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 bmr17998_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.50 _LACS_plot.Line_1_terminator_val_y_1 -2.04 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.59 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.44 _LACS_plot.Line_2_terminator_val_x_2 7.60 _LACS_plot.Line_2_terminator_val_y_2 5.88 _LACS_plot.Y_axis_chem_shift_offset -0.06 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 89 TRP 7.60 5.80 0 10 GLN -0.20 0.00 1 11 THR -0.10 -0.10 1 12 HIS -0.20 0.90 1 13 ASP 0.40 0.40 1 14 GLN 0.40 0.40 1 15 GLU 0.10 0.30 1 16 SER 0.10 0.20 1 17 GLU -0.60 -0.10 1 18 ILE 0.30 0.00 1 19 VAL 0.20 0.00 1 20 THR -0.20 -0.10 1 21 GLU -0.00 0.30 1 23 SER -0.10 0.00 1 24 ALA -0.20 -0.10 1 25 VAL 0.30 0.10 1 26 VAL 0.00 -0.10 1 27 HIS -0.90 0.80 1 28 SER -0.50 -0.30 1 29 GLU -0.80 0.20 1 31 SER 0.20 0.20 1 32 GLN -0.00 0.10 1 33 GLU 0.30 0.60 1 35 ASN 1.40 1.60 1 36 VAL -1.20 -1.20 1 39 LYS -0.20 -0.50 1 40 VAL -2.90 -1.20 1 41 ASP -0.90 -0.50 1 42 SER -1.90 -1.30 1 43 GLU 0.10 0.30 1 44 ALA -0.60 -1.10 1 45 GLU -3.30 -1.60 1 46 VAL 3.40 2.10 1 47 LEU -1.50 -0.50 1 48 ASP -6.10 -1.20 1 49 GLU 3.40 3.50 1 50 LYS -2.30 -2.40 1 51 VAL -4.10 -0.60 1 52 SER -4.30 -1.50 1 53 LYS -5.50 -1.20 1 54 GLN -6.50 -1.40 1 55 ILE 4.10 3.90 1 56 ILE 0.80 2.10 1 57 LYS -4.40 -1.10 1 58 GLU -0.20 0.60 1 60 HIS -4.10 -0.40 1 62 SER -1.80 -0.60 1 63 LYS 2.00 1.00 1 65 SER -2.50 -1.50 1 68 SER 1.60 2.20 1 69 THR 1.90 1.30 1 71 PHE -2.10 -1.80 1 72 LEU -3.80 -0.90 1 73 HIS -6.60 -0.80 1 74 TYR -2.80 -0.30 1 75 ARG -6.30 -1.90 1 76 ALA -7.50 -1.80 1 77 TRP -5.80 -1.30 1 78 THR 0.40 -0.80 1 79 LYS 3.60 3.90 1 80 ASN 3.80 2.60 1 81 SER -0.10 -0.20 1 82 GLN 4.10 1.50 1 83 HIS -1.30 0.70 1 84 LYS 1.40 -0.20 1 85 PHE -2.20 -1.60 1 86 GLU -5.30 -0.60 1 87 ASP -0.50 -0.10 1 88 THR 6.70 3.40 1 90 HIS 3.10 3.60 1 91 GLU -0.60 -0.50 1 92 GLN 3.80 1.40 1 93 GLN -2.90 -1.00 1 95 ILE -3.30 -1.80 1 96 GLU -4.20 -2.40 1 97 LEU -4.80 -0.80 1 98 VAL 1.00 -0.90 1 99 LEU 2.80 1.40 1 101 LYS -2.00 -1.70 1 102 GLU 0.30 -0.40 1 103 LYS 0.10 0.10 1 104 LYS 4.30 3.50 1 105 GLU 4.60 1.70 1 106 LEU -1.10 -2.10 1 107 ALA 4.10 3.50 1 109 LEU 5.40 2.90 1 110 ALA 3.90 2.90 1 111 ILE 5.40 4.50 1 113 VAL 5.20 3.90 1 114 ALA 2.30 1.40 1 115 SER -2.20 0.10 1 116 MET -1.20 0.90 1 117 LYS -4.10 -1.60 1 118 SER 4.00 3.00 1 120 GLU -4.20 -0.70 1 121 ARG -6.30 -2.60 1 122 ALA -5.60 -1.00 1 123 LEU -3.50 -2.00 1 124 VAL -1.90 -0.80 1 125 HIS -2.20 0.50 1 126 VAL -4.50 -0.70 1 128 TRP 2.30 1.90 1 129 GLU 4.40 3.80 1 130 LEU -1.90 -2.10 1 131 ALA -1.80 -1.20 1 132 TYR 4.90 2.60 1 134 LYS 3.30 2.80 1 135 GLU 0.60 0.70 1 137 ASN -4.50 -0.10 1 138 PHE 3.10 2.80 1 139 SER -2.20 -1.60 1 140 PHE 2.90 1.90 1 142 ASN -0.30 -0.20 1 143 VAL -4.60 -0.90 1 146 MET 3.80 1.30 1 147 ALA -2.30 -1.40 1 148 ASP 1.90 1.50 1 149 LEU -6.10 -0.90 1 150 LEU -5.80 -1.30 1 151 TYR -5.00 -1.80 1 152 GLU -3.60 -1.00 1 153 VAL -5.80 -2.80 1 154 GLU -7.40 -2.00 1 155 VAL 1.20 0.50 1 156 ILE 2.00 1.60 1 158 PHE -4.80 -1.80 1 159 ASP -3.00 -0.90 1 160 GLU -1.40 -0.40 1 161 THR 0.70 0.70 1 162 LYS 1.00 0.80 1 163 GLU 0.50 0.50 1 165 LYS 0.00 0.00 1 166 ALA 0.10 0.10 1 167 ARG 0.60 0.50 1 168 SER 0.60 0.50 1 169 ASP 0.20 0.00 1 170 MET 0.20 0.30 1 171 THR 0.30 0.40 1 172 VAL 0.80 0.60 1 173 GLU 0.20 0.40 1 174 GLU -0.40 0.10 1 175 ARG 0.40 0.20 1 176 ILE 0.70 0.40 1 178 ALA -0.60 -0.20 1 179 ALA -0.70 -0.30 1 180 ASP 0.60 1.60 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17998_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.50 _LACS_plot.Line_1_terminator_val_y_1 5.46 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -1.40 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.56 _LACS_plot.Line_2_terminator_val_x_2 7.60 _LACS_plot.Line_2_terminator_val_y_2 -1.72 _LACS_plot.Y_axis_chem_shift_offset -0.06 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 89 TRP 7.60 -1.80 0 10 GLN -0.20 0.20 1 11 THR -0.10 0.00 1 12 HIS -0.20 1.10 1 13 ASP 0.40 0.00 1 14 GLN 0.40 0.00 1 15 GLU 0.10 0.20 1 16 SER 0.10 0.10 1 17 GLU -0.60 0.50 1 18 ILE 0.30 -0.30 1 19 VAL 0.20 -0.20 1 20 THR -0.20 0.10 1 21 GLU -0.00 0.30 1 23 SER -0.10 0.10 1 24 ALA -0.20 0.10 1 25 VAL 0.30 -0.20 1 26 VAL 0.00 -0.10 1 27 HIS -0.90 1.70 1 28 SER -0.50 0.20 1 29 GLU -0.80 1.00 1 31 SER 0.20 0.00 1 32 GLN -0.00 0.10 1 33 GLU 0.30 0.30 1 35 ASN 1.40 0.20 1 36 VAL -1.20 0.00 1 39 LYS -0.20 -0.30 1 40 VAL -2.90 1.70 1 41 ASP -0.90 0.40 1 42 SER -1.90 0.60 1 43 GLU 0.10 0.20 1 44 ALA -0.60 -0.50 1 45 GLU -3.30 1.70 1 46 VAL 3.40 -1.30 1 47 LEU -1.50 1.00 1 48 ASP -6.10 4.90 1 49 GLU 3.40 0.10 1 50 LYS -2.30 -0.10 1 51 VAL -4.10 3.50 1 52 SER -4.30 2.80 1 53 LYS -5.50 4.30 1 54 GLN -6.50 5.10 1 55 ILE 4.10 -0.20 1 56 ILE 0.80 1.30 1 57 LYS -4.40 3.30 1 58 GLU -0.20 0.80 1 60 HIS -4.10 3.70 1 62 SER -1.80 1.20 1 63 LYS 2.00 -1.00 1 65 SER -2.50 1.00 1 68 SER 1.60 0.60 1 69 THR 1.90 -0.60 1 71 PHE -2.10 0.30 1 72 LEU -3.80 2.90 1 73 HIS -6.60 5.80 1 74 TYR -2.80 2.50 1 75 ARG -6.30 4.40 1 76 ALA -7.50 5.70 1 77 TRP -5.80 4.50 1 78 THR 0.40 -1.20 1 79 LYS 3.60 0.30 1 80 ASN 3.80 -1.20 1 81 SER -0.10 -0.10 1 82 GLN 4.10 -2.60 1 83 HIS -1.30 2.00 