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 bmr27399_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.30 _LACS_plot.Line_1_terminator_val_y_1 -3.53 _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 -1.59 _LACS_plot.Line_2_terminator_val_x_2 7.86 _LACS_plot.Line_2_terminator_val_y_2 5.77 _LACS_plot.Y_axis_chem_shift_offset 0.11 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 119 THR 4.14 -1.28 0 10 LEU 1.07 0.27 1 11 LEU 0.67 0.04 1 12 SER 0.15 0.15 1 16 ASN 0.75 0.55 1 17 ASP 0.67 0.40 1 18 SER 0.97 1.02 1 19 ALA 1.20 0.68 1 20 SER 0.55 0.57 1 21 ARG 1.24 0.23 1 22 LYS 5.72 5.54 1 26 LYS 0.26 0.02 1 27 ALA 0.23 -0.11 1 28 ARG 0.67 -0.07 1 29 ALA 0.56 1.19 1 30 SER 0.64 0.84 1 42 GLU 1.22 1.71 1 43 HIS -6.28 -2.14 1 44 ARG -2.03 -2.26 1 45 ASN 3.98 2.35 1 46 GLU 1.07 -0.14 1 47 LYS -0.92 -1.48 1 49 GLU 2.67 1.18 1 50 ARG -5.78 -2.62 1 51 ILE 0.07 -0.39 1 52 SER 1.49 2.02 1 53 MET 6.10 6.69 1 57 ARG 3.16 0.99 1 58 VAL 1.43 0.33 1 59 VAL -5.29 -2.74 1 60 LEU -1.29 -1.66 1 61 ASP 3.19 1.59 1 62 GLU -0.46 -0.13 1 63 ASN 0.36 -0.04 1 65 ILE -3.25 -2.37 1 66 SER 2.57 2.99 1 67 HIS -0.62 0.31 1 68 ARG -2.30 -0.57 1 69 SER -2.87 -0.33 1 70 ARG -3.38 -0.13 1 71 TYR -4.07 -1.75 1 72 PHE -3.17 -3.76 1 74 MET -1.75 -1.82 1 75 LEU -1.32 -0.94 1 77 ASP -1.52 -0.67 1 78 ASN 3.12 2.42 1 79 GLU 5.84 4.39 1 80 THR 4.93 2.23 1 81 ALA 1.59 0.06 1 82 ILE 4.52 2.81 1 83 ALA 4.11 5.84 1 84 HIS 2.60 3.49 1 85 ALA 5.53 4.08 1 86 LYS 1.95 2.07 1 87 LYS -0.28 1.24 1 88 THR 6.56 2.79 1 89 SER -3.78 -1.82 1 90 ILE -1.62 -1.81 1 92 ALA -2.15 -1.75 1 93 VAL 3.66 2.46 1 96 ASP -1.00 -0.35 1 97 SER 5.45 4.12 1 98 SER 5.47 3.55 1 99 LYS 4.65 3.27 1 100 ARG 5.72 4.44 1 101 ILE 4.10 3.48 1 102 SER 3.73 3.25 1 103 ASP 4.55 3.38 1 104 ALA 2.94 2.46 1 105 TYR 2.66 2.02 1 106 LYS -2.24 0.04 1 107 LYS -3.84 -1.41 1 108 ALA 1.36 1.36 1 109 SER -2.25 -1.13 1 110 VAL -3.85 -1.88 1 111 TYR -0.25 -0.46 1 116 ALA 3.65 2.93 1 117 GLN 5.22 4.03 1 118 GLN -1.02 -0.43 1 120 TYR 3.05 1.09 1 121 ASN -0.09 -0.26 1 122 ALA -2.77 -0.23 1 125 TYR -7.30 -1.78 1 126 ALA -2.11 -1.74 1 127 GLN 3.71 1.88 1 128 VAL -0.35 -1.57 1 129 VAL -2.64 -0.06 1 130 SER -2.66 -2.40 1 131 ASP 1.17 0.88 1 132 LEU -1.33 -0.54 1 133 ASN 2.80 2.23 1 134 SER 1.16 0.59 1 135 THR -0.74 -1.36 1 136 GLU -2.09 -3.10 1 137 LEU -2.42 -0.76 1 142 ASP 3.35 2.51 1 143 SER 1.82 1.67 1 144 SER 1.57 4.89 1 145 HIS -2.48 -0.47 1 146 ALA -4.24 -2.96 1 149 VAL 0.11 -0.74 1 150 ARG -4.80 -2.99 1 151 ILE -6.45 -3.39 1 155 LYS -1.33 -1.70 1 156 THR 3.25 1.02 1 158 ASN -4.23 -0.91 1 159 LEU -0.05 -0.03 1 160 PHE -3.27 -2.77 1 161 SER 4.47 2.62 1 162 ALA 3.80 2.98 1 163 GLU 7.87 5.23 1 164 ILE 4.50 3.57 1 165 SER 6.53 4.86 1 168 VAL 3.69 3.12 1 169 SER -0.70 -0.19 1 170 HIS 0.73 3.35 1 171 MET -1.46 -2.86 1 172 ASP 4.29 1.85 1 173 HIS -1.34 -0.89 1 