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 bmr17773_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.71 _LACS_plot.Line_1_terminator_val_y_1 -3.40 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.49 _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 8.68 _LACS_plot.Line_2_terminator_val_y_2 5.87 _LACS_plot.Y_axis_chem_shift_offset 0.42 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 163 MET -6.71 -1.60 0 10 GLU -0.08 -0.55 1 11 PHE 0.26 -0.51 1 16 ASN 1.41 0.48 1 18 LYS -1.38 -0.84 1 19 SER -1.75 -1.17 1 20 GLU 7.50 4.99 1 21 VAL 4.77 3.65 1 23 ILE 5.20 3.67 1 24 LEU 5.52 2.93 1 25 HIS 4.60 5.39 1 26 GLU 3.99 2.71 1 27 TYR 4.30 3.70 1 28 MET 7.11 4.19 1 29 GLN 4.11 2.92 1 30 ARG 3.06 2.20 1 31 VAL 3.66 2.02 1 32 LEU 1.51 0.66 1 33 LYS -0.29 0.34 1 34 VAL -4.51 -2.85 1 35 ARG -1.42 -1.55 1 37 VAL -0.46 -0.78 1 38 TYR -1.23 -0.55 1 39 ASN -3.65 -1.64 1 40 PHE -1.92 -0.67 1 41 PHE -2.87 -2.33 1 42 GLU -1.83 -1.33 1 44 GLU 1.64 0.13 1 45 ASN -0.68 -0.80 1 47 SER 1.85 1.13 1 48 GLU -1.77 -1.17 1 50 PHE 0.11 -0.12 1 52 ALA -5.24 -2.28 1 53 SER -3.99 -1.77 1 54 VAL -0.85 -1.50 1 55 THR -3.58 -2.62 1 56 ILE 0.27 -0.31 1 57 ASP 2.35 1.21 1 59 VAL -1.93 -1.17 1 60 THR 3.15 2.13 1 61 TYR 0.27 -0.78 1 63 SER -3.74 -1.54 1 65 THR -4.38 -3.14 1 66 ALA -5.37 -1.25 1 67 SER 1.92 1.15 1 68 SER -4.62 -2.32 1 69 LYS 5.42 3.82 1 70 LYS 4.75 3.10 1 71 LEU 3.15 1.86 1 72 ALA 5.68 3.02 1 73 LYS 5.37 3.89 1 74 ASN 4.27 3.70 1 75 LYS 4.26 3.52 1 76 ALA 4.23 2.38 1 77 ALA 4.66 2.65 1 78 ARG 5.52 3.47 1 79 ALA 2.91 1.69 1 80 THR 6.73 6.09 1 81 LEU 5.60 3.29 1 82 GLU 2.91 1.87 1 83 ILE 3.68 3.25 1 84 LEU 1.63 1.94 1 85 ILE -0.01 -0.76 1 87 ASP 2.00 0.20 1 88 PHE 3.06 2.51 1 89 VAL 2.16 0.49 1 90 LYS 1.54 0.31 1 91 GLN 0.93 0.18 1 92 THR -0.09 -0.43 1 93 SER 0.44 -0.06 1 94 GLU 0.42 -0.16 1 95 GLU -0.15 -0.63 1 96 LYS 0.64 -0.47 1 98 LYS 1.57 0.16 1 99 ASP 0.66 0.04 1 100 SER 1.09 0.37 1 101 GLU 1.94 0.92 1 102 GLU 2.61 1.56 1 103 LEU 1.81 -0.07 1 104 GLU 4.01 2.29 1 105 TYR 4.05 1.84 1 106 PHE 6.06 3.49 1 107 ASN 3.23 0.77 1 108 HIS -1.29 -0.78 1 109 ILE -2.71 -2.60 1 110 SER 0.93 0.28 1 111 ILE 6.88 4.32 1 112 GLU 0.01 -0.49 1 113 ASP -0.34 1.24 1 115 ARG 1.60 0.79 1 116 VAL 