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 bmr5712_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.70 _LACS_plot.Line_1_terminator_val_y_1 -3.12 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.15 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.95 _LACS_plot.Line_2_terminator_val_x_2 7.40 _LACS_plot.Line_2_terminator_val_y_2 4.52 _LACS_plot.Y_axis_chem_shift_offset 0.52 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 164 ALA -8.70 -2.20 0 178 HIS 3.60 5.30 0 11 THR 0.00 -0.50 1 13 ASN -2.80 -1.40 1 16 THR 0.00 -0.50 1 17 THR 0.00 -0.50 1 18 GLU -0.10 -0.60 1 19 GLU 0.20 -0.30 1 20 GLU 0.30 -0.30 1 21 LYS 0.80 -0.40 1 22 THR 0.00 -0.50 1 23 GLU 0.10 -0.50 1 24 SER -0.10 -0.30 1 25 ASN 0.60 -0.10 1 26 GLN 0.40 -0.20 1 27 GLU 0.10 -0.50 1 28 VAL 0.40 -0.60 1 29 ALA -0.10 -0.70 1 30 ASN 0.10 -0.50 1 32 GLU 0.80 -0.20 1 33 HIS -0.60 0.10 1 34 TYR 0.60 0.00 1 35 ILE -0.00 -1.20 1 36 LYS -1.00 -0.60 1 37 HIS 2.60 1.00 1 39 LEU -2.10 -2.70 1 40 GLN 3.80 1.80 1 41 ASN -4.90 -1.80 1 42 ARG -1.50 -2.20 1 43 TRP -5.00 -2.00 1 44 ALA -5.60 -2.60 1 45 LEU -3.40 -1.90 1 46 TRP -3.60 -2.00 1 47 PHE -6.90 -2.60 1 48 PHE -5.10 -1.70 1 49 LYS -2.10 -1.70 1 50 ASN 2.10 0.50 1 51 ASP 0.00 -1.00 1 52 LYS 3.30 0.90 1 53 SER 0.80 0.60 1 54 LYS -3.30 -1.90 1 55 THR -0.60 -0.70 1 56 TRP 7.40 6.20 1 57 GLN 5.70 3.20 1 58 ALA 1.40 0.30 1 59 ASN -1.10 -0.40 1 60 LEU -1.20 -0.50 1 61 ARG -3.90 -1.80 1 62 LEU 2.50 0.20 1 63 ILE 3.20 0.70 1 64 SER -1.70 -0.90 1 65 LYS -4.00 -1.60 1 66 PHE -3.00 -1.10 1 67 ASP -0.40 -0.50 1 68 THR -5.50 -2.00 1 69 VAL 4.90 3.90 1 70 GLU 7.00 4.40 1 71 ASP 2.40 2.30 1 72 PHE 6.60 2.40 1 73 TRP 2.40 1.50 1 74 ALA 3.50 1.90 1 75 LEU 3.60 1.60 1 76 TYR 4.50 3.80 1 77 ASN 2.30 0.90 1 78 HIS 0.50 1.30 1 79 ILE -1.60 -1.30 1 80 GLN 0.80 0.20 1 81 LEU 1.50 0.10 1 84 ASN -1.80 -1.10 1 85 LEU 0.50 -0.80 1 86 MET 1.00 -0.20 1 90 ASP -6.10 -2.30 1 91 TYR -5.10 -1.40 1 92 SER -2.90 -1.20 1 93 LEU -2.20 -1.20 1 94 PHE -7.70 -2.00 1 95 LYS 1.90 0.90 1 96 ASP 1.50 1.00 1 98 ILE -0.10 -0.70 1 99 GLU 0.70 -0.20 1 101 MET -5.70 -2.70 1 103 GLU 3.80 2.20 1 104 ASP -3.90 0.30 1 105 GLU 3.50 2.90 1 106 LYS 2.60 0.20 1 107 ASN -1.20 0.00 1 108 LYS 5.50 4.30 1 109 ARG 2.00 -0.60 1 112 ARG -6.50 -4.60 1 113 TRP -2.30 -0.90 1 114 LEU -4.30 -1.00 1 115 ILE -1.60 -2.20 1 116 THR -0.80 -1.50 1 117 LEU -1.40 -1.30 1 118 ASN -1.20 -1.40 