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 bmr26977_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.90 _LACS_plot.Line_1_terminator_val_y_1 -3.38 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.32 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.88 _LACS_plot.Line_2_terminator_val_x_2 6.74 _LACS_plot.Line_2_terminator_val_y_2 4.01 _LACS_plot.Y_axis_chem_shift_offset 0.69 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 46 TYR -9.90 -0.14 0 10 LEU -3.57 -0.30 1 11 ILE -2.65 -1.71 1 12 LYS -7.38 -4.44 1 13 ARG -0.90 -1.39 1 14 MET 1.90 1.28 1 16 GLU -1.33 -0.71 1 17 ASN -0.99 -0.75 1 18 VAL -2.86 -1.50 1 19 LEU -2.55 -1.32 1 20 LEU -0.93 -1.55 1 21 GLU -4.82 -1.44 1 24 GLN -0.75 -1.88 1 25 ASP -0.46 -1.83 1 27 SER 3.12 0.14 1 30 THR 1.60 -0.12 1 31 MET -6.73 -1.06 1 32 TYR -5.65 -1.79 1 33 TRP -4.46 -0.45 1 34 TYR -5.77 -1.27 1 35 ARG -2.78 -1.88 1 36 GLN -3.14 -1.53 1 37 ASP -4.88 -3.04 1 40 LEU -1.51 -1.01 1 42 LEU 0.39 -1.23 1 43 GLN -4.37 -1.41 1 44 LEU 1.22 -0.02 1 45 ILE 2.53 2.59 1 47 ILE -5.45 -2.10 1 48 SER -2.99 -3.14 1 49 TYR 1.27 1.39 1 50 ASP -2.23 -2.71 1 51 VAL 3.28 1.46 1 52 ASP 3.25 1.74 1 53 SER -0.60 -2.56 1 54 ASN -3.42 -1.58 1 55 SER -2.41 -1.07 1 56 GLU 1.29 1.19 1 58 ASP 1.93 2.33 1 59 ILE -0.71 -0.72 1 61 LYS 4.07 2.29 1 63 TYR -4.45 -1.63 1 64 ARG -3.23 -1.33 1 65 VAL -6.79 -4.27 1 66 SER -1.11 -1.06 1 71 GLU 2.42 1.26 1 72 HIS -6.54 -0.29 1 73 PHE -5.69 -4.45 1 74 SER -1.21 -0.80 1 75 LEU 0.10 -1.90 1 76 ILE -2.81 -1.18 1 77 LEU 1.30 -1.10 1 78 ASP 2.19 2.14 1 79 SER 0.43 -2.50 1 80 ALA 1.53 0.56 1 81 LYS -3.80 -2.61 1 82 THR 6.29 3.60 1 84 GLN 1.60 -0.03 1 85 THR 1.92 2.08 1 86 SER 3.19 -0.52 1 87 VAL -0.02 -1.10 1 88 TYR -3.41 -1.64 1 89 PHE -2.88 0.26 1 91 ALA -6.07 -2.90 1 92 SER -3.11 -0.54 1 93 SER -3.09 -0.46 1 94 LEU 0.09 -1.36 1 100 PHE -0.70 -0.69 1 101 PHE -2.55 -0.33 1 103 LYS 1.30 0.78 1 106 ARG 1.39 -0.83 1 107 LEU -4.19 -2.70 1 108 THR 1.60 0.58 1 109 VAL -1.30 -2.58 1 110 VAL -4.60 -4.07 1 111 GLU 2.94 2.18 1 112 ASP -3.04 -1.53 1 113 LEU 3.08 1.68 1 114 ARG 3.96 1.72 1 115 ASN 1.10 1.15 1 116 VAL 4.76 1.80 1 117 THR -3.72 -1.10 1 120 LYS 0.76 -0.71 1 122 SER -3.23 -1.15 1 123 LEU -3.52 -1.85 1 124 PHE -0.50 -0.64 1 125 GLU 0.80 0.12 1 127 SER -0.53 -1.67 1 128 LYS 4.71 3.07 1 130 GLU 4.09 2.11 1 131 ILE 4.68 3.85 1 132 ALA 2.97 1.95 1 