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 bmr26878_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.15 _LACS_plot.Line_1_terminator_val_y_1 -2.72 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.82 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.60 _LACS_plot.Line_2_terminator_val_x_2 9.65 _LACS_plot.Line_2_terminator_val_y_2 7.66 _LACS_plot.Y_axis_chem_shift_offset -0.06 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 15 ALA -5.85 0.27 0 109 LYS -8.15 -1.63 0 10 LEU -5.36 -1.88 1 11 LEU -5.50 -2.34 1 12 VAL -5.67 -3.32 1 14 LEU 2.42 0.57 1 16 ASN -2.03 -0.25 1 20 GLU 3.54 2.07 1 21 TYR -0.32 0.58 1 22 ALA 2.95 3.46 1 23 LYS 0.36 -1.11 1 24 THR -2.80 -0.49 1 25 ARG 3.40 4.61 1 26 HIS -1.57 -1.75 1 27 ASN -0.26 -0.95 1 28 ALA 2.69 2.00 1 30 ALA 3.86 3.09 1 31 TRP 0.90 0.36 1 32 VAL 4.83 3.96 1 33 VAL 6.46 5.20 1 34 GLU 3.28 3.45 1 35 GLU 3.48 2.40 1 36 LEU 3.28 3.32 1 37 ALA 5.11 3.17 1 38 ARG 4.26 3.82 1 39 ILE 3.69 3.10 1 40 HIS 1.05 1.74 1 41 ASN 3.10 1.55 1 42 VAL -1.74 -0.42 1 43 THR 0.25 -0.02 1 44 LEU 0.22 -0.29 1 45 LYS -4.54 -1.70 1 46 ASN 1.44 1.38 1 47 GLU -3.40 -0.96 1 49 LYS 3.20 1.66 1 50 PHE -3.93 -3.83 1 51 PHE 3.49 0.32 1 53 LEU -3.77 -2.01 1 54 THR -5.71 -2.93 1 56 ARG -2.16 -0.25 1 57 LEU -2.84 -1.00 1 58 LEU -2.27 -1.41 1 59 ILE -2.62 -0.97 1 60 ASN 2.83 1.67 1 61 SER 3.70 2.15 1 62 GLN -3.35 -1.58 1 63 GLU -2.67 -0.93 1 64 LEU -4.41 -1.39 1 65 ARG -0.13 -0.02 1 66 VAL -6.45 -4.42 1 67 LEU -6.83 -1.54 1 68 ILE -3.24 -0.13 1 70 THR 1.27 -1.35 1 71 THR -1.62 -0.41 1 72 PHE 5.17 4.27 1 73 MET 2.90 2.69 1 74 ASN 3.74 1.41 1 75 LEU -2.37 -1.23 1 76 SER 3.17 5.03 1 78 LYS 3.36 3.07 1 79 ALA 0.81 2.47 1 80 ILE 4.40 4.75 1 81 ALA 3.63 2.54 1 82 ALA 3.47 3.09 1 83 LEU 3.97 4.17 1 84 ALA 5.50 3.64 1 85 ASN 3.26 2.73 1 86 PHE 3.58 4.39 1 87 TYR 1.17 1.29 1 88 GLN 5.09 1.54 1 89 ILE -1.16 0.52 1 90 LYS 1.65 0.69 1 92 GLU 3.83 2.44 1 93 GLU -2.96 -2.00 1 94 ILE -1.63 -0.26 1 95 MET -5.75 -2.08 1 96 VAL -1.51 -0.89 1 97 ALA -3.42 -2.31 1 98 HIS -4.71 -1.13 1 99 ASP 0.28 -0.57 1 100 GLU -6.73 -2.97 1 101 LEU -0.25 1.90 1 102 ASP 0.99 0.77 1 103 LEU -5.37 -1.73 1 107 VAL -3.71 -1.68 1 108 