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 bmr26607_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.50 _LACS_plot.Line_1_terminator_val_y_1 -4.22 _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 -1.05 _LACS_plot.Line_2_terminator_val_x_2 8.90 _LACS_plot.Line_2_terminator_val_y_2 6.77 _LACS_plot.Y_axis_chem_shift_offset -0.30 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 43 HIS 3.80 8.20 0 128 LYS -8.50 -1.40 0 10 SER 1.10 1.20 1 11 ILE 4.20 3.50 1 12 ASP 6.00 3.30 1 13 GLU 4.70 4.30 1 14 GLN 3.50 3.60 1 15 SER 3.60 2.90 1 16 LEU 4.80 3.40 1 17 HIS 5.10 4.70 1 18 ASN 3.70 3.10 1 19 ALA 4.10 3.10 1 20 ARG 5.00 4.40 1 21 ARG 4.30 3.40 1 22 LEU 4.80 3.30 1 23 PHE 2.60 3.70 1 24 GLU 2.70 3.60 1 25 SER 0.10 1.80 1 27 ASP 5.20 3.50 1 28 ILE -0.70 -1.20 1 29 ASP 2.60 2.20 1 30 ARG -0.10 -0.40 1 31 ILE -0.20 -1.50 1 32 GLU -0.10 1.10 1 33 VAL 1.60 1.40 1 35 THR -5.60 -3.10 1 36 THR 3.70 6.20 1 37 ALA 4.20 2.80 1 39 LEU 5.10 3.30 1 40 GLN 4.30 5.80 1 41 GLN 4.00 4.00 1 42 ILE 5.20 5.40 1 44 ARG 4.30 3.80 1 45 TYR 2.70 3.20 1 46 LEU 3.80 3.50 1 47 PHE -0.80 -0.40 1 50 LEU -0.10 0.40 1 54 ALA 2.30 1.40 1 56 GLN -1.20 -0.60 1 57 ILE 1.20 -1.00 1 58 ARG 0.40 0.70 1 59 GLU -2.20 -1.00 1 60 ASP -2.90 -0.90 1 61 ASN 0.20 0.40 1 62 ILE -1.00 0.10 1 63 SER -0.40 0.20 1 64 LYS 0.20 0.60 1 67 PHE 0.00 0.40 1 68 ARG 0.80 0.20 1 69 PHE -1.20 -0.80 1 70 ALA 0.60 0.60 1 71 ASN -0.90 0.00 1 72 ALA 1.60 1.20 1 73 MET 1.50 1.60 1 74 TYR 3.60 3.60 1 75 LEU 8.90 4.30 1 76 LYS 6.80 3.60 1 77 GLU 3.30 2.40 1 78 ALA 4.20 2.80 1 79 LEU 5.30 3.30 1 80 VAL 5.10 4.10 1 81 LYS 3.90 2.80 1 82 ILE 4.60 4.60 1 83 GLU 4.10 3.20 1 84 GLN 1.10 0.70 1 85 MET 3.00 2.90 1 87 GLU -3.10 -2.50 1 88 ARG 2.50 2.90 1 89 THR -7.10 -3.90 1 90 PHE 5.30 5.00 1 91 GLU 7.40 5.90 1 92 GLU 3.90 3.00 1 93 ILE 6.60 5.70 1 94 ILE 5.60 0.70 1 95 ALA 4.70 3.30 1 96 LYS 5.50 3.60 1 97 TYR 2.40 3.30 1 98 VAL 6.40 5.20 1 99 ARG 4.50 3.00 1 100 MET 2.50 2.20 1 101 ASN 3.80 4.20 1 102 ILE 3.40 3.50 1 103 ALA 4.30 2.70 1 104 ALA 1.60 1.60 1 106 PHE -6.10 -2.90 1 107 LEU 5.40 2.80 1 108 GLU -6.60 -2.20 1 110 ASN 4.10 5.10 1 112 ARG 3.60 3.30 1 113 SER 4.40 3.80 1 