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 bmr6809_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.62 _LACS_plot.Line_1_terminator_val_y_1 -3.04 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.09 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.14 _LACS_plot.Line_2_terminator_val_x_2 6.87 _LACS_plot.Line_2_terminator_val_y_2 4.63 _LACS_plot.Y_axis_chem_shift_offset 0.59 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 132 HIS 5.60 5.88 0 16 THR 1.27 -0.04 1 17 GLU -0.05 -0.82 1 18 GLU -0.20 -0.43 1 19 GLU 1.51 0.55 1 20 ASN 1.79 0.44 1 21 LYS -3.30 -1.86 1 22 HIS -3.36 -0.50 1 23 HIS 2.41 -0.44 1 24 MET 1.18 -2.70 1 26 ILE -7.62 -4.27 1 27 ASP -3.81 0.03 1 28 VAL -2.25 -2.26 1 29 ILE -4.51 -2.17 1 30 ILE -5.85 -2.33 1 31 LYS -3.90 -1.37 1 32 VAL -1.13 -1.06 1 33 THR 1.30 -0.06 1 34 LYS 1.06 -0.04 1 35 GLN 2.47 -0.02 1 36 ASP 2.69 1.36 1 37 GLN -2.21 -0.59 1 38 THR -2.04 -1.49 1 40 THR 1.53 0.46 1 41 ASN 1.47 0.55 1 42 ASP -1.29 -2.40 1 43 LYS 3.32 -0.25 1 44 ILE -0.49 -0.95 1 46 GLN 5.07 4.00 1 47 SER -0.33 -0.16 1 48 VAL -1.94 -1.14 1 49 THR -2.39 -1.29 1 50 GLU -3.92 -2.38 1 51 ILE -2.41 -1.02 1 52 THR -0.71 -1.03 1 53 GLU -1.23 -0.77 1 54 SER -0.42 -0.63 1 55 GLU 0.19 -0.36 1 56 SER -0.30 -0.55 1 57 ASP 0.98 0.21 1 59 ASP 0.20 -0.27 1 61 GLU 0.72 -0.26 1 62 VAL 0.40 -0.56 1 63 GLU 0.16 -0.45 1 64 SER -0.37 -0.60 1 65 GLU 0.36 -0.30 1 66 ASP 0.19 -0.16 1 67 ASP 0.59 -0.20 1 68 SER 0.92 0.30 1 69 THR 0.87 0.00 1 70 SER 0.07 -0.49 1 71 VAL 0.93 -0.37 1 72 GLU -0.11 -0.51 1 73 ASP 0.52 -0.12 1 74 VAL -0.37 -1.07 1 75 ASP 1.35 0.20 1 78 THR 0.07 0.55 1 79 THR 0.00 0.17 1 80 TYR -3.15 -1.85 1 81 TYR -4.08 -1.05 1 82 SER -2.08 -2.01 1 83 ILE -1.58 -0.92 1 84 ILE 0.98 -0.72 1 88 LEU -5.60 -2.66 1 89 ARG -1.27 -1.24 1 90 MET -1.64 -0.17 1 91 ASN -2.07 -1.71 1 92 PHE -5.60 -1.96 1 94 PHE -3.09 -0.81 1 95 THR 0.12 -0.10 1 96 LYS 6.87 1.22 1 99 GLN 1.18 0.36 1 100 ILE 0.79 -2.70 1 101 LYS -3.99 -1.41 1 102 SER -1.45 -2.18 1 103 ILE -1.33 0.26 1 104 SER -3.57 -0.86 1 105 GLU -7.05 -1.82 1 106 SER -3.13 -0.60 1 107 ALA -2.83 -1.09 1 108 ASP -1.97 -0.81 1 110 ASN -0.26 -1.25 1 111 THR -1.88 -0.85 1 112 VAL -1.83 -0.82 1 113 ASN -4.82 -2.56 1 114 ALA -4.53 -1.57 1 115 ARG -4.61 -1.62 1 116 LEU -0.84 -0.48 1 117 SER -6.75 -0.90 1 118 SER 0.57 0.22 1 119 VAL -2.75 -2.31 1 120 SER 1.71 -0.15 1 123 GLN -1.98 -1.19 1 125 LYS -2.88 -3.35 