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 bmr4553_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.43 _LACS_plot.Line_1_terminator_val_y_1 -3.91 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.64 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.67 _LACS_plot.Line_2_terminator_val_x_2 8.40 _LACS_plot.Line_2_terminator_val_y_2 6.25 _LACS_plot.Y_axis_chem_shift_offset 0.15 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 164 LYS -1.60 -4.40 0 10 VAL -4.10 -2.70 1 11 PHE -3.80 -1.00 1 12 LEU -5.10 -2.20 1 13 PHE -6.00 -2.80 1 14 ASP -4.20 -0.90 1 16 SER -2.30 0.30 1 17 MET 1.60 1.60 1 18 SER 2.60 0.40 1 19 LEU -0.90 0.30 1 20 GLN 0.90 -0.20 1 22 ASP 3.10 1.90 1 23 GLU 3.10 1.80 1 24 PHE 4.50 4.00 1 25 GLN 3.90 2.50 1 26 LYS 4.40 3.60 1 27 ILE 7.20 5.40 1 28 LEU 4.80 3.00 1 29 ASP 4.10 3.00 1 30 PHE 3.10 2.40 1 31 MET 3.70 3.80 1 32 LYS 4.80 4.30 1 33 ASP 3.20 3.20 1 34 VAL 6.30 4.40 1 35 MET 2.80 4.40 1 36 LYS 4.70 3.70 1 37 LYS 2.50 2.10 1 38 LEU -0.00 -1.70 1 39 SER 2.30 2.10 1 40 ASN 1.20 0.20 1 41 THR -1.30 0.10 1 42 SER 1.20 0.40 1 43 TYR -0.50 -0.10 1 44 GLN -3.90 -0.90 1 45 PHE -6.40 -0.90 1 46 ALA -4.40 -2.00 1 47 ALA -6.50 -1.70 1 48 VAL -5.80 -2.50 1 49 GLN -3.30 -2.40 1 50 PHE -9.43 -3.53 1 51 SER 1.50 0.00 1 52 THR 4.60 3.20 1 53 SER -3.60 -3.90 1 54 TYR -4.20 -4.20 1 55 LYS -6.20 -1.40 1 56 THR 3.70 1.70 1 57 GLU 1.50 0.40 1 58 PHE -0.10 0.40 1 59 ASP -4.10 -1.60 1 60 PHE 4.40 2.90 1 61 SER 4.20 2.80 1 62 ASP 2.70 3.30 1 63 TYR 4.80 3.70 1 64 VAL 3.00 2.70 1 65 LYS -1.10 0.50 1 66 TRP 4.10 2.10 1 67 LYS -2.90 -1.50 1 68 ASP 3.70 2.80 1 70 ASP 2.60 1.60 1 71 ALA 2.40 1.60 1 72 LEU -0.90 -1.60 1 73 LEU 3.00 2.50 1 74 LYS -0.90 0.20 1 75 HIS 2.60 1.70 1 76 VAL -3.30 -2.20 1 77 LYS -3.40 -0.40 1 78 HIS 4.60 5.20 1 79 MET 3.70 0.50 1 80 LEU -1.00 -0.40 1 81 LEU 2.50 -0.50 1 82 LEU -2.10 -2.10 1 83 THR 2.10 -0.40 1 84 ASN 5.80 4.40 1 85 THR 8.40 6.60 1 86 PHE 0.10 1.60 1 88 ALA 6.00 4.80 1 89 ILE 4.50 4.60 1 90 ASN 4.50 3.40 1 91 TYR 5.80 4.00 1 92 VAL 3.40 2.70 1 93 ALA 0.90 1.20 1 94 THR -0.50 -0.90 1 95 GLU 2.80 1.80 1 96 VAL 3.20 0.70 1 97 PHE -4.40 -2.10 1 98 ARG 3.10 2.70 1 99 GLU 4.30 2.70 1 100 GLU -0.10 -0.90 1 101 LEU 0.40 -0.20 1 103 ALA -0.50 -0.50 1 104 ARG -0.40 -1.40 1 106 ASP -2.30 -1.10 1 107 ALA 2.60 2.10 1 108 THR -0.90 -0.20 1 109 LYS -4.20 -1.60 1 110 VAL -7.70 -2.40 1 111 LEU -1.00 -1.30 1 112 ILE -1.10 -0.90 1 113 ILE -2.50 -0.50 1 114 ILE -3.70 -2.30 1 115 THR -5.40 -2.60 1 116 ASP -1.40 -0.40 1 118 GLU -1.40 0.00 1 119 ALA -0.80 -0.80 1 120 THR -2.10 -2.50 1 121 ASP -2.30 -1.60 1 122 SER -3.80 -0.80 1 124 ASN -0.30 -1.00 1 125 ILE 5.30 3.80 1 126 ASP 2.40 1.30 1 127 ALA -3.00 -2.40 1 128 ALA 4.20 3.30 1 129 LYS 0.80 -0.20 1 130 ASP -1.60 -0.70 1 131 ILE 2.20 0.80 1 132 ILE -1.50 -0.80 1 133 ARG -4.40 -1.20 1 134 TYR -4.50 -2.60 1 135 ILE -2.60 -2.10 1 136 ILE -4.20 -1.50 1 138 ILE 3.40 2.30 1 140 LYS 3.50 3.10 1 141 HIS 0.10 -0.70 1 142 PHE 2.30 2.40 1 143 GLN -3.40 -2.10 1 144 THR 4.30 3.10 1 145 LYS 5.30 3.80 1 146 GLU 4.30 3.40 1 147 SER -0.10 1.10 1 148 GLN 3.00 1.60 1 149 GLU 4.20 3.40 1 150 THR 1.50 0.20 1 151 LEU 1.80 3.30 1 152 HIS 3.20 1.20 1 153 LYS -1.10 -1.00 1 154 PHE -4.40 -1.00 1 155 ALA 5.50 3.20 1 156 SER -1.50 -1.10 1 157 LYS 4.90 2.80 1 159 ALA 4.10 2.20 1 160 SER -1.20 -0.30 1 161 GLU 0.80 1.90 1 162 PHE -0.70 -1.30 1 163 VAL -4.30 -3.40 1 165 ILE -5.10 -2.90 1 166 LEU 2.90 1.40 1 167 ASP -5.00 -3.70 1 168 THR 4.20 3.70 1 169 PHE 3.40 2.50 1 170 GLU 0.50 0.70 1 171 LYS 3.70 2.60 1 172 LEU 3.20 2.20 1 173 LYS -0.10 0.40 1 174 ASP 1.00 1.30 1 175 LEU 6.30 5.20 1 176 PHE 5.70 4.30 1 177 THR 2.00 1.80 1 178 GLU 2.70 2.30 1 179 LEU 4.70 3.00 1 180 GLN 3.00 2.70 1 181 LYS 1.50 0.30 1 182 LYS 2.60 1.50 1 183 ILE 1.20 0.50 1 184 TYR 1.40 0.60 1 185 VAL 1.00 0.60 1 186 ILE -0.50 0.20 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4553_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.43 _LACS_plot.Line_1_terminator_val_y_1 5.52 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.36 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.33 _LACS_plot.Line_2_terminator_val_x_2 8.40 _LACS_plot.Line_2_terminator_val_y_2 -2.15 _LACS_plot.Y_axis_chem_shift_offset 0.15 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 164 LYS -1.60 -2.80 0 10 VAL -4.10 1.40 1 11 PHE -3.80 2.80 1 12 LEU -5.10 2.90 1 13 PHE -6.00 3.20 1 14 ASP -4.20 3.30 1 16 SER -2.30 2.60 1 17 MET 1.60 0.00 1 18 SER 2.60 -2.20 1 19 LEU -0.90 1.20 1 20 GLN 0.90 -1.10 1 22 ASP 3.10 -1.20 1 23 GLU 3.10 -1.30 1 24 PHE 4.50 -0.50 1 25 GLN 3.90 -1.40 1 26 LYS 4.40 -0.80 1 27 ILE 7.20 -1.80 1 