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 bmr19264_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.69 _LACS_plot.Line_1_terminator_val_y_1 -4.12 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.37 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.30 _LACS_plot.Line_2_terminator_val_x_2 7.28 _LACS_plot.Line_2_terminator_val_y_2 4.91 _LACS_plot.Y_axis_chem_shift_offset 0.71 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 108 THR -6.69 -4.60 0 12 HIS -0.80 1.87 0 10 MET 0.93 -1.62 1 11 VAL -4.67 -2.97 1 13 GLN -4.15 -2.07 1 14 ALA 0.33 -0.76 1 15 ILE 1.69 0.50 1 16 SER -0.32 -0.56 1 18 ARG 4.80 2.83 1 19 THR 6.00 3.96 1 20 LEU 4.70 2.73 1 21 ASN 3.82 2.58 1 22 ALA 3.62 1.93 1 23 TRP 0.88 0.62 1 24 VAL 6.12 3.90 1 25 LYS 4.50 2.19 1 27 VAL 6.15 3.10 1 28 GLU 3.13 2.23 1 29 GLU 1.39 1.44 1 30 LYS 0.45 -1.22 1 31 ALA 2.65 0.14 1 32 PHE 2.93 -0.09 1 33 SER 0.77 0.18 1 35 GLU 2.73 1.73 1 36 VAL 4.63 2.44 1 37 ILE 4.16 2.37 1 39 MET 5.79 3.76 1 40 PHE 3.55 1.87 1 42 ALA -0.27 -1.27 1 44 SER 2.76 1.15 1 45 GLU 0.01 0.20 1 47 ALA 0.59 -0.30 1 48 THR 5.31 3.99 1 50 GLN 3.51 3.03 1 51 ASP 5.55 2.59 1 52 LEU 5.12 2.94 1 53 ASN 7.14 4.95 1 54 THR 5.33 4.52 1 55 MET 4.77 2.59 1 56 LEU 3.08 1.67 1 57 ASN 2.66 1.85 1 58 THR 2.74 0.36 1 59 VAL 1.04 0.38 1 62 HIS 6.25 4.32 1 63 GLN 4.13 1.86 1 64 ALA 3.52 1.82 1 65 ALA 4.03 0.81 1 66 MET 5.24 2.72 1 67 GLN 4.19 3.01 1 68 MET 5.11 3.42 1 69 LEU 5.47 3.17 1 70 LYS 4.01 2.50 1 71 GLU 6.75 5.11 1 72 THR 6.03 4.25 1 73 ILE 4.37 2.49 1 74 ASN 3.79 2.30 1 75 GLU 4.87 1.05 1 76 GLU 4.40 1.94 1 77 ALA 4.08 1.76 1 78 ALA 3.31 1.50 1 79 GLU 4.62 3.86 1 80 TRP 5.09 2.94 1 81 ASP 4.06 2.77 1 82 ARG 0.46 -0.37 1 83 LEU 1.88 -0.63 1 84 HIS 0.44 -0.50 1 86 VAL 0.23 0.42 1 87 HIS 0.05 -0.65 1 88 ALA -0.27 -1.39 1 91 ILE 0.59 -0.45 1 92 ALA -1.06 -1.53 1 95 GLN -1.69 -1.10 1 96 MET 0.65 -1.15 1 97 ARG -0.04 -0.37 1 98 GLU -1.94 -3.20 1 100 ARG 4.66 2.13 1 102 SER 2.72 2.24 1 103 ASP 7.28 4.21 1 104 ILE -0.88 -2.40 1 105 ALA 3.36 1.72 1 107 THR -0.24 -1.20 1 109 SER -3.61 -2.64 1 110 THR 4.18 1.76 1 111 LEU 5.97 3.40 1 112 GLN 3.38 1.76 1 113 GLU 6.34 3.88 1 114 GLN 5.58 4.06 1 115 ILE 6.86 4.12 1 117 TRP 2.81 3.87 1 118 MET -0.84 -1.13 1 119 THR 2.81 1.87 1 120 HIS -2.87 -2.47 1 121 ASN 1.50 0.03 1 124 ILE 6.23 3.17 1 126 VAL 2.67 1.20 1 128 GLU 5.45 3.70 1 129 ILE 0.24 -2.73 1 130 TYR 5.82 3.79 1 131 LYS 5.99 3.44 