1 119 LYS 5.00 3.10 1 120 GLN 4.50 2.20 1 121 GLN -0.50 0.30 1 122 ARG 4.80 3.20 1 123 ARG 3.50 1.40 1 124 SER 1.20 1.00 1 125 ASP -0.30 1.50 1 126 LEU 5.50 4.80 1 127 ASP 4.60 3.30 1 128 ARG 5.20 2.90 1 129 PHE 1.80 -0.60 1 130 TRP 1.50 1.90 1 131 LEU 6.10 2.90 1 132 GLU 3.40 1.90 1 134 LEU 5.60 2.50 1 135 LEU 5.30 2.00 1 137 LEU 6.00 2.40 1 138 ILE 5.50 2.50 1 140 GLU 4.40 -0.90 1 141 SER 3.40 1.50 1 142 PHE 1.30 -1.50 1 143 ASP 3.50 1.50 1 144 ASP 4.50 2.10 1 145 TYR 1.30 -0.80 1 147 ASP 4.40 2.50 1 148 ASP 0.40 0.90 1 149 VAL 3.30 1.80 1 152 ALA -7.90 -2.10 1 153 VAL -4.90 -1.20 1 154 VAL -5.20 -5.10 1 155 ASN -4.70 -1.80 1 156 VAL 2.60 -0.40 1 157 ARG -5.20 -3.70 1 158 ALA 3.20 1.80 1 159 LYS 1.70 0.20 1 161 ASP -1.50 0.40 1 162 LYS -4.90 -1.60 1 163 ILE -3.30 -1.00 1 165 ILE -1.40 -0.30 1 166 TRP -0.10 -1.30 1 167 THR -0.50 -1.40 1 168 THR 1.00 1.40 1 169 GLU -4.20 -2.50 1 171 GLU 1.30 -0.90 1 172 ASN 1.10 -2.50 1 173 ARG 4.90 3.40 1 174 GLU 4.90 2.90 1 175 ALA 1.00 1.20 1 176 VAL 6.80 5.10 1 177 THR 5.90 4.30 1 179 ILE 4.00 3.00 1 181 ARG 5.10 3.40 1 182 VAL 5.10 3.30 1 183 TYR 1.20 0.20 1 184 LYS 5.00 3.50 1 185 GLU 3.00 1.80 1 186 ARG 3.50 0.40 1 187 LEU 2.20 0.50 1 189 LEU 1.40 -0.70 1 192 LYS 2.50 0.50 1 193 ILE 1.80 -1.60 1 194 VAL -1.40 -1.70 1 195 ILE -1.80 -1.40 1 197 TYR -3.50 -3.60 1 198 GLN -4.70 -3.40 1 199 SER -2.20 -1.80 1 200 HIS 2.40 2.20 1 201 ALA 3.60 1.60 1 202 ASP 3.50 1.70 1 203 THR 4.60 2.60 1 204 ALA 1.50 0.40 1 205 THR 0.20 -0.30 1 206 LYS 1.80 -0.20 1 209 SER 0.30 0.10 1 210 THR 0.00 -0.50 1 211 THR 1.10 0.10 1 212 LYS 0.40 -0.70 1 213 ASN -0.10 -0.80 1 214 ARG 0.90 0.20 1 215 PHE -5.50 -2.80 1 216 VAL -4.80 -2.30 1 217 VAL -0.20 0.60 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5712_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.70 _LACS_plot.Line_1_terminator_val_y_1 5.58 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.85 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.05 _LACS_plot.Line_2_terminator_val_x_2 7.40 _LACS_plot.Line_2_terminator_val_y_2 -2.88 _LACS_plot.Y_axis_chem_shift_offset 0.52 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 164 ALA -8.70 6.50 0 178 HIS 3.60 1.70 0 11 THR 0.00 -0.50 1 13 ASN -2.80 1.40 1 16 THR 0.00 -0.50 1 17 THR 0.00 -0.50 1 18 GLU -0.10 -0.50 1 19 GLU 0.20 -0.50 1 20 GLU 0.30 -0.60 1 21 LYS 0.80 -1.20 1 22 THR 0.00 -0.50 1 23 GLU 0.10 -0.60 