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 bmr50011_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.09 _LACS_plot.Line_1_terminator_val_y_1 -2.74 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.62 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.31 _LACS_plot.Line_2_terminator_val_x_2 7.67 _LACS_plot.Line_2_terminator_val_y_2 5.59 _LACS_plot.Y_axis_chem_shift_offset -0.07 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 72 ALA -8.04 -8.17 0 10 LYS 0.53 0.93 1 12 GLU 3.40 3.10 1 13 GLU 2.26 1.93 1 14 LEU 1.67 0.84 1 15 PHE 0.25 0.46 1 16 THR 3.28 2.52 1 18 VAL 1.89 0.84 1 21 ILE -5.47 -1.76 1 22 LEU -5.33 -1.18 1 23 VAL -4.75 -2.01 1 24 GLU -4.99 -0.89 1 25 LEU -4.15 -1.06 1 26 ASP -2.32 -0.11 1 28 ASP -3.29 -0.61 1 29 VAL -3.19 -1.58 1 30 ASN 3.04 1.44 1 32 HIS -0.12 0.42 1 33 LYS -0.68 -0.28 1 34 PHE -3.97 -1.75 1 35 SER -3.06 -0.62 1 36 VAL -6.39 -1.97 1 37 ARG -4.74 -1.65 1 39 GLU -6.54 -2.19 1 41 GLU -4.95 -1.38 1 44 ALA 0.83 2.09 1 45 THR 6.27 4.98 1 46 ASN -1.79 0.06 1 48 LYS -5.36 -1.13 1 49 LEU -3.62 -0.50 1 50 THR -2.27 -1.41 1 51 LEU -9.09 -1.03 1 52 LYS -2.37 -0.96 1 53 PHE -5.50 -1.71 1 54 ILE -5.28 -1.86 1 56 THR 3.74 1.89 1 57 THR 0.32 -0.28 1 59 LYS -0.80 -0.75 1 66 THR 2.92 2.18 1 67 LEU -1.95 -1.01 1 68 VAL 7.67 6.59 1 69 THR 4.89 3.19 1 70 THR 6.64 5.34 1 71 LEU 1.84 1.78 1 75 VAL -1.63 -2.70 1 76 LEU 4.23 1.34 1 79 SER 0.03 0.68 1 80 ARG 0.16 -0.33 1 83 ASP 0.64 1.74 1 84 HIS 2.42 3.07 1 85 MET -1.49 -0.88 1 86 LYS 5.03 4.46 1 87 ARG 3.32 1.21 1 88 HIS -2.23 0.07 1 89 ASP 0.63 -2.04 1 90 PHE 1.97 2.68 1 91 PHE 3.78 2.00 1 92 LYS 3.65 3.45 1 93 SER 3.33 2.60 1 94 ALA -0.52 -0.35 1 97 GLU 6.04 5.22 1 99 TYR -5.47 -2.61 1 100 VAL -1.88 -1.29 1 101 GLN -5.31 -0.57 1 102 GLU -5.43 -1.31 1 103 ARG -4.70 -0.49 1 104 THR -0.09 1.30 1 105 ILE -1.84 -1.18 1 106 SER -1.23 -1.51 1 107 PHE 1.60 0.33 1 108 LYS 2.55 2.35 1 109 ASP 3.29 2.21 1 110 ASP -3.19 -0.38 1 112 THR -5.07 -0.92 1 113 TYR -5.78 -4.56 1 114 LYS -1.34 -0.43 1 115 THR -3.76 -2.33 1 116 ARG -0.91 1.05 1 117 ALA -8.91 -2.75 1 118 GLU -3.28 -0.81 1 119 VAL -0.60 -1.70 1 120 LYS -3.47 -1.15 1 121 PHE 0.80 1.75 1 122 GLU -1.02 -0.64 1 124 ASP -0.38 0.16 1 125 THR -1.29 0.66 1 126 