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 bmr18020_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.90 _LACS_plot.Line_1_terminator_val_y_1 -3.37 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.33 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.69 _LACS_plot.Line_2_terminator_val_x_2 7.27 _LACS_plot.Line_2_terminator_val_y_2 5.15 _LACS_plot.Y_axis_chem_shift_offset 0.31 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 82 MET 0.93 -3.33 0 10 LEU -4.86 -1.84 1 11 ASP -2.33 -1.39 1 13 SER 0.83 0.95 1 14 ASN 2.76 2.46 1 15 SER 3.86 1.55 1 19 TRP 1.86 1.49 1 20 ASP 2.75 1.28 1 21 SER 4.57 3.70 1 22 VAL 6.33 3.35 1 23 THR 6.17 3.87 1 24 ALA 3.81 2.51 1 25 PHE 3.72 2.72 1 26 LEU 2.52 1.98 1 27 ASN 2.89 4.21 1 28 ASP 3.79 2.16 1 29 LEU 2.11 2.05 1 30 LEU 3.30 1.73 1 31 GLU 3.01 1.83 1 32 ARG 0.23 -0.71 1 33 MET -1.08 0.00 1 34 ASP -0.52 -1.43 1 35 ILE -1.59 -2.91 1 38 LYS -0.64 -1.75 1 39 GLN -0.00 -0.52 1 40 THR 1.90 1.39 1 41 GLN -4.96 -1.10 1 42 VAL -5.97 -2.74 1 44 ILE -2.71 -0.68 1 45 VAL -4.69 -2.74 1 46 GLN -5.44 -2.93 1 47 TYR -7.72 -3.22 1 49 GLU 1.32 1.19 1 50 ASN -4.55 -2.47 1 51 VAL -0.71 -0.43 1 52 THR -1.96 -0.27 1 53 HIS -0.11 1.12 1 54 GLU 3.24 1.06 1 55 PHE -1.89 -1.19 1 56 ASN -1.78 -1.70 1 57 LEU 2.43 3.17 1 58 ASN -2.02 -2.60 1 59 LYS 3.15 2.49 1 60 TYR -3.07 -1.45 1 61 SER -1.46 -1.04 1 62 SER -4.44 -1.57 1 63 THR 6.11 5.08 1 64 GLU 4.52 3.49 1 65 GLU 1.37 2.02 1 66 VAL 5.21 3.21 1 67 LEU 4.45 2.47 1 68 VAL 4.79 3.56 1 69 ALA 1.46 1.99 1 70 ALA 4.02 2.13 1 71 LYS 2.45 1.58 1 72 LYS -0.56 -0.59 1 73 ILE 3.11 1.72 1 74 VAL -2.63 -2.39 1 75 GLN 1.56 -0.58 1 76 ARG 2.83 1.50 1 81 THR 1.02 0.58 1 83 THR 4.97 3.55 1 84 ALA 6.16 3.65 1 85 LEU 3.86 2.37 1 87 ILE 4.79 4.45 1 88 ASP 1.63 3.03 1 89 THR 6.86 5.01 1 90 ALA 3.66 2.88 1 91 ARG 6.05 4.47 1 92 LYS 1.46 2.02 1 93 GLU -2.10 0.07 1 94 ALA 2.75 2.74 1 95 PHE 2.12 -0.51 1 96 THR -4.99 -2.58 1 97 GLU 2.77 2.12 1 98 ALA 2.88 1.96 1 99 ARG 1.94 0.43 1 101 ALA 1.35 0.08 1 102 ARG -2.42 -1.45 1 103 ARG 2.54 1.11 1 105 VAL 0.13 -1.20 1 106 LYS 1.31 1.19 1 107 LYS -2.85 -1.16 1 108 VAL -5.36 -1.98 1 109 MET -7.90 -2.01 1 110 VAL -2.46 -1.59 1 111 ILE -2.68 -0.10 1 112 VAL -2.30 -1.43 1 113 THR 0.78 -0.41 1 116 GLU -0.07 -0.47 1 117 SER 0.09 0.72 1 119 ASP -0.46 -2.67 1 120 ASN 4.22 3.30 1 121 HIS 3.07 3.19 1 122 ARG -0.41 -0.36 1 123 LEU 3.58 3.12 1 124 LYS 5.51 3.74 1 125 LYS 3.28 2.04 1 126 VAL 4.49 3.38 1 127 ILE 5.98 2.44 1 128 GLN 4.40 2.70 1 129 ASP 5.27 3.36 1 131 GLU 3.09 1.95 1 132 ASP 3.84 2.61 1 133 GLU -0.39 -0.85 1 134 ASN 3.19 0.91 1 135 ILE 0.06 -0.02 1 136 GLN 0.16 -0.12 1 137 ARG -1.32 -1.48 1 138 PHE -3.28 -1.27 1 139 SER -5.72 -2.79 1 140 ILE -3.18 -1.50 1 141 ALA -3.55 -3.34 1 142 ILE -0.14 -1.00 1 143 LEU 3.95 1.33 1 146 TYR 6.10 3.82 1 147 ASN 4.31 2.60 1 148 ARG 3.88 3.87 1 150 ASN 2.78 1.13 1 151 LEU -2.30 -1.62 1 152 SER 1.35 0.27 1 153 THR 0.02 0.00 1 154 GLU 5.06 4.48 1 155 LYS 4.31 2.75 1 156 PHE 1.16 0.23 1 157 VAL 7.27 5.17 1 158 GLU 3.58 2.53 1 159 GLU 3.30 2.90 1 160 ILE 6.08 0.54 1 161 LYS 5.45 4.11 1 162 SER 3.76 2.51 1 163 ILE 0.93 1.29 1 164 ALA -0.69 -0.60 1 165 SER 5.31 3.07 1 166 GLU -2.23 -2.84 1 168 THR 6.25 5.07 1 169 GLU 3.65 2.20 1 170 LYS -1.10 -0.72 1 171 HIS 0.37 2.85 1 172 PHE -3.87 -2.31 1 173 PHE -4.91 -2.12 1 174 ASN -3.29 -1.79 1 175 VAL -3.68 -2.73 1 176 SER 4.45 3.43 1 177 ASP -3.33 -1.09 1 178 GLU 6.31 5.52 1 179 LEU 4.09 1.73 1 180 ALA -1.12 -1.30 1 181 LEU 5.32 3.80 1 182 VAL 3.83 2.05 1 183 THR 2.28 2.07 1 184 ILE 0.69 -0.04 1 185 VAL 6.64 4.86 1 186 LYS 4.79 3.17 1 187 THR 5.06 3.64 1 188 LEU 4.66 3.23 1 190 GLU 1.09 0.59 1 191 ARG -0.53 0.62 1 192 ILE 4.17 3.87 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18020_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.90 _LACS_plot.Line_1_terminator_val_y_1 4.53 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.67 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.31 _LACS_plot.Line_2_terminator_val_x_2 7.27 _LACS_plot.Line_2_terminator_val_y_2 -2.12 _LACS_plot.Y_axis_chem_shift_offset 0.31 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 82 MET 0.93 -4.26 0 10 LEU -4.86 3.02 1 11 ASP -2.33 0.94 1 13 SER 0.83 0.12 1 14 ASN 2.76 -0.30 1 15 SER 3.86 -2.31 1 19 TRP 1.86 -0.37 1 20 ASP 2.75 -1.47 1 21 SER 4.57 -0.87 1 22 VAL 6.33 -2.98 1 23 THR 6.17 -2.30 1 24 ALA 3.81 -1.30 