ALA -5.61 -0.98 1 110 PHE -3.54 -1.01 1 111 LYS -5.33 0.02 1 112 GLN 0.14 0.19 1 116 HIS -2.90 0.12 1 119 HIS -0.57 2.85 1 120 ASP 4.54 3.02 1 122 LEU 2.41 2.84 1 123 LYS 4.85 4.64 1 124 ASP 1.38 3.97 1 125 THR 9.65 7.65 1 126 ILE 3.53 4.32 1 127 SER 3.86 3.32 1 128 LYS 3.32 1.82 1 129 LEU 1.11 -0.76 1 131 ASN 3.02 1.16 1 133 LYS -0.63 -0.53 1 134 GLU 2.42 0.32 1 135 PHE -3.15 -2.50 1 136 TYR -1.25 1.61 1 137 ARG -2.53 -1.24 1 138 LEU -0.96 -0.37 1 139 ARG -2.89 -1.52 1 140 LEU -0.41 -1.23 1 142 ILE -3.51 -0.26 1 144 HIS -4.97 -0.21 1 147 HIS -2.74 1.83 1 148 LYS 3.95 3.35 1 149 ASP 2.87 1.86 1 150 LYS -1.61 -0.37 1 151 VAL 6.76 5.97 1 152 ALA 4.80 3.33 1 154 TYR 1.80 3.48 1 155 VAL 4.75 2.94 1 156 LEU 0.61 -1.15 1 158 LYS -1.73 -1.31 1 159 ALA 0.72 0.40 1 161 ALA 4.74 4.27 1 162 LYS 4.30 2.76 1 163 GLU 1.40 2.75 1 164 GLN 3.45 2.32 1 165 GLU 3.44 3.30 1 167 LEU 3.43 3.31 1 168 ASP 4.59 3.19 1 169 ALA 3.08 2.47 1 170 ALA 4.34 2.94 1 171 VAL 6.78 5.52 1 172 ASP 4.31 3.66 1 173 GLU 3.08 1.30 1 174 SER 7.01 6.00 1 175 VAL 7.41 5.60 1 176 ARG 4.34 3.51 1 178 LEU 3.27 2.76 1 179 GLU 4.32 3.63 1 180 ILE 4.72 4.04 1 181 LEU 4.06 3.55 1 182 MET 2.40 0.51 1 183 LYS 0.69 2.52 1 184 ASP -3.00 0.69 1 186 LEU 3.50 3.31 1 187 THR 6.67 5.22 1 188 LYS 4.11 3.35 1 189 ALA 2.93 3.41 1 190 GLN 3.68 3.34 1 191 ASN 3.49 2.57 1 192 ARG 4.18 3.04 1 193 LEU 4.45 3.55 1 194 HIS 2.65 2.00 1 195 THR 0.01 0.21 1 196 PHE 1.31 1.57 1 197 LYS -1.58 0.25 1 198 ALA -1.85 -0.35 1 199 GLU -1.73 0.87 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26878_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.15 _LACS_plot.Line_1_terminator_val_y_1 5.43 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.18 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.40 _LACS_plot.Line_2_terminator_val_x_2 9.65 _LACS_plot.Line_2_terminator_val_y_2 -1.99 _LACS_plot.Y_axis_chem_shift_offset -0.06 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 15 ALA -5.85 6.12 0 109 LYS -8.15 6.52 0 10 LEU -5.36 3.48 1 11 LEU -5.50 3.16 1 12 VAL -5.67 2.35 1 14 LEU 2.42 -1.85 1 16 ASN -2.03 1.78 1 20 GLU 3.54 -1.47 1 21 TYR -0.32 0.90 1 22 ALA 2.95 0.51 1 23 LYS 0.36 -1.47 1 