LEU -1.17 -2.41 1 127 VAL -3.66 -2.05 1 128 ASN -4.29 -2.09 1 129 ARG -0.47 0.37 1 130 ILE -4.87 0.20 1 131 GLU -4.13 -1.13 1 132 LEU -4.99 -0.77 1 133 LYS -3.84 -1.33 1 135 ILE -4.98 -0.98 1 136 ASP 4.22 1.63 1 137 PHE 1.84 1.76 1 139 GLU 3.96 3.32 1 140 ASP -0.59 -1.63 1 142 ASN 2.60 2.46 1 143 ILE 4.94 2.45 1 144 LEU 3.98 1.55 1 146 HIS 3.80 3.35 1 147 LYS -1.01 -1.18 1 148 LEU -0.44 -0.99 1 150 TYR 2.29 -0.31 1 160 THR -5.27 -2.77 1 161 ALA -1.28 -0.05 1 164 GLN 3.60 2.81 1 165 LYS -0.95 -1.14 1 166 ASN 1.73 1.19 1 168 ILE -7.03 -3.05 1 169 LYS -4.75 -1.09 1 176 HIS -1.58 -0.38 1 177 ASN 2.53 1.95 1 178 VAL 0.43 -0.60 1 179 GLU 2.94 2.86 1 180 ASP -0.10 -0.61 1 182 SER -0.65 0.16 1 183 VAL -3.64 -0.92 1 184 GLN -4.65 -2.77 1 185 LEU -1.32 0.18 1 186 ALA -4.06 -1.48 1 187 ASP 0.34 1.44 1 188 HIS -0.68 0.49 1 189 TYR -1.55 -0.32 1 190 GLN -6.44 -1.82 1 191 GLN -4.70 -0.65 1 192 ASN -3.24 -0.50 1 195 ILE 2.95 3.21 1 197 ASP -0.90 -0.31 1 200 VAL -4.58 -2.34 1 201 LEU 0.18 -1.07 1 204 ASP -0.75 -0.21 1 205 ASN 2.11 0.99 1 206 HIS 1.18 1.15 1 208 LEU -2.20 -1.78 1 209 SER -2.29 -1.39 1 212 SER -3.12 0.40 1 213 LYS -3.28 -0.72 1 214 LEU -0.80 -0.47 1 219 ASN -0.54 0.06 1 221 LYS 0.60 0.53 1 222 ARG 0.68 0.58 1 224 HIS -2.73 1.67 1 225 MET -4.87 -0.47 1 226 VAL 2.12 0.50 1 227 LEU -7.52 -1.69 1 228 LEU -3.93 -1.41 1 229 GLU -6.57 -2.48 1 230 PHE -4.17 -1.72 1 231 VAL -3.12 -0.89 1 232 THR -3.67 -1.71 1 233 ALA -1.53 -1.00 1 234 ALA -3.30 -0.52 1 241 ASP 0.87 0.89 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr50011_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.09 _LACS_plot.Line_1_terminator_val_y_1 6.35 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.38 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.69 _LACS_plot.Line_2_terminator_val_x_2 7.67 _LACS_plot.Line_2_terminator_val_y_2 -2.08 _LACS_plot.Y_axis_chem_shift_offset -0.07 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 72 ALA -8.04 -0.13 0 10 LYS 0.53 0.40 1 12 GLU 3.40 -0.30 1 13 GLU 2.26 -0.33 1 14 LEU 1.67 -0.83 1 15 PHE 0.25 0.21 1 16 THR 3.28 -0.76 1 18 VAL 1.89 -1.05 1 21 ILE -5.47 3.71 1 22 LEU -5.33 4.15 1 23 VAL -4.75 2.74 1 24 GLU -4.99 4.10 1 25 LEU -4.15 3.09 1 26 ASP -2.32 2.21 1 28 