1 84 LYS 1.40 -1.60 1 85 PHE -2.20 0.60 1 86 GLU -5.30 4.70 1 87 ASP -0.50 0.40 1 88 THR 6.70 -3.30 1 90 HIS 3.10 0.50 1 91 GLU -0.60 0.10 1 92 GLN 3.80 -2.40 1 93 GLN -2.90 1.90 1 95 ILE -3.30 1.50 1 96 GLU -4.20 1.80 1 97 LEU -4.80 4.00 1 98 VAL 1.00 -1.90 1 99 LEU 2.80 -1.40 1 101 LYS -2.00 0.30 1 102 GLU 0.30 -0.70 1 103 LYS 0.10 0.00 1 104 LYS 4.30 -0.80 1 105 GLU 4.60 -2.90 1 106 LEU -1.10 -1.00 1 107 ALA 4.10 -0.60 1 109 LEU 5.40 -2.50 1 110 ALA 3.90 -1.00 1 111 ILE 5.40 -0.90 1 113 VAL 5.20 -1.30 1 114 ALA 2.30 -0.90 1 115 SER -2.20 2.30 1 116 MET -1.20 2.10 1 117 LYS -4.10 2.50 1 118 SER 4.00 -1.00 1 120 GLU -4.20 3.50 1 121 ARG -6.30 3.70 1 122 ALA -5.60 4.60 1 123 LEU -3.50 1.50 1 124 VAL -1.90 1.10 1 125 HIS -2.20 2.70 1 126 VAL -4.50 3.80 1 128 TRP 2.30 -0.40 1 129 GLU 4.40 -0.60 1 130 LEU -1.90 -0.20 1 131 ALA -1.80 0.60 1 132 TYR 4.90 -2.30 1 134 LYS 3.30 -0.50 1 135 GLU 0.60 0.10 1 137 ASN -4.50 4.40 1 138 PHE 3.10 -0.30 1 139 SER -2.20 0.60 1 140 PHE 2.90 -1.00 1 142 ASN -0.30 0.10 1 143 VAL -4.60 3.70 1 146 MET 3.80 -2.50 1 147 ALA -2.30 0.90 1 148 ASP 1.90 -0.40 1 149 LEU -6.10 5.20 1 150 LEU -5.80 4.50 1 151 TYR -5.00 3.20 1 152 GLU -3.60 2.60 1 153 VAL -5.80 3.00 1 154 GLU -7.40 5.40 1 155 VAL 1.20 -0.70 1 156 ILE 2.00 -0.40 1 158 PHE -4.80 3.00 1 159 ASP -3.00 2.10 1 160 GLU -1.40 1.00 1 161 THR 0.70 0.00 1 162 LYS 1.00 -0.20 1 163 GLU 0.50 0.00 1 165 LYS 0.00 0.00 1 166 ALA 0.10 0.00 1 167 ARG 0.60 -0.10 1 168 SER 0.60 -0.10 1 169 ASP 0.20 -0.20 1 170 MET 0.20 0.10 1 171 THR 0.30 0.10 1 172 VAL 0.80 -0.20 1 173 GLU 0.20 0.20 1 174 GLU -0.40 0.50 1 175 ARG 0.40 -0.20 1 176 ILE 0.70 -0.30 1 178 ALA -0.60 0.40 1 179 ALA -0.70 0.40 1 180 ASP 0.60 1.00 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17998_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.50 _LACS_plot.Line_1_terminator_val_y_1 -2.33 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.32 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.89 _LACS_plot.Line_2_terminator_val_x_2 7.60 _LACS_plot.Line_2_terminator_val_y_2 2.30 _LACS_plot.Y_axis_chem_shift_offset 0.23 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 146 MET 3.80 -3.30 0 180 ASP 0.60 4.60 0 10 GLN -0.20 0.00 1 11 THR -0.10 -0.40 1 12 HIS -0.20 0.70 1 13 ASP 0.40 -0.10 1 14 GLN 0.40 0.20 1 15 GLU 0.10 0.10 1 16 SER 0.10 -0.30 1 17 GLU -0.60 -0.40 1 18 ILE 0.30 -0.20 1 19 VAL 0.20 0.00 1 20 THR -0.20 -0.20 1 21 GLU -0.00 0.30 1 23 SER -0.10 -0.40 1 24 ALA -0.20 -0.30 1 25 VAL 0.30 -0.40 1 26 VAL 0.00 -0.50 1 27 HIS -0.90 0.80 1 28 SER -0.50 -0.80 1 29 GLU -0.80 -0.20 1 31 SER 