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 bmr19737_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.60 _LACS_plot.Line_1_terminator_val_y_1 -2.93 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.60 _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 6.17 _LACS_plot.Line_2_terminator_val_y_2 4.85 _LACS_plot.Y_axis_chem_shift_offset 0.10 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 43 ARG -5.28 -0.48 0 188 HIS 3.49 5.21 0 54 ALA -7.60 -2.39 0 10 ALA -0.06 0.17 1 13 ASN 1.66 0.51 1 14 THR 1.09 0.59 1 16 LEU -4.48 -2.35 1 17 LEU -2.20 -1.16 1 18 VAL -3.40 -2.67 1 19 SER -3.77 -1.25 1 20 ASN 1.17 1.36 1 21 LEU -1.30 -1.33 1 22 ASN 0.02 -0.69 1 23 GLU 2.78 2.39 1 24 GLU 0.44 0.97 1 25 MET -2.54 -0.68 1 26 VAL 3.14 2.13 1 29 GLN 5.45 3.57 1 30 SER 2.86 2.24 1 31 LEU 3.08 2.59 1 32 PHE 5.14 3.84 1 33 THR 5.46 4.24 1 34 LEU 2.94 3.39 1 35 PHE 5.98 4.00 1 37 VAL 3.34 2.97 1 38 TYR -0.46 1.50 1 42 GLN 0.70 0.51 1 44 VAL -5.50 -1.21 1 46 ILE 2.99 1.70 1 52 ASP -2.07 -1.66 1 53 SER -4.97 -0.76 1 55 LEU -4.81 -2.76 1 56 ILE -3.65 -1.72 1 57 GLN -3.13 -1.32 1 58 MET -2.24 -2.31 1 59 ALA 1.78 2.54 1 60 ASP -2.40 -1.34 1 62 ASN 3.69 2.82 1 64 SER 5.77 3.30 1 65 GLN 4.85 3.69 1 66 LEU 2.77 3.11 1 67 ALA 3.10 2.60 1 68 MET 4.42 4.61 1 69 ASN 3.53 2.74 1 70 HIS 0.06 2.44 1 71 LEU -0.19 -0.14 1 72 ASN 2.68 3.39 1 74 GLN -0.09 -1.97 1 75 LYS -1.81 -0.86 1 76 MET -2.35 -1.17 1 77 TYR 3.22 0.62 1 79 LYS -4.42 -2.26 1 80 ILE 1.57 -0.34 1 82 ARG -2.96 -2.26 1 83 VAL -2.50 -0.95 1 84 THR -4.58 -2.46 1 85 LEU -0.22 -0.10 1 86 SER -1.44 -1.14 1 90 THR -2.98 -1.98 1 91 VAL 0.20 -0.69 1 92 GLN -0.05 0.07 1 93 LEU -0.07 -1.04 1 95 ARG 0.37 0.00 1 96 GLU 1.48 0.91 1 98 LEU -0.55 -0.42 1 99 ASP -0.31 -0.39 1 100 ASP 0.40 0.19 1 101 GLN 2.62 0.42 1 103 LEU 0.26 0.05 1 104 THR -1.19 -1.07 1 105 LYS -5.17 -1.77 1 106 ASP -3.07 -1.00 1 107 PHE -1.84 -0.50 1 109 ASN 0.97 0.09 1 110 SER -0.55 -0.13 1 112 LEU -0.14 -0.58 1 113 HIS -1.37 1.13 1 115 PHE 3.28 0.95 1 126 ILE 0.07 -0.74 1 130 SER -4.62 -2.64 1 131 ALA 2.10 1.03 1 132 THR 2.32 0.99 1 133 LEU -5.02 -2.95 1 134 HIS -4.07 0.13 1 135 LEU -3.41 -1.93 1 136 SER -3.13 -0.97 1 137 ASN 1.04 0.32 1 138 ILE 0.42 -0.02 1 141 SER 1.00 0.10 1 142 VAL 0.91 0.62 1 143 ALA -4.83 -2.50 1 144 GLU 5.00 3.24 1 145 GLU 4.30 3.38 1 146 ASP 2.97 2.98 1 148 ARG 6.17 5.08 1 149 THR 5.57 4.71 1 150 LEU 2.91 3.17 1 151 PHE 5.40 3.92 1 152 ALA 2.72 1.65 1 153 ASN 2.44 1.44 1 154 THR 0.06 1.28 1 157 THR -0.54 0.41 1 158 VAL 2.29 0.30 1 159 LYS -0.38 -0.24 1 160 