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 bmr16841_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.49 _LACS_plot.Line_1_terminator_val_y_1 -2.62 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.09 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.76 _LACS_plot.Line_2_terminator_val_x_2 5.22 _LACS_plot.Line_2_terminator_val_y_2 3.30 _LACS_plot.Y_axis_chem_shift_offset -0.29 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 92 GLN 3.73 0.65 0 153 LYS -2.35 -2.93 0 184 HIS -0.06 2.54 0 152 GLN 4.04 0.68 0 88 TYR 4.38 4.01 0 149 ASP 5.22 4.13 0 10 VAL 2.13 0.73 1 11 VAL -1.14 -1.02 1 12 TYR -4.91 -0.92 1 13 SER -1.45 -0.34 1 14 VAL 4.64 3.09 1 16 MET 0.24 1.88 1 17 GLN -6.46 -1.65 1 18 TRP -2.08 -0.64 1 19 LEU -3.92 -1.85 1 20 LYS -4.95 -1.22 1 21 THR 0.02 0.12 1 22 GLN -2.34 -0.77 1 24 ASN 0.81 0.25 1 25 LYS -3.03 -0.96 1 26 GLN -1.80 -0.40 1 27 MET -4.27 -2.17 1 28 LEU -3.37 -1.58 1 30 THR -2.87 -0.98 1 32 LEU -2.21 -0.95 1 34 ASN 0.04 -0.89 1 36 VAL -0.61 0.40 1 37 SER -2.77 -1.73 1 39 GLN -5.18 -1.74 1 40 GLU 0.80 1.16 1 41 THR -1.28 -0.70 1 42 ALA -1.32 -0.52 1 43 VAL 0.12 0.05 1 44 THR 1.07 1.28 1 45 GLN -1.00 -0.09 1 46 THR -5.73 -2.83 1 47 TYR -2.84 -1.02 1 50 ASN 0.84 -0.80 1 51 SER -1.76 -0.91 1 52 ASN 2.42 0.87 1 54 GLU 2.67 1.96 1 57 VAL 2.07 1.35 1 58 LEU -5.59 -2.80 1 60 PHE -4.62 -2.08 1 61 THR -2.74 -1.32 1 62 TYR -3.05 -0.61 1 63 ASN 2.09 0.25 1 65 ARG -3.57 -1.31 1 66 THR 0.60 0.64 1 67 PHE -1.43 0.03 1 68 TYR -0.18 0.51 1 69 SER -4.00 -1.80 1 71 THR -2.58 -2.48 1 72 THR -0.54 -0.26 1 73 GLU 1.67 2.00 1 76 GLN 0.65 0.51 1 77 ASP -1.12 -1.01 1 79 HIS 0.74 1.73 1 80 LEU -3.16 -0.53 1 81 TRP -5.26 -1.45 1 84 THR 2.20 0.04 1 85 THR -3.98 -1.97 1 86 SER 2.49 2.53 1 87 ASN -1.62 -1.80 1 89 GLU 3.81 3.39 1 90 GLN 0.38 1.84 1 91 ASP 1.81 2.25 1 93 LYS -2.00 -1.58 1 94 TYR -6.49 -1.97 1 95 SER -5.30 -1.17 1 96 PHE 0.00 -1.67 1 98 THR 1.09 1.08 1 99 ASP -0.81 0.19 1 100 HIS -0.98 0.98 1 101 THR 0.60 0.64 1 102 VAL 1.14 0.39 1 103 LEU -1.81 -1.35 1 104 VAL -0.83 -0.29 1 105 GLN 0.32 1.10 1 106 THR -3.92 -0.69 1 107 ARG -4.67 -1.81 1 110 ASN -1.18 -2.02 1 111 SER -0.23 0.71 1 112 ASN 2.09 1.31 1 114 ALA -1.11 -0.20 1 115 LEU -0.62 -0.78 1 117 HIS -0.33 -0.39 1 118 PHE -4.83 -3.55 1 120 PHE -4.13 -2.24 1 121 LEU -2.39 -0.25 1 122 TYR -4.29 -2.51 1 123 ASN 2.64 0.14 1 124 ASN 2.02 1.99 1 125 HIS -3.52 0.00 1 126 ASN -2.57 -0.60 1 127 TYR -1.15 0.65 1 128 THR 0.05 -1.42 1 129 ASP -5.23 -2.50 1 131 THR -3.01 -2.34 1 132 SER -1.32 -0.42 1 133 GLU 1.44 1.90 1 135 ARG -2.31 -0.71 1 136 ARG 0.86 0.27 1 137 ASP -1.47 -1.07 1 138 ASN 1.72 1.25 1 139 MET 0.18 0.64 1 140 LYS -1.52 -0.49 1 141 TRP -5.53 -1.94 1 145 THR -3.09 -2.01 1 146 GLN 3.08 2.60 1 147 ASN -0.95 -1.25 1 148 TYR 3.15 2.89 1 150 ALA 0.14 0.97 1 151 ASP 2.49 2.10 1 154 PHE -6.10 -1.80 1 156 PHE 2.36 1.54 1 159 MET -2.47 -0.64 1 160 ALA -1.04 -0.36 1 161 ALA 1.77 1.69 1 162 HIS 0.48 1.81 1 163 GLU -1.06 -0.34 1 164 GLU -0.15 0.90 1 165 ILE -5.83 -2.34 1 167 THR -1.13 -0.67 1 168 THR -1.75 -0.96 1 170 GLU 0.47 0.21 1 172 VAL 1.82 0.48 1 173 MET -2.34 -0.33 1 174 TYR -4.76 -0.37 1 175 ARG -2.52 -1.41 1 176 ILE 4.24 2.54 1 178 ASP 0.42 1.33 1 179 GLN -5.36 -1.56 1 180 TRP -3.25 -1.07 1 181 ASP -2.47 -1.20 1 183 GLN -0.16 0.40 1 186 MET 2.22 1.73 1 188 HIS -1.87 0.47 1 189 MET -0.77 -1.28 1 190 MET -5.11 -1.48 1 191 ARG -3.04 -1.73 1 195 VAL 0.84 1.08 1 197 ASN 3.36 1.51 1 199 ARG -2.24 -1.29 1 201 GLU -0.74 0.76 1 203 THR -3.11 -1.74 1 205 ILE -5.03 -1.81 1 206 ALA 0.47 0.45 1 207 TYR 1.83 2.32 1 208 SER 0.76 0.51 1 209 GLN -0.46 -0.02 1 210 LEU 0.81 1.82 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16841_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.49 _LACS_plot.Line_1_terminator_val_y_1 3.87 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.91 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 1.24 _LACS_plot.Line_2_terminator_val_x_2 5.22 _LACS_plot.Line_2_terminator_val_y_2 -1.92 _LACS_plot.Y_axis_chem_shift_offset -0.29 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 92 GLN 3.73 -3.08 0 153 LYS -2.35 -0.58 0 184 HIS -0.06 2.60 0 152 GLN 4.04 -3.36 0 88 TYR 4.38 -0.37 0 149 ASP 5.22 -1.09 0 10 VAL 2.13 -1.40 1 11 VAL -1.14 0.12 1 12 TYR -4.91 3.99 1 13 SER -1.45 1.11 1 14 