1 25 PHE 3.72 -1.00 1 26 LEU 2.52 -0.54 1 27 ASN 2.89 1.32 1 28 ASP 3.79 -1.63 1 29 LEU 2.11 -0.06 1 30 LEU 3.30 -1.57 1 31 GLU 3.01 -1.18 1 32 ARG 0.23 -0.94 1 33 MET -1.08 1.08 1 34 ASP -0.52 -0.91 1 35 ILE -1.59 -1.32 1 38 LYS -0.64 -1.11 1 39 GLN -0.00 -0.52 1 40 THR 1.90 -0.51 1 41 GLN -4.96 3.86 1 42 VAL -5.97 3.23 1 44 ILE -2.71 2.03 1 45 VAL -4.69 1.95 1 46 GLN -5.44 2.51 1 47 TYR -7.72 4.50 1 49 GLU 1.32 -0.13 1 50 ASN -4.55 2.08 1 51 VAL -0.71 0.28 1 52 THR -1.96 1.69 1 53 HIS -0.11 1.23 1 54 GLU 3.24 -2.18 1 55 PHE -1.89 0.70 1 56 ASN -1.78 0.08 1 57 LEU 2.43 0.74 1 58 ASN -2.02 -0.58 1 59 LYS 3.15 -0.66 1 60 TYR -3.07 1.62 1 61 SER -1.46 0.42 1 62 SER -4.44 2.87 1 63 THR 6.11 -1.03 1 64 GLU 4.52 -1.03 1 65 GLU 1.37 0.65 1 66 VAL 5.21 -2.00 1 67 LEU 4.45 -1.98 1 68 VAL 4.79 -1.23 1 69 ALA 1.46 0.53 1 70 ALA 4.02 -1.89 1 71 LYS 2.45 -0.87 1 72 LYS -0.56 -0.03 1 73 ILE 3.11 -1.39 1 74 VAL -2.63 0.24 1 75 GLN 1.56 -2.14 1 76 ARG 2.83 -1.33 1 81 THR 1.02 -0.44 1 83 THR 4.97 -1.42 1 84 ALA 6.16 -2.51 1 85 LEU 3.86 -1.49 1 87 ILE 4.79 -0.34 1 88 ASP 1.63 1.40 1 89 THR 6.86 -1.85 1 90 ALA 3.66 -0.78 1 91 ARG 6.05 -1.58 1 92 LYS 1.46 0.56 1 93 GLU -2.10 2.17 1 94 ALA 2.75 -0.01 1 95 PHE 2.12 -2.63 1 96 THR -4.99 2.41 1 97 GLU 2.77 -0.65 1 98 ALA 2.88 -0.92 1 99 ARG 1.94 -1.51 1 101 ALA 1.35 -1.27 1 102 ARG -2.42 0.97 1 103 ARG 2.54 -1.43 1 105 VAL 0.13 -1.33 1 106 LYS 1.31 -0.12 1 107 LYS -2.85 1.69 1 108 VAL -5.36 3.38 1 109 MET -7.90 5.89 1 110 VAL -2.46 0.87 1 111 ILE -2.68 2.58 1 112 VAL -2.30 0.87 1 113 THR 0.78 -1.19 1 116 GLU -0.07 -0.40 1 117 SER 0.09 0.63 1 119 ASP -0.46 -2.21 1 120 ASN 4.22 -0.92 1 121 HIS 3.07 0.12 1 122 ARG -0.41 0.05 1 123 LEU 3.58 -0.46 1 124 LYS 5.51 -1.77 1 125 LYS 3.28 -1.24 1 126 VAL 4.49 -1.11 1 127 ILE 5.98 -3.54 1 128 GLN 4.40 -1.70 1 129 ASP 5.27 -1.91 1 131 GLU 3.09 -1.14 1 132 ASP 3.84 -1.23 1 133 GLU -0.39 -0.46 1 134 ASN 3.19 -2.28 1 135 ILE 0.06 -0.08 1 136 GLN 0.16 -0.28 1 137 ARG -1.32 -0.16 1 138 PHE -3.28 2.01 1 139 SER -5.72 2.93 1 140 ILE -3.18 1.68 1 141 ALA -3.55 0.21 1 142 ILE -0.14 -0.86 1 143 LEU 3.95 -2.62 1 146 TYR 6.10 -2.28 1 147 ASN 4.31 -1.71 1 148 ARG 3.88 -0.01 1 150 ASN 2.78 -1.65 1 151 LEU -2.30 0.68 1 152 SER 1.35 -1.08 1 153 THR 0.02 -0.02 1 154 GLU 5.06 -0.58 1 155 LYS 4.31 -1.56 1 156 PHE 1.16 -0.93 1 157 VAL 7.27 -2.10 1 158 GLU 3.58 -1.05 1 159 GLU 3.30 -0.40 1 160 ILE 6.08 -5.54 1 161 LYS 5.45 -1.34 1 162 SER 3.76 -1.25 1 163 ILE 0.93 0.36 1 164 ALA -0.69 0.09 1 165 SER 5.31 -2.24 1 166 GLU -2.23 -0.61 1 168 THR 6.25 -1.18 1 169 GLU 3.65 -1.45 1 170 LYS -1.10 0.38 1 171 HIS 0.37 2.48 1 172 PHE -3.87 1.56 1 173 PHE -4.91 2.79 1 174 ASN -3.29 1.50 1 175 VAL -3.68 0.95 1 176 SER 4.45 -1.02 1 177 ASP -3.33 2.24 1 178 GLU 6.31 -0.79 1 179 LEU 4.09 -2.36 1 180 ALA -1.12 -0.18 1 181 LEU 5.32 -1.52 1 182 VAL 3.83 -1.78 1 183 THR 2.28 -0.21 1 184 ILE 0.69 -0.73 1 185 VAL 6.64 -1.78 1 186 LYS 4.79 -1.62 1 187 THR 5.06 -1.42 1 188 LEU 4.66 -1.43 1 190 GLU 1.09 -0.50 1 191 ARG -0.53 1.15 1 192 ILE 4.17 -0.30 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18020_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.90 _LACS_plot.Line_1_terminator_val_y_1 -2.93 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.66 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.81 _LACS_plot.Line_2_terminator_val_x_2 7.27 _LACS_plot.Line_2_terminator_val_y_2 2.48 _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 173 PHE -4.91 9.13 0 10 LEU -4.86 -3.51 1 11 ASP -2.33 -1.05 1 14 ASN 2.76 0.07 1 15 SER 3.86 0.01 1 19 TRP 1.86 1.01 1 20 ASP 2.75 1.90 1 21 SER 4.57 1.72 1 22 VAL 6.33 1.82 1 23 THR 6.17 3.12 1 24 ALA 3.81 0.89 1 25 PHE 3.72 -0.54 1 26 LEU 2.52 0.37 1 27 ASN 2.89 0.50 1 28 ASP 3.79 1.88 1 29 LEU 2.11 0.23 1 30 LEU 3.30 1.61 1 31 GLU 3.01 0.38 1 32 ARG 0.23 0.09 1 33 MET -1.08 -1.47 1 34 ASP -0.52 -2.51 1 35 ILE -1.59 0.21 1 38 LYS -0.64 -0.27 1 39 GLN -0.00 0.11 1 40 THR 1.90 -2.21 1 41 GLN -4.96 -1.84 1 42 VAL -5.97 -2.90 1 44 ILE -2.71 -2.21 1 45 VAL -4.69 -2.91 1 46 GLN -5.44 -1.57 1 47 TYR -7.72 -3.33 1 49 GLU 1.32 -1.33 1 50 ASN -4.55 -1.03 1 51 VAL -0.71 -1.44 1 52 THR -1.96 -1.21 1 53 HIS -0.11 1.59 1 54 GLU 3.24 2.35 1 55 PHE -1.89 -1.51 1 56 ASN -1.78 1.16 1 57 LEU 2.43 -1.56 1 58 ASN -2.02 1.87 1 59 LYS 3.15 -0.18 1 60 TYR -3.07 0.65 1 61 SER -1.46 -2.58 1 62 SER -4.44 -0.19 1 63 THR 6.11 0.88 1 64 