133 ASN 1.46 1.69 1 134 LYS -1.31 -1.10 1 135 GLN 6.75 1.85 1 136 LYS -6.76 -1.90 1 137 ALA -4.29 -2.72 1 138 THR 3.17 -0.13 1 139 LEU -0.81 -0.01 1 140 VAL -3.25 -1.85 1 142 LEU -5.34 -2.19 1 143 ALA -4.99 -3.83 1 144 ARG -4.19 -0.92 1 146 PHE -5.92 -4.54 1 147 PHE -0.58 1.81 1 150 HIS -2.57 -2.90 1 151 VAL -6.29 -4.12 1 152 GLU -5.28 -1.92 1 153 LEU -2.81 -0.41 1 154 SER -4.05 -1.66 1 155 TRP -3.83 -1.32 1 156 TRP -2.67 -2.52 1 157 VAL -1.85 -2.23 1 158 ASN 3.95 1.34 1 160 LYS -3.35 -2.17 1 161 GLU 1.34 -0.64 1 162 VAL -2.72 -1.84 1 166 VAL -4.88 -2.94 1 168 THR -1.41 -1.28 1 169 ASP 1.83 2.13 1 171 GLN -3.78 -2.12 1 172 ALA -0.70 -0.64 1 173 TYR -2.28 -1.16 1 175 GLU -0.13 0.73 1 176 SER -0.53 -1.49 1 178 TYR -1.26 -2.82 1 179 SER -0.01 0.14 1 180 TYR -4.69 -1.06 1 181 ALA -6.83 -2.20 1 182 LEU -4.46 0.49 1 183 SER -7.61 -2.01 1 184 SER -2.21 -2.18 1 185 ARG -5.13 -3.07 1 186 LEU -1.69 -2.94 1 187 ARG -6.36 -2.08 1 188 VAL -6.66 -4.45 1 189 SER 0.40 -0.06 1 190 ALA 4.02 2.78 1 191 THR 4.41 2.95 1 192 PHE 2.95 3.37 1 193 TRP 1.48 1.21 1 194 HIS -0.64 -0.94 1 195 ASN -1.66 -1.96 1 197 ARG 1.50 -0.50 1 198 ASN 0.09 -1.05 1 199 HIS -5.05 0.16 1 200 PHE -3.39 -1.71 1 201 ARG -5.02 -1.48 1 203 GLN -4.66 -1.69 1 204 VAL -0.39 -1.77 1 205 GLN -1.00 -1.11 1 206 PHE -3.93 -2.73 1 207 HIS -0.17 0.30 1 209 LEU 0.07 -1.06 1 210 SER -2.24 -1.40 1 212 GLU 1.56 0.34 1 213 ASP 0.45 0.79 1 214 LYS 1.15 -0.24 1 215 TRP -6.95 -4.24 1 219 SER -0.15 -0.51 1 221 LYS -1.25 -0.93 1 223 VAL -1.71 -2.14 1 224 THR 2.68 1.40 1 225 GLN -3.54 -1.29 1 226 ASN -2.04 -1.72 1 227 ILE -1.51 -0.94 1 228 SER -4.22 -1.57 1 229 ALA -4.84 -1.43 1 230 GLU -6.93 -2.71 1 231 ALA -4.01 -0.95 1 234 ARG -1.84 -1.51 1 235 ALA 0.21 -0.34 1 236 ASP 0.22 0.76 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26977_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.90 _LACS_plot.Line_1_terminator_val_y_1 6.52 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -2.32 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.12 _LACS_plot.Line_2_terminator_val_x_2 6.74 _LACS_plot.Line_2_terminator_val_y_2 -2.73 _LACS_plot.Y_axis_chem_shift_offset 0.69 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 46 TYR -9.90 9.76 0 10 LEU -3.57 3.27 1 11 ILE -2.65 0.94 1 12 LYS -7.38 2.94 1 13 ARG -0.90 -0.49 1 14 MET 1.90 -0.62 1 16 GLU -1.33 0.62 1 17 ASN -0.99 