28 LEU 4.80 -1.80 1 29 ASP 4.10 -1.10 1 30 PHE 3.10 -0.70 1 31 MET 3.70 0.10 1 32 LYS 4.80 -0.50 1 33 ASP 3.20 0.00 1 34 VAL 6.30 -1.90 1 35 MET 2.80 1.60 1 36 LYS 4.70 -1.00 1 37 LYS 2.50 -0.40 1 38 LEU -0.00 -1.70 1 39 SER 2.30 -0.20 1 40 ASN 1.20 -1.00 1 41 THR -1.30 1.40 1 42 SER 1.20 -0.80 1 43 TYR -0.50 0.40 1 44 GLN -3.90 3.00 1 45 PHE -6.40 5.50 1 46 ALA -4.40 2.40 1 47 ALA -6.50 4.80 1 48 VAL -5.80 3.30 1 49 GLN -3.30 0.90 1 50 PHE -9.43 5.90 1 51 SER 1.50 -1.50 1 52 THR 4.60 -1.40 1 53 SER -3.60 -0.30 1 54 TYR -4.20 0.00 1 55 LYS -6.20 4.80 1 56 THR 3.70 -2.00 1 57 GLU 1.50 -1.10 1 58 PHE -0.10 0.50 1 59 ASP -4.10 2.50 1 60 PHE 4.40 -1.50 1 61 SER 4.20 -1.40 1 62 ASP 2.70 0.60 1 63 TYR 4.80 -1.10 1 64 VAL 3.00 -0.30 1 65 LYS -1.10 1.60 1 66 TRP 4.10 -2.00 1 67 LYS -2.90 1.40 1 68 ASP 3.70 -0.90 1 70 ASP 2.60 -1.00 1 71 ALA 2.40 -0.80 1 72 LEU -0.90 -0.70 1 73 LEU 3.00 -0.50 1 74 LYS -0.90 1.10 1 75 HIS 2.60 -0.90 1 76 VAL -3.30 1.10 1 77 LYS -3.40 3.00 1 78 HIS 4.60 0.60 1 79 MET 3.70 -3.20 1 80 LEU -1.00 0.60 1 81 LEU 2.50 -3.00 1 82 LEU -2.10 0.00 1 83 THR 2.10 -2.50 1 84 ASN 5.80 -1.40 1 85 THR 8.40 -1.80 1 86 PHE 0.10 1.50 1 88 ALA 6.00 -1.20 1 89 ILE 4.50 0.10 1 90 ASN 4.50 -1.10 1 91 TYR 5.80 -1.80 1 92 VAL 3.40 -0.70 1 93 ALA 0.90 0.30 1 94 THR -0.50 -0.40 1 95 GLU 2.80 -1.00 1 96 VAL 3.20 -2.50 1 97 PHE -4.40 2.30 1 98 ARG 3.10 -0.40 1 99 GLU 4.30 -1.60 1 100 GLU -0.10 -0.80 1 101 LEU 0.40 -0.60 1 103 ALA -0.50 0.00 1 104 ARG -0.40 -1.00 1 106 ASP -2.30 1.20 1 107 ALA 2.60 -0.50 1 108 THR -0.90 0.70 1 109 LYS -4.20 2.60 1 110 VAL -7.70 5.30 1 111 LEU -1.00 -0.30 1 112 ILE -1.10 0.20 1 113 ILE -2.50 2.00 1 114 ILE -3.70 1.40 1 115 THR -5.40 2.80 1 116 ASP -1.40 1.00 1 118 GLU -1.40 1.40 1 119 ALA -0.80 0.00 1 120 THR -2.10 -0.40 1 121 ASP -2.30 0.70 1 122 SER -3.80 3.00 1 124 ASN -0.30 -0.70 1 125 ILE 5.30 -1.50 1 126 ASP 2.40 -1.10 1 127 ALA -3.00 0.60 1 128 ALA 4.20 -0.90 1 129 LYS 0.80 -1.00 1 130 ASP -1.60 0.90 1 131 ILE 2.20 -1.40 1 132 ILE -1.50 0.70 1 133 ARG -4.40 3.20 1 134 TYR -4.50 1.90 1 135 ILE -2.60 0.50 1 136 ILE -4.20 2.70 1 138 ILE 3.40 -1.10 1 140 LYS 3.50 -0.40 1 141 HIS 0.10 -0.80 1 142 PHE 2.30 0.10 1 143 GLN -3.40 1.30 1 144 THR 4.30 -1.20 1 145 LYS 5.30 -1.50 1 146 GLU 4.30 -0.90 1 147 SER -0.10 1.20 1 148 GLN 3.00 -1.40 1 149 