24 THR -2.80 2.31 1 25 ARG 3.40 1.21 1 26 HIS -1.57 -0.18 1 27 ASN -0.26 -0.69 1 28 ALA 2.69 -0.69 1 30 ALA 3.86 -0.77 1 31 TRP 0.90 -0.54 1 32 VAL 4.83 -0.87 1 33 VAL 6.46 -1.26 1 34 GLU 3.28 0.17 1 35 GLU 3.48 -1.08 1 36 LEU 3.28 0.04 1 37 ALA 5.11 -1.94 1 38 ARG 4.26 -0.44 1 39 ILE 3.69 -0.59 1 40 HIS 1.05 0.69 1 41 ASN 3.10 -1.55 1 42 VAL -1.74 1.32 1 43 THR 0.25 -0.27 1 44 LEU 0.22 -0.51 1 45 LYS -4.54 2.84 1 46 ASN 1.44 -0.06 1 47 GLU -3.40 2.44 1 49 LYS 3.20 -1.54 1 50 PHE -3.93 0.10 1 51 PHE 3.49 -3.17 1 53 LEU -3.77 1.76 1 54 THR -5.71 2.78 1 56 ARG -2.16 1.91 1 57 LEU -2.84 1.84 1 58 LEU -2.27 0.86 1 59 ILE -2.62 1.65 1 60 ASN 2.83 -1.16 1 61 SER 3.70 -1.55 1 62 GLN -3.35 1.77 1 63 GLU -2.67 1.74 1 64 LEU -4.41 3.02 1 65 ARG -0.13 0.11 1 66 VAL -6.45 2.03 1 67 LEU -6.83 5.29 1 68 ILE -3.24 3.11 1 70 THR 1.27 -2.62 1 71 THR -1.62 1.21 1 72 PHE 5.17 -0.90 1 73 MET 2.90 -0.21 1 74 ASN 3.74 -2.33 1 75 LEU -2.37 1.14 1 76 SER 3.17 1.86 1 78 LYS 3.36 -0.29 1 79 ALA 0.81 1.66 1 80 ILE 4.40 0.35 1 81 ALA 3.63 -1.09 1 82 ALA 3.47 -0.38 1 83 LEU 3.97 0.20 1 84 ALA 5.50 -1.86 1 85 ASN 3.26 -0.53 1 86 PHE 3.58 0.81 1 87 TYR 1.17 0.12 1 88 GLN 5.09 -3.55 1 89 ILE -1.16 1.68 1 90 LYS 1.65 -0.96 1 92 GLU 3.83 -1.39 1 93 GLU -2.96 0.96 1 94 ILE -1.63 1.37 1 95 MET -5.75 3.67 1 96 VAL -1.51 0.62 1 97 ALA -3.42 1.11 1 98 HIS -4.71 3.58 1 99 ASP 0.28 -0.85 1 100 GLU -6.73 3.76 1 101 LEU -0.25 2.15 1 102 ASP 0.99 -0.22 1 103 LEU -5.37 3.64 1 107 VAL -3.71 2.03 1 108 ALA -5.61 4.63 1 110 PHE -3.54 2.53 1 111 LYS -5.33 5.35 1 112 GLN 0.14 0.05 1 116 HIS -2.90 3.02 1 119 HIS -0.57 3.42 1 120 ASP 4.54 -1.52 1 122 LEU 2.41 0.43 1 123 LYS 4.85 -0.21 1 124 ASP 1.38 2.59 1 125 THR 9.65 -2.00 1 126 ILE 3.53 0.79 1 127 SER 3.86 -0.54 1 128 LYS 3.32 -1.50 1 129 LEU 1.11 -1.87 1 131 ASN 3.02 -1.86 1 133 LYS -0.63 0.10 1 134 GLU 2.42 -2.10 1 135 PHE -3.15 0.65 1 136 TYR -1.25 2.86 1 137 ARG -2.53 1.29 1 138 LEU -0.96 0.59 1 139 ARG -2.89 1.37 1 140 LEU -0.41 -0.82 1 142 ILE -3.51 3.25 1 144 HIS -4.97 4.76 1 147 HIS -2.74 4.57 1 148 LYS 3.95 -0.60 1 149 ASP 2.87 -1.01 1 150 LYS -1.61 1.24 1 151 VAL 6.76 -0.79 1 152 ALA 4.80 -1.47 1 154 TYR 1.80 1.68 