ALA -3.54 -0.47 1 161 PHE -4.07 -0.33 1 162 LYS -3.71 -0.18 1 163 PHE 0.70 1.56 1 169 MET -1.29 -1.99 1 171 LEU -3.04 0.10 1 172 LEU -5.36 -2.15 1 173 GLN -4.73 -1.55 1 174 MET -0.70 -2.47 1 175 ALA 2.81 3.30 1 177 VAL 5.25 3.91 1 178 GLU 5.42 4.54 1 179 GLU 4.00 2.15 1 180 ALA 2.91 3.38 1 181 ILE 5.66 5.58 1 182 GLN 3.73 2.60 1 183 ALA 3.27 2.84 1 184 LEU 5.87 5.50 1 185 ILE 5.67 5.15 1 186 ASP 2.64 3.21 1 187 LEU -0.41 -0.51 1 189 ASN 1.83 2.08 1 190 TYR 1.22 2.52 1 191 ASN 2.27 0.03 1 192 LEU -0.44 -0.16 1 194 GLU 2.92 0.83 1 195 ASN 2.40 1.31 1 196 HIS 1.01 0.76 1 197 HIS -0.29 -0.44 1 198 LEU -1.04 0.07 1 199 ARG -1.60 -1.43 1 200 VAL -2.01 -0.68 1 201 SER -3.14 -1.35 1 202 PHE 0.56 0.64 1 203 SER -2.68 -1.68 1 204 LYS 0.53 0.03 1 205 SER -0.65 0.06 1 206 THR -2.17 -1.22 1 207 ILE 3.05 3.39 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19737_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.60 _LACS_plot.Line_1_terminator_val_y_1 4.67 _LACS_plot.Line_1_terminator_val_x_2 2.00 _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 0.33 _LACS_plot.Line_2_terminator_val_x_2 6.17 _LACS_plot.Line_2_terminator_val_y_2 -1.32 _LACS_plot.Y_axis_chem_shift_offset 0.10 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 43 ARG -5.28 4.80 0 188 HIS 3.49 1.72 0 54 ALA -7.60 5.21 0 10 ALA -0.06 0.23 1 13 ASN 1.66 -1.15 1 14 THR 1.09 -0.50 1 16 LEU -4.48 2.13 1 17 LEU -2.20 1.04 1 18 VAL -3.40 0.73 1 19 SER -3.77 2.52 1 20 ASN 1.17 0.19 1 21 LEU -1.30 -0.03 1 22 ASN 0.02 -0.71 1 23 GLU 2.78 -0.39 1 24 GLU 0.44 0.53 1 25 MET -2.54 1.86 1 26 VAL 3.14 -1.01 1 29 GLN 5.45 -1.88 1 30 SER 2.86 -0.62 1 31 LEU 3.08 -0.49 1 32 PHE 5.14 -1.30 1 33 THR 5.46 -1.22 1 34 LEU 2.94 0.45 1 35 PHE 5.98 -1.98 1 37 VAL 3.34 -0.37 1 38 TYR -0.46 1.96 1 42 GLN 0.70 -0.19 1 44 VAL -5.50 4.29 1 46 ILE 2.99 -1.29 1 52 ASP -2.07 0.41 1 53 SER -4.97 4.21 1 55 LEU -4.81 2.05 1 56 ILE -3.65 1.93 1 57 GLN -3.13 1.81 1 58 MET -2.24 -0.07 1 59 ALA 1.78 0.76 1 60 ASP -2.40 1.06 1 62 ASN 3.69 -0.87 1 64 SER 5.77 -2.47 1 65 GLN 4.85 -1.16 1 66 LEU 2.77 0.34 1 67 ALA 3.10 -0.50 1 68 MET 4.42 0.19 1 69 ASN 3.53 -0.79 1 70 HIS 0.06 2.38 1 71 LEU -0.19 0.05 1 72 ASN 2.68 0.71 1 74 GLN -0.09 -1.88 1 75 LYS -1.81 0.95 1 76 MET -2.35 1.18 1 77 TYR 3.22 -2.60 1 79 LYS -4.42 2.16 1 80 ILE 1.57 -1.91 1 82 ARG -2.96 0.70 1 83 VAL -2.50 1.55 1 84 THR -4.58 2.12 1 85 LEU -0.22 0.12 1 86 SER -1.44 0.30 1 90 THR -2.98 1.00 1 91 VAL 0.20 -0.89 1 92 GLN -0.05 0.12 1 93 LEU -0.07 -0.97 1 95 ARG 0.37 -0.37 1 96 GLU 1.48 -0.57 1 98 LEU -0.55 