VAL 4.64 -1.55 1 16 MET 0.24 1.64 1 17 GLN -6.46 4.81 1 18 TRP -2.08 1.44 1 19 LEU -3.92 2.07 1 20 LYS -4.95 3.73 1 21 THR 0.02 0.10 1 22 GLN -2.34 1.57 1 24 ASN 0.81 -0.56 1 25 LYS -3.03 2.07 1 26 GLN -1.80 1.40 1 27 MET -4.27 2.10 1 28 LEU -3.37 1.79 1 30 THR -2.87 1.89 1 32 LEU -2.21 1.26 1 34 ASN 0.04 -0.93 1 36 VAL -0.61 1.01 1 37 SER -2.77 1.04 1 39 GLN -5.18 3.44 1 40 GLU 0.80 0.36 1 41 THR -1.28 0.58 1 42 ALA -1.32 0.80 1 43 VAL 0.12 -0.07 1 44 THR 1.07 0.21 1 45 GLN -1.00 0.91 1 46 THR -5.73 2.90 1 47 TYR -2.84 1.82 1 50 ASN 0.84 -1.64 1 51 SER -1.76 0.85 1 52 ASN 2.42 -1.55 1 54 GLU 2.67 -0.71 1 57 VAL 2.07 -0.72 1 58 LEU -5.59 2.79 1 60 PHE -4.62 2.54 1 61 THR -2.74 1.42 1 62 TYR -3.05 2.44 1 63 ASN 2.09 -1.84 1 65 ARG -3.57 2.26 1 66 THR 0.60 0.04 1 67 PHE -1.43 1.46 1 68 TYR -0.18 0.69 1 69 SER -4.00 2.20 1 71 THR -2.58 0.10 1 72 THR -0.54 0.28 1 73 GLU 1.67 0.33 1 76 GLN 0.65 -0.14 1 77 ASP -1.12 0.11 1 79 HIS 0.74 0.99 1 80 LEU -3.16 2.63 1 81 TRP -5.26 3.81 1 84 THR 2.20 -2.16 1 85 THR -3.98 2.01 1 86 SER 2.49 0.04 1 87 ASN -1.62 -0.18 1 89 GLU 3.81 -0.42 1 90 GLN 0.38 1.46 1 91 ASP 1.81 0.44 1 93 LYS -2.00 0.42 1 94 TYR -6.49 4.52 1 95 SER -5.30 4.13 1 96 PHE 0.00 -1.67 1 98 THR 1.09 -0.01 1 99 ASP -0.81 1.00 1 100 HIS -0.98 1.96 1 101 THR 0.60 0.04 1 102 VAL 1.14 -0.75 1 103 LEU -1.81 0.46 1 104 VAL -0.83 0.54 1 105 GLN 0.32 0.78 1 106 THR -3.92 3.23 1 107 ARG -4.67 2.86 1 110 ASN -1.18 -0.84 1 111 SER -0.23 0.94 1 112 ASN 2.09 -0.78 1 114 ALA -1.11 0.91 1 115 LEU -0.62 -0.16 1 117 HIS -0.33 -0.06 1 118 PHE -4.83 1.28 1 120 PHE -4.13 1.89 1 121 LEU -2.39 2.14 1 122 TYR -4.29 1.78 1 123 ASN 2.64 -2.50 1 124 ASN 2.02 -0.03 1 125 HIS -3.52 3.52 1 126 ASN -2.57 1.97 1 127 TYR -1.15 1.80 1 128 THR 0.05 -1.47 1 129 ASP -5.23 2.73 1 131 THR -3.01 0.67 1 132 SER -1.32 0.90 1 133 GLU 1.44 0.46 1 135 ARG -2.31 1.60 1 136 ARG 0.86 -0.59 1 137 ASP -1.47 0.40 1 138 ASN 1.72 -0.47 1 139 MET 0.18 0.46 1 140 LYS -1.52 1.03 1 141 TRP -5.53 3.59 1 145 THR -3.09 1.08 1 146 GLN 3.08 -0.48 1 147 ASN -0.95 -0.30 1 148 TYR 3.15 -0.26 1 150 ALA 0.14 0.83 1 151 ASP 2.49 -0.39 1 154 PHE -6.10 4.30 1 156 