1 132 ARG 1.59 0.46 1 133 TRP 5.77 3.87 1 134 ILE 6.86 4.65 1 135 ILE 5.38 3.26 1 136 LEU 3.88 2.47 1 138 LEU 3.79 3.43 1 139 ASN 4.84 3.33 1 140 LYS 5.06 3.62 1 141 ILE 4.95 2.87 1 142 VAL 3.86 1.98 1 143 ARG 2.56 1.60 1 144 MET 1.24 0.49 1 145 TYR -0.08 -0.56 1 146 SER 0.62 -0.05 1 148 THR -1.19 -1.22 1 149 SER 1.81 0.31 1 150 ILE 2.80 0.96 1 151 LEU -0.64 -0.45 1 152 ASP 2.59 -1.46 1 153 ILE -3.01 -2.23 1 154 ARG 2.73 -0.30 1 155 GLN -0.77 -2.62 1 158 LYS -2.92 -1.16 1 159 GLU 5.98 4.83 1 161 PHE 5.24 3.31 1 162 ARG 4.17 2.47 1 163 ASP 2.59 1.12 1 164 TYR 6.07 3.69 1 165 VAL 3.69 3.01 1 166 ASP 4.65 3.50 1 167 ARG 5.24 4.04 1 168 PHE 7.24 4.90 1 169 TYR 4.95 3.27 1 170 LYS 6.11 4.18 1 171 THR 3.33 1.99 1 172 LEU 3.51 1.45 1 173 ARG 2.04 0.64 1 174 ALA 1.10 0.26 1 175 GLU 1.96 0.17 1 176 GLN 0.82 -0.01 1 177 ALA 0.00 -0.48 1 178 SER 1.57 0.78 1 179 GLN 1.25 0.41 1 183 ASN 1.84 0.75 1 184 ALA 2.08 0.49 1 185 ALA 4.21 3.01 1 186 THR 4.03 2.52 1 187 GLU 4.11 2.72 1 188 THR 3.26 1.92 1 189 LEU 3.70 1.92 1 190 LEU 5.37 3.43 1 191 VAL 4.10 2.69 1 192 GLN 0.45 -0.69 1 193 ASN 0.00 -1.20 1 194 ALA 3.55 -0.32 1 195 ASN 3.46 2.68 1 197 ASP 6.49 4.76 1 199 LYS 5.91 4.42 1 200 THR 4.43 2.87 1 201 ILE 3.40 1.99 1 202 LEU 4.50 2.10 1 203 LYS 2.04 0.43 1 204 ALA 1.79 0.79 1 205 LEU -0.05 -0.50 1 209 ALA -2.95 -1.83 1 210 THR 4.93 2.62 1 211 LEU 5.03 3.31 1 212 GLU 3.61 2.41 1 213 GLU 5.11 4.40 1 214 MET 4.63 3.54 1 215 MET 5.96 4.28 1 216 THR 3.00 1.93 1 217 ALA 3.88 2.16 1 219 GLN 2.92 0.70 1 221 VAL 0.98 0.86 1 226 HIS 0.75 -0.51 1 227 LYS 0.11 -0.59 1 228 ALA 0.68 -0.32 1 229 ARG 0.99 -0.25 1 230 VAL 1.26 1.25 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19264_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.69 _LACS_plot.Line_1_terminator_val_y_1 2.57 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.63 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.30 _LACS_plot.Line_2_terminator_val_x_2 7.28 _LACS_plot.Line_2_terminator_val_y_2 -2.37 _LACS_plot.Y_axis_chem_shift_offset 0.71 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 108 THR -6.69 2.09 0 12 HIS -0.80 2.67 0 10 MET 0.93 -2.55 1 11 VAL -4.67 1.70 1 13 GLN -4.15 2.08 1 14 ALA 0.33 -1.09 1 15 ILE 1.69 -1.19 1 16 SER -0.32 -0.24 1 18 ARG 4.80 -1.97 1 19 THR 6.00 -2.04 1 20 LEU 4.70 -1.97 1 21 ASN 3.82 -1.24 1 22 ALA 3.62 -1.69 1 23 TRP 0.88 -0.26 1 24 VAL 6.12 -2.22 1 25 LYS 4.50 -2.31 1 