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 bmr6182_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.90 _LACS_plot.Line_1_terminator_val_y_1 -2.99 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.72 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.23 _LACS_plot.Line_2_terminator_val_x_2 5.80 _LACS_plot.Line_2_terminator_val_y_2 4.41 _LACS_plot.Y_axis_chem_shift_offset -0.09 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 127 HIS -3.70 2.30 0 22 TYR -1.70 -4.70 0 10 GLU 0.00 -0.40 1 11 VAL -4.10 -2.50 1 12 LYS -2.60 -2.00 1 14 VAL 0.60 -0.10 1 15 ASP -1.60 -1.40 1 16 ASN -1.20 -1.60 1 17 PHE 3.20 2.10 1 18 ASP -1.60 -2.90 1 19 TRP 2.40 2.40 1 20 SER 3.80 2.70 1 21 GLN 1.30 -0.20 1 23 HIS -2.40 1.00 1 25 LYS -1.50 0.00 1 28 GLU -0.60 -1.00 1 29 VAL 2.30 1.80 1 30 ALA -4.00 -1.30 1 31 LYS -1.40 -0.40 1 32 TYR -1.10 -3.10 1 34 SER -0.80 0.80 1 36 ASN 1.90 0.70 1 38 LYS 1.60 -1.10 1 39 TYR -2.60 -1.60 1 41 LYS -3.40 -1.60 1 44 TRP -2.40 -0.70 1 45 ALA -5.40 -2.00 1 46 GLU -5.30 -2.00 1 47 TYR -4.00 -1.60 1 48 THR -1.60 -0.40 1 50 GLU -2.10 -1.00 1 52 LYS 1.30 0.70 1 53 SER -4.00 -1.40 1 54 VAL -4.30 -1.10 1 55 LYS 0.50 0.10 1 56 VAL -1.60 -1.30 1 57 SER -1.30 -1.50 1 61 VAL -0.80 -0.30 1 62 ILE -1.00 0.00 1 63 HIS 2.00 1.20 1 65 LYS -3.90 -1.90 1 66 GLU -2.10 -0.30 1 67 TYR -2.00 -0.20 1 68 PHE -4.00 -1.90 1 70 GLU -5.50 -2.20 1 72 THR -2.40 -0.40 1 73 ALA -6.00 -2.30 1 74 TYR 0.30 -0.50 1 76 VAL 3.60 2.80 1 78 ASP -0.50 0.90 1 79 SER 3.40 2.70 1 80 LYS 1.30 0.80 1 81 ILE -0.30 -2.50 1 83 LYS -1.60 -0.20 1 84 ILE -2.80 0.10 1 85 TYR -0.90 0.00 1 86 HIS -3.60 1.40 1 87 SER -3.40 -2.00 1 88 ARG -4.30 -1.20 1 89 THR -0.10 0.00 1 90 VAL -2.30 -0.80 1 93 TYR -3.00 -1.10 1 94 THR 0.70 0.70 1 95 LYS -2.70 -1.20 1 96 LYS -2.80 -1.10 1 97 THR -2.50 -0.40 1 98 VAL -0.40 0.10 1 99 PHE -4.90 -1.80 1 100 ASN -7.90 -1.70 1 101 VAL 0.80 -0.10 1 102 LEU 0.60 0.10 1 103 SER -1.00 -1.30 1 104 THR 1.00 -0.50 1 105 ASP -1.30 -1.50 1 106 ASN 2.30 1.90 1 107 LYS -0.70 3.10 1 108 ASN -1.50 2.30 1 109 TYR -4.10 -0.40 1 110 ILE -5.10 1.30 1 111 ILE -0.40 -0.20 1 113 TYR -7.50 -1.90 1 114 SER -5.20 -1.90 1 116 ARG -3.70 -1.40 1 117 TYR -0.80 0.60 1 118 ASP -3.40 -1.40 1 119 GLU 2.20 2.20 1 120 ASP 2.10 2.20 1 124 HIS -6.20 -1.30 1 125 TRP -4.40 -2.70 1 126 ASP -5.90 -2.00 1 128 VAL -6.70 -3.70 1 129 TRP -5.90 -1.90 1 130 VAL -1.50 -1.10 1 131 LEU -5.50 -2.60 1 132 SER -6.00 -2.90 1 133 ARG 2.70 2.40 1 134 SER -3.50 -2.20 