114 THR 5.20 4.40 1 115 ARG 7.20 6.80 1 116 ILE 4.50 4.60 1 117 TRP 3.90 4.90 1 118 LEU 4.60 3.40 1 119 ASP 4.50 4.20 1 120 LEU 3.80 3.10 1 121 VAL 6.30 4.70 1 122 LEU 4.00 4.20 1 123 LYS 5.60 5.40 1 124 LYS 2.30 3.30 1 125 ASN 0.00 3.40 1 126 LEU -2.10 -1.20 1 127 LYS 5.30 1.40 1 129 VAL -6.00 -2.40 1 130 VAL 3.30 1.60 1 131 ASN -0.30 -3.40 1 132 TRP 2.00 2.90 1 133 GLN 4.70 2.80 1 134 ASN -1.30 -0.60 1 135 VAL 2.80 0.30 1 136 SER -0.40 0.10 1 137 LYS 4.20 4.50 1 138 THR 5.60 4.80 1 139 LEU 3.30 2.50 1 140 TYR 4.70 4.50 1 141 LEU 5.10 3.30 1 142 GLN 3.80 3.40 1 143 ALA 4.20 2.80 1 144 MET 4.30 1.10 1 145 GLU 0.60 0.80 1 146 ARG 3.50 3.70 1 147 SER 1.60 2.20 1 149 VAL 0.60 1.10 1 150 ASN -0.50 0.50 1 151 ASP 0.00 -0.30 1 152 LEU 4.90 4.70 1 153 ARG 5.30 3.80 1 154 LEU 2.90 2.90 1 155 ARG 5.10 5.40 1 156 PHE 4.40 3.10 1 157 LEU 1.90 2.70 1 158 LEU 4.90 2.80 1 159 LYS 4.90 3.60 1 160 ASP 1.40 1.50 1 161 ASN -2.50 0.20 1 162 LEU -1.30 -0.20 1 163 THR -2.20 -2.50 1 164 ASP -0.30 -0.10 1 165 ASP 1.40 -1.40 1 166 VAL 3.40 1.80 1 167 ASP -1.30 -0.80 1 168 ASN 0.90 0.50 1 169 ARG 4.60 3.40 1 170 GLU 3.90 3.20 1 171 ILE 5.00 4.30 1 172 ILE 4.70 4.20 1 173 PHE 4.90 2.00 1 174 LYS 4.60 2.80 1 176 ILE 4.10 3.80 1 177 GLU 4.40 3.90 1 178 GLN 4.80 3.00 1 179 SER 1.10 0.20 1 180 TYR 3.80 1.70 1 181 TYR 2.50 0.60 1 182 TYR -0.50 -1.00 1 183 GLU -0.20 0.50 1 185 TYR -2.00 -0.80 1 186 GLU 0.60 0.70 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26607_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.50 _LACS_plot.Line_1_terminator_val_y_1 4.28 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.73 _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 8.90 _LACS_plot.Line_2_terminator_val_y_2 -2.13 _LACS_plot.Y_axis_chem_shift_offset -0.30 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 43 HIS 3.80 4.40 0 128 LYS -8.50 7.10 0 10 SER 1.10 0.10 1 11 ILE 4.20 -0.70 1 12 ASP 6.00 -2.70 1 13 GLU 4.70 -0.40 1 14 GLN 3.50 0.10 1 15 SER 3.60 -0.70 1 16 LEU 4.80 -1.40 1 17 HIS 5.10 -0.40 1 18 ASN 3.70 -0.60 1 19 ALA 4.10 -1.00 1 20 ARG 5.00 -0.60 1 21 ARG 4.30 -0.90 1 22 LEU 4.80 -1.50 1 23 PHE 2.60 1.10 1 24 GLU 2.70 0.90 1 25 SER 