8.68 6.50 1 117 TYR 3.01 1.10 1 118 GLU 4.08 2.38 1 119 LEU 3.48 2.46 1 120 THR 5.84 3.97 1 121 SER 4.99 3.07 1 122 LYS 3.97 2.35 1 123 ALA -0.57 -0.83 1 125 LEU -3.15 -2.59 1 126 LEU 2.94 2.15 1 129 TYR 3.66 3.32 1 130 GLN 3.69 2.96 1 131 ILE 6.31 1.52 1 132 LEU 5.62 2.84 1 133 HIS 5.74 5.67 1 134 GLU 3.39 1.81 1 136 LEU 4.59 2.06 1 137 LYS 3.53 2.15 1 138 ARG 1.43 0.99 1 139 ASN -0.79 -0.30 1 142 MET 1.08 0.32 1 144 ASP 0.74 0.02 1 145 THR 0.60 -0.68 1 146 SER 0.61 0.17 1 147 ILE -0.62 -0.46 1 148 LYS -1.34 -1.27 1 149 PHE -3.57 -1.44 1 150 GLU -5.45 -2.50 1 151 VAL -2.89 -2.37 1 152 VAL -1.59 -1.33 1 155 LYS 0.75 -0.16 1 158 LYS -1.11 -0.71 1 159 SER -0.73 -0.05 1 160 GLU -3.76 -2.39 1 161 TYR -5.87 -3.33 1 162 VAL -2.97 -1.67 1 164 ALA -5.08 -2.58 1 167 LYS 2.34 0.00 1 168 HIS -2.78 0.65 1 169 THR -0.95 -0.21 1 170 VAL -5.38 -3.76 1 171 ARG -5.25 -2.40 1 173 TRP -3.33 -1.86 1 178 ARG 5.27 3.10 1 179 VAL 4.46 2.60 1 181 LYS 4.79 2.70 1 182 GLN 5.07 0.82 1 183 LEU 4.05 2.11 1 184 ALA 2.46 1.88 1 186 GLN 4.27 4.46 1 187 LYS 4.59 3.54 1 188 ILE 6.03 1.65 1 189 LEU 4.50 3.28 1 190 GLN 3.44 2.13 1 191 LEU 4.65 2.07 1 192 LEU 0.36 0.11 1 193 HIS 0.16 -1.69 1 196 VAL 1.28 -0.37 1 197 LYS -0.85 -0.52 1 201 SER 4.70 4.20 1 203 LEU 4.34 2.04 1 204 ARG 4.02 2.57 1 205 MET 2.29 2.88 1 206 TYR -1.85 -0.57 1 208 ARG 1.00 0.07 1 209 GLU 0.63 -0.23 1 210 SER 0.49 0.06 1 211 SER 1.06 -0.05 1 212 LYS 0.82 -0.34 1 213 MET 0.77 -0.16 1 214 VAL 1.29 0.91 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17773_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.71 _LACS_plot.Line_1_terminator_val_y_1 3.31 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.51 _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 8.68 _LACS_plot.Line_2_terminator_val_y_2 -2.81 _LACS_plot.Y_axis_chem_shift_offset 0.42 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 163 MET -6.71 5.11 0 10 GLU -0.08 -0.47 1 11 PHE 0.26 -0.77 1 16 ASN 1.41 -0.93 1 18 LYS -1.38 0.54 1 19 SER -1.75 0.58 1 20 GLU 7.50 -2.51 1 21 VAL 4.77 -1.12 1 23 ILE 5.20 -1.53 1 24 LEU 5.52 -2.59 1 25 HIS 4.60 0.79 1 26 GLU 3.99 -1.28 1 27 TYR 4.30 -0.60 1 28 MET 7.11 -2.92 1 29 GLN 4.11 -1.19 1 30 ARG 3.06 -0.86 1 31 VAL 3.66 -1.64 1 32 