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 bmr30035_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.26 _LACS_plot.Line_1_terminator_val_y_1 -4.46 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.76 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.65 _LACS_plot.Line_2_terminator_val_x_2 7.15 _LACS_plot.Line_2_terminator_val_y_2 5.35 _LACS_plot.Y_axis_chem_shift_offset 0.25 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 158 LYS -4.02 -1.03 0 152 ASP 1.15 -2.20 0 108 THR -7.26 -4.42 0 14 ALA -0.43 -0.76 1 15 ILE 0.99 0.71 1 16 SER -1.24 -0.90 1 18 ARG 4.19 2.96 1 19 THR 6.27 4.54 1 20 LEU 4.98 2.79 1 21 ASN 3.01 2.44 1 22 ALA 3.32 2.19 1 23 TRP 0.96 0.71 1 24 VAL 5.64 4.18 1 25 LYS 6.00 2.26 1 26 VAL 5.43 3.40 1 27 VAL 4.62 3.44 1 28 GLU 2.18 2.04 1 29 GLU 1.08 1.49 1 32 PHE -0.80 -0.90 1 33 SER 1.35 1.20 1 35 GLU 2.59 2.27 1 36 VAL 4.52 3.17 1 37 ILE 4.31 2.24 1 39 MET 5.59 3.86 1 40 PHE 5.17 3.75 1 41 SER 1.75 1.64 1 42 ALA 1.05 0.55 1 43 LEU -1.06 -1.43 1 44 SER 2.15 1.36 1 45 GLU -0.61 0.37 1 47 ALA 0.46 -0.31 1 48 THR 2.62 3.10 1 50 GLN 2.73 3.46 1 51 ASP 3.19 2.83 1 52 LEU 3.51 2.93 1 53 ASN 7.15 5.29 1 54 THR 4.81 4.62 1 55 MET 4.45 3.60 1 56 LEU 2.25 1.45 1 57 ASN 2.51 1.77 1 59 VAL 3.51 4.17 1 63 GLN 3.92 3.18 1 64 ALA 3.09 2.28 1 65 ALA 3.74 0.74 1 66 MET 3.01 2.14 1 69 LEU 4.14 2.56 1 70 LYS 6.88 5.07 1 72 THR 5.67 4.48 1 73 ILE 3.96 2.59 1 74 ASN 1.95 1.32 1 75 GLU 4.31 1.14 1 76 GLU 3.71 2.05 1 77 ALA 3.35 1.90 1 78 ALA 2.97 1.97 1 79 GLU 6.41 4.42 1 80 TRP 5.83 1.98 1 81 ASP 3.46 2.82 1 82 ARG -0.21 -0.13 1 83 LEU 0.88 -0.54 1 84 HIS -0.17 -0.17 1 86 VAL -0.39 -0.41 1 88 ALA 0.25 0.03 1 92 ALA -0.16 -0.01 1 98 GLU -3.01 -3.11 1 100 ARG 4.41 2.33 1 102 SER 2.20 2.36 1 103 ASP 6.65 4.48 1 104 ILE -1.45 -2.15 1 105 ALA 3.07 1.93 1 107 THR -0.46 -1.11 1 109 SER -3.92 -2.63 1 110 THR 4.54 2.70 1 111 LEU 5.42 3.69 1 112 GLN 4.48 1.52 1 113 GLU 3.86 4.18 1 114 GLN 4.70 4.34 1 115 ILE 6.69 4.46 1 117 TRP 2.09 4.01 1 118 MET -1.02 -1.05 1 119 THR 2.37 2.13 1 120 HIS -3.45 -2.41 1 121 ASN 1.06 0.38 1 124 ILE 5.53 3.30 1 126 VAL 2.31 1.53 1 128 GLU 4.83 3.90 1 129 ILE -0.86 -2.03 1 130 TYR 0.62 0.86 1 133 TRP 4.62 3.95 1 134 ILE 6.40 5.06 1 135 ILE 4.53 3.44 1 136 LEU 3.19 2.72 1 138 LEU 5.45 5.15 1 139 ASN -2.82 -2.19 1 148 THR -2.07 -1.12 1 149 SER 0.21 -1.24 1 150 ILE 4.15 2.80 1 151 LEU -1.11 -0.29 1 153 ILE -4.16 -2.12 1 154 ARG 2.13 -0.21 1 155 GLN -1.32 -2.28 1 159 GLU 4.85 4.62 1 161 PHE 3.93 2.74 1 163 ASP 4.51 4.54 1 168 PHE 6.48 5.57 1 169 TYR 3.66 2.80 1 171 THR -0.41 -0.41 1 177 ALA 4.03 2.66 1 183 ASN 5.66 4.32 1 184 TRP 5.23 4.12 1 185 MET 4.10 3.14 1 186 THR 5.28 3.06 1 187 GLU 2.15 1.59 1 188 THR 5.84 3.46 1 189 LEU 3.36 2.65 1 190 LEU 3.91 3.00 1 191 VAL 3.74 2.55 1 192 GLN -0.02 -0.77 1 193 ASN -0.30 -0.82 1 194 ALA 2.82 0.09 1 195 ASN 3.40 2.58 1 197 ASP 5.48 4.60 1 199 LYS 5.68 4.71 1 200 THR 4.06 3.21 1 201 ILE 3.31 2.20 1 202 LEU 5.03 3.61 1 203 LYS 1.78 0.79 1 204 ALA 1.24 1.22 1 205 LEU -0.79 -0.36 1 209 ALA -2.28 -1.82 1 210 THR 5.12 3.08 1 211 LEU 4.13 3.22 1 212 GLU 5.63 4.26 1 214 MET 3.67 3.18 1 215 MET 5.35 4.07 1 216 THR 2.76 2.26 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30035_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.26 _LACS_plot.Line_1_terminator_val_y_1 2.80 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.24 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.35 _LACS_plot.Line_2_terminator_val_x_2 7.15 _LACS_plot.Line_2_terminator_val_y_2 -1.80 _LACS_plot.Y_axis_chem_shift_offset 0.25 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 158 LYS -4.02 2.99 0 152 ASP 1.15 -3.35 0 108 THR -7.26 2.84 0 14 ALA -0.43 -0.33 1 15 ILE 0.99 -0.28 1 16 SER -1.24 0.34 1 18 ARG 4.19 -1.23 1 19 THR 6.27 -1.73 1 20 LEU 4.98 -2.19 1 21 ASN 3.01 -0.57 1 22 ALA 3.32 -1.13 1 23 TRP 0.96 -0.25 1 24 VAL 5.64 -1.46 1 25 LYS 6.00 -3.74 1 26 VAL 5.43 -2.03 1 27 VAL 4.62 -1.18 1 28 GLU 2.18 -0.14 1 29 GLU 1.08 0.41 1 32 PHE -0.80 -0.10 1 33 SER 1.35 -0.15 1 35 GLU 2.59 -0.32 1 36 VAL 4.52 -1.35 1 37 ILE 4.31 -2.07 1 39 MET 5.59 -1.73 1 40 PHE 5.17 -1.42 1 41 SER 1.75 -0.11 1 42 ALA 1.05 -0.50 1 43 LEU -1.06 -0.37 1 44 SER 2.15 -0.79 1 45 GLU -0.61 0.98 1 47 ALA 0.46 -0.77 1 48 THR 2.62 0.48 1 50 GLN 2.73 0.73 1 51 ASP 3.19 -0.36 1 52 LEU 3.51 -0.58 1 53 ASN 7.15 -1.86 1 54 THR 4.81 -0.19 1 55 MET 4.45 -0.85 1 56 LEU 2.25 -0.80 1 57 ASN 2.51 -0.74 1 59 VAL 3.51 0.66 1 63 GLN 3.92 -0.74 1 64 ALA 3.09 -0.81 1 65 ALA 3.74 -3.00 1 66 MET 3.01 -0.87 1 69 LEU 4.14 -1.58 1 70 LYS 6.88 -1.81 1 72 THR 5.67 -1.19 1 73 ILE 3.96 -1.37 1 74 ASN 1.95 -0.63 1 75 GLU 4.31 -3.17 1 76 GLU 3.71 -1.66 1 77 ALA 3.35 -1.45 1 78 ALA 2.97 -1.00 1 79 GLU 6.41 -1.99 1 80 TRP 5.83 -3.85 1 81 ASP 3.46 -0.64 1 82 ARG -0.21 0.08 1 83 LEU 0.88 -1.42 1 84 HIS -0.17 0.00 1 86 VAL -0.39 -0.02 1 88 ALA 0.25 -0.22 1 92 ALA -0.16 0.15 1 98 GLU -3.01 -0.10 1 100 ARG 4.41 -2.08 1 102 SER 2.20 0.16 1 103 ASP 6.65 -2.17 1 104 ILE -1.45 -0.70 1 105 ALA 3.07 -1.14 1 107 THR -0.46 -0.65 1 109 SER -3.92 1.29 1 110 THR 4.54 -1.84 1 111 LEU 5.42 -1.73 1 112 GLN 4.48 -2.96 1 113 GLU 3.86 0.32 1 114 GLN 4.70 -0.36 1 115 ILE 6.69 -2.23 1 117 TRP 2.09 1.92 1 118 MET -1.02 -0.03 1 119 THR 2.37 -0.24 1 120 HIS -3.45 1.04 1 121 ASN 1.06 -0.68 1 124 ILE 5.53 -2.23 1 126 VAL 2.31 -0.78 1 128 GLU 4.83 -0.93 1 129 ILE -0.86 -1.17 1 130 TYR 0.62 0.24 1 133 TRP 4.62 -0.67 1 134 ILE 6.40 -1.34 1 135 ILE 4.53 -1.09 1 136 LEU 3.19 -0.47 1 138 LEU 5.45 -0.30 1 139 ASN -2.82 0.63 1 148 THR -2.07 0.95 1 149 SER 0.21 -1.45 1 150 ILE 4.15 -1.35 1 151 LEU -1.11 0.82 1 153 ILE -4.16 2.04 1 154 ARG 2.13 -2.34 1 155 GLN -1.32 -0.96 1 159 GLU 4.85 -0.23 1 161 PHE 3.93 -1.19 1 163 ASP 4.51 0.03 1 168 PHE 6.48 -0.91 1 169 TYR 3.66 -0.86 1 171 THR -0.41 0.00 1 177 ALA 4.03 -1.37 1 183 ASN 5.66 -1.34 1 184 TRP 5.23 -1.11 1 185 MET 4.10 -0.96 1 186 THR 5.28 -2.22 1 187 GLU 2.15 -0.56 1 188 THR 5.84 -2.38 1 189 LEU 3.36 -0.71 1 190 LEU 3.91 -0.91 1 191 VAL 3.74 -1.19 1 192 GLN -0.02 -0.75 1 193 ASN -0.30 -0.52 1 194 ALA 2.82 -2.73 1 195 ASN 3.40 -0.82 1 197 ASP 5.48 -0.88 1 199 LYS 5.68 -0.97 1 200 THR 4.06 -0.85 1 201 ILE 3.31 -1.11 1 202 LEU 5.03 -1.42 1 203 LYS 1.78 -0.99 1 204 ALA 1.24 -0.02 1 205 LEU -0.79 0.43 1 209 ALA -2.28 0.46 1 210 THR 5.12 -2.04 1 211 LEU 4.13 -0.91 1 212 GLU 5.63 -1.37 1 214 MET 3.67 -0.49 1 215 MET 5.35 -1.28 1 216 THR 2.76 -0.50 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30035_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.26 _LACS_plot.Line_1_terminator_val_y_1 -1.64 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.01 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.16 _LACS_plot.Line_2_terminator_val_x_2 7.15 _LACS_plot.Line_2_terminator_val_y_2 2.44 _LACS_plot.Y_axis_chem_shift_offset -0.42 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 103 ASP 6.65 -3.95 0 14 ALA -0.43 0.05 1 15 ILE 0.99 -2.55 1 16 SER -1.24 1.35 1 18 ARG 4.19 2.65 1 19 THR 6.27 0.75 1 20 LEU 4.98 0.45 1 21 ASN 3.01 2.05 1 22 ALA 3.32 2.05 1 23 TRP 0.96 -0.75 1 24 VAL 5.64 2.35 1 25 LYS 6.00 1.65 1 26 VAL 5.43 0.85 1 27 VAL 4.62 2.75 1 28 GLU 