0.13 1 99 ASP -0.31 -0.08 1 100 ASP 0.40 -0.21 1 101 GLN 2.62 -2.20 1 103 LEU 0.26 -0.21 1 104 THR -1.19 0.12 1 105 LYS -5.17 3.40 1 106 ASP -3.07 2.07 1 107 PHE -1.84 1.34 1 109 ASN 0.97 -0.88 1 110 SER -0.55 0.42 1 112 LEU -0.14 -0.44 1 113 HIS -1.37 2.50 1 115 PHE 3.28 -2.33 1 126 ILE 0.07 -0.81 1 130 SER -4.62 1.98 1 131 ALA 2.10 -1.07 1 132 THR 2.32 -1.33 1 133 LEU -5.02 2.07 1 134 HIS -4.07 4.20 1 135 LEU -3.41 1.48 1 136 SER -3.13 2.16 1 137 ASN 1.04 -0.72 1 138 ILE 0.42 -0.44 1 141 SER 1.00 -0.90 1 142 VAL 0.91 -0.29 1 143 ALA -4.83 2.33 1 144 GLU 5.00 -1.76 1 145 GLU 4.30 -0.92 1 146 ASP 2.97 0.01 1 148 ARG 6.17 -1.09 1 149 THR 5.57 -0.86 1 150 LEU 2.91 0.26 1 151 PHE 5.40 -1.48 1 152 ALA 2.72 -1.07 1 153 ASN 2.44 -1.00 1 154 THR 0.06 1.22 1 157 THR -0.54 0.95 1 158 VAL 2.29 -1.99 1 159 LYS -0.38 0.14 1 160 ALA -3.54 3.07 1 161 PHE -4.07 3.74 1 162 LYS -3.71 3.53 1 163 PHE 0.70 0.86 1 169 MET -1.29 -0.70 1 171 LEU -3.04 3.14 1 172 LEU -5.36 3.21 1 173 GLN -4.73 3.18 1 174 MET -0.70 -1.77 1 175 ALA 2.81 0.49 1 177 VAL 5.25 -1.34 1 178 GLU 5.42 -0.88 1 179 GLU 4.00 -1.85 1 180 ALA 2.91 0.47 1 181 ILE 5.66 -0.08 1 182 GLN 3.73 -1.13 1 183 ALA 3.27 -0.43 1 184 LEU 5.87 -0.37 1 185 ILE 5.67 -0.52 1 186 ASP 2.64 0.57 1 187 LEU -0.41 -0.10 1 189 ASN 1.83 0.25 1 190 TYR 1.22 1.30 1 191 ASN 2.27 -2.24 1 192 LEU -0.44 0.28 1 194 GLU 2.92 -2.09 1 195 ASN 2.40 -1.09 1 196 HIS 1.01 -0.25 1 197 HIS -0.29 -0.15 1 198 LEU -1.04 1.11 1 199 ARG -1.60 0.17 1 200 VAL -2.01 1.33 1 201 SER -3.14 1.79 1 202 PHE 0.56 0.08 1 203 SER -2.68 1.00 1 204 LYS 0.53 -0.50 1 205 SER -0.65 0.71 1 206 THR -2.17 0.95 1 207 ILE 3.05 0.34 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19737_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.60 _LACS_plot.Line_1_terminator_val_y_1 0.80 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.31 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.15 _LACS_plot.Line_2_terminator_val_x_2 6.17 _LACS_plot.Line_2_terminator_val_y_2 -0.79 _LACS_plot.Y_axis_chem_shift_offset 0.08 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 174 MET -0.70 1.19 0 10 ALA -0.06 -0.04 1 13 ASN 1.66 0.03 1 14 THR 1.09 -0.35 1 16 LEU -4.48 0.44 1 17 LEU -2.20 0.70 1 18 VAL -3.40 1.16 1 19 SER -3.77 0.96 1 20 ASN 1.17 -0.41 1 21 LEU -1.30 -0.20 1 22 ASN 0.02 -0.33 1 23 GLU 2.78 -0.51 1 24 GLU 0.44 -0.22 1 25 MET -2.54 -0.10 1 26 VAL 3.14 -0.29 1 29 GLN 5.45 -0.31 1 30 SER 2.86 -0.06 1 31 LEU 3.08 -0.14 1 32 PHE 5.14 -0.97 1 33 THR 5.46 -0.89 1 34 LEU 2.94 -0.42 1 35 PHE 5.98 -0.81 