1 155 VAL 4.75 -1.81 1 156 LEU 0.61 -1.76 1 158 LYS -1.73 0.42 1 159 ALA 0.72 -0.32 1 161 ALA 4.74 -0.47 1 162 LYS 4.30 -1.54 1 163 GLU 1.40 1.35 1 164 GLN 3.45 -1.13 1 165 GLU 3.44 -0.14 1 167 LEU 3.43 -0.12 1 168 ASP 4.59 -1.40 1 169 ALA 3.08 -0.61 1 170 ALA 4.34 -1.40 1 171 VAL 6.78 -1.26 1 172 ASP 4.31 -0.65 1 173 GLU 3.08 -1.78 1 174 SER 7.01 -1.01 1 175 VAL 7.41 -1.81 1 176 ARG 4.34 -0.83 1 178 LEU 3.27 -0.51 1 179 GLU 4.32 -0.69 1 180 ILE 4.72 -0.68 1 181 LEU 4.06 -0.51 1 182 MET 2.40 -1.89 1 183 LYS 0.69 1.83 1 184 ASP -3.00 3.69 1 186 LEU 3.50 -0.19 1 187 THR 6.67 -1.45 1 188 LYS 4.11 -0.76 1 189 ALA 2.93 0.48 1 190 GLN 3.68 -0.34 1 191 ASN 3.49 -0.92 1 192 ARG 4.18 -1.14 1 193 LEU 4.45 -0.90 1 194 HIS 2.65 -0.65 1 195 THR 0.01 0.20 1 196 PHE 1.31 0.26 1 197 LYS -1.58 1.83 1 198 ALA -1.85 1.50 1 199 GLU -1.73 2.60 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26878_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.15 _LACS_plot.Line_1_terminator_val_y_1 -3.03 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.75 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.75 _LACS_plot.Line_2_terminator_val_x_2 9.65 _LACS_plot.Line_2_terminator_val_y_2 3.25 _LACS_plot.Y_axis_chem_shift_offset 0.03 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 116 HIS -2.90 3.76 0 125 THR 9.65 0.00 0 10 LEU -5.36 -5.92 0 144 HIS -4.97 3.04 0 11 LEU -5.50 -4.07 1 12 VAL -5.67 -1.82 1 14 LEU 2.42 -0.83 1 15 ALA -5.85 -0.70 1 20 GLU 3.54 1.21 1 21 TYR -0.32 1.81 1 22 ALA 2.95 0.39 1 23 LYS 0.36 -0.06 1 24 THR -2.80 0.58 1 25 ARG 3.40 0.94 1 26 HIS -1.57 -1.15 1 27 ASN -0.26 0.03 1 28 ALA 2.69 0.63 1 30 ALA 3.86 1.48 1 31 TRP 0.90 3.98 1 32 VAL 4.83 0.24 1 33 VAL 6.46 0.76 1 34 GLU 3.28 3.12 1 35 GLU 3.48 1.00 1 36 LEU 3.28 0.83 1 37 ALA 5.11 1.15 1 38 ARG 4.26 5.09 1 39 ILE 3.69 0.99 1 40 HIS 1.05 -0.97 1 41 ASN 3.10 -1.05 1 42 VAL -1.74 -0.94 1 43 THR 0.25 -0.58 1 44 LEU 0.22 -1.68 1 45 LYS -4.54 -0.98 1 46 ASN 1.44 -0.48 1 49 LYS 3.20 -1.54 1 50 PHE -3.93 -2.99 1 51 PHE 3.49 -0.50 1 53 LEU -3.77 -0.32 1 54 THR -5.71 -0.97 1 56 ARG -2.16 -3.53 1 57 LEU -2.84 -3.59 1 58 LEU -2.27 -1.09 1 59 ILE -2.62 -0.77 1 60 ASN 2.83 -0.22 1 61 SER 3.70 -1.90 1 62 GLN -3.35 -1.69 1 63 GLU -2.67 -1.67 1 64 LEU -4.41 -2.18 1 65 ARG -0.13 -1.30 1 66 VAL -6.45 -1.95 1 67 LEU -6.83 -3.01 1 70 THR 1.27 -0.22 1 71 THR -1.62 1.74 1 72 PHE 5.17 3.37 1 73 MET 2.90 2.80 1 74 ASN 3.74 -1.92 1 75 LEU -2.37 0.26 1 76 SER 3.17 1.19 1 78 LYS 3.36 2.35 1 79 ALA 0.81 -0.34 1 80 ILE 4.40 0.66 1 81 ALA 3.63 1.66 1 82 ALA 3.47 2.97 1 83 LEU 3.97 1.28 1 84 ALA 5.50 2.47 1 85 ASN 3.26 2.99 1 86 PHE 3.58 1.22 1 87 TYR 1.17 -2.04 1 88 GLN 5.09 -1.32 1 89 ILE -1.16 -0.80 1 92 GLU 3.83 -0.36 1 93 GLU -2.96 -1.25 1 94 ILE -1.63 -2.69 1 95 MET -5.75 -2.69 1 96 VAL -1.51 -1.71 1 97 ALA -3.42 -2.01 1 98 HIS -4.71 -2.42 1 99 ASP 0.28 1.38 1 100 GLU -6.73 -1.67 1 101 LEU -0.25 0.53 1 102 ASP 0.99 -1.13 1 107 VAL -3.71 -1.53 1 108 ALA -5.61 -2.85 1 109 LYS -8.15 -0.34 1 110 PHE -3.54 2.13 1 111 LYS -5.33 -3.45 1 112 GLN 0.14 -0.76 1 119 HIS -0.57 2.38 1 120 ASP 4.54 2.98 1 122 LEU 2.41 1.13 1 123 LYS 4.85 2.24 1 124 ASP 1.38 1.81 1 126 ILE 3.53 2.55 1 127 SER 3.86 4.06 1 128 LYS 3.32 1.62 1 129 LEU 1.11 -1.06 1 133 LYS -0.63 1.99 1 134 GLU 2.42 -1.28 1 135 PHE -3.15 1.98 1 136 TYR -1.25 0.32 1 137 ARG -2.53 -1.78 1 138 LEU -0.96 -4.47 1 139 ARG -2.89 -2.29 1 140 LEU -0.41 -1.66 1 142 ILE -3.51 2.31 1 148 LYS 3.95 1.84 1 149 ASP 2.87 0.94 1 150 LYS -1.61 0.79 1 151 VAL 6.76 0.07 1 152 ALA 4.80 2.22 1 154 TYR 1.80 3.89 1 155 VAL 4.75 -0.51 1 156 LEU 0.61 -2.54 1 158 LYS -1.73 -0.12 1 161 ALA 4.74 2.02 1 162 LYS 4.30 2.52 1 163 GLU 1.40 2.11 1 164 GLN 3.45 1.31 1 165 GLU 3.44 3.59 1 167 LEU 3.43 1.43 1 168 ASP 4.59 2.73 1 169 ALA 3.08 2.82 1 170 ALA 4.34 3.22 1 171 VAL 6.78 1.14 1 172 ASP 4.31 2.61 1 173 GLU 3.08 2.57 1 174 SER 7.01 1.32 1 175 VAL 7.41 1.96 1 176 ARG 4.34 4.64 1 178 LEU 3.27 0.85 1 179 GLU 4.32 2.64 1 180 ILE 4.72 1.38 1 181 LEU 4.06 0.53 1 182 MET 2.40 0.07 1 183 LYS 0.69 -0.12 1 184 ASP -3.00 1.12 1 186 LEU 3.50 0.11 1 187 THR 6.67 1.82 1 188 LYS 4.11 2.73 1 189 ALA 2.93 1.08 1 190 GLN 3.68 0.86 1 191 ASN 3.49 2.26 1 192 ARG 4.18 2.13 1 193 LEU 4.45 1.77 1 194 HIS 2.65 3.06 1 195 THR 0.01 -0.65 1 196 PHE 1.31 -0.16 1 197 LYS -1.58 -2.57 1 198 ALA -1.85 -2.18 1 stop_ save_