2.18 1.25 1 29 GLU 1.08 2.05 1 32 PHE -0.80 0.95 1 33 SER 1.35 0.75 1 35 GLU 2.59 2.45 1 36 VAL 4.52 0.15 1 37 ILE 4.31 0.35 1 39 MET 5.59 2.75 1 40 PHE 5.17 1.15 1 41 SER 1.75 2.45 1 42 ALA 1.05 -1.75 1 43 LEU -1.06 0.15 1 44 SER 2.15 1.45 1 45 GLU -0.61 0.35 1 47 ALA 0.46 1.15 1 48 THR 2.62 1.45 1 50 GLN 2.73 3.25 1 51 ASP 3.19 0.75 1 52 LEU 3.51 2.65 1 53 ASN 7.15 1.55 1 54 THR 4.81 3.15 1 55 MET 4.45 0.45 1 56 LEU 2.25 1.55 1 57 ASN 2.51 0.25 1 59 VAL 3.51 2.85 1 63 GLN 3.92 0.75 1 64 ALA 3.09 1.65 1 65 ALA 3.74 2.75 1 66 MET 3.01 3.65 1 69 LEU 4.14 1.75 1 70 LYS 6.88 1.75 1 72 THR 5.67 0.25 1 73 ILE 3.96 2.75 1 74 ASN 1.95 1.35 1 75 GLU 4.31 2.65 1 76 GLU 3.71 0.75 1 77 ALA 3.35 3.45 1 78 ALA 2.97 1.45 1 79 GLU 5.83 1.35 1 81 ASP 3.46 1.35 1 82 ARG -0.21 -1.65 1 83 LEU 0.88 -2.05 1 84 HIS -0.17 -0.35 1 86 VAL -0.39 -0.45 1 88 ALA 0.25 -1.05 1 92 ALA -0.16 -0.65 1 98 GLU -3.01 2.25 1 100 ARG 4.41 2.05 1 102 SER 2.20 3.35 1 104 ILE -1.45 -0.75 1 105 ALA 3.07 2.25 1 107 THR -0.46 -1.65 1 108 THR -7.26 -0.75 1 109 SER -3.92 0.85 1 110 THR 4.54 0.65 1 111 LEU 5.42 3.55 1 112 GLN 4.48 2.55 1 113 GLU 4.70 3.05 1 115 ILE 6.69 2.55 1 117 TRP 2.09 0.95 1 118 MET -1.02 -1.25 1 119 THR 2.37 -1.75 1 120 HIS -3.45 -1.25 1 121 ASN 1.06 1.05 1 124 ILE 5.53 0.15 1 126 VAL 2.31 2.65 1 128 GLU 4.83 -0.55 1 129 ILE -0.86 2.25 1 130 TYR 0.62 1.95 1 133 TRP 4.62 1.55 1 134 ILE 6.40 1.15 1 135 ILE 4.53 3.25 1 136 LEU 3.19 0.75 1 138 LEU 5.45 4.45 1 139 ASN -2.82 1.35 1 148 THR -2.07 -0.05 1 149 SER 0.21 1.95 1 150 ILE 4.15 1.75 1 151 LEU -1.11 -0.55 1 152 ASP 1.15 -2.85 1 153 ILE -4.16 -1.25 1 154 ARG 2.13 0.85 1 155 GLN -1.32 -1.45 1 158 LYS -4.02 -0.55 1 159 GLU 4.85 1.15 1 161 PHE 3.93 1.95 1 163 ASP 4.51 1.05 1 168 PHE 6.48 3.25 1 169 TYR -0.41 -0.45 1 177 ALA 4.03 2.15 1 183 ASN 5.66 3.15 1 184 TRP 5.23 3.25 1 185 MET 4.10 3.55 1 186 THR 5.28 1.75 1 187 GLU 2.15 -0.65 1 188 THR 5.84 0.45 1 189 LEU 3.36 1.75 1 190 LEU 3.91 0.45 1 191 VAL 3.74 1.05 1 192 GLN -0.02 -0.05 1 193 ASN -0.30 -2.55 1 194 ALA 2.82 -0.35 1 195 ASN 3.40 2.55 1 197 ASP 5.48 0.95 1 199 LYS 5.68 1.35 1 200 THR 4.06 1.85 1 201 ILE 3.31 0.45 1 202 LEU 5.03 1.75 1 203 LYS 1.78 0.35 1 204 ALA 1.24 1.15 1 205 LEU -0.79 -0.25 1 209 ALA -2.28 0.45 1 210 THR 5.12 1.75 1 211 LEU 4.13 2.75 1 212 GLU 5.63 2.75 1 214 MET 3.67 2.85 1 215 MET 5.35 1.25 1 216 THR 2.76 1.05 1 stop_ save_