0.24 1 18 VAL -2.86 1.36 1 19 LEU -2.55 1.23 1 20 LEU -0.93 -0.62 1 21 GLU -4.82 3.38 1 24 GLN -0.75 -1.13 1 25 ASP -0.46 -1.37 1 27 SER 3.12 -2.98 1 30 THR 1.60 -1.72 1 31 MET -6.73 5.67 1 32 TYR -5.65 3.86 1 33 TRP -4.46 4.01 1 34 TYR -5.77 4.50 1 35 ARG -2.78 0.90 1 36 GLN -3.14 1.61 1 37 ASP -4.88 1.84 1 40 LEU -1.51 0.50 1 42 LEU 0.39 -1.62 1 43 GLN -4.37 2.96 1 44 LEU 1.22 -1.24 1 45 ILE 2.53 0.06 1 47 ILE -5.45 3.35 1 48 SER -2.99 -0.15 1 49 TYR 1.27 0.12 1 50 ASP -2.23 -0.48 1 51 VAL 3.28 -1.82 1 52 ASP 3.25 -1.51 1 53 SER -0.60 -1.96 1 54 ASN -3.42 1.84 1 55 SER -2.41 1.34 1 56 GLU 1.29 -0.10 1 58 ASP 1.93 0.40 1 59 ILE -0.71 -0.01 1 61 LYS 4.07 -1.78 1 63 TYR -4.45 2.82 1 64 ARG -3.23 1.90 1 65 VAL -6.79 2.52 1 66 SER -1.11 0.05 1 71 GLU 2.42 -1.16 1 72 HIS -6.54 6.25 1 73 PHE -5.69 1.24 1 74 SER -1.21 0.41 1 75 LEU 0.10 -2.00 1 76 ILE -2.81 1.63 1 77 LEU 1.30 -2.40 1 78 ASP 2.19 -0.05 1 79 SER 0.43 -2.93 1 80 ALA 1.53 -0.97 1 81 LYS -3.80 1.19 1 82 THR 6.29 -2.69 1 84 GLN 1.60 -1.63 1 85 THR 1.92 0.16 1 86 SER 3.19 -3.71 1 87 VAL -0.02 -1.08 1 88 TYR -3.41 1.77 1 89 PHE -2.88 3.14 1 91 ALA -6.07 3.17 1 92 SER -3.11 2.57 1 93 SER -3.09 2.63 1 94 LEU 0.09 -1.45 1 100 PHE -0.70 0.01 1 101 PHE -2.55 2.22 1 103 LYS 1.30 -0.52 1 106 ARG 1.39 -2.22 1 107 LEU -4.19 1.49 1 108 THR 1.60 -1.02 1 109 VAL -1.30 -1.28 1 110 VAL -4.60 0.53 1 111 GLU 2.94 -0.76 1 112 ASP -3.04 1.51 1 113 LEU 3.08 -1.40 1 114 ARG 3.96 -2.24 1 115 ASN 1.10 0.05 1 116 VAL 4.76 -2.96 1 117 THR -3.72 2.62 1 120 LYS 0.76 -1.47 1 122 SER -3.23 2.08 1 123 LEU -3.52 1.67 1 124 PHE -0.50 -0.14 1 125 GLU 0.80 -0.68 1 127 SER -0.53 -1.14 1 128 LYS 4.71 -1.64 1 130 GLU 4.09 -1.98 1 131 ILE 4.68 -0.83 1 132 ALA 2.97 -1.02 1 133 ASN 1.46 0.23 1 134 LYS -1.31 0.21 1 135 GLN 6.75 -4.90 1 136 LYS -6.76 4.86 1 137 ALA -4.29 1.57 1 138 THR 3.17 -3.30 1 139 LEU -0.81 0.80 1 140 VAL -3.25 1.40 1 142 LEU -5.34 3.15 1 143 ALA -4.99 1.16 1 144 ARG -4.19 3.27 1 146 PHE -5.92 1.38 1 147 PHE -0.58 2.39 1 150 HIS -2.57 -0.33 1 151 VAL -6.29 2.17 1 152 GLU -5.28 3.36 1 153 LEU -2.81 2.40 1 154 SER -4.05 2.39 1 155 TRP -3.83 2.51 1 156 TRP -2.67 0.15 1 157 VAL -1.85 -0.38 1 158 ASN 3.95 -2.61 1 160 LYS -3.35 1.18 1 161 GLU 1.34 -1.98 1 162 VAL -2.72 0.88 1 166 VAL -4.88 1.94 1 168 THR -1.41 0.13 1 169 ASP 1.83 0.30 1 171 GLN -3.78 1.66 1 172 ALA -0.70 0.06 1 