 131 ASN 4.10 3.30 1 132 ILE 5.30 4.10 1 133 ARG 6.80 4.40 1 134 ARG 5.00 4.20 1 135 GLU 3.10 3.20 1 136 ALA 2.70 3.20 1 137 LEU 3.80 2.80 1 138 ASP 4.20 3.80 1 139 LYS 2.20 4.10 1 140 LEU 3.80 3.10 1 141 LYS 4.50 3.90 1 142 LYS 3.40 3.30 1 143 LEU 2.70 3.00 1 144 ALA 3.30 3.10 1 145 LYS 2.80 2.50 1 146 GLU 2.20 2.80 1 147 LEU -0.30 -0.50 1 148 HIS 4.10 1.40 1 149 LEU -0.10 0.20 1 150 SER -2.60 -0.70 1 151 GLU 4.30 4.00 1 152 ASP 3.40 3.70 1 153 GLU 1.70 3.00 1 155 LYS 4.30 3.50 1 156 ARG 4.30 3.70 1 157 ALA 0.50 2.50 1 158 GLU 4.00 3.90 1 159 ALA 3.70 2.60 1 160 GLU 3.60 2.70 1 161 ILE 5.30 3.90 1 162 GLN 4.80 3.60 1 163 LYS 4.60 4.10 1 164 ILE 4.30 5.20 1 166 ASP 4.40 3.80 1 167 GLU 3.20 2.90 1 168 PHE 6.90 6.80 1 169 ILE 5.70 3.00 1 170 ALA 4.20 3.00 1 171 LYS 3.50 3.90 1 172 ALA 5.40 3.50 1 173 ASP 4.60 3.70 1 174 GLN 3.90 3.60 1 175 LEU 3.10 3.30 1 176 ALA 3.20 3.10 1 177 GLU 3.30 3.30 1 178 LYS 3.90 3.30 1 179 LYS 3.30 0.80 1 180 GLU 5.30 5.00 1 181 GLN 4.60 3.50 1 182 GLU 2.00 2.70 1 183 ILE 3.70 4.00 1 184 LEU 0.90 1.30 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5458_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.40 _LACS_plot.Line_1_terminator_val_y_1 3.85 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.75 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 1.18 _LACS_plot.Line_2_terminator_val_x_2 8.40 _LACS_plot.Line_2_terminator_val_y_2 -1.76 _LACS_plot.Y_axis_chem_shift_offset -0.48 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 165 THR 3.40 3.20 0 11 ARG 4.90 -0.20 1 12 SER 4.60 -0.80 1 13 HIS 2.20 1.50 1 14 MET 8.40 -2.70 1 15 GLN 5.10 -1.50 1 16 LYS 4.50 -1.30 1 18 LEU 2.80 -0.20 1 19 GLU 3.70 -0.50 1 20 VAL 5.50 -0.70 1 21 LEU 4.80 -1.10 1 22 GLU 4.30 0.00 1 23 HIS 4.20 0.10 1 24 ASN 4.90 -2.40 1 25 LEU 3.40 -0.90 1 26 ALA 2.70 -0.60 1 28 LEU -0.80 0.00 1 29 ARG 1.20 -0.70 1 30 THR -0.60 0.20 1 32 ARG -3.10 1.80 1 33 ALA 0.80 0.30 1 34 ASN -3.00 1.90 1 36 ALA 2.90 -0.40 1 37 LEU 1.20 1.20 1 38 LEU -2.80 2.20 1 39 LEU 3.30 0.50 1 40 HIS -0.80 1.20 1 41 LEU 0.00 0.90 1 42 LYS -0.60 0.40 1 43 VAL -3.50 2.10 1 44 