1 24 SER -0.10 -0.20 1 25 ASN 0.60 -0.70 1 26 GLN 0.40 -0.60 1 27 GLU 0.10 -0.60 1 28 VAL 0.40 -1.00 1 29 ALA -0.10 -0.60 1 30 ASN 0.10 -0.60 1 32 GLU 0.80 -1.00 1 33 HIS -0.60 0.70 1 34 TYR 0.60 -0.60 1 35 ILE -0.00 -1.20 1 36 LYS -1.00 0.40 1 37 HIS 2.60 -1.60 1 39 LEU -2.10 -0.60 1 40 GLN 3.80 -2.00 1 41 ASN -4.90 3.10 1 42 ARG -1.50 -0.70 1 43 TRP -5.00 3.00 1 44 ALA -5.60 3.00 1 45 LEU -3.40 1.50 1 46 TRP -3.60 1.60 1 47 PHE -6.90 4.30 1 48 PHE -5.10 3.40 1 49 LYS -2.10 0.40 1 50 ASN 2.10 -1.60 1 51 ASP 0.00 -1.00 1 52 LYS 3.30 -2.40 1 53 SER 0.80 -0.20 1 54 LYS -3.30 1.40 1 55 THR -0.60 -0.10 1 56 TRP 7.40 -1.20 1 57 GLN 5.70 -2.50 1 58 ALA 1.40 -1.10 1 59 ASN -1.10 0.70 1 60 LEU -1.20 0.70 1 61 ARG -3.90 2.10 1 62 LEU 2.50 -2.30 1 63 ILE 3.20 -2.50 1 64 SER -1.70 0.80 1 65 LYS -4.00 2.40 1 66 PHE -3.00 1.90 1 67 ASP -0.40 -0.10 1 68 THR -5.50 3.50 1 69 VAL 4.90 -1.00 1 70 GLU 7.00 -2.60 1 71 ASP 2.40 -0.10 1 72 PHE 6.60 -4.20 1 73 TRP 2.40 -0.90 1 74 ALA 3.50 -1.60 1 75 LEU 3.60 -2.00 1 76 TYR 4.50 -0.70 1 77 ASN 2.30 -1.40 1 78 HIS 0.50 0.80 1 79 ILE -1.60 0.30 1 80 GLN 0.80 -0.60 1 81 LEU 1.50 -1.40 1 84 ASN -1.80 0.70 1 85 LEU 0.50 -1.30 1 86 MET 1.00 -1.20 1 90 ASP -6.10 3.80 1 91 TYR -5.10 3.70 1 92 SER -2.90 1.70 1 93 LEU -2.20 1.00 1 94 PHE -7.70 5.70 1 95 LYS 1.90 -1.00 1 96 ASP 1.50 -0.50 1 98 ILE -0.10 -0.60 1 99 GLU 0.70 -0.90 1 101 MET -5.70 3.00 1 103 GLU 3.80 -1.60 1 104 ASP -3.90 4.20 1 105 GLU 3.50 -0.60 1 106 LYS 2.60 -2.40 1 107 ASN -1.20 1.20 1 108 LYS 5.50 -1.20 1 109 ARG 2.00 -2.60 1 112 ARG -6.50 1.90 1 113 TRP -2.30 1.40 1 114 LEU -4.30 3.30 1 115 ILE -1.60 -0.60 1 116 THR -0.80 -0.70 1 117 LEU -1.40 0.10 1 118 ASN -1.20 -0.20 1 119 LYS 5.00 -1.90 1 120 GLN 4.50 -2.30 1 121 GLN -0.50 0.80 1 122 ARG 4.80 -1.60 1 123 ARG 3.50 -2.10 1 124 SER 1.20 -0.20 1 125 ASP -0.30 1.80 1 126 LEU 5.50 -0.70 1 127 ASP 4.60 -1.30 1 128 ARG 5.20 -2.30 1 129 PHE 1.80 -2.40 1 130 TRP 1.50 0.40 1 131 LEU 6.10 -3.20 1 132 GLU 3.40 -1.50 1 134 LEU 5.60 -3.10 1 135 LEU 5.30 -3.30 1 137 LEU 6.00 -3.60 1 138 ILE 5.50 -3.00 1 140 GLU 4.40 -5.30 1 141 SER 3.40 -1.90 1 142 PHE 1.30 -2.80 1 143 ASP 3.50 -2.00 1 144 ASP 4.50 -2.40 1 145 TYR 1.30 -2.10 1 147 ASP 4.40 -1.90 1 148 ASP 0.40 0.50 1 149 VAL 3.30 -1.50 1 152 ALA -7.90 5.80 1 153 VAL -4.90 3.70 1 154 VAL -5.20 0.10 1 155 ASN -4.70 2.90 1 156 VAL 2.60 -3.00 1 157 ARG -5.20 1.50 1 158 