0.10 1.70 1 27 ASP 5.20 -1.70 1 28 ILE -0.70 -0.50 1 29 ASP 2.60 -0.40 1 30 ARG -0.10 -0.30 1 31 ILE -0.20 -1.30 1 32 GLU -0.10 1.20 1 33 VAL 1.60 -0.20 1 35 THR -5.60 2.50 1 36 THR 3.70 2.50 1 37 ALA 4.20 -1.40 1 39 LEU 5.10 -1.80 1 40 GLN 4.30 1.50 1 41 GLN 4.00 0.00 1 42 ILE 5.20 0.20 1 44 ARG 4.30 -0.50 1 45 TYR 2.70 0.50 1 46 LEU 3.80 -0.30 1 47 PHE -0.80 0.40 1 50 LEU -0.10 0.50 1 54 ALA 2.30 -0.90 1 56 GLN -1.20 0.60 1 57 ILE 1.20 -2.20 1 58 ARG 0.40 0.30 1 59 GLU -2.20 1.20 1 60 ASP -2.90 2.00 1 61 ASN 0.20 0.20 1 62 ILE -1.00 1.10 1 63 SER -0.40 0.60 1 64 LYS 0.20 0.40 1 67 PHE 0.00 0.40 1 68 ARG 0.80 -0.60 1 69 PHE -1.20 0.40 1 70 ALA 0.60 0.00 1 71 ASN -0.90 0.90 1 72 ALA 1.60 -0.40 1 73 MET 1.50 0.10 1 74 TYR 3.60 0.00 1 75 LEU 8.90 -4.60 1 76 LYS 6.80 -3.20 1 77 GLU 3.30 -0.90 1 78 ALA 4.20 -1.40 1 79 LEU 5.30 -2.00 1 80 VAL 5.10 -1.00 1 81 LYS 3.90 -1.10 1 82 ILE 4.60 0.00 1 83 GLU 4.10 -0.90 1 84 GLN 1.10 -0.40 1 85 MET 3.00 -0.10 1 87 GLU -3.10 0.60 1 88 ARG 2.50 0.40 1 89 THR -7.10 3.20 1 90 PHE 5.30 -0.30 1 91 GLU 7.40 -1.50 1 92 GLU 3.90 -0.90 1 93 ILE 6.60 -0.90 1 94 ILE 5.60 -4.90 1 95 ALA 4.70 -1.40 1 96 LYS 5.50 -1.90 1 97 TYR 2.40 0.90 1 98 VAL 6.40 -1.20 1 99 ARG 4.50 -1.50 1 100 MET 2.50 -0.30 1 101 ASN 3.80 0.40 1 102 ILE 3.40 0.10 1 103 ALA 4.30 -1.60 1 104 ALA 1.60 0.00 1 106 PHE -6.10 3.20 1 107 LEU 5.40 -2.60 1 108 GLU -6.60 4.40 1 110 ASN 4.10 1.00 1 112 ARG 3.60 -0.30 1 113 SER 4.40 -0.60 1 114 THR 5.20 -0.80 1 115 ARG 7.20 -0.40 1 116 ILE 4.50 0.10 1 117 TRP 3.90 1.00 1 118 LEU 4.60 -1.20 1 119 ASP 4.50 -0.30 1 120 LEU 3.80 -0.70 1 121 VAL 6.30 -1.60 1 122 LEU 4.00 0.20 1 123 LYS 5.60 -0.20 1 124 LYS 2.30 1.00 1 125 ASN 0.00 3.40 1 126 LEU -2.10 0.90 1 127 LYS 5.30 -3.90 1 129 VAL -6.00 3.60 1 130 VAL 3.30 -1.70 1 131 ASN -0.30 -3.10 1 132 TRP 2.00 0.90 1 133 GLN 4.70 -1.90 1 134 ASN -1.30 0.70 1 135 VAL 2.80 -2.50 1 136 SER -0.40 0.50 1 137 LYS 4.20 0.30 1 138 THR 5.60 -0.80 1 139 LEU 3.30 -0.80 1 140 TYR 4.70 -0.20 1 141 LEU 5.10 -1.80 1 142 GLN 3.80 -0.40 1 143 ALA 4.20 -1.40 1 144 MET 4.30 -3.20 1 145 GLU 0.60 0.20 1 146 ARG 3.50 0.20 1 147 SER 1.60 0.60 1 149 VAL 0.60 0.50 1 150 ASN -0.50 1.00 1 151 ASP 0.00 -0.30 1 152 LEU 4.90 -0.20 1 153 ARG 5.30 -1.50 1 154 LEU 2.90 0.00 1 155 ARG 5.10 0.30 1 156 PHE 4.40 -1.30 1 157 LEU 1.90 0.80 1 158 LEU 4.90 -2.10 1 159 LYS 4.90 -1.30 1 160 ASP 1.40 0.10 1 161 ASN -2.50 2.70 1 162 LEU -1.30 1.10 1 163 THR -2.20 -0.30 1 164 ASP -0.30 0.20 1 165 ASP 1.40 -2.80 1 166 VAL 3.40 -1.60 1 167 ASP -1.30 0.50 1 168 ASN 0.90 -0.40 1 169 ARG 4.60 -1.20 1 170 GLU 3.90 -0.70 1 171 ILE 5.00 -0.70 1 172 ILE 4.70 -0.50 1 173 PHE 4.90 -2.90 1 174 LYS 4.60 -1.80 1 176 ILE 4.10 -0.30 1 177 GLU 4.40 -0.50 1 178 GLN 4.80 -1.80 1 179 SER 1.10 -0.90 1 180 TYR 3.80 -2.10 1 181 TYR 2.50 -1.90 1 182 TYR -0.50 -0.50 1 183 GLU -0.20 0.70 1 185 TYR -2.00 1.20 1 186 GLU 0.60 0.10 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26607_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.50 _LACS_plot.Line_1_terminator_val_y_1 -2.17 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.23 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.39 _LACS_plot.Line_2_terminator_val_x_2 8.90 _LACS_plot.Line_2_terminator_val_y_2 3.74 _LACS_plot.Y_axis_chem_shift_offset -0.47 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 89 THR -7.10 0.00 0 35 THR -5.60 2.40 0 106 PHE -6.10 2.00 0 128 LYS -8.50 -2.60 0 10 SER 1.10 1.90 1 13 GLU 4.70 2.90 1 14 GLN 3.50 2.80 1 15 SER 3.60 1.00 1 16 LEU 4.80 1.60 1 17 HIS 5.10 4.50 1 18 ASN 3.70 2.10 1 19 ALA 4.10 1.00 1 20 ARG 5.00 3.00 1 21 ARG 4.30 2.40 1 22 LEU 4.80 -0.60 1 23 PHE 2.60 3.70 1 24 GLU 2.70 2.10 1 25 SER 0.10 1.80 1 27 ASP 5.20 2.60 1 28 ILE -0.70 -1.50 1 29 ASP 2.60 0.50 1 30 ARG -0.10 -0.10 1 31 ILE -0.20 -0.10 1 32 GLU -0.10 -1.10 1 33 VAL 1.60 3.30 1 36 THR 3.70 2.10 1 37 ALA 4.20 4.00 1 39 LEU 5.10 2.10 1 40 GLN 4.30 2.70 1 41 GLN 4.00 4.50 1 42 ILE 5.20 0.40 1 43 HIS 3.80 3.60 1 44 ARG 4.30 1.80 1 45 TYR 2.70 3.50 1 46 LEU 3.80 3.10 1 47 PHE -0.80 0.00 1 50 LEU -0.10 -2.30 1 54 ALA 2.30 1.30 1 56 GLN -1.20 0.20 1 57 ILE 1.20 -0.50 1 58 ARG 0.40 4.60 1 59 GLU -2.20 2.10 1 60 ASP -2.90 -0.50 1 61 ASN 0.20 0.00 1 62 ILE -1.00 -0.20 1 63 SER -0.40 1.30 1 64 LYS 0.20 0.00 1 67 PHE 0.00 -0.50 1 68 ARG 0.80 -2.20 1 69 PHE -1.20 2.20 1 70 