0.20 0.40 1 32 GLN -0.00 0.10 1 33 GLU 0.30 0.50 1 35 ASN 1.40 0.50 1 36 VAL -1.20 -2.40 1 39 LYS -0.20 -0.70 1 40 VAL -2.90 -1.40 1 41 ASP -0.90 -0.40 1 42 SER -1.90 -0.20 1 43 GLU 0.10 -0.40 1 44 ALA -0.60 -1.20 1 45 GLU -3.30 -0.60 1 46 VAL 3.40 -0.20 1 47 LEU -1.50 -1.90 1 48 ASP -6.10 -2.40 1 49 GLU 3.40 0.80 1 50 LYS -2.30 -0.40 1 51 VAL -4.10 -1.70 1 52 SER -4.30 -1.90 1 53 LYS -5.50 -1.40 1 54 GLN -6.50 -0.80 1 55 ILE 4.10 -0.40 1 56 ILE 0.80 -1.00 1 57 LYS -4.40 -2.20 1 58 GLU -0.20 1.00 1 60 HIS -4.10 0.40 1 62 SER -1.80 -0.20 1 63 LYS 2.00 -0.10 1 65 SER -2.50 0.20 1 68 SER 1.60 -1.50 1 69 THR 1.90 -1.30 1 71 PHE -2.10 -0.40 1 72 LEU -3.80 -3.60 1 73 HIS -6.60 1.20 1 74 TYR -2.80 -2.60 1 75 ARG -6.30 -1.90 1 76 ALA -7.50 -3.50 1 77 TRP -5.80 1.90 1 78 THR 0.40 1.30 1 79 LYS 3.60 1.60 1 80 ASN 3.80 1.20 1 81 SER -0.10 -0.50 1 82 GLN 4.10 -1.30 1 83 HIS -1.30 0.50 1 84 LYS 1.40 -0.50 1 85 PHE -2.20 -1.30 1 86 GLU -5.30 -1.80 1 87 ASP -0.50 0.20 1 88 THR 6.70 3.10 1 89 TRP 7.60 4.00 1 90 HIS 3.10 2.70 1 91 GLU -0.60 -0.90 1 92 GLN 3.80 -0.60 1 93 GLN -2.90 -2.80 1 95 ILE -3.30 -1.60 1 96 GLU -4.20 -1.10 1 97 LEU -4.80 -3.40 1 98 VAL 1.00 -0.30 1 99 LEU 2.80 0.00 1 101 LYS -2.00 -0.50 1 102 GLU 0.30 -0.50 1 103 LYS 0.10 1.20 1 104 LYS 4.30 2.20 1 105 GLU 4.60 -1.60 1 106 LEU -1.10 -1.00 1 107 ALA 4.10 3.30 1 109 LEU 5.40 0.50 1 110 ALA 3.90 1.90 1 111 ILE 5.40 2.40 1 113 VAL 5.20 0.50 1 114 ALA 2.30 -0.60 1 115 SER -2.20 -0.30 1 116 MET -1.20 -3.10 1 117 LYS -4.10 0.30 1 118 SER 4.00 0.40 1 120 GLU -4.20 -2.10 1 121 ARG -6.30 -0.60 1 122 ALA -5.60 -3.40 1 123 LEU -3.50 -1.60 1 124 VAL -1.90 -1.80 1 125 HIS -2.20 1.30 1 126 VAL -4.50 -1.50 1 128 TRP 2.30 2.40 1 129 GLU 4.40 1.80 1 130 LEU -1.90 -3.30 1 131 ALA -1.80 -0.30 1 132 TYR 4.90 1.00 1 134 LYS 3.30 1.00 1 135 GLU 0.60 2.00 1 137 ASN -4.50 -0.60 1 138 PHE 3.10 0.10 1 139 SER -2.20 -2.70 1 140 PHE 2.90 -0.40 1 142 ASN -0.30 -1.50 1 143 VAL -4.60 -1.20 1 147 ALA -2.30 -2.40 1 148 ASP 1.90 0.90 1 149 LEU -6.10 -1.60 1 150 LEU -5.80 -3.00 1 151 TYR -5.00 0.10 1 152 GLU -3.60 -1.90 1 153 VAL -5.80 -2.70 1 154 GLU -7.40 -1.10 1 155 VAL 1.20 0.00 1 156 ILE 2.00 0.70 1 158 PHE -4.80 -1.70 1 159 ASP -3.00 -0.20 1 160 GLU -1.40 0.20 1 161 THR 0.70 0.20 1 162 LYS 1.00 0.40 1 163 GLU 0.50 0.60 1 165 LYS 0.00 -0.10 1 166 ALA 0.10 0.20 1 167 ARG 0.60 0.50 1 168 SER 0.60 -0.30 1 169 ASP 0.20 -0.20 1 170 MET 0.20 0.10 1 171 THR 0.30 0.00 1 172 VAL 0.80 -0.10 1 173 GLU 0.20 0.00 1 174 GLU -0.40 -0.50 1 175 ARG 0.40 0.00 1 176 ILE 0.70 0.60 1 178 ALA -0.60 -0.50 1 179 ALA -0.70 -1.30 1 stop_ save_