ASP -3.29 2.68 1 29 VAL -3.19 1.61 1 30 ASN 3.04 -1.60 1 32 HIS -0.12 0.54 1 33 LYS -0.68 0.40 1 34 PHE -3.97 2.22 1 35 SER -3.06 2.44 1 36 VAL -6.39 4.42 1 37 ARG -4.74 3.09 1 39 GLU -6.54 4.35 1 41 GLU -4.95 3.57 1 44 ALA 0.83 1.26 1 45 THR 6.27 -1.29 1 46 ASN -1.79 1.85 1 48 LYS -5.36 4.23 1 49 LEU -3.62 3.12 1 50 THR -2.27 0.86 1 51 LEU -9.09 8.06 1 52 LYS -2.37 1.41 1 53 PHE -5.50 3.79 1 54 ILE -5.28 3.42 1 56 THR 3.74 -1.85 1 57 THR 0.32 -0.60 1 59 LYS -0.80 0.05 1 66 THR 2.92 -0.74 1 67 LEU -1.95 0.94 1 68 VAL 7.67 -1.08 1 69 THR 4.89 -1.70 1 70 THR 6.64 -1.30 1 71 LEU 1.84 -0.06 1 75 VAL -1.63 -1.07 1 76 LEU 4.23 -2.89 1 79 SER 0.03 0.65 1 80 ARG 0.16 -0.49 1 83 ASP 0.64 1.10 1 84 HIS 2.42 0.65 1 85 MET -1.49 0.61 1 86 LYS 5.03 -0.57 1 87 ARG 3.32 -2.11 1 88 HIS -2.23 2.30 1 89 ASP 0.63 -2.67 1 90 PHE 1.97 0.71 1 91 PHE 3.78 -1.78 1 92 LYS 3.65 -0.20 1 93 SER 3.33 -0.73 1 94 ALA -0.52 0.17 1 97 GLU 6.04 -0.82 1 99 TYR -5.47 2.86 1 100 VAL -1.88 0.59 1 101 GLN -5.31 4.74 1 102 GLU -5.43 4.12 1 103 ARG -4.70 4.21 1 104 THR -0.09 1.39 1 105 ILE -1.84 0.66 1 106 SER -1.23 -0.28 1 107 PHE 1.60 -1.27 1 108 LYS 2.55 -0.20 1 109 ASP 3.29 -1.08 1 110 ASP -3.19 2.81 1 112 THR -5.07 4.15 1 113 TYR -5.78 1.22 1 114 LYS -1.34 0.91 1 115 THR -3.76 1.43 1 116 ARG -0.91 1.96 1 117 ALA -8.91 6.16 1 118 GLU -3.28 2.47 1 119 VAL -0.60 -1.10 1 120 LYS -3.47 2.32 1 121 PHE 0.80 0.95 1 122 GLU -1.02 0.38 1 124 ASP -0.38 0.54 1 125 THR -1.29 1.95 1 126 LEU -1.17 -1.24 1 127 VAL -3.66 1.61 1 128 ASN -4.29 2.20 1 129 ARG -0.47 0.84 1 130 ILE -4.87 5.07 1 131 GLU -4.13 3.00 1 132 LEU -4.99 4.22 1 133 LYS -3.84 2.51 1 135 ILE -4.98 4.00 1 136 ASP 4.22 -2.59 1 137 PHE 1.84 -0.08 1 139 GLU 3.96 -0.64 1 140 ASP -0.59 -1.04 1 142 ASN 2.60 -0.14 1 143 ILE 4.94 -2.49 1 144 LEU 3.98 -2.43 1 146 HIS 3.80 -0.45 1 147 LYS -1.01 -0.17 1 148 LEU -0.44 -0.55 1 150 TYR 2.29 -2.60 1 160 THR -5.27 2.50 1 161 ALA -1.28 1.23 1 164 GLN 3.60 -0.79 1 165 LYS -0.95 -0.19 1 166 ASN 1.73 -0.54 1 168 ILE -7.03 3.98 1 169 LYS -4.75 3.66 1 176 HIS -1.58 1.20 1 177 ASN 2.53 -0.58 1 178 VAL 0.43 -1.03 1 179 GLU 2.94 -0.08 1 180 ASP -0.10 -0.51 1 182 SER -0.65 0.81 1 183 VAL -3.64 2.72 1 184 GLN -4.65 1.88 1 185 LEU -1.32 1.50 1 