PHE 2.36 -0.82 1 159 MET -2.47 1.83 1 160 ALA -1.04 0.68 1 161 ALA 1.77 -0.08 1 162 HIS 0.48 1.33 1 163 GLU -1.06 0.72 1 164 GLU -0.15 1.05 1 165 ILE -5.83 3.49 1 167 THR -1.13 0.46 1 168 THR -1.75 0.79 1 170 GLU 0.47 -0.26 1 172 VAL 1.82 -1.34 1 173 MET -2.34 2.01 1 174 TYR -4.76 4.39 1 175 ARG -2.52 1.11 1 176 ILE 4.24 -1.70 1 178 ASP 0.42 0.91 1 179 GLN -5.36 3.80 1 180 TRP -3.25 2.18 1 181 ASP -2.47 1.27 1 183 GLN -0.16 0.56 1 186 MET 2.22 -0.49 1 188 HIS -1.87 2.34 1 189 MET -0.77 -0.51 1 190 MET -5.11 3.63 1 191 ARG -3.04 1.31 1 195 VAL 0.84 0.24 1 197 ASN 3.36 -1.85 1 199 ARG -2.24 0.95 1 201 GLU -0.74 1.50 1 203 THR -3.11 1.37 1 205 ILE -5.03 3.22 1 206 ALA 0.47 -0.02 1 207 TYR 1.83 0.49 1 208 SER 0.76 -0.25 1 209 GLN -0.46 0.44 1 210 LEU 0.81 1.01 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16841_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.49 _LACS_plot.Line_1_terminator_val_y_1 0.86 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.16 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.30 _LACS_plot.Line_2_terminator_val_x_2 5.22 _LACS_plot.Line_2_terminator_val_y_2 -0.51 _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 92 GLN 3.73 -1.60 0 129 ASP -5.23 -0.65 0 10 VAL 2.13 -0.50 1 11 VAL -1.14 0.43 1 12 TYR -4.91 0.11 1 13 SER -1.45 0.45 1 14 VAL 4.64 -0.59 1 16 MET 0.24 0.27 1 17 GLN -6.46 1.26 1 18 TRP -2.08 0.17 1 19 LEU -3.92 0.93 1 20 LYS -4.95 0.47 1 21 THR 0.02 0.56 1 22 GLN -2.34 0.30 1 24 ASN 0.81 -0.07 1 25 LYS -3.03 0.31 1 26 GLN -1.80 0.42 1 27 MET -4.27 0.49 1 28 LEU -3.37 0.32 1 30 THR -2.87 0.41 1 32 LEU -2.21 0.50 1 34 ASN 0.04 0.14 1 36 VAL -0.61 0.54 1 37 SER -2.77 0.34 1 39 GLN -5.18 0.37 1 40 GLU 0.80 0.30 1 41 THR -1.28 0.11 1 42 ALA -1.32 0.18 1 43 VAL 0.12 0.07 1 44 THR 1.07 -0.07 1 45 GLN -1.00 0.34 1 46 THR -5.73 1.33 1 47 TYR -2.84 0.26 1 50 ASN 0.84 -0.07 1 51 SER -1.76 0.03 1 52 ASN 2.42 -0.61 1 54 GLU 2.67 -0.39 1 57 VAL 2.07 -0.20 1 58 LEU -5.59 0.16 1 60 PHE -4.62 0.95 1 61 THR -2.74 1.31 1 62 TYR -3.05 0.69 1 63 ASN 2.09 -0.51 1 65 ARG -3.57 0.20 1 66 THR 0.60 0.15 1 67 PHE -1.43 -0.36 1 68 TYR -0.18 -0.27 1 69 SER -4.00 0.13 