GLU 4.52 2.25 1 65 GLU 1.37 2.63 1 66 VAL 5.21 0.43 1 67 LEU 4.45 2.53 1 68 VAL 4.79 1.93 1 69 ALA 1.46 3.83 1 70 ALA 4.02 0.45 1 71 LYS 2.45 1.03 1 72 LYS -0.56 0.21 1 73 ILE 3.11 0.51 1 74 VAL -2.63 -2.49 1 75 GLN 1.56 1.36 1 76 ARG 2.83 1.66 1 81 THR 1.02 0.79 1 82 MET 0.93 -1.38 1 83 THR 4.97 1.16 1 84 ALA 6.16 1.49 1 85 LEU 3.86 3.63 1 87 ILE 4.79 1.33 1 88 ASP 1.63 2.52 1 89 THR 6.86 2.08 1 90 ALA 3.66 0.58 1 91 ARG 6.05 1.10 1 92 LYS 1.46 0.58 1 93 GLU -2.10 1.08 1 94 ALA 2.75 0.46 1 95 PHE 2.12 -0.48 1 96 THR -4.99 1.82 1 97 GLU 2.77 4.15 1 98 ALA 2.88 1.46 1 99 ARG 1.94 -2.34 1 101 ALA 1.35 0.28 1 102 ARG -2.42 0.27 1 103 ARG 2.54 1.90 1 105 VAL 0.13 -0.44 1 106 LYS 1.31 -2.51 1 107 LYS -2.85 -0.34 1 108 VAL -5.36 -2.41 1 109 MET -7.90 -1.20 1 110 VAL -2.46 -2.27 1 111 ILE -2.68 -2.35 1 112 VAL -2.30 -2.39 1 113 THR 0.78 -3.33 1 116 GLU -0.07 0.35 1 121 HIS 3.07 2.50 1 122 ARG -0.41 0.40 1 123 LEU 3.58 -0.52 1 124 LYS 5.51 2.77 1 125 LYS 3.28 0.81 1 126 VAL 4.49 3.45 1 127 ILE 5.98 1.49 1 128 GLN 4.40 2.30 1 129 ASP 5.27 3.25 1 131 GLU 3.09 4.34 1 132 ASP 3.84 1.38 1 134 ASN 3.19 -0.37 1 135 ILE 0.06 -1.19 1 136 GLN 0.16 -0.89 1 137 ARG -1.32 -0.70 1 138 PHE -3.28 -0.36 1 139 SER -5.72 -2.99 1 140 ILE -3.18 -2.54 1 141 ALA -3.55 -2.40 1 142 ILE -0.14 0.54 1 146 TYR 6.10 2.92 1 147 ASN 4.31 5.52 1 148 ARG 3.88 2.03 1 150 ASN 2.78 -0.91 1 151 LEU -2.30 -0.06 1 152 SER 1.35 3.53 1 153 THR 0.02 0.55 1 154 GLU 5.06 1.97 1 155 LYS 4.31 2.56 1 156 PHE 1.16 0.21 1 157 VAL 7.27 1.08 1 158 GLU 3.58 2.56 1 159 GLU 3.30 2.98 1 160 ILE 6.08 4.18 1 161 LYS 5.45 1.84 1 162 SER 3.76 0.37 1 163 ILE 0.93 -1.00 1 164 ALA -0.69 0.70 1 165 SER 5.31 -3.16 1 166 GLU -2.23 0.00 1 168 THR 6.25 1.64 1 169 GLU 3.65 0.90 1 170 LYS -1.10 -0.44 1 171 HIS 0.37 -1.61 1 172 PHE -3.87 -1.74 1 174 ASN -3.29 -0.83 1 175 VAL -3.68 -0.43 1 176 SER 4.45 -1.28 1 177 ASP -3.33 -1.97 1 178 GLU 6.31 2.22 1 179 LEU 4.09 0.60 1 180 ALA -1.12 1.99 1 181 LEU 5.32 0.07 1 182 VAL 3.83 1.54 1 183 THR 2.28 2.11 1 184 ILE 0.69 -0.29 1 185 VAL 6.64 0.82 1 186 LYS 4.79 1.83 1 187 THR 5.06 2.93 1 188 LEU 4.66 0.71 1 190 GLU 1.09 1.11 1 191 ARG -0.53 -0.86 1 192 ILE 4.17 3.66 1 stop_ save_