186 ALA -4.06 2.58 1 187 ASP 0.34 1.10 1 188 HIS -0.68 1.17 1 189 TYR -1.55 1.23 1 190 GLN -6.44 4.62 1 191 GLN -4.70 4.05 1 192 ASN -3.24 2.74 1 195 ILE 2.95 0.26 1 197 ASP -0.90 0.59 1 200 VAL -4.58 2.24 1 201 LEU 0.18 -1.25 1 204 ASP -0.75 0.54 1 205 ASN 2.11 -1.12 1 206 HIS 1.18 -0.03 1 208 LEU -2.20 0.42 1 209 SER -2.29 0.90 1 212 SER -3.12 3.52 1 213 LYS -3.28 2.56 1 214 LEU -0.80 0.33 1 219 ASN -0.54 0.60 1 221 LYS 0.60 -0.07 1 222 ARG 0.68 -0.10 1 224 HIS -2.73 4.40 1 225 MET -4.87 4.40 1 226 VAL 2.12 -1.62 1 227 LEU -7.52 5.83 1 228 LEU -3.93 2.52 1 229 GLU -6.57 4.09 1 230 PHE -4.17 2.45 1 231 VAL -3.12 2.23 1 232 THR -3.67 1.96 1 233 ALA -1.53 0.53 1 234 ALA -3.30 2.78 1 241 ASP 0.87 0.02 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr50011_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -9.09 _LACS_plot.Line_1_terminator_val_y_1 -2.63 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.08 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.89 _LACS_plot.Line_2_terminator_val_x_2 7.67 _LACS_plot.Line_2_terminator_val_y_2 1.17 _LACS_plot.Y_axis_chem_shift_offset 0.44 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 51 LEU -9.09 -3.95 0 224 HIS -2.73 -4.44 0 227 LEU -7.52 -4.61 0 150 TYR 2.29 -3.27 0 68 VAL 7.67 -0.19 0 69 THR 4.89 3.44 0 10 LYS 0.53 1.44 1 12 GLU 3.40 2.52 1 13 GLU 2.26 1.16 1 14 LEU 1.67 -0.28 1 15 PHE 0.25 0.33 1 16 THR 3.28 -0.36 1 18 VAL 1.89 0.51 1 21 ILE -5.47 -0.55 1 22 LEU -5.33 -3.04 1 23 VAL -4.75 -1.26 1 24 GLU -4.99 -3.03 1 25 LEU -4.15 -3.70 1 26 ASP -2.32 -1.83 1 28 ASP -3.29 -0.01 1 29 VAL -3.19 -1.31 1 30 ASN 3.04 -1.15 1 32 HIS -0.12 0.96 1 33 LYS -0.68 0.53 1 34 PHE -3.97 -3.22 1 35 SER -3.06 -1.35 1 36 VAL -6.39 -1.83 1 37 ARG -4.74 -0.43 1 39 GLU -6.54 -0.63 1 41 GLU -4.95 -2.36 1 44 ALA 0.83 2.05 1 45 THR 6.27 0.57 1 46 ASN -1.79 -0.23 1 48 LYS -5.36 -1.98 1 49 LEU -3.62 -2.91 1 50 THR -2.27 -0.95 1 52 LYS -2.37 -1.71 1 53 PHE -5.50 -1.18 1 54 ILE -5.28 -0.07 1 56 THR 3.74 1.38 1 57 THR 0.32 -0.50 1 59 LYS -0.80 0.92 1 66 THR 2.92 0.00 1 67 LEU -1.95 -0.69 1 70 THR 6.64 -0.10 1 71 LEU 1.84 -1.58 1 72 ALA -8.04 -1.77 1 75 VAL -1.63 -1.43 1 76 LEU 4.23 -1.39 1 79 SER 0.03 -1.35 1 80 ARG 0.16 -0.58 1 83 ASP 0.64 1.09 