1 71 THR -2.58 0.43 1 72 THR -0.54 0.63 1 73 GLU 1.67 -0.17 1 76 GLN 0.65 0.18 1 77 ASP -1.12 -0.13 1 79 HIS 0.74 -0.29 1 80 LEU -3.16 0.06 1 81 TRP -5.26 1.19 1 84 THR 2.20 0.35 1 85 THR -3.98 0.59 1 86 SER 2.49 0.06 1 87 ASN -1.62 0.49 1 88 TYR 4.38 0.37 1 89 GLU 3.81 -0.45 1 90 GLN 0.38 -0.17 1 91 ASP 1.81 -0.18 1 93 LYS -2.00 0.71 1 94 TYR -6.49 1.22 1 95 SER -5.30 0.05 1 96 PHE 0.00 1.05 1 98 THR 1.09 0.14 1 99 ASP -0.81 -0.05 1 100 HIS -0.98 -0.02 1 101 THR 0.60 -0.14 1 102 VAL 1.14 -0.02 1 103 LEU -1.81 0.28 1 104 VAL -0.83 -0.05 1 105 GLN 0.32 -0.25 1 106 THR -3.92 0.49 1 107 ARG -4.67 0.38 1 110 ASN -1.18 0.26 1 111 SER -0.23 0.33 1 112 ASN 2.09 -0.50 1 114 ALA -1.11 0.26 1 115 LEU -0.62 0.49 1 117 HIS -0.33 -0.46 1 118 PHE -4.83 0.76 1 120 PHE -4.13 1.26 1 121 LEU -2.39 0.73 1 122 TYR -4.29 1.14 1 123 ASN 2.64 -0.51 1 124 ASN 2.02 -0.60 1 125 HIS -3.52 0.01 1 126 ASN -2.57 0.45 1 127 TYR -1.15 -0.23 1 128 THR 0.05 0.10 1 131 THR -3.01 0.51 1 132 SER -1.32 0.78 1 133 GLU 1.44 -0.11 1 135 ARG -2.31 0.24 1 136 ARG 0.86 0.18 1 137 ASP -1.47 -0.07 1 139 MET 0.18 -0.42 1 140 LYS -1.52 0.35 1 141 TRP -5.53 0.89 1 145 THR -3.09 0.04 1 146 GLN 3.08 -0.18 1 147 ASN -0.95 0.50 1 148 TYR 3.15 0.77 1 149 ASP 5.22 -0.29 1 150 ALA 0.14 -0.04 1 151 ASP 2.49 -0.18 1 152 GLN 4.04 -0.19 1 153 LYS -2.35 0.84 1 154 PHE -6.10 1.06 1 156 PHE 2.36 0.57 1 159 MET -2.47 0.09 1 160 ALA -1.04 0.01 1 161 ALA 1.77 -0.10 1 162 HIS 0.48 -0.12 1 163 GLU -1.06 -0.06 1 164 GLU -0.15 -0.08 1 165 ILE -5.83 0.80 1 167 THR -1.13 0.79 1 168 THR -1.75 -0.14 1 170 GLU 0.47 0.03 1 172 VAL 1.82 -0.45 1 173 MET -2.34 0.43 1 174 TYR -4.76 0.05 1 175 ARG -2.52 0.18 1 176 ILE 4.24 -0.61 1 178 ASP 0.42 0.12 1 179 GLN -5.36 1.26 1 180 TRP -3.25 0.16 1 181 ASP -2.47 1.03 1 183 GLN -0.16 0.33 1 184 HIS -0.06 -0.46 1 186 MET 2.22 -0.02 1 188 HIS -1.87 0.11 1 189 MET -0.77 0.52 1 190 MET -5.11 0.70 1 191 ARG -3.04 0.63 1 195 VAL 0.84 0.27 1 197 ASN 3.36 -0.22 1 199 ARG -2.24 0.42 1 201 GLU -0.74 -0.45 1 203 THR -3.11 1.25 1 205 ILE -5.03 0.34 1 206 ALA 0.47 0.40 1 207 TYR 1.83 -0.22 1 209 GLN -0.46 0.06 1 210 LEU 0.81 -0.21 1 stop_ save_