1 126 ASP 1.17 0.81 1 127 SER -0.88 -1.20 1 129 ALA -1.08 -2.19 1 130 ILE -2.31 -1.89 1 131 THR -1.09 -0.24 1 133 GLU 5.18 3.43 1 134 GLU 2.78 1.95 1 135 ALA 3.91 2.78 1 136 LEU 3.29 1.82 1 137 ALA 3.52 1.47 1 138 MET 5.17 3.42 1 139 ILE 6.44 3.99 1 140 LYS 1.23 -0.40 1 141 ASP -0.01 0.77 1 143 GLU -5.64 -2.54 1 144 VAL -4.45 -3.08 1 145 SER -4.71 -2.61 1 151 SER 0.55 -0.01 1 152 GLU -0.15 -1.73 1 153 GLU 0.78 0.33 1 154 GLU -1.53 -1.22 1 155 LYS 2.63 0.13 1 156 ASP 0.75 0.29 1 157 SER 1.77 2.43 1 158 ASP -0.42 -1.83 1 159 ILE -1.01 -0.93 1 160 LYS -1.00 -3.51 1 161 THR 1.60 -0.70 1 162 HIS 0.10 -0.87 1 164 VAL 3.22 0.77 1 165 LEU -0.41 -1.05 1 167 SER -0.68 0.20 1 168 ASN 2.26 1.55 1 169 ILE 0.90 -0.34 1 170 SER -3.51 -2.66 1 171 HIS 3.62 2.78 1 172 LYS 0.51 -1.10 1 173 LYS 4.06 2.02 1 174 VAL -1.70 -2.64 1 175 SER 2.17 1.51 1 176 TYR 1.02 1.04 1 177 GLU -5.40 -2.66 1 178 ASP -0.12 -0.95 1 179 ILE -1.76 0.78 1 180 ILE 1.17 0.34 1 192 ASN -5.59 -2.35 1 193 LEU -3.12 -0.05 1 194 GLU -5.10 -0.83 1 195 PHE -5.83 -2.35 1 196 SER 0.76 -1.39 1 197 VAL -3.46 -2.45 1 198 ARG -7.04 -3.58 1 199 ILE -1.79 -1.34 1 201 ASP -1.70 -0.42 1 202 MET 1.38 2.86 1 204 LYS -0.34 -0.65 1 205 GLU 1.30 0.61 1 206 SER -1.43 -1.27 1 207 SER 4.02 2.92 1 208 GLU 2.22 1.11 1 209 LEU -1.00 -1.85 1 210 GLU -1.41 -2.90 1 211 VAL -7.10 -3.58 1 212 LYS -5.81 -1.62 1 213 ASP -6.50 -2.67 1 215 PHE -4.82 -1.27 1 216 LYS -2.97 -1.37 1 221 SER -0.65 -1.11 1 222 ALA 0.48 -0.04 1 223 SER -1.93 -0.60 1 224 LYS -1.19 -0.38 1 226 ALA -0.61 -1.56 1 227 THR -3.09 -2.45 1 228 ASP -0.10 -0.40 1 229 ASP -1.58 -0.22 1 230 THR 4.98 3.97 1 231 SER -0.42 -1.50 1 232 LEU 3.80 3.08 1 233 ILE -5.38 -3.22 1 234 ASP -0.51 -2.60 1 235 SER 4.71 2.96 1 236 THR 3.77 2.15 1 237 LYS -0.34 -1.39 1 238 LEU 1.37 0.36 1 239 LYS -3.39 -2.83 1 240 ALA 1.37 0.42 1 242 VAL -0.96 0.03 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6809_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.62 _LACS_plot.Line_1_terminator_val_y_1 4.58 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.91 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.14 _LACS_plot.Line_2_terminator_val_x_2 6.87 _LACS_plot.Line_2_terminator_val_y_2 -2.24 _LACS_plot.Y_axis_chem_shift_offset 0.59 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 132 HIS 5.60 0.28 0 16 THR 1.27 -1.31 1 17 GLU -0.05 -0.77 1 18 GLU -0.20 -0.23 1 19 GLU 1.51 -0.96 1 20 ASN 1.79 -1.35 1 21 LYS -3.30 1.44 1 22 HIS -3.36 2.86 1 23 HIS 2.41 -2.85 1 24 MET 1.18 -3.88 1 26 ILE -7.62 3.35 1 27 ASP -3.81 3.84 1 28 VAL -2.25 -0.01 1 29 ILE -4.51 2.34 1 30 ILE -5.85 3.52 1 31 LYS -3.90 2.53 1 32 VAL -1.13 0.07 1 33 THR 1.30 -1.36 1 34 LYS 1.06 -1.10 1 35 GLN 2.47 -2.49 1 36 ASP 2.69 -1.33 1 37 GLN -2.21 1.62 1 38 THR -2.04 0.55 1 40 THR 1.53 -1.07 1 41 ASN 1.47 -0.92 1 42 ASP -1.29 -1.11 1 43 LYS 3.32 -3.57 1 44 ILE -0.49 -0.46 1 46 GLN 5.07 -1.07 1 47 SER -0.33 0.17 1 48 VAL -1.94 0.80 1 49 THR -2.39 1.10 1 50 GLU -3.92 1.54 1 51 ILE -2.41 1.39 1 52 THR -0.71 -0.32 1 53 GLU -1.23 0.46 1 54 SER -0.42 -0.21 1 55 GLU 0.19 -0.55 1 56 SER -0.30 -0.25 1 57 ASP 0.98 -0.77 1 59 ASP 0.20 -0.47 1 61 GLU 0.72 -0.98 1 62 VAL 0.40 -0.96 1 63 GLU 0.16 -0.61 1 64 SER -0.37 -0.23 1 65 GLU 0.36 -0.66 1 66 ASP 0.19 -0.35 1 67 ASP 0.59 -0.79 1 68 SER 0.92 -0.62 1 69 THR 0.87 -0.87 1 70 SER 0.07 -0.56 1 71 VAL 0.93 -1.30 1 72 GLU -0.11 -0.40 1 73 ASP 0.52 -0.64 1 74 VAL -0.37 -0.70 1 75 ASP 1.35 -1.15 1 78 THR 0.07 0.48 1 79 THR 0.00 0.17 1 80 TYR -3.15 1.30 1 81 TYR -4.08 3.03 1 82 SER -2.08 0.07 1 83 ILE -1.58 0.66 1 84 ILE 0.98 -1.70 1 88 LEU -5.60 2.94 1 89 ARG -1.27 0.03 1 90 MET -1.64 1.47 1 91 ASN -2.07 0.36 1 92 PHE -5.60 3.64 1 94 PHE -3.09 2.28 1 95 THR 0.12 -0.22 1 96 LYS 6.87 -5.65 1 99 GLN 1.18 -0.82 1 100 ILE 0.79 -3.49 1 101 LYS -3.99 2.58 1 102 SER -1.45 -0.73 1 103 ILE -1.33 1.59 1 104 SER -3.57 2.71 1 105 GLU -7.05 5.23 1 106 SER -3.13 2.53 1 107 ALA -2.83 1.74 1 108 ASP -1.97 1.16 1 110 ASN -0.26 -0.99 1 111 THR -1.88 1.03 1 112 VAL -1.83 1.01 1 113 ASN -4.82 2.26 1 114 ALA -4.53 2.96 1 115 ARG -4.61 2.99 1 116 LEU -0.84 0.36 1 117 SER -6.75 5.85 1 118 SER 0.57 -0.35 1 119 VAL -2.75 0.44 1 120 SER 1.71 -1.86 1 123 GLN -1.98 0.79 1 125 LYS -2.88 -0.47 1 126 ASP 1.17 -0.36 1 127 SER -0.88 -0.32 1 129 ALA -1.08 -1.11 1 130 ILE -2.31 0.42 1 131 THR -1.09 0.85 1 133 GLU 5.18 -1.75 1 134 GLU 2.78 -0.83 1 135 ALA 3.91 -1.13 1 136 LEU 3.29 -1.47 1 137 ALA 3.52 -2.05 1 138 MET 5.17 -1.75 1 139 ILE 6.44 -2.45 1 140 LYS 1.23 -1.63 1 141 ASP -0.01 0.78 1 143 GLU -5.64 3.10 1 144 VAL -4.45 1.37 1 145 SER -4.71 2.10 1 151 SER 0.55 -0.56 1 152 GLU -0.15 -1.58 1 153 GLU 0.78 -0.45 1 154 GLU -1.53 0.31 1 155 LYS 2.63 -2.50 1 156 ASP 0.75 -0.46 1 157 SER 1.77 0.66 1 158 ASP -0.42 -1.41 1 159 ILE -1.01 0.08 1 160 LYS -1.00 -2.51 1 161 