1 84 HIS 2.42 1.87 1 85 MET -1.49 -0.05 1 86 LYS 5.03 1.94 1 87 ARG 3.32 -2.14 1 88 HIS -2.23 -0.03 1 89 ASP 0.63 -1.07 1 90 PHE 1.97 1.12 1 91 PHE 3.78 1.44 1 92 LYS 3.65 2.41 1 93 SER 3.33 -0.25 1 94 ALA -0.52 -1.09 1 97 GLU 6.04 0.81 1 99 TYR -5.47 -2.92 1 100 VAL -1.88 1.13 1 101 GLN -5.31 -1.06 1 102 GLU -5.43 -0.82 1 103 ARG -4.70 0.59 1 104 THR -0.09 -0.71 1 105 ILE -1.84 -2.13 1 106 SER -1.23 0.19 1 107 PHE 1.60 -0.72 1 108 LYS 2.55 0.57 1 109 ASP 3.29 -2.21 1 110 ASP -3.19 0.93 1 112 THR -5.07 1.30 1 113 TYR -5.78 -0.36 1 114 LYS -1.34 0.46 1 115 THR -3.76 -1.05 1 116 ARG -0.91 -2.92 1 117 ALA -8.91 -1.56 1 118 GLU -3.28 -2.24 1 119 VAL -0.60 -1.81 1 120 LYS -3.47 -2.26 1 121 PHE 0.80 1.44 1 122 GLU -1.02 0.18 1 124 ASP -0.38 -0.92 1 125 THR -1.29 -3.22 1 126 LEU -1.17 -3.09 1 127 VAL -3.66 -2.28 1 128 ASN -4.29 -1.30 1 129 ARG -0.47 0.15 1 130 ILE -4.87 -0.83 1 131 GLU -4.13 -1.93 1 132 LEU -4.99 -3.01 1 133 LYS -3.84 -1.22 1 135 ILE -4.98 -2.79 1 136 ASP 4.22 -0.93 1 137 PHE 1.84 2.08 1 139 GLU 3.96 -1.00 1 140 ASP -0.59 0.38 1 142 ASN 2.60 0.07 1 143 ILE 4.94 0.00 1 144 LEU 3.98 0.88 1 146 HIS 3.80 1.39 1 147 LYS -1.01 -1.07 1 148 LEU -0.44 0.23 1 160 THR -5.27 -1.86 1 161 ALA -1.28 -0.88 1 164 GLN 3.60 1.30 1 165 LYS -0.95 -0.97 1 166 ASN 1.73 -2.79 1 168 ILE -7.03 -1.86 1 169 LYS -4.75 -1.80 1 176 HIS -1.58 0.59 1 177 ASN 2.53 0.09 1 178 VAL 0.43 1.17 1 179 GLU 2.94 -0.88 1 180 ASP -0.10 0.97 1 182 SER -0.65 -1.87 1 183 VAL -3.64 -1.37 1 184 GLN -4.65 -1.48 1 185 LEU -1.32 0.62 1 186 ALA -4.06 -0.56 1 187 ASP 0.34 -1.24 1 188 HIS -0.68 -0.20 1 189 TYR -1.55 -1.18 1 190 GLN -6.44 -2.82 1 191 GLN -4.70 -1.14 1 192 ASN -3.24 -1.34 1 195 ILE 2.95 1.19 1 197 ASP -0.90 1.02 1 200 VAL -4.58 -0.95 1 201 LEU 0.18 -2.66 1 204 ASP -0.75 -0.44 1 205 ASN 2.11 0.07 1 206 HIS 1.18 -3.16 1 208 LEU -2.20 -1.38 1 209 SER -2.29 0.49 1 212 SER -3.12 -1.78 1 213 LYS -3.28 -1.44 1 214 LEU -0.80 -0.84 1 219 ASN -0.54 -0.76 1 221 LYS 0.60 2.02 1 222 ARG 0.68 -0.43 1 225 MET -4.87 -1.98 1 226 VAL 2.12 -2.91 1 228 LEU -3.93 -1.63 1 229 GLU -6.57 -2.67 1 230 PHE -4.17 0.38 1 231 VAL -3.12 -1.33 1 232 THR -3.67 -2.36 1 233 ALA -1.53 -1.79 1 234 ALA -3.30 -1.62 1 241 ASP 0.87 0.43 1 stop_ save_