27 VAL 6.15 -3.05 1 28 GLU 3.13 -0.90 1 29 GLU 1.39 0.05 1 30 LYS 0.45 -1.67 1 31 ALA 2.65 -2.51 1 32 PHE 2.93 -3.02 1 33 SER 0.77 -0.59 1 35 GLU 2.73 -1.00 1 36 VAL 4.63 -2.19 1 37 ILE 4.16 -1.79 1 39 MET 5.79 -2.03 1 40 PHE 3.55 -1.68 1 42 ALA -0.27 -1.00 1 44 SER 2.76 -1.61 1 45 GLU 0.01 0.19 1 47 ALA 0.59 -0.89 1 48 THR 5.31 -1.32 1 50 GLN 3.51 -0.48 1 51 ASP 5.55 -2.96 1 52 LEU 5.12 -2.18 1 53 ASN 7.14 -2.19 1 54 THR 5.33 -0.81 1 55 MET 4.77 -2.18 1 56 LEU 3.08 -1.41 1 57 ASN 2.66 -0.81 1 58 THR 2.74 -2.38 1 59 VAL 1.04 -0.66 1 62 HIS 6.25 -1.93 1 63 GLN 4.13 -2.27 1 64 ALA 3.52 -1.70 1 65 ALA 4.03 -3.22 1 66 MET 5.24 -2.52 1 67 GLN 4.19 -1.18 1 68 MET 5.11 -1.69 1 69 LEU 5.47 -2.30 1 70 LYS 4.01 -1.51 1 71 GLU 6.75 -1.64 1 72 THR 6.03 -1.78 1 73 ILE 4.37 -1.88 1 74 ASN 3.79 -1.49 1 75 GLU 4.87 -3.82 1 76 GLU 4.40 -2.46 1 77 ALA 4.08 -2.32 1 78 ALA 3.31 -1.81 1 79 GLU 4.62 -0.76 1 80 TRP 5.09 -2.15 1 81 ASP 4.06 -1.29 1 82 ARG 0.46 -0.83 1 83 LEU 1.88 -2.51 1 84 HIS 0.44 -0.94 1 86 VAL 0.23 0.19 1 87 HIS 0.05 -0.70 1 88 ALA -0.27 -1.12 1 91 ILE 0.59 -1.04 1 92 ALA -1.06 -0.47 1 95 GLN -1.69 0.59 1 96 MET 0.65 -1.80 1 97 ARG -0.04 -0.33 1 98 GLU -1.94 -1.26 1 100 ARG 4.66 -2.53 1 102 SER 2.72 -0.48 1 103 ASP 7.28 -3.07 1 104 ILE -0.88 -1.52 1 105 ALA 3.36 -1.64 1 107 THR -0.24 -0.96 1 109 SER -3.61 0.97 1 110 THR 4.18 -2.42 1 111 LEU 5.97 -2.57 1 112 GLN 3.38 -1.62 1 113 GLU 6.34 -2.46 1 114 GLN 5.58 -1.52 1 115 ILE 6.86 -2.74 1 117 TRP 2.81 1.06 1 118 MET -0.84 -0.29 1 119 THR 2.81 -0.94 1 120 HIS -2.87 0.40 1 121 ASN 1.50 -1.47 1 124 ILE 6.23 -3.06 1 126 VAL 2.67 -1.47 1 128 GLU 5.45 -1.75 1 129 ILE 0.24 -2.97 1 130 TYR 5.82 -2.03 1 131 LYS 5.99 -2.55 1 132 ARG 1.59 -1.13 1 133 TRP 5.77 -1.90 1 134 ILE 6.86 -2.21 1 135 ILE 5.38 -2.12 1 136 LEU 3.88 -1.41 1 138 LEU 3.79 -0.36 1 139 ASN 4.84 -1.51 1 140 LYS 5.06 -1.44 1 141 ILE 4.95 -2.08 1 142 VAL 3.86 -1.88 1 143 ARG 2.56 -0.96 1 144 MET 1.24 -0.75 1 145 TYR -0.08 -0.48 1 146 SER 0.62 -0.67 1 148 THR -1.19 -0.03 1 149 SER 1.81 -1.50 1 150 ILE 2.80 -1.84 1 151 LEU -0.64 0.19 1 152 ASP 2.59 -4.05 1 153 ILE -3.01 0.78 1 154 ARG 2.73 -3.03 1 155 GLN -0.77 -1.85 1 158 LYS -2.92 1.76 1 159 GLU 5.98 -1.15 1 161 PHE 5.24 -1.93 1 162 ARG 4.17 -1.70 1 163 ASP 2.59 -1.47 1 164 TYR 6.07 -2.38 1 165 VAL 3.69 -0.68 1 166 ASP 4.65 -1.15 1 167 ARG 5.24 -1.20 1 168 PHE 7.24 -2.34 1 169 TYR 4.95 -1.68 1 170 LYS 6.11 -1.93 