173 TYR -2.28 1.12 1 175 GLU -0.13 0.86 1 176 SER -0.53 -0.96 1 178 TYR -1.26 -1.56 1 179 SER -0.01 0.15 1 180 TYR -4.69 3.63 1 181 ALA -6.83 4.63 1 182 LEU -4.46 4.95 1 183 SER -7.61 5.60 1 184 SER -2.21 0.03 1 185 ARG -5.13 2.06 1 186 LEU -1.69 -1.25 1 187 ARG -6.36 4.28 1 188 VAL -6.66 2.21 1 189 SER 0.40 -0.46 1 190 ALA 4.02 -1.24 1 191 THR 4.41 -1.46 1 192 PHE 2.95 0.42 1 193 TRP 1.48 -0.27 1 194 HIS -0.64 -0.30 1 195 ASN -1.66 -0.30 1 197 ARG 1.50 -2.00 1 198 ASN 0.09 -1.14 1 199 HIS -5.05 5.21 1 200 PHE -3.39 1.68 1 201 ARG -5.02 3.54 1 203 GLN -4.66 2.97 1 204 VAL -0.39 -1.38 1 205 GLN -1.00 -0.11 1 206 PHE -3.93 1.20 1 207 HIS -0.17 0.47 1 209 LEU 0.07 -1.13 1 210 SER -2.24 0.84 1 212 GLU 1.56 -1.22 1 213 ASP 0.45 0.34 1 214 LYS 1.15 -1.39 1 215 TRP -6.95 2.71 1 219 SER -0.15 -0.36 1 221 LYS -1.25 0.32 1 223 VAL -1.71 -0.43 1 224 THR 2.68 -1.28 1 225 GLN -3.54 2.25 1 226 ASN -2.04 0.32 1 227 ILE -1.51 0.57 1 228 SER -4.22 2.65 1 229 ALA -4.84 3.41 1 230 GLU -6.93 4.22 1 231 ALA -4.01 3.06 1 234 ARG -1.84 0.33 1 235 ALA 0.21 -0.55 1 236 ASP 0.22 0.54 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26977_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -9.90 _LACS_plot.Line_1_terminator_val_y_1 -3.24 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.42 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.48 _LACS_plot.Line_2_terminator_val_x_2 6.74 _LACS_plot.Line_2_terminator_val_y_2 0.87 _LACS_plot.Y_axis_chem_shift_offset 0.92 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 185 ARG -5.13 -5.68 0 81 LYS -3.80 2.12 0 131 ILE 4.68 3.04 0 135 GLN 6.75 -0.89 0 101 PHE -2.55 2.91 0 10 LEU -3.57 -4.02 1 11 ILE -2.65 -1.25 1 12 LYS -7.38 -2.37 1 13 ARG -0.90 -0.81 1 14 MET 1.90 -0.27 1 16 GLU -1.33 -1.41 1 17 ASN -0.99 -0.20 1 18 VAL -2.86 -3.06 1 19 LEU -2.55 -3.24 1 20 LEU -0.93 -1.88 1 21 GLU -4.82 -0.83 1 24 GLN -0.75 -0.84 1 30 THR 1.60 -0.85 1 31 MET -6.73 -3.73 1 32 TYR -5.65 -0.56 1 33 TRP -4.46 -1.35 1 34 TYR -5.77 0.32 1 35 ARG -2.78 -2.52 1 36 GLN -3.14 -2.69 1 40 LEU -1.51 -0.52 1 42 LEU 0.39 -0.80 1 43 GLN -4.37 -1.27 1 44 LEU 1.22 -1.81 1 45 ILE 2.53 -0.98 1 46 TYR -9.90 -2.76 1 47 ILE -5.45 -3.91 1 48 SER -2.99 -0.57 1 49 TYR 1.27 -1.71 1 50 ASP -2.23 -1.18 1 51 VAL 3.28 0.78 1 52 ASP 3.25 -2.09 1 53 SER -0.60 -2.49 1 54 ASN -3.42 -0.19 1 55 SER -2.41 -2.31 1 56 GLU 1.29 