GLU 0.50 -0.40 1 45 TYR -3.30 2.70 1 46 TYR 4.30 -2.70 1 48 ALA -4.60 2.70 1 49 HIS -0.80 2.00 1 50 VAL -3.30 1.60 1 52 LEU 5.60 -0.60 1 53 ASN 2.30 -0.40 1 54 GLN 1.30 0.50 1 55 ILE -2.80 2.20 1 56 ALA -5.10 4.10 1 57 THR -2.90 1.70 1 58 VAL -3.00 1.60 1 59 THR -4.60 2.80 1 60 ALA -4.20 2.30 1 62 ASP 0.10 0.50 1 64 ARG -2.20 1.30 1 65 THR -0.90 2.00 1 66 LEU -6.40 4.30 1 67 VAL -2.40 1.10 1 68 VAL -2.70 1.00 1 69 GLN -4.70 4.00 1 70 SER -1.80 1.00 1 71 TRP 1.70 -0.90 1 72 ASP -2.30 0.70 1 73 GLN 4.40 -0.70 1 74 ASN 3.50 -0.50 1 75 ALA 2.60 -0.60 1 76 LEU 4.50 -0.80 1 77 LYS 4.20 -0.80 1 78 ALA 3.20 -0.50 1 79 ILE 5.10 -0.40 1 80 GLU 4.70 -0.20 1 81 LYS 3.80 -0.10 1 82 ALA 2.50 0.30 1 83 ILE 4.70 0.00 1 84 ARG 5.30 -0.70 1 85 ASP 1.40 -0.20 1 86 SER -0.10 1.40 1 87 ASP 0.80 -0.70 1 88 LEU 0.50 1.30 1 90 LEU -4.10 2.30 1 91 ASN -2.20 1.30 1 93 SER -2.10 1.00 1 94 ASN 0.30 0.30 1 95 LYS -0.50 -0.20 1 97 ASP 0.10 -0.50 1 98 ALA -4.50 3.50 1 99 LEU -4.10 2.10 1 100 TYR -2.00 2.00 1 101 ILE -2.40 2.00 1 102 ASN -1.20 1.40 1 103 ILE -0.80 -1.30 1 106 LEU -1.70 1.50 1 107 THR -2.40 1.30 1 108 GLU 4.00 -0.30 1 109 GLU 4.10 -0.50 1 110 ARG 2.90 -0.50 1 111 ARG 5.10 -0.10 1 112 LYS 4.70 -0.70 1 113 ASP 3.20 0.30 1 114 LEU 2.40 0.70 1 115 VAL 7.00 -1.10 1 116 ARG 5.40 -1.20 1 117 ALA 3.70 -0.80 1 118 VAL 6.50 -1.10 1 119 ARG 5.00 -1.00 1 120 GLN 4.70 -1.10 1 121 TYR 3.90 -1.60 1 122 ALA 4.10 -0.50 1 123 GLU 3.90 -1.00 1 124 GLU 3.70 -0.20 1 126 ARG 5.70 -0.50 1 127 VAL 5.80 -0.80 1 128 ALA 4.40 -1.00 1 129 ILE 5.50 -0.20 1 130 ARG 5.90 -0.90 1 131 ASN 4.10 -0.80 1 132 ILE 5.30 -1.20 1 133 ARG 6.80 -2.40 1 134 ARG 5.00 -0.80 1 135 GLU 3.10 0.10 1 136 ALA 2.70 0.50 1 137 LEU 3.80 -1.00 1 138 ASP 4.20 -0.40 1 139 LYS 2.20 1.90 1 140 LEU 3.80 -0.70 1 141 LYS 4.50 -0.60 1 142 LYS 3.40 -0.10 1 143 LEU 2.70 0.30 1 144 ALA 3.30 -0.20 1 145 LYS 2.80 -0.30 1 146 GLU 2.20 0.60 1 147 LEU -0.30 -0.20 1 148 HIS 4.10 -2.70 1 149 LEU -0.10 0.30 1 150 SER -2.60 1.90 1 151 GLU 4.30 -0.30 1 152 ASP 3.40 0.30 1 153 GLU 1.70 1.30 1 155 LYS 4.30 -0.80 1 156 ARG 4.30 -0.60 1 157 ALA 0.50 2.00 