1 171 THR 3.33 -1.34 1 172 LEU 3.51 -2.06 1 173 ARG 2.04 -1.40 1 174 ALA 1.10 -0.84 1 175 GLU 1.96 -1.79 1 176 GLN 0.82 -0.83 1 177 ALA 0.00 -0.48 1 178 SER 1.57 -0.79 1 179 GLN 1.25 -0.84 1 183 ASN 1.84 -1.09 1 184 ALA 2.08 -1.59 1 185 ALA 4.21 -1.20 1 186 THR 4.03 -1.51 1 187 GLU 4.11 -1.39 1 188 THR 3.26 -1.34 1 189 LEU 3.70 -1.78 1 190 LEU 5.37 -1.94 1 191 VAL 4.10 -1.41 1 192 GLN 0.45 -1.14 1 193 ASN 0.00 -1.20 1 194 ALA 3.55 -3.87 1 195 ASN 3.46 -0.78 1 197 ASP 6.49 -1.73 1 199 LYS 5.91 -1.49 1 200 THR 4.43 -1.56 1 201 ILE 3.40 -1.41 1 202 LEU 4.50 -2.40 1 203 LYS 2.04 -1.61 1 204 ALA 1.79 -1.00 1 205 LEU -0.05 -0.45 1 209 ALA -2.95 1.12 1 210 THR 4.93 -2.31 1 211 LEU 5.03 -1.72 1 212 GLU 3.61 -1.20 1 213 GLU 5.11 -0.71 1 214 MET 4.63 -1.09 1 215 MET 5.96 -1.68 1 216 THR 3.00 -1.07 1 217 ALA 3.88 -1.72 1 219 GLN 2.92 -2.22 1 221 VAL 0.98 -0.12 1 226 HIS 0.75 -1.26 1 227 LYS 0.11 -0.70 1 228 ALA 0.68 -1.00 1 229 ARG 0.99 -1.24 1 230 VAL 1.26 -0.01 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19264_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.69 _LACS_plot.Line_1_terminator_val_y_1 -2.36 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.91 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.60 _LACS_plot.Line_2_terminator_val_x_2 7.28 _LACS_plot.Line_2_terminator_val_y_2 2.75 _LACS_plot.Y_axis_chem_shift_offset -0.14 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 103 ASP 7.28 -3.68 0 10 MET 0.93 -0.37 1 11 VAL -4.67 -2.09 1 13 GLN -4.15 -2.28 1 14 ALA 0.33 0.33 1 15 ILE 1.69 -1.75 1 16 SER -0.32 1.20 1 18 ARG 4.80 3.05 1 19 THR 6.00 1.12 1 20 LEU 4.70 0.99 1 21 ASN 3.82 2.33 1 23 TRP 0.88 -0.19 1 24 VAL 6.12 2.01 1 25 LYS 4.50 2.10 1 27 VAL 6.15 2.72 1 28 GLU 3.13 1.95 1 29 GLU 1.39 1.83 1 30 LYS 0.45 0.12 1 31 ALA 2.65 -3.79 1 32 PHE 2.93 -1.14 1 33 SER 0.77 0.23 1 35 GLU 2.73 0.74 1 36 VAL 4.63 0.51 1 37 ILE 4.16 1.03 1 39 MET 5.79 2.94 1 40 PHE 3.55 2.52 1 42 ALA -0.27 0.19 1 44 SER 2.76 1.63 1 45 GLU 0.01 0.66 1 47 ALA 0.59 1.42 1 48 THR 5.31 2.92 1 50 GLN 3.51 1.92 1 51 ASP 5.55 1.38 1 52 LEU 5.12 2.95 1 53 ASN 7.14 2.39 1 54 THR 5.33 3.18 1 55 MET 4.77 1.38 1 56 LEU 3.08 1.90 1 57 ASN 2.66 0.26 1 58 THR 2.74 -0.31 1 59 VAL 6.25 2.62 1 63 GLN 4.13 2.85 1 64 ALA 3.52 1.36 1 65 ALA 4.03 3.14 1 66 MET 5.24 2.37 1 67 GLN 4.19 3.37 1 68 MET 5.11 0.85 1 69 LEU 5.47 2.29 1 70 LYS 4.01 2.86 1 71 GLU 6.75 1.22 1 72 THR 6.03 0.44 1 