ALA 0.60 -1.20 1 71 ASN -0.90 3.00 1 72 ALA 1.60 -1.30 1 73 MET 1.50 5.00 1 74 TYR 3.60 0.40 1 75 LEU 8.90 2.90 1 76 LYS 6.80 2.70 1 77 GLU 3.30 2.50 1 78 ALA 4.20 3.10 1 79 LEU 5.30 1.20 1 80 VAL 5.10 1.80 1 81 LYS 3.90 3.90 1 82 ILE 4.60 2.90 1 83 GLU 4.10 1.30 1 84 GLN 1.10 0.60 1 85 MET 3.00 0.10 1 87 GLU -3.10 -2.30 1 88 ARG 2.50 2.20 1 90 PHE 5.30 -0.10 1 91 GLU 7.40 3.30 1 92 GLU 3.90 3.60 1 93 ILE 6.60 1.40 1 94 ILE 5.60 1.40 1 95 ALA 4.70 2.60 1 96 LYS 5.50 2.70 1 97 TYR 2.40 1.40 1 98 VAL 6.40 2.70 1 99 ARG 4.50 1.60 1 100 MET 2.50 1.50 1 101 ASN 3.80 2.20 1 102 ILE 3.40 0.70 1 103 ALA 4.30 -0.90 1 104 ALA 1.60 -1.70 1 107 LEU 5.40 -0.30 1 108 GLU -6.60 -0.20 1 110 ASN 4.10 4.40 1 112 ARG 3.60 3.30 1 113 SER 4.40 4.90 1 114 THR 5.20 1.60 1 115 ARG 7.20 1.60 1 116 ILE 4.50 1.40 1 117 TRP 3.90 2.30 1 118 LEU 4.60 0.00 1 119 ASP 4.50 3.10 1 120 LEU 3.80 2.80 1 121 VAL 6.30 4.00 1 122 LEU 4.00 2.30 1 123 LYS 5.60 3.50 1 124 LYS 2.30 1.00 1 125 ASN 0.00 0.90 1 126 LEU -2.10 -1.40 1 127 LYS 5.30 -1.80 1 129 VAL -6.00 -1.10 1 130 VAL 3.30 -0.20 1 131 ASN -0.30 0.80 1 132 TRP 2.00 2.30 1 133 GLN 4.70 -0.70 1 134 ASN -1.30 -0.70 1 135 VAL 2.80 -0.20 1 136 SER -0.40 -0.20 1 137 LYS 4.20 1.00 1 138 THR 5.60 2.40 1 139 LEU 3.30 2.60 1 140 TYR 4.70 1.00 1 141 LEU 5.10 3.60 1 142 GLN 3.80 3.10 1 143 ALA 4.20 3.80 1 144 MET 4.30 5.10 1 145 GLU 0.60 -1.20 1 146 ARG 3.50 0.30 1 147 SER 1.60 3.40 1 149 VAL 0.60 0.10 1 150 ASN -0.50 0.40 1 151 ASP 0.00 0.20 1 152 LEU 4.90 1.10 1 153 ARG 5.30 3.60 1 154 LEU 2.90 0.10 1 155 ARG 5.10 2.40 1 156 PHE 4.40 2.10 1 157 LEU 1.90 1.10 1 158 LEU 4.90 1.70 1 159 LYS 4.90 2.70 1 160 ASP 1.40 0.10 1 161 ASN -2.50 -2.10 1 162 LEU -1.30 0.10 1 163 THR -2.20 -2.90 1 164 ASP -0.30 1.40 1 165 ASP 1.40 1.20 1 166 VAL 3.40 -1.40 1 167 ASP -1.30 -0.20 1 168 ASN 0.90 0.60 1 169 ARG 4.60 0.80 1 170 GLU 3.90 2.40 1 171 ILE 5.00 3.80 1 172 ILE 4.70 3.00 1 173 PHE 4.90 4.30 1 174 LYS 4.60 4.00 1 176 ILE 4.10 1.90 1 177 GLU 4.40 2.30 1 178 GLN 4.80 1.10 1 179 SER 1.10 4.10 1 180 TYR 3.80 -2.00 1 181 TYR 2.50 1.10 1 182 TYR -0.50 0.10 1 183 GLU -0.20 -0.80 1 185 TYR -2.00 -1.20 1 186 GLU 0.60 -0.30 1 stop_ save_