1 158 GLU 4.00 -0.10 1 159 ALA 3.70 -1.10 1 160 GLU 3.60 -0.90 1 161 ILE 5.30 -1.40 1 162 GLN 4.80 -1.20 1 163 LYS 4.60 -0.50 1 164 ILE 4.30 0.90 1 166 ASP 4.40 -0.60 1 167 GLU 3.20 -0.30 1 168 PHE 6.90 -0.10 1 169 ILE 5.70 -2.70 1 170 ALA 4.20 -1.20 1 171 LYS 3.50 0.40 1 172 ALA 5.40 -1.90 1 173 ASP 4.60 -0.90 1 174 GLN 3.90 -0.30 1 175 LEU 3.10 0.20 1 176 ALA 3.20 -0.10 1 177 GLU 3.30 0.00 1 178 LYS 3.90 -0.60 1 179 LYS 3.30 -2.50 1 180 GLU 5.30 -0.30 1 181 GLN 4.60 -1.10 1 182 GLU 2.00 0.70 1 183 ILE 3.70 0.30 1 184 LEU 0.90 0.40 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5458_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.40 _LACS_plot.Line_1_terminator_val_y_1 -2.68 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.27 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.55 _LACS_plot.Line_2_terminator_val_x_2 8.40 _LACS_plot.Line_2_terminator_val_y_2 4.01 _LACS_plot.Y_axis_chem_shift_offset -0.33 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 13 HIS 2.20 4.80 0 14 MET 8.40 1.00 0 11 ARG 4.90 1.30 1 12 SER 4.60 3.30 1 15 GLN 5.10 2.50 1 16 LYS 4.50 2.90 1 18 LEU 2.80 1.20 1 19 GLU 3.70 3.10 1 20 VAL 5.50 1.90 1 21 LEU 4.80 0.70 1 22 GLU 4.30 2.70 1 23 HIS 4.20 3.80 1 24 ASN 4.90 3.10 1 25 LEU 3.40 1.40 1 26 ALA 2.70 1.30 1 28 LEU -0.80 -1.00 1 29 ARG 1.20 -1.00 1 30 THR -0.60 0.10 1 32 ARG -3.10 -0.50 1 33 ALA 0.80 -1.70 1 34 ASN -3.00 0.30 1 36 ALA 2.90 0.60 1 37 LEU 1.20 -0.30 1 38 LEU -2.80 0.20 1 39 LEU 3.30 -1.10 1 40 HIS -0.80 1.60 1 41 LEU 0.00 -1.50 1 42 LYS -0.60 -0.70 1 43 VAL -3.50 -1.50 1 44 GLU 0.50 -1.70 1 45 TYR -3.30 -1.80 1 46 TYR 4.30 0.40 1 48 ALA -4.60 -2.20 1 49 HIS -0.80 1.50 1 50 VAL -3.30 -2.20 1 52 LEU 5.60 0.40 1 53 ASN 2.30 0.50 1 54 GLN 1.30 1.30 1 55 ILE -2.80 -3.10 1 56 ALA -5.10 -2.50 1 57 THR -2.90 -0.80 1 58 VAL -3.00 -1.50 1 59 THR -4.60 -2.30 1 60 ALA -4.20 -0.70 1 62 ASP 0.10 -0.80 1 64 ARG -2.20 -0.60 1 65 THR -0.90 -1.80 1 66 LEU -6.40 -2.40 1 67 VAL -2.40 -0.60 1 68 VAL -2.70 -1.60 1 69 GLN -4.70 -1.80 1 70 SER -1.80 -0.80 1 71 TRP 1.70 -0.40 1 72 ASP -2.30 0.90 1 73 GLN 4.40 2.70 1 74 