1 135 MET 2.70 3.50 1 136 VAL -3.80 -2.30 1 137 LEU -0.50 0.10 1 138 THR -3.60 -1.50 1 140 GLU 2.90 2.50 1 141 ALA 2.20 2.60 1 142 LYS 4.40 3.50 1 143 THR 5.10 4.20 1 144 ALA 3.50 2.80 1 145 VAL 5.80 4.70 1 146 GLU 4.00 3.40 1 147 ASN 3.40 2.50 1 148 TYR 5.00 4.20 1 149 LEU 3.40 2.60 1 150 ILE 3.20 2.70 1 152 SER -2.70 -0.80 1 154 VAL -0.90 0.20 1 155 VAL -0.20 0.10 1 156 ASP -1.70 -2.30 1 157 SER 4.50 3.40 1 158 GLN 2.60 1.70 1 159 LYS -1.80 -1.10 1 160 LEU 0.40 1.10 1 161 VAL -2.20 -1.50 1 162 TYR -0.60 0.20 1 163 SER -1.60 0.00 1 164 ASP -1.80 -1.40 1 165 PHE 5.60 2.60 1 166 SER -1.40 -0.30 1 167 GLU 3.50 3.10 1 168 ALA 2.90 2.30 1 169 ALA 1.20 2.00 1 171 LYS 2.00 1.40 1 172 VAL -1.80 -1.20 1 173 ASN 0.40 0.30 1 174 ASN 0.10 0.20 1 175 SER 0.50 0.40 1 176 ASN 0.40 0.30 1 177 TRP -0.30 -0.10 1 178 SER -0.30 -0.30 1 179 HIS 0.10 0.80 1 181 GLN 0.30 0.30 1 182 PHE -0.40 -0.30 1 183 GLU -0.90 -0.10 1 184 LYS 0.80 1.50 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6182_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.90 _LACS_plot.Line_1_terminator_val_y_1 4.91 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.28 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.77 _LACS_plot.Line_2_terminator_val_x_2 5.80 _LACS_plot.Line_2_terminator_val_y_2 -1.39 _LACS_plot.Y_axis_chem_shift_offset -0.09 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 127 HIS -3.70 6.00 0 22 TYR -1.70 -3.00 0 10 GLU 0.00 -0.40 1 11 VAL -4.10 1.60 1 12 LYS -2.60 0.60 1 14 VAL 0.60 -0.70 1 15 ASP -1.60 0.20 1 16 ASN -1.20 -0.40 1 17 PHE 3.20 -1.10 1 18 ASP -1.60 -1.30 1 19 TRP 2.40 0.00 1 20 SER 3.80 -1.10 1 21 GLN 1.30 -1.50 1 23 HIS -2.40 3.40 1 25 LYS -1.50 1.50 1 28 GLU -0.60 -0.40 1 29 VAL 2.30 -0.50 1 30 ALA -4.00 2.70 1 31 LYS -1.40 1.00 1 32 TYR -1.10 -2.00 1 34 SER -0.80 1.60 1 36 ASN 1.90 -1.20 1 38 LYS 1.60 -2.70 1 39 TYR -2.60 1.00 1 41 LYS -3.40 1.80 1 44 TRP -2.40 1.70 1 45 ALA -5.40 3.40 1 46 GLU -5.30 3.30 1 47 TYR -4.00 2.40 1 48 THR -1.60 1.20 1 50 GLU -2.10 1.10 1 52 LYS 1.30 -0.60 1 53 SER -4.00 2.60 1 54 VAL -4.30 3.20 1 55 LYS 0.50 -0.40 1 56 VAL -1.60 0.30 1 57 SER -1.30 -0.20 1 61 VAL -0.80 0.50 1 62 ILE -1.00 1.00 1 63 HIS 2.00 -0.80 1 65 LYS -3.90 2.00 1 66 GLU -2.10 1.80 1 67 TYR -2.00 1.80 1 68 PHE -4.00 2.10 1 70 GLU -5.50 3.30 1 72 THR -2.40 2.00 1 73 ALA -6.00 3.70 1 74 TYR 0.30 -0.80 1 76 VAL 3.60 -0.80 1 78 ASP -0.50 1.40 1 79 SER 3.40 -0.70 1 80 LYS 1.30 -0.50 1 81 ILE -0.30 -2.20 1 83 LYS -1.60 1.40 