THR 1.60 -2.30 1 162 HIS 0.10 -0.97 1 164 VAL 3.22 -2.45 1 165 LEU -0.41 -0.64 1 167 SER -0.68 0.88 1 168 ASN 2.26 -0.71 1 169 ILE 0.90 -1.24 1 170 SER -3.51 0.85 1 171 HIS 3.62 -0.84 1 172 LYS 0.51 -1.61 1 173 LYS 4.06 -2.04 1 174 VAL -1.70 -0.94 1 175 SER 2.17 -0.66 1 176 TYR 1.02 0.02 1 177 GLU -5.40 2.74 1 178 ASP -0.12 -0.83 1 179 ILE -1.76 2.54 1 180 ILE 1.17 -0.83 1 192 ASN -5.59 3.24 1 193 LEU -3.12 3.07 1 194 GLU -5.10 4.27 1 195 PHE -5.83 3.48 1 196 SER 0.76 -2.15 1 197 VAL -3.46 1.01 1 198 ARG -7.04 3.46 1 199 ILE -1.79 0.45 1 201 ASP -1.70 1.28 1 202 MET 1.38 1.48 1 204 LYS -0.34 -0.31 1 205 GLU 1.30 -0.69 1 206 SER -1.43 0.16 1 207 SER 4.02 -1.10 1 208 GLU 2.22 -1.11 1 209 LEU -1.00 -0.85 1 210 GLU -1.41 -1.49 1 211 VAL -7.10 3.52 1 212 LYS -5.81 4.19 1 213 ASP -6.50 3.83 1 215 PHE -4.82 3.55 1 216 LYS -2.97 1.60 1 221 SER -0.65 -0.46 1 222 ALA 0.48 -0.52 1 223 SER -1.93 1.33 1 224 LYS -1.19 0.81 1 226 ALA -0.61 -0.95 1 227 THR -3.09 0.64 1 228 ASP -0.10 -0.30 1 229 ASP -1.58 1.36 1 230 THR 4.98 -1.01 1 231 SER -0.42 -1.08 1 232 LEU 3.80 -0.72 1 233 ILE -5.38 2.16 1 234 ASP -0.51 -2.09 1 235 SER 4.71 -1.75 1 236 THR 3.77 -1.62 1 237 LYS -0.34 -1.05 1 238 LEU 1.37 -1.01 1 239 LYS -3.39 0.56 1 240 ALA 1.37 -0.95 1 242 VAL -0.96 0.99 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6809_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.62 _LACS_plot.Line_1_terminator_val_y_1 -2.64 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.13 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.06 _LACS_plot.Line_2_terminator_val_x_2 6.87 _LACS_plot.Line_2_terminator_val_y_2 0.70 _LACS_plot.Y_axis_chem_shift_offset 0.65 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 96 LYS 6.87 -2.50 0 99 GLN 1.18 5.20 0 24 MET 1.18 -6.50 0 16 THR 1.27 1.80 1 17 GLU -0.05 -0.20 1 18 GLU -0.20 -0.10 1 19 GLU 1.51 -2.70 1 20 ASN 1.79 0.10 1 21 LYS -3.30 -1.40 1 22 HIS -3.36 0.40 1 23 HIS 2.41 2.50 1 26 ILE -7.62 -2.70 1 27 ASP -3.81 -1.90 1 28 VAL -2.25 -2.50 1 29 ILE -4.51 -5.30 1 30 ILE -5.85 -0.10 1 31 LYS -3.90 -2.40 1 32 VAL -1.13 -1.50 1 33 THR 1.30 1.60 1 34 LYS 1.06 0.00 1 35 GLN 2.47 -0.50 1 36 ASP 2.69 -2.10 1 40 THR 1.53 -1.70 1 42 ASP -1.29 0.40 1 43 LYS 3.32 -0.10 1 44 ILE -0.49 -0.70 1 46 GLN 5.07 -3.20 1 47 SER -0.33 0.90 1 48 VAL -1.94 -4.10 1 49 THR -2.39 0.50 1 50 GLU -3.92 -1.70 1 51 ILE -2.41 -2.00 1 52 THR -0.71 1.00 1 53 GLU -1.23 -2.20 1 55 GLU 0.19 -3.60 1 61 GLU 0.72 -0.60 1 62 VAL 0.40 0.10 1 63 GLU 0.16 -2.00 1 64 SER -0.37 1.70 1 65 GLU 0.36 -0.60 1 66 ASP 0.19 0.40 1 67 ASP 0.59 -1.20 1 68 SER 0.92 0.10 1 69 THR 0.87 -0.10 1 70 SER 0.07 1.50 1 71 VAL 0.93 -0.30 1 72 GLU -0.11 -0.80 1 73 ASP 0.52 -0.50 1 74 VAL -0.37 0.60 1 78 THR 0.07 -2.10 1 79 THR 0.00 0.90 1 80 TYR -3.15 -0.30 1 81 TYR -4.08 -0.90 1 82 SER -2.08 2.00 1 83 ILE -1.58 -1.00 1 84 ILE 0.98 -0.40 1 88 LEU -5.60 -3.00 1 90 MET -1.64 -2.10 1 91 ASN -2.07 -0.50 1 92 PHE -5.60 -3.70 1 94 PHE -3.09 -4.20 1 95 THR 0.12 -0.20 1 100 ILE 0.79 -2.00 1 101 LYS -3.99 -2.90 1 102 SER -1.45 -0.60 1 103 ILE -1.33 -3.30 1 104 SER -3.57 0.20 1 105 GLU -7.05 -4.80 1 106 SER -3.13 1.40 1 110 ASN -0.26 -0.90 1 111 THR -1.88 -1.40 1 112 VAL -1.83 -1.80 1 113 ASN -4.82 -0.70 1 114 ALA -4.53 -2.70 1 115 ARG -4.61 -1.10 1 116 LEU -0.84 -1.50 1 117 SER -6.75 -3.30 1 118 SER 0.57 0.10 1 119 VAL -2.75 0.30 1 123 GLN -1.98 -2.10 1 126 ASP 1.17 0.30 1 129 ALA -1.08 -1.80 1 130 ILE -2.31 -0.80 1 131 THR -1.09 1.60 1 133 GLU 5.18 2.90 1 134 GLU 2.78 1.50 1 135 ALA 3.91 1.40 1 136 LEU 3.29 1.60 1 137 ALA 3.52 0.20 1 138 MET 5.17 -0.40 1 139 ILE 6.44 1.70 1 140 LYS 1.23 0.00 1 141 ASP -0.01 -2.50 1 143 GLU -5.64 -2.00 1 144 VAL -4.45 0.40 1 152 GLU -0.15 0.30 1 153 GLU 0.78 0.10 1 154 GLU -1.53 -2.00 1 155 LYS 2.63 0.30 1 156 ASP 0.75 -3.20 1 157 SER 1.77 -0.60 1 158 ASP -0.42 1.00 1 160 LYS -1.00 -1.70 1 164 VAL 3.22 1.30 1 165 LEU -0.41 -4.00 1 167 SER -0.68 -0.10 1 168 ASN 2.26 0.20 1 169 ILE 0.90 -2.80 1 171 HIS 3.62 -0.50 1 172 LYS 0.51 -0.60 1 173 LYS 4.06 -1.90 1 174 VAL -1.70 -0.30 1 175 SER 2.17 1.10 1 176 TYR 1.02 -0.30 1 177 GLU -5.40 0.70 1 179 ILE -1.76 0.80 1 193 LEU -3.12 -3.90 1 195 PHE -5.83 -3.00 1 196 SER 0.76 -1.80 1 197 VAL -3.46 -1.40 1 198 ARG -7.04 -2.00 1 199 ILE -1.79 -5.60 1 201 ASP -1.70 0.10 1 202 MET 1.38 -1.80 1 204 LYS -0.34 0.70 1 205 GLU 1.30 -1.20 1 207 SER 4.02 1.30 1 208 GLU 2.22 -3.20 1 209 LEU -1.00 -0.60 1 210 GLU -1.41 0.80 1 211 VAL -7.10 -2.90 1 212 LYS -5.81 -1.10 1 213 ASP -6.50 -5.50 1 216 LYS -2.97 -2.20 1 222 ALA 0.48 -4.60 1 223 SER -1.93 2.40 1 224 LYS -1.19 -4.40 1 226 ALA -0.61 -5.00 1 228 ASP -0.10 0.50 1 229 ASP -1.58 -1.90 1 231 SER -0.42 2.60 1 235 SER 4.71 1.50 1 236 THR 3.77 1.90 1 237 LYS -0.34 -0.20 1 238 LEU 1.37 -2.50 1 239 LYS -3.39 0.20 1 240 ALA 1.37 -2.50 1 stop_ save_