ASN 3.50 2.90 1 75 ALA 2.60 1.20 1 76 LEU 4.50 1.50 1 77 LYS 4.20 2.50 1 78 ALA 3.20 3.40 1 79 ILE 5.10 0.40 1 80 GLU 4.70 1.30 1 81 LYS 3.80 0.80 1 82 ALA 2.50 3.20 1 83 ILE 4.70 3.40 1 84 ARG 5.30 1.50 1 85 ASP 1.40 0.50 1 86 SER -0.10 -0.80 1 87 ASP 0.80 1.00 1 88 LEU 0.50 0.60 1 90 LEU -4.10 -1.80 1 91 ASN -2.20 -0.80 1 93 SER -2.10 -0.60 1 94 ASN 0.30 0.50 1 95 LYS -0.50 0.00 1 97 ASP 0.10 -1.20 1 98 ALA -4.50 -1.90 1 99 LEU -4.10 -2.30 1 100 TYR -2.00 0.20 1 101 ILE -2.40 -2.60 1 102 ASN -1.20 -0.80 1 103 ILE -0.80 -1.10 1 106 LEU -1.70 0.50 1 107 THR -2.40 0.90 1 108 GLU 4.00 2.40 1 109 GLU 4.10 2.20 1 110 ARG 2.90 2.60 1 111 ARG 5.10 1.70 1 112 LYS 4.70 3.20 1 113 ASP 3.20 3.00 1 114 LEU 2.40 1.50 1 115 VAL 7.00 1.60 1 116 ARG 5.40 2.80 1 117 ALA 3.70 1.80 1 118 VAL 6.50 1.60 1 119 ARG 5.00 3.50 1 120 GLN 4.70 3.00 1 121 TYR 3.90 4.10 1 122 ALA 4.10 1.20 1 123 GLU 3.90 2.00 1 124 GLU 3.70 4.00 1 126 ARG 5.70 2.50 1 127 VAL 5.80 2.30 1 128 ALA 4.40 3.50 1 129 ILE 5.50 2.00 1 130 ARG 5.90 3.60 1 131 ASN 4.10 2.70 1 132 ILE 5.30 2.00 1 133 ARG 6.80 0.80 1 134 ARG 5.00 2.70 1 135 GLU 3.10 2.90 1 136 ALA 2.70 2.30 1 137 LEU 3.80 2.80 1 138 ASP 4.20 3.50 1 139 LYS 2.20 3.10 1 140 LEU 3.80 -0.30 1 141 LYS 4.50 3.00 1 142 LYS 3.40 2.70 1 143 LEU 2.70 1.10 1 144 ALA 3.30 2.60 1 145 LYS 2.80 2.70 1 146 GLU 2.20 1.90 1 147 LEU -0.30 -0.90 1 148 HIS 4.10 1.10 1 149 LEU -0.10 1.00 1 150 SER -2.60 1.60 1 151 GLU 4.30 2.40 1 152 ASP 3.40 2.90 1 153 GLU 1.70 3.30 1 155 LYS 4.30 3.80 1 156 ARG 4.30 2.60 1 157 ALA 0.50 2.50 1 158 GLU 4.00 3.10 1 159 ALA 3.70 3.00 1 160 GLU 3.60 2.80 1 161 ILE 5.30 3.40 1 162 GLN 4.80 0.80 1 163 LYS 4.60 3.60 1 164 ILE 4.30 1.20 1 165 THR 3.40 1.50 1 166 ASP 4.40 3.30 1 167 GLU 3.20 2.70 1 168 PHE 6.90 2.50 1 169 ILE 5.70 1.00 1 170 ALA 4.20 3.60 1 171 LYS 3.50 2.60 1 172 ALA 5.40 1.10 1 173 ASP 4.60 3.60 1 174 GLN 3.90 3.00 1 175 LEU 3.10 2.50 1 176 ALA 3.20 1.40 1 177 GLU 3.30 2.70 1 178 LYS 3.90 3.10 1 179 LYS 3.30 2.10 1 180 GLU 5.30 1.90 1 181 GLN 4.60 3.20 1 182 GLU 2.00 2.50 1 183 ILE 3.70 0.40 1 184 LEU 0.90 -0.10 1 stop_ save_