1 84 ILE -2.80 2.90 1 85 TYR -0.90 0.90 1 86 HIS -3.60 5.00 1 87 SER -3.40 1.40 1 88 ARG -4.30 3.10 1 89 THR -0.10 0.10 1 90 VAL -2.30 1.50 1 93 TYR -3.00 1.90 1 94 THR 0.70 0.00 1 95 LYS -2.70 1.50 1 96 LYS -2.80 1.70 1 97 THR -2.50 2.10 1 98 VAL -0.40 0.50 1 99 PHE -4.90 3.10 1 100 ASN -7.90 6.20 1 101 VAL 0.80 -0.90 1 102 LEU 0.60 -0.50 1 103 SER -1.00 -0.30 1 104 THR 1.00 -1.50 1 105 ASP -1.30 -0.20 1 106 ASN 2.30 -0.40 1 107 LYS -0.70 3.80 1 108 ASN -1.50 3.80 1 109 TYR -4.10 3.70 1 110 ILE -5.10 6.40 1 111 ILE -0.40 0.20 1 113 TYR -7.50 5.60 1 114 SER -5.20 3.30 1 116 ARG -3.70 2.30 1 117 TYR -0.80 1.40 1 118 ASP -3.40 2.00 1 119 GLU 2.20 0.00 1 120 ASP 2.10 0.10 1 124 HIS -6.20 4.90 1 125 TRP -4.40 1.70 1 126 ASP -5.90 3.90 1 128 VAL -6.70 3.00 1 129 TRP -5.90 4.00 1 130 VAL -1.50 0.40 1 131 LEU -5.50 2.90 1 132 SER -6.00 3.10 1 133 ARG 2.70 -0.30 1 134 SER -3.50 1.30 1 135 MET 2.70 0.80 1 136 VAL -3.80 1.50 1 137 LEU -0.50 0.60 1 138 THR -3.60 2.10 1 140 GLU 2.90 -0.40 1 141 ALA 2.20 0.40 1 142 LYS 4.40 -0.90 1 143 THR 5.10 -0.90 1 144 ALA 3.50 -0.70 1 145 VAL 5.80 -1.10 1 146 GLU 4.00 -0.60 1 147 ASN 3.40 -0.90 1 148 TYR 5.00 -0.80 1 149 LEU 3.40 -0.80 1 150 ILE 3.20 -0.50 1 152 SER -2.70 1.90 1 154 VAL -0.90 1.10 1 155 VAL -0.20 0.30 1 156 ASP -1.70 -0.60 1 157 SER 4.50 -1.10 1 158 GLN 2.60 -0.90 1 159 LYS -1.80 0.70 1 160 LEU 0.40 0.70 1 161 VAL -2.20 0.70 1 162 TYR -0.60 0.80 1 163 SER -1.60 1.60 1 164 ASP -1.80 0.40 1 165 PHE 5.60 -3.00 1 166 SER -1.40 1.10 1 167 GLU 3.50 -0.40 1 168 ALA 2.90 -0.60 1 169 ALA 1.20 0.80 1 171 LYS 2.00 -0.60 1 172 VAL -1.80 0.60 1 173 ASN 0.40 -0.10 1 174 ASN 0.10 0.10 1 175 SER 0.50 -0.10 1 176 ASN 0.40 -0.10 1 177 TRP -0.30 0.20 1 178 SER -0.30 0.00 1 179 HIS 0.10 0.70 1 181 GLN 0.30 0.00 1 182 PHE -0.40 0.10 1 183 GLU -0.90 0.80 1 184 LYS 0.80 0.70 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6182_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.90 _LACS_plot.Line_1_terminator_val_y_1 -2.61 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.25 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.95 _LACS_plot.Line_2_terminator_val_x_2 5.80 _LACS_plot.Line_2_terminator_val_y_2 1.44 _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 104 THR 1.00 -4.70 0 10 GLU 0.00 -0.50 1 11 VAL -4.10 -2.10 1 14 VAL 0.60 -1.40 1 15 ASP -1.60 -0.50 1 16 ASN -1.20 1.10 1 17 PHE 3.20 -1.00 1 18 ASP -1.60 -1.40 1 19 TRP 2.40 1.00 1 20 SER 3.80 1.00 1 21 GLN 1.30 -0.40 1 22 TYR -1.70 -2.90 1 23 HIS -2.40 1.30 1 28 GLU -0.60 -1.80 1 29 VAL 2.30 -0.50 1 30 ALA -4.00 -3.20 1 31 LYS -1.40 -0.10 1 36 ASN 1.90 0.30 1 38 LYS 1.60 -2.80 1 39 TYR -2.60 -2.80 1 41 LYS -3.40 -2.20 1 44 TRP -2.40 -3.70 1 45 ALA -5.40 -3.00 1 46 GLU -5.30 -1.00 1 47 TYR -4.00 1.30 1 50 GLU -2.10 -0.80 1 52 LYS 1.30 -1.00 1 53 SER -4.00 -0.70 1 54 VAL -4.30 -1.90 1 55 LYS 0.50 -1.30 1 56 VAL -1.60 -1.60 1 57 SER -1.30 -1.80 1 61 VAL -0.80 0.80 1 62 ILE -1.00 -0.40 1 63 HIS 2.00 1.50 1 65 LYS -3.90 -2.30 1 66 GLU -2.10 -1.60 1 67 TYR -2.00 -2.90 1 70 GLU -5.50 -0.80 1 72 THR -2.40 -2.40 1 73 ALA -6.00 -0.80 1 76 VAL 3.60 0.80 1 78 ASP -0.50 2.60 1 79 SER 3.40 -0.30 1 80 LYS 1.30 1.00 1 81 ILE -0.30 2.80 1 83 LYS -1.60 -1.60 1 84 ILE -2.80 -3.50 1 85 TYR -0.90 0.00 1 86 HIS -3.60 0.30 1 87 SER -3.40 -1.80 1 88 ARG -4.30 -1.70 1 89 THR -0.10 -0.90 1 90 VAL -2.30 0.50 1 93 TYR -3.00 -1.30 1 94 THR 0.70 -1.40 1 95 LYS -2.70 -1.70 1 96 LYS -2.80 -0.50 1 97 THR -2.50 -1.40 1 98 VAL -0.40 -0.20 1 99 PHE -4.90 -4.80 1 100 ASN -7.90 -0.80 1 101 VAL 0.80 -0.90 1 102 LEU 0.60 -0.30 1 103 SER -1.00 -2.20 1 105 ASP -1.30 0.20 1 106 ASN 2.30 -0.90 1 108 ASN -1.50 0.00 1 109 TYR -4.10 -2.90 1 110 ILE -5.10 -2.20 1 111 ILE -0.40 -1.80 1 113 TYR -7.50 -1.80 1 114 SER -5.20 -3.70 1 116 ARG -3.70 -2.00 1 118 ASP -3.40 -0.90 1 119 GLU 2.20 0.90 1 120 ASP 2.10 1.10 1 124 HIS -6.20 -3.30 1 125 TRP -4.40 0.80 1 126 ASP -5.90 -1.20 1 128 VAL -6.70 -3.60 1 129 TRP -5.90 -3.30 1 130 VAL -1.50 -0.90 1 131 LEU -5.50 -0.10 1 132 SER -6.00 1.30 1 133 ARG 2.70 0.30 1 134 SER -3.50 -0.20 1 135 MET 2.70 -2.60 1 136 VAL -3.80 0.10 1 137 LEU -0.50 -1.60 1 138 THR -3.60 0.10 1 140 GLU 2.90 2.20 1 141 ALA 2.20 0.20 1 142 LYS 4.40 1.10 1 143 THR 5.10 0.90 1 144 ALA 3.50 3.30 1 145 VAL 5.80 1.10 1 146 GLU 4.00 2.40 1 147 ASN 3.40 3.00 1 148 TYR 5.00 2.10 1 149 LEU 3.40 1.80 1 150 ILE 3.20 1.00 1 154 VAL -0.90 -1.70 1 155 VAL -0.20 -2.10 1 156 ASP -1.70 0.80 1 157 SER 4.50 1.90 1 158 GLN 2.60 1.00 1 159 LYS -1.80 0.00 1 160 LEU 0.40 -1.50 1 161 VAL -2.20 0.50 1 162 TYR -0.60 0.90 1 163 SER -1.60 -1.80 1 164 ASP -1.80 0.20 1 165 PHE 5.60 -0.90 1 166 SER -1.40 -0.40 1 167 GLU 3.50 2.60 1 168 ALA 2.90 2.20 1 169 ALA 1.20 2.10 1 171 LYS 2.00 -1.20 1 172 VAL -1.80 0.00 1 173 ASN 0.40 -0.10 1 174 ASN 0.10 0.00 1 175 SER 0.50 -0.30 1 176 ASN 0.40 -0.40 1 177 TRP -0.30 -0.20 1 178 SER -0.30 -1.30 1 181 GLN 0.30 -0.50 1 182 PHE -0.40 -0.40 1 183 GLU -0.90 -1.60 1 stop_ save_