LEU 1.51 -0.85 1 33 LYS -0.29 0.63 1 34 VAL -4.51 1.66 1 35 ARG -1.42 -0.13 1 37 VAL -0.46 -0.32 1 38 TYR -1.23 0.68 1 39 ASN -3.65 2.01 1 40 PHE -1.92 1.25 1 41 PHE -2.87 0.54 1 42 GLU -1.83 0.50 1 44 GLU 1.64 -1.51 1 45 ASN -0.68 -0.12 1 47 SER 1.85 -0.72 1 48 GLU -1.77 0.60 1 50 PHE 0.11 -0.23 1 52 ALA -5.24 2.96 1 53 SER -3.99 2.22 1 54 VAL -0.85 -0.65 1 55 THR -3.58 0.96 1 56 ILE 0.27 -0.58 1 57 ASP 2.35 -1.14 1 59 VAL -1.93 0.76 1 60 THR 3.15 -1.02 1 61 TYR 0.27 -1.05 1 63 SER -3.74 2.20 1 65 THR -4.38 1.24 1 66 ALA -5.37 4.12 1 67 SER 1.92 -0.77 1 68 SER -4.62 2.30 1 69 LYS 5.42 -1.60 1 70 LYS 4.75 -1.65 1 71 LEU 3.15 -1.29 1 72 ALA 5.68 -2.66 1 73 LYS 5.37 -1.48 1 74 ASN 4.27 -0.57 1 75 LYS 4.26 -0.74 1 76 ALA 4.23 -1.85 1 77 ALA 4.66 -2.01 1 78 ARG 5.52 -2.05 1 79 ALA 2.91 -1.22 1 80 THR 6.73 -0.64 1 81 LEU 5.60 -2.31 1 82 GLU 2.91 -1.04 1 83 ILE 3.68 -0.43 1 84 LEU 1.63 0.31 1 85 ILE -0.01 -0.75 1 87 ASP 2.00 -1.80 1 88 PHE 3.06 -0.55 1 89 VAL 2.16 -1.67 1 90 LYS 1.54 -1.23 1 91 GLN 0.93 -0.75 1 92 THR -0.09 -0.34 1 93 SER 0.44 -0.50 1 94 GLU 0.42 -0.58 1 95 GLU -0.15 -0.48 1 96 LYS 0.64 -1.11 1 98 LYS 1.57 -1.41 1 99 ASP 0.66 -0.62 1 100 SER 1.09 -0.72 1 101 GLU 1.94 -1.02 1 102 GLU 2.61 -1.05 1 103 LEU 1.81 -1.88 1 104 GLU 4.01 -1.72 1 105 TYR 4.05 -2.21 1 106 PHE 6.06 -2.57 1 107 ASN 3.23 -2.46 1 108 HIS -1.29 0.51 1 109 ILE -2.71 0.11 1 110 SER 0.93 -0.65 1 111 ILE 6.88 -2.56 1 112 GLU 0.01 -0.50 1 113 ASP -0.34 1.58 1 115 ARG 1.60 -0.81 1 116 VAL 8.68 -2.18 1 117 TYR 3.01 -1.91 1 118 GLU 4.08 -1.70 1 119 LEU 3.48 -1.02 1 120 THR 5.84 -1.87 1 121 SER 4.99 -1.92 1 122 LYS 3.97 -1.62 1 123 ALA -0.57 -0.26 1 125 LEU -3.15 0.56 1 126 LEU 2.94 -0.79 1 129 TYR 3.66 -0.34 1 130 GLN 3.69 -0.73 1 131 ILE 6.31 -4.79 1 132 LEU 5.62 -2.78 1 133 HIS 5.74 -0.07 1 134 GLU 3.39 -1.58 1 136 LEU 4.59 -2.53 1 137 LYS 3.53 -1.38 1 138 ARG 1.43 -0.44 1 139 ASN -0.79 0.49 1 142 MET 1.08 -0.76 1 144 ASP 0.74 -0.72 1 145 THR 0.60 -1.28 1 146 SER 0.61 -0.44 1 147 ILE -0.62 0.16 1 148 LYS -1.34 0.07 1 149 PHE -3.57 2.13 1 150 GLU -5.45 2.95 1 151 VAL -2.89 0.52 1 152 VAL -1.59 0.26 1 155 LYS 0.75 -0.91 1 158 LYS -1.11 0.40 1 159 SER -0.73 0.68 1 160 GLU -3.76 1.37 1 161 TYR -5.87 2.54 1 162 VAL -2.97 1.30 1 164 ALA -5.08 2.50 1 167 LYS 2.34 -2.34 1 168 HIS -2.78 3.43 1 169 THR -0.95 0.74 1 170 VAL -5.38 1.62 1 171 ARG -5.25 2.85 1 173 TRP -3.33 1.47 1 178 ARG 5.27 -2.17 1 179 VAL 4.46 -1.86 1 181 LYS 4.79 -2.09 1 182 GLN 5.07 -4.25 1 183 LEU 4.05 -1.94 1 184 ALA 2.46 -0.58 1 186 GLN 4.27 0.19 1 187 LYS 4.59 -1.05 1 188 ILE 6.03 -4.38 1 189 LEU 4.50 -1.22 1 190 GLN 3.44 -1.31 1 191 LEU 4.65 -2.58 1 192 LEU 0.36 -0.25 1 193 HIS 0.16 -1.85 1 196 VAL 1.28 -1.65 1 197 LYS -0.85 0.33 1 201 SER 4.70 -0.50 1 203 LEU 4.34 -2.30 1 204 ARG 4.02 -1.45 1 205 MET 2.29 0.59 1 206 TYR -1.85 1.28 1 208 ARG 1.00 -0.93 1 209 GLU 0.63 -0.86 1 210 SER 0.49 -0.43 1 211 SER 1.06 -1.11 1 212 LYS 0.82 -1.16 1 213 MET 0.77 -0.93 1 214 VAL 1.29 -0.38 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17773_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.71 _LACS_plot.Line_1_terminator_val_y_1 -2.94 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.73 _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 8.68 _LACS_plot.Line_2_terminator_val_y_2 3.16 _LACS_plot.Y_axis_chem_shift_offset 0.12 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 85 ILE -0.01 6.11 0 10 GLU -0.08 -0.23 1 11 PHE 0.26 -0.42 1 16 ASN 1.41 0.75 1 18 LYS -1.38 -0.54 1 19 SER -1.75 0.31 1 20 GLU 7.50 1.98 1 21 VAL 4.77 2.45 1 23 ILE 5.20 2.36 1 24 LEU 5.52 0.22 1 25 HIS 4.60 3.67 1 26 GLU 3.99 2.18 1 27 TYR 4.30 2.00 1 28 MET 7.11 2.17 1 29 GLN 4.11 1.60 1 30 ARG 3.06 1.07 1 31 VAL 3.66 0.59 1 32 LEU 1.51 -1.31 1 33 LYS -0.29 -1.10 1 34 VAL -4.51 -2.93 1 35 ARG -1.42 -0.02 1 37 VAL -0.46 -1.16 1 38 TYR -1.23 -0.74 1 39 ASN -3.65 -1.89 1 40 PHE -1.92 -0.43 1 41 PHE -2.87 -2.49 1 42 GLU -1.83 -0.79 1 44 GLU 1.64 -0.85 1 45 ASN -0.68 1.05 1 47 SER 1.85 0.15 1 48 GLU -1.77 -3.64 1 50 PHE 0.11 -2.24 1 52 ALA -5.24 -2.16 1 53 SER -3.99 -1.87 1 54 VAL -0.85 -0.73 1 55 THR -3.58 -0.86 1 56 ILE 0.27 0.53 1 57 ASP 2.35 -0.50 1 59 VAL -1.93 -0.87 1 60 THR 3.15 -0.40 1 61 TYR 0.27 -1.27 1 63 SER -3.74 -1.74 1 65 THR -4.38 -0.89 1 66 ALA -5.37 -1.82 1 67 SER 1.92 -1.18 1 68 SER -4.62 -1.17 1 69 LYS 5.42 1.36 1 70 LYS 4.75 2.73 1 71 LEU 3.15 2.00 1 72 ALA 5.68 1.17 1 73 LYS 5.37 1.54 1 74 ASN 4.27 2.48 1 75 LYS 4.26 3.08 1 