GLU 4.20 -0.80 1 150 THR 1.50 -1.30 1 151 LEU 1.80 1.50 1 152 HIS 3.20 -2.00 1 153 LYS -1.10 0.10 1 154 PHE -4.40 3.40 1 155 ALA 5.50 -2.30 1 156 SER -1.50 0.40 1 157 LYS 4.90 -2.10 1 159 ALA 4.10 -1.90 1 160 SER -1.20 0.90 1 161 GLU 0.80 1.10 1 162 PHE -0.70 -0.60 1 163 VAL -4.30 0.90 1 165 ILE -5.10 2.20 1 166 LEU 2.90 -1.50 1 167 ASP -5.00 1.30 1 168 THR 4.20 -0.50 1 169 PHE 3.40 -0.90 1 170 GLU 0.50 0.20 1 171 LYS 3.70 -1.10 1 172 LEU 3.20 -1.00 1 173 LYS -0.10 0.50 1 174 ASP 1.00 0.30 1 175 LEU 6.30 -1.10 1 176 PHE 5.70 -1.40 1 177 THR 2.00 -0.20 1 178 GLU 2.70 -0.40 1 179 LEU 4.70 -1.70 1 180 GLN 3.00 -0.30 1 181 LYS 1.50 -1.20 1 182 LYS 2.60 -1.10 1 183 ILE 1.20 -0.70 1 184 TYR 1.40 -0.80 1 185 VAL 1.00 -0.40 1 186 ILE -0.50 0.70 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4553_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -9.43 _LACS_plot.Line_1_terminator_val_y_1 1.22 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.21 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.29 _LACS_plot.Line_2_terminator_val_x_2 8.40 _LACS_plot.Line_2_terminator_val_y_2 -1.00 _LACS_plot.Y_axis_chem_shift_offset -0.04 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 14 ASP -4.20 -1.35 0 10 VAL -4.10 0.51 1 11 PHE -3.80 0.72 1 12 LEU -5.10 1.42 1 13 PHE -6.00 1.22 1 16 SER -2.30 -0.28 1 17 MET 1.60 -0.69 1 18 SER 2.60 -0.35 1 19 LEU -0.90 -0.01 1 20 GLN 0.90 -0.14 1 22 ASP 3.10 -0.31 1 23 GLU 3.10 -1.12 1 24 PHE 4.50 -0.70 1 25 GLN 3.90 -0.71 1 26 LYS 4.40 -0.28 1 27 ILE 7.20 -0.68 1 28 LEU 4.80 -0.90 1 29 ASP 4.10 -0.60 1 30 PHE 3.10 -0.22 1 31 MET 3.70 -1.85 1 32 LYS 4.80 -0.92 1 33 ASP 3.20 -0.52 1 34 VAL 6.30 -1.16 1 35 MET 2.80 -1.38 1 36 LYS 4.70 -0.44 1 37 LYS 2.50 -0.33 1 38 LEU -0.00 0.23 1 39 SER 2.30 -0.14 1 40 ASN 1.20 0.22 1 41 THR -1.30 0.42 1 42 SER 1.20 0.27 1 43 TYR -0.50 0.53 1 44 GLN -3.90 0.14 1 45 PHE -6.40 1.61 1 46 ALA -4.40 -0.43 1 47 ALA -6.50 1.32 1 48 VAL -5.80 0.82 1 49 GLN -3.30 -0.42 1 50 PHE -9.43 0.99 1 51 SER 1.50 0.04 1 52 THR 4.60 0.02 1 53 SER -3.60 -1.06 1 54 TYR -4.20 0.60 1 55 LYS -6.20 0.20 1 56 THR 3.70 0.00 1 57 GLU 1.50 0.61 1 58 PHE -0.10 0.29 1 59 ASP -4.10 0.20 1 60 PHE 4.40 0.37 1 61 SER 4.20 -0.17 1 62 ASP 2.70 -0.05 1 63 TYR 4.80 -0.70 1 64 VAL 3.00 -0.48 1 65 LYS -1.10 0.04 1 66 TRP 4.10 -1.09 1 67 LYS -2.90 0.05 1 68 ASP 3.70 -0.61 1 70 ASP 2.60 -0.51 1 71 ALA 2.40 -0.58 1 72 LEU -0.90 0.31 1 73 LEU 3.00 -0.46 1 74 LYS -0.90 0.01 1 75 HIS 2.60 -0.42 1 76 VAL -3.30 0.35 1 77 LYS -3.40 -0.57 1 78 HIS 4.60 -0.80 1 79 MET 3.70 -1.46 1 80 LEU -1.00 0.50 1 81 LEU 2.50 0.17 1 82 LEU -2.10 -0.01 1 83 THR 2.10 0.51 1 84 ASN 5.80 -1.38 1 85 THR 8.40 -0.99 1 86 PHE 0.10 -1.50 1 88 ALA 6.00 -1.03 1 89 ILE 4.50 -0.55 1 90 ASN 4.50 -0.61 1 91 TYR 5.80 -0.82 1 92 VAL 3.40 -0.22 1 93 ALA 0.90 0.00 1 94 THR -0.50 0.09 1 95 GLU 2.80 -0.01 1 96 VAL 3.20 -0.03 1 97 PHE -4.40 0.34 1 98 ARG 3.10 0.09 1 99 GLU 4.30 -0.17 1 100 GLU -0.10 0.32 1 101 LEU 0.40 -0.94 1 103 ALA -0.50 -0.05 1 104 ARG -0.40 -0.13 1 106 ASP -2.30 -0.13 1 107 ALA 2.60 -0.36 1 108 THR -0.90 0.41 1 109 LYS -4.20 0.81 1 110 VAL -7.70 1.03 1 111 LEU -1.00 0.98 1 112 ILE -1.10 1.28 1 113 ILE -2.50 0.97 1 114 ILE -3.70 1.29 1 115 THR -5.40 1.16 1 116 ASP -1.40 -0.05 1 118 GLU -1.40 0.89 1 119 ALA -0.80 0.16 1 120 THR -2.10 0.26 1 121 ASP -2.30 -0.61 1 122 SER -3.80 0.26 1 124 ASN -0.30 0.77 1 125 ILE 5.30 -0.42 1 126 ASP 2.40 -0.20 1 127 ALA -3.00 0.10 1 128 ALA 4.20 -0.37 1 129 LYS 0.80 -0.02 1 130 ASP -1.60 -0.43 1 131 ILE 2.20 -0.47 1 132 ILE -1.50 0.86 1 133 ARG -4.40 0.98 1 134 TYR -4.50 1.02 1 135 ILE -2.60 0.72 1 136 ILE -4.20 0.77 1 138 ILE 3.40 -0.30 1 140 LYS 3.50 -0.40 1 141 HIS 0.10 0.94 1 142 PHE 2.30 -0.22 1 143 GLN -3.40 0.18 1 144 THR 4.30 -0.54 1 145 LYS 5.30 -0.39 1 146 GLU 4.30 -0.17 1 147 SER -0.10 -0.16 1 148 GLN 3.00 -1.47 1 149 GLU 4.20 -0.24 1 150 THR 1.50 0.03 1 151 LEU 1.80 -0.67 1 152 HIS 3.20 -0.25 1 153 LYS -1.10 -0.13 1 154 PHE -4.40 -0.18 1 155 ALA 5.50 -0.46 1 156 SER -1.50 -0.07 1 157 LYS 4.90 -0.26 1 159 ALA 4.10 -0.47 1 160 SER -1.20 -0.11 1 161 GLU 0.80 -0.08 1 162 PHE -0.70 0.59 1 163 VAL -4.30 0.27 1 164 LYS -1.60 0.79 1 165 ILE -5.10 0.44 1 166 LEU 2.90 -0.27 1 167 ASP -5.00 0.42 1 168 THR 4.20 -0.82 1 169 PHE 3.40 -0.29 1 170 GLU 0.50 -0.08 1 171 LYS 3.70 -0.69 1 172 LEU 3.20 -0.05 1 173 LYS -0.10 0.29 1 174 ASP 1.00 0.02 1 175 LEU 6.30 -0.60 1 176 PHE 5.70 -0.62 1 177 THR 2.00 -0.25 1 178 GLU 2.70 -0.55 1 179 LEU 4.70 -0.87 1 180 GLN 3.00 -0.37 1 181 LYS 1.50 -0.15 1 182 LYS 2.60 -0.24 1 183 ILE 1.20 0.01 1 184 TYR 1.40 -0.10 1 185 VAL 1.00 -0.09 1 186 ILE -0.50 -0.18 1 stop_ save_