0.15 1 58 ASP 1.93 1.04 1 63 TYR -4.45 -1.72 1 64 ARG -3.23 -3.01 1 65 VAL -6.79 -0.55 1 71 GLU 2.42 -1.62 1 72 HIS -6.54 -0.16 1 73 PHE -5.69 -1.31 1 74 SER -1.21 -2.93 1 75 LEU 0.10 -4.34 1 76 ILE -2.81 -1.24 1 77 LEU 1.30 -2.29 1 78 ASP 2.19 0.00 1 79 SER 0.43 -1.09 1 80 ALA 1.53 -0.04 1 84 GLN 1.60 0.75 1 85 THR 1.92 -1.20 1 86 SER 3.19 -0.50 1 87 VAL -0.02 -2.30 1 88 TYR -3.41 0.86 1 89 PHE -2.88 -2.64 1 91 ALA -6.07 -2.35 1 93 SER -3.09 -3.12 1 100 PHE -0.70 -1.16 1 103 LYS 1.30 0.41 1 106 ARG 1.39 -4.29 1 107 LEU -4.19 -1.95 1 108 THR 1.60 -2.58 1 109 VAL -1.30 -0.57 1 110 VAL -4.60 -0.67 1 111 GLU 2.94 -0.26 1 112 ASP -3.04 0.27 1 113 LEU 3.08 0.12 1 114 ARG 3.96 0.70 1 115 ASN 1.10 0.65 1 116 VAL 4.76 -1.46 1 120 LYS 0.76 -0.07 1 122 SER -3.23 -4.60 1 123 LEU -3.52 -4.05 1 124 PHE -0.50 -0.66 1 127 SER -0.53 2.44 1 130 GLU 4.09 2.50 1 132 ALA 2.97 1.42 1 133 ASN 1.46 1.76 1 134 LYS -1.31 -0.56 1 137 ALA -4.29 -3.33 1 138 THR 3.17 -0.91 1 139 LEU -0.81 -1.30 1 140 VAL -3.25 -2.85 1 142 LEU -5.34 -3.89 1 143 ALA -4.99 -2.05 1 144 ARG -4.19 -0.15 1 146 PHE -5.92 -1.72 1 150 HIS -2.57 -0.95 1 151 VAL -6.29 -1.47 1 152 GLU -5.28 -2.19 1 153 LEU -2.81 -1.90 1 154 SER -4.05 -3.22 1 155 TRP -3.83 -0.74 1 156 TRP -2.67 0.73 1 157 VAL -1.85 0.23 1 158 ASN 3.95 0.69 1 160 LYS -3.35 -2.47 1 161 GLU 1.34 0.22 1 166 VAL -4.88 1.49 1 168 THR -1.41 -2.13 1 171 GLN -3.78 -2.42 1 172 ALA -0.70 -1.11 1 173 TYR -2.28 -0.33 1 175 GLU -0.13 -0.08 1 178 TYR -1.26 -1.89 1 179 SER -0.01 -2.25 1 180 TYR -4.69 -3.04 1 181 ALA -6.83 -2.02 1 182 LEU -4.46 -4.70 1 183 SER -7.61 -2.46 1 184 SER -2.21 -1.74 1 186 LEU -1.69 -4.53 1 187 ARG -6.36 -1.91 1 188 VAL -6.66 -1.18 1 189 SER 0.40 0.56 1 190 ALA 4.02 0.31 1 191 THR 4.41 0.82 1 192 PHE 2.95 2.38 1 193 TRP 1.48 -2.03 1 194 HIS -0.64 0.40 1 197 ARG 1.50 0.53 1 198 ASN 0.09 -3.12 1 199 HIS -5.05 -1.06 1 200 PHE -3.39 -2.20 1 201 ARG -5.02 -2.82 1 203 GLN -4.66 -2.52 1 204 VAL -0.39 -2.12 1 205 GLN -1.00 -2.27 1 206 PHE -3.93 -3.11 1 207 HIS -0.17 0.18 1 209 LEU 0.07 -1.60 1 212 GLU 1.56 0.50 1 213 ASP 0.45 -0.48 1 214 LYS 1.15 -0.92 1 223 VAL -1.71 -0.63 1 224 THR 2.68 -0.14 1 225 GLN -3.54 -3.94 1 226 ASN -2.04 -0.61 1 227 ILE -1.51 -1.78 1 228 SER -4.22 -1.57 1 229 ALA -4.84 -2.80 1 230 GLU -6.93 -2.48 1 231 ALA -4.01 -2.98 1 234 ARG -1.84 -1.95 1 235 ALA 0.21 -1.24 1 stop_ save_