76 ALA 4.23 3.17 1 77 ALA 4.66 1.56 1 78 ARG 5.52 1.30 1 79 ALA 2.91 2.70 1 80 THR 6.73 1.25 1 81 LEU 5.60 -0.28 1 82 GLU 2.91 1.75 1 83 ILE 3.68 1.31 1 84 LEU 1.63 0.03 1 87 ASP 2.00 0.12 1 88 PHE 3.06 0.75 1 89 VAL 2.16 -0.10 1 90 LYS 1.54 0.48 1 91 GLN 0.93 0.58 1 92 THR -0.09 0.00 1 93 SER 0.44 0.04 1 94 GLU 0.42 -0.21 1 95 GLU -0.15 -0.54 1 96 LYS 0.64 -0.38 1 98 LYS 1.57 0.25 1 99 ASP 0.66 0.23 1 100 SER 1.09 0.85 1 101 GLU 1.94 1.40 1 102 GLU 2.61 0.93 1 103 LEU 1.81 1.55 1 104 GLU 4.01 1.79 1 105 TYR 4.05 2.40 1 106 PHE 6.06 1.90 1 107 ASN 3.23 -0.67 1 108 HIS -1.29 -0.13 1 109 ILE -2.71 -1.90 1 110 SER 0.93 0.31 1 111 ILE 6.88 -0.05 1 112 GLU 0.01 -0.87 1 113 ASP -0.34 2.37 1 115 ARG 1.60 0.48 1 116 VAL 8.68 1.42 1 117 TYR 3.01 2.01 1 118 GLU 4.08 2.36 1 119 LEU 3.48 3.83 1 120 THR 5.84 2.71 1 121 SER 4.99 3.65 1 122 LYS 3.97 1.09 1 123 ALA -0.57 -0.68 1 125 LEU -3.15 -0.71 1 126 LEU 2.94 0.54 1 129 TYR 3.66 1.90 1 130 GLN 3.69 4.14 1 131 ILE 6.31 0.75 1 132 LEU 5.62 -0.01 1 133 HIS 5.74 3.99 1 134 GLU 3.39 1.47 1 136 LEU 4.59 1.65 1 137 LYS 3.53 2.10 1 138 ARG 1.43 0.50 1 139 ASN -0.79 -0.72 1 142 MET 1.08 -0.02 1 144 ASP 0.74 0.49 1 145 THR 0.60 -0.73 1 146 SER 0.61 -0.73 1 147 ILE -0.62 -0.18 1 148 LYS -1.34 -1.82 1 149 PHE -3.57 -2.57 1 150 GLU -5.45 -3.39 1 151 VAL -2.89 -0.87 1 152 VAL -1.59 -0.81 1 155 LYS 0.75 0.82 1 158 LYS -1.11 -0.42 1 159 SER -0.73 -2.16 1 160 GLU -3.76 -0.91 1 161 TYR -5.87 -1.92 1 162 VAL -2.97 -1.48 1 163 MET -6.71 -3.30 1 164 ALA -5.08 -1.23 1 167 LYS 2.34 -0.89 1 168 HIS -2.78 0.69 1 169 THR -0.95 -0.60 1 170 VAL -5.38 -2.98 1 171 ARG -5.25 -1.13 1 173 TRP -3.33 0.29 1 178 ARG 5.27 2.65 1 179 VAL 4.46 3.08 1 181 LYS 4.79 1.93 1 182 GLN 5.07 1.16 1 183 LEU 4.05 3.04 1 184 ALA 2.46 1.33 1 186 GLN 4.27 1.35 1 187 LYS 4.59 4.08 1 188 ILE 6.03 1.68 1 189 LEU 4.50 2.95 1 190 GLN 3.44 2.54 1 191 LEU 4.65 1.89 1 192 LEU 0.36 -1.21 1 193 HIS 0.16 -1.63 1 196 VAL 1.28 -0.58 1 197 LYS -0.85 0.32 1 201 SER 4.70 1.06 1 203 LEU 4.34 2.28 1 204 ARG 4.02 1.49 1 205 MET 2.29 0.88 1 206 TYR -1.85 -0.43 1 208 ARG 1.00 0.27 1 209 GLU 0.63 0.20 1 210 SER 0.49 0.40 1 211 SER 1.06 -0.13 1 212 LYS 0.82 -0.23 1 213 MET 0.77 -1.02 1 214 VAL 1.29 4.67 1 stop_ save_