1 37 VAL 3.34 -0.99 1 38 TYR -0.46 -0.26 1 42 GLN 0.70 -0.02 1 43 ARG -5.28 0.98 1 44 VAL -5.50 0.77 1 46 ILE 2.99 -0.10 1 52 ASP -2.07 -0.23 1 53 SER -4.97 1.32 1 54 ALA -7.60 0.85 1 55 LEU -4.81 1.11 1 56 ILE -3.65 0.35 1 57 GLN -3.13 0.62 1 58 MET -2.24 0.75 1 59 ALA 1.78 -0.32 1 60 ASP -2.40 -0.20 1 62 ASN 3.69 -0.28 1 64 SER 5.77 -0.41 1 65 GLN 4.85 -0.58 1 66 LEU 2.77 -0.53 1 67 ALA 3.10 -0.83 1 68 MET 4.42 -0.87 1 69 ASN 3.53 -0.59 1 70 HIS 0.06 -0.16 1 71 LEU -0.19 -0.03 1 72 ASN 2.68 -0.55 1 74 GLN -0.09 -0.04 1 75 LYS -1.81 0.57 1 76 MET -2.35 -0.20 1 77 TYR 3.22 -0.18 1 79 LYS -4.42 0.21 1 80 ILE 1.57 -0.14 1 82 ARG -2.96 0.71 1 83 VAL -2.50 0.87 1 84 THR -4.58 0.37 1 85 LEU -0.22 0.09 1 86 SER -1.44 -0.17 1 90 THR -2.98 -0.21 1 91 VAL 0.20 -0.30 1 92 GLN -0.05 -0.25 1 93 LEU -0.07 -0.24 1 95 ARG 0.37 -0.20 1 96 GLU 1.48 -0.31 1 98 LEU -0.55 -0.01 1 99 ASP -0.31 -0.12 1 100 ASP 0.40 -0.19 1 101 GLN 2.62 -0.23 1 103 LEU 0.26 -0.04 1 104 THR -1.19 0.83 1 105 LYS -5.17 -0.06 1 106 ASP -3.07 0.11 1 107 PHE -1.84 -0.10 1 109 ASN 0.97 0.03 1 110 SER -0.55 -0.44 1 112 LEU -0.14 -0.12 1 113 HIS -1.37 -0.32 1 115 PHE 3.28 -0.29 1 126 ILE 0.07 -0.25 1 130 SER -4.62 -0.05 1 131 ALA 2.10 -0.30 1 132 THR 2.32 0.08 1 133 LEU -5.02 0.50 1 134 HIS -4.07 0.10 1 135 LEU -3.41 0.92 1 136 SER -3.13 0.79 1 137 ASN 1.04 -0.36 1 138 ILE 0.42 -0.11 1 141 SER 1.00 -0.35 1 142 VAL 0.91 -0.12 1 143 ALA -4.83 0.44 1 144 GLU 5.00 -1.41 1 145 GLU 4.30 -0.71 1 146 ASP 2.97 -0.36 1 148 ARG 6.17 -0.74 1 149 THR 5.57 -0.59 1 150 LEU 2.91 -0.57 1 151 PHE 5.40 -0.85 1 152 ALA 2.72 -0.02 1 153 ASN 2.44 -0.21 1 154 THR 0.06 -0.03 1 157 THR -0.54 -0.01 1 158 VAL 2.29 0.00 1 159 LYS -0.38 -0.17 1 160 ALA -3.54 0.10 1 161 PHE -4.07 0.12 1 162 LYS -3.71 -0.17 1 163 PHE 0.70 -0.15 1 169 MET -1.29 0.75 1 171 LEU -3.04 0.09 1 172 LEU -5.36 0.75 1 173 GLN -4.73 0.75 1 175 ALA 2.81 -0.41 1 177 VAL 5.25 -0.75 1 178 GLU 5.42 -0.46 1 179 GLU 4.00 -0.41 1 180 ALA 2.91 -0.13 1 181 ILE 5.66 -0.58 1 182 GLN 3.73 -0.64 1 183 ALA 3.27 -0.40 1 184 LEU 5.87 -0.75 1 185 ILE 5.67 -0.77 1 186 ASP 2.64 -0.12 1 187 LEU -0.41 0.18 1 188 HIS 3.49 -0.40 1 189 ASN 1.83 -0.68 1 190 TYR 1.22 -0.65 1 191 ASN 2.27 -0.76 1 192 LEU -0.44 -0.05 1 194 GLU 2.92 -0.56 1 195 ASN 2.40 -0.67 1 196 HIS 1.01 -0.22 1 197 HIS -0.29 0.11 1 198 LEU -1.04 -0.13 1 199 ARG -1.60 0.84 1 200 VAL -2.01 0.84 1 201 SER -3.14 -0.19 1 202 PHE 0.56 0.29 1 203 SER -2.68 -0.16 1 204 LYS 0.53 -0.38 1 205 SER -0.65 -0.11 1 206 THR -2.17 -0.01 1 207 ILE 3.05 -0.66 1 stop_ save_