ALA 3.20 -1.40 1 159 LYS 1.70 -1.50 1 161 ASP -1.50 1.90 1 162 LYS -4.90 3.30 1 163 ILE -3.30 2.30 1 165 ILE -1.40 1.10 1 166 TRP -0.10 -1.20 1 167 THR -0.50 -0.90 1 168 THR 1.00 0.40 1 169 GLU -4.20 1.70 1 171 GLU 1.30 -2.20 1 172 ASN 1.10 -3.60 1 173 ARG 4.90 -1.50 1 174 GLU 4.90 -2.00 1 175 ALA 1.00 0.20 1 176 VAL 6.80 -1.70 1 177 THR 5.90 -1.60 1 179 ILE 4.00 -1.00 1 181 ARG 5.10 -1.70 1 182 VAL 5.10 -1.80 1 183 TYR 1.20 -1.00 1 184 LYS 5.00 -1.50 1 185 GLU 3.00 -1.20 1 186 ARG 3.50 -3.10 1 187 LEU 2.20 -1.70 1 189 LEU 1.40 -2.10 1 192 LYS 2.50 -2.00 1 193 ILE 1.80 -3.40 1 194 VAL -1.40 -0.30 1 195 ILE -1.80 0.40 1 197 TYR -3.50 -0.10 1 198 GLN -4.70 1.30 1 199 SER -2.20 0.40 1 200 HIS 2.40 -0.20 1 201 ALA 3.60 -2.00 1 202 ASP 3.50 -1.80 1 203 THR 4.60 -2.00 1 204 ALA 1.50 -1.10 1 205 THR 0.20 -0.50 1 206 LYS 1.80 -2.00 1 209 SER 0.30 -0.20 1 210 THR 0.00 -0.50 1 211 THR 1.10 -1.00 1 212 LYS 0.40 -1.10 1 213 ASN -0.10 -0.70 1 214 ARG 0.90 -0.70 1 215 PHE -5.50 2.70 1 216 VAL -4.80 2.50 1 217 VAL -0.20 0.80 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5712_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.70 _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 0.53 _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 7.40 _LACS_plot.Line_2_terminator_val_y_2 2.30 _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 164 ALA -8.70 0.40 0 134 LEU 5.60 -2.50 0 16 THR 0.00 0.00 1 17 THR 0.00 -0.20 1 19 GLU 0.20 -0.10 1 20 GLU 0.30 -0.10 1 21 LYS 0.80 0.10 1 22 THR 0.00 0.00 1 23 GLU 0.10 -0.10 1 24 SER -0.10 -0.30 1 25 ASN 0.60 -0.10 1 26 GLN 0.40 -0.20 1 27 GLU 0.10 -0.20 1 28 VAL 0.40 -0.60 1 29 ALA -0.10 -0.80 1 32 GLU 0.80 -0.20 1 33 HIS -0.60 0.20 1 34 TYR 0.60 -1.00 1 35 ILE -0.00 -1.20 1 36 LYS -1.00 -0.50 1 39 LEU -2.10 -0.10 1 40 GLN 3.80 -0.50 1 41 ASN -4.90 -4.20 1 42 ARG -1.50 -1.50 1 43 TRP -5.00 -2.90 1 44 ALA -5.60 -2.90 1 45 LEU -3.40 -3.10 1 46 TRP -3.60 -1.50 1 47 PHE -6.90 -3.30 1 48 PHE -5.10 -3.20 1 49 LYS -2.10 -2.20 1 50 ASN 2.10 -0.80 1 51 ASP 0.00 0.90 1 52 LYS 3.30 0.30 1 53 SER 0.80 -0.90 1 54 LYS -3.30 -0.50 1 55 THR -0.60 -0.40 1 56 TRP 7.40 2.00 1 57 GLN 5.70 2.10 1 58 ALA 1.40 0.10 1 59 ASN -1.10 -0.60 1 60 LEU -1.20 -0.30 1 61 ARG -3.90 -2.20 1 62 LEU 2.50 -0.80 1 63 ILE 3.20 -0.40 1 64 SER -1.70 -2.50 1 65 LYS -4.00 -0.50 1 66 PHE -3.00 -1.30 1 67 ASP -0.40 1.00 1 68 THR -5.50 -0.60 1 69 VAL 