73 ILE 4.37 3.44 1 74 ASN 3.79 2.95 1 75 GLU 4.87 2.82 1 76 GLU 4.40 1.09 1 77 ALA 4.08 3.57 1 78 ALA 3.31 1.84 1 79 GLU 4.62 3.52 1 80 TRP 5.09 2.26 1 81 ASP 4.06 1.92 1 82 ARG 0.46 -1.30 1 83 LEU 0.44 0.00 1 86 VAL 0.05 -0.32 1 88 ALA -0.27 -0.62 1 91 ILE 0.59 -0.85 1 92 ALA -1.06 -0.81 1 95 GLN -1.69 -0.23 1 96 MET 0.65 -1.42 1 97 ARG -0.04 -0.20 1 98 GLU -1.94 2.24 1 100 ARG 4.66 2.34 1 102 SER 2.72 3.49 1 104 ILE -0.88 -0.55 1 105 ALA 3.36 2.32 1 107 THR -0.24 -1.43 1 108 THR -6.69 -0.51 1 109 SER -3.61 1.18 1 110 THR 4.18 0.57 1 111 LEU 5.97 3.69 1 112 GLN 3.38 1.16 1 113 GLU 6.34 2.24 1 114 GLN 5.58 3.16 1 115 ILE 6.86 2.84 1 117 TRP 2.81 1.08 1 118 MET -0.84 -1.00 1 119 THR -2.87 -0.92 1 121 ASN 1.50 1.28 1 124 ILE 6.23 0.28 1 126 VAL 2.67 2.96 1 128 GLU 5.45 -0.24 1 129 ILE 0.24 2.35 1 130 TYR 5.82 1.12 1 131 LYS 5.99 2.87 1 132 ARG 1.59 2.31 1 133 TRP 5.77 1.81 1 134 ILE 6.86 2.06 1 135 ILE 5.38 3.07 1 136 LEU 3.88 1.25 1 138 LEU 3.79 2.54 1 139 ASN 4.84 2.34 1 140 LYS 5.06 1.84 1 141 ILE 4.95 2.54 1 142 VAL 3.86 1.61 1 143 ARG 2.56 0.74 1 144 MET 1.24 -0.08 1 145 TYR 0.62 -0.32 1 148 THR -1.19 1.45 1 149 SER 1.81 -0.56 1 150 ILE 2.80 0.12 1 151 LEU -0.64 -0.40 1 152 ASP 2.59 -2.55 1 153 ILE -3.01 -0.47 1 154 ARG 2.73 1.14 1 155 GLN -0.77 -0.95 1 158 LYS -2.92 -0.29 1 159 GLU 5.98 1.00 1 161 PHE 5.24 1.01 1 162 ARG 4.17 1.90 1 163 ASP 2.59 -0.07 1 164 TYR 6.07 1.51 1 165 VAL 3.69 2.51 1 166 ASP 4.65 2.66 1 167 ARG 5.24 1.37 1 168 PHE 7.24 3.03 1 169 TYR 4.95 2.86 1 170 LYS 6.11 1.06 1 171 THR 3.33 0.67 1 172 LEU 3.51 1.56 1 173 ARG 2.04 0.95 1 174 ALA 1.96 0.01 1 176 GLN 0.82 0.14 1 177 ALA 0.00 0.23 1 178 SER 1.25 0.33 1 183 ASN 1.84 0.60 1 184 ALA 2.08 1.21 1 185 ALA 4.21 0.82 1 186 THR 4.03 1.37 1 187 GLU 4.11 1.73 1 188 THR 3.26 -0.14 1 189 LEU 3.70 2.78 1 190 LEU 5.37 1.12 1 191 VAL 4.10 1.69 1 192 GLN 0.45 -0.32 1 193 ASN 0.00 -2.09 1 194 ALA 3.55 -0.62 1 195 ASN 3.46 2.81 1 197 ASP 6.49 1.52 1 199 LYS 5.91 1.72 1 200 THR 4.43 2.02 1 201 ILE 3.40 3.06 1 202 LEU 4.50 1.75 1 203 LYS 2.04 1.01 1 204 ALA 1.79 0.87 1 205 LEU -0.05 -0.06 1 209 ALA -2.95 1.18 1 210 THR 4.93 1.56 1 211 LEU 5.03 2.96 1 212 GLU 3.61 3.55 1 213 GLU 5.11 1.18 1 214 MET 4.63 3.43 1 215 MET 5.96 2.02 1 216 THR 3.00 1.80 1 217 ALA 3.88 0.51 1 219 GLN 2.92 0.74 1 221 VAL 0.75 -0.70 1 227 LYS 0.11 -0.42 1 228 ALA 0.68 -0.41 1 229 ARG 0.99 -1.28 1 230 VAL 1.26 4.47 1 stop_ save_