4.90 0.60 1 70 GLU 7.00 3.40 1 71 ASP 2.40 2.10 1 72 PHE 6.60 -0.10 1 73 TRP 2.40 1.60 1 74 ALA 3.50 2.00 1 75 LEU 3.60 -0.20 1 76 TYR 4.50 1.20 1 77 ASN 2.30 0.90 1 78 HIS 0.50 0.20 1 79 ILE -1.60 -0.30 1 80 GLN 0.80 2.20 1 81 LEU 1.50 0.70 1 84 ASN -1.80 0.20 1 85 LEU 0.50 -1.00 1 90 ASP -6.10 1.40 1 91 TYR -5.10 0.00 1 92 SER -2.90 -1.60 1 93 LEU -2.20 -2.70 1 94 PHE -7.70 0.30 1 95 LYS 1.90 -0.10 1 96 ASP 1.50 0.50 1 98 ILE -0.10 -0.50 1 101 MET -5.70 0.50 1 103 GLU 3.80 1.10 1 104 ASP -3.90 1.70 1 105 GLU 3.50 1.70 1 106 LYS 2.60 0.40 1 107 ASN -1.20 2.60 1 108 LYS 5.50 2.40 1 109 ARG 2.00 0.40 1 112 ARG -6.50 -2.20 1 113 TRP -2.30 -0.90 1 114 LEU -4.30 -2.90 1 115 ILE -1.60 -1.60 1 116 THR -0.80 -0.50 1 117 LEU -1.40 -1.10 1 118 ASN -1.20 2.90 1 119 LYS 5.00 2.50 1 120 GLN 4.50 1.70 1 121 GLN -0.50 1.10 1 123 ARG 3.50 0.60 1 124 SER 1.20 1.80 1 125 ASP -0.30 -0.70 1 126 LEU 5.50 -0.40 1 127 ASP 4.60 3.20 1 128 ARG 5.20 2.90 1 129 PHE 1.80 4.50 1 130 TRP 1.50 0.70 1 131 LEU 6.10 0.90 1 132 GLU 3.40 3.30 1 135 LEU 5.30 3.70 1 137 LEU 6.00 1.60 1 138 ILE 5.50 1.90 1 140 GLU 4.40 1.40 1 141 SER 3.40 -1.20 1 142 PHE 1.30 -1.30 1 143 ASP 3.50 1.50 1 144 ASP 4.50 0.20 1 145 TYR 1.30 0.60 1 147 ASP 4.40 0.30 1 148 ASP 0.40 0.50 1 149 VAL 3.30 -0.40 1 152 ALA -7.90 -2.30 1 153 VAL -4.90 -0.90 1 154 VAL -5.20 -3.80 1 155 ASN -4.70 -1.50 1 156 VAL 2.60 2.20 1 157 ARG -5.20 -0.50 1 158 ALA 3.20 1.70 1 159 LYS 1.70 -0.50 1 161 ASP -1.50 -1.30 1 162 LYS -4.90 -1.40 1 163 ILE -3.30 -2.90 1 165 ILE -1.40 -1.00 1 166 TRP -0.10 0.50 1 167 THR -0.50 2.80 1 168 THR 1.00 -2.10 1 169 GLU -4.20 0.50 1 171 GLU 1.30 0.60 1 172 ASN 1.10 -1.10 1 173 ARG 4.90 1.90 1 174 GLU 4.90 1.30 1 175 ALA 1.00 1.10 1 176 VAL 6.80 3.80 1 177 THR 5.90 1.00 1 178 HIS 3.60 2.50 1 179 ILE 4.00 0.30 1 181 ARG 5.10 3.10 1 182 VAL 5.10 1.60 1 183 TYR 1.20 0.70 1 184 LYS 5.00 2.30 1 185 GLU 3.00 3.70 1 186 ARG 3.50 2.60 1 187 LEU 2.20 -1.80 1 192 LYS 2.50 0.20 1 193 ILE 1.80 -1.90 1 194 VAL -1.40 0.60 1 195 ILE -1.80 -1.80 1 197 TYR -3.50 -0.60 1 198 GLN -4.70 -0.50 1 199 SER -2.20 1.10 1 200 HIS 2.40 3.90 1 201 ALA 3.60 1.80 1 202 ASP 3.50 1.60 1 203 THR 4.60 0.90 1 204 ALA 1.50 0.60 1 205 THR 0.20 -0.20 1 209 SER 0.30 0.10 1 210 THR 0.00 -0.40 1 211 THR 1.10 -0.90 1 212 LYS 0.40 -0.80 1 213 ASN -0.10 0.60 1 214 ARG 0.90 -0.70 1 215 PHE -5.50 -2.00 1 216 VAL -4.80 -0.90 1 stop_ save_