175 SER 1.66 1.11 1 176 GLU -1.54 0.63 1 177 ALA -3.05 -2.25 1 178 ARG 2.29 2.81 1 179 ASP 0.74 0.61 1 181 MET -0.26 -1.25 1 182 GLU -2.88 -2.15 1 183 MET 0.80 1.60 1 184 MET 5.62 5.62 1 185 TYR 4.02 3.23 1 186 ASP 3.07 2.90 1 187 GLU 4.28 3.20 1 189 SER 3.42 1.44 1 190 ARG 0.48 0.00 1 203 ILE 2.48 1.84 1 205 ARG -0.53 -0.92 1 206 ASP 0.96 0.94 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27399_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.30 _LACS_plot.Line_1_terminator_val_y_1 3.77 _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 0.41 _LACS_plot.Line_2_terminator_val_x_2 7.86 _LACS_plot.Line_2_terminator_val_y_2 -2.09 _LACS_plot.Y_axis_chem_shift_offset 0.11 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 119 THR 4.14 -5.42 0 10 LEU 1.07 -0.80 1 11 LEU 0.67 -0.63 1 12 SER 0.15 0.00 1 16 ASN 0.75 -0.20 1 17 ASP 0.67 -0.27 1 18 SER 0.97 0.05 1 19 ALA 1.20 -0.52 1 20 SER 0.55 0.02 1 21 ARG 1.24 -1.01 1 22 LYS 5.72 -0.18 1 26 LYS 0.26 -0.24 1 27 ALA 0.23 -0.34 1 28 ARG 0.67 -0.74 1 29 ALA 0.56 0.63 1 30 SER 0.64 0.20 1 42 GLU 1.22 0.49 1 43 HIS -6.28 4.14 1 44 ARG -2.03 -0.23 1 45 ASN 3.98 -1.63 1 46 GLU 1.07 -1.21 1 47 LYS -0.92 -0.56 1 49 GLU 2.67 -1.49 1 50 ARG -5.78 3.16 1 51 ILE 0.07 -0.46 1 52 SER 1.49 0.53 1 53 MET 6.10 0.59 1 57 ARG 3.16 -2.17 1 58 VAL 1.43 -1.10 1 59 VAL -5.29 2.55 1 60 LEU -1.29 -0.37 1 61 ASP 3.19 -1.60 1 62 GLU -0.46 0.33 1 63 ASN 0.36 -0.40 1 65 ILE -3.25 0.88 1 66 SER 2.57 0.42 1 67 HIS -0.62 0.93 1 68 ARG -2.30 1.73 1 69 SER -2.87 2.54 1 70 ARG -3.38 3.25 1 71 TYR -4.07 2.32 1 72 PHE -3.17 -0.59 1 74 MET -1.75 -0.07 1 75 LEU -1.32 0.38 1 77 ASP -1.52 0.85 1 78 ASN 3.12 -0.70 1 79 GLU 5.84 -1.45 1 80 THR 4.93 -2.70 1 81 ALA 1.59 -1.53 1 82 ILE 4.52 -1.71 1 83 ALA 4.11 1.73 1 84 HIS 2.60 0.89 1 85 ALA 5.53 -1.45 1 86 LYS 1.95 0.12 1 87 LYS -0.28 1.52 1 88 THR 6.56 -3.77 1 89 SER -3.78 1.96 1 90 ILE -1.62 -0.19 1 92 ALA -2.15 0.40 1 93 VAL 3.66 -1.20 1 96 ASP -1.00 0.65 1 97 SER 5.45 -1.33 1 98 SER 5.47 -1.92 1 99 LYS 4.65 -1.38 1 100 ARG 5.72 -1.28 1 101 ILE 4.10 -0.62 1 102 SER 3.73 -0.48 1 103 ASP 4.55 -1.17 1 104 ALA 2.94 -0.48 1 105 TYR 2.66 -0.64 1 106 LYS -2.24 2.28 1 107 LYS -3.84 2.43 1 108 ALA 1.36 0.00 1 109 SER -2.25 1.12 1 110 VAL -3.85 1.97 1 111 TYR -0.25 -0.21 1 116 ALA 3.65 -0.72 1 117 GLN 5.22 -1.19 1 118 GLN -1.02 0.59 1 120 TYR 3.05 -1.96 1 121 ASN -0.09 -0.17 1 122 ALA -2.77 2.54 1 125 TYR -7.30 5.52 1 126 ALA -2.11 0.37 1 127 GLN 3.71 -1.83 1 128 VAL -0.35 -1.22 1 129 VAL -2.64 2.58 1 130 SER -2.66 0.26 1 131 ASP 1.17 -0.29 1 132 LEU -1.33 0.79 1 133 ASN 2.80 -0.57 1 134 SER 1.16 -0.57 1 135 THR -0.74 -0.62 1 136 GLU -2.09 -1.01 1 137 LEU -2.42 1.66 1 142 ASP 3.35 -0.84 1 143 SER 1.82 -0.15 1 144 SER 1.57 3.32 1 145 HIS -2.48 2.01 1 146 ALA -4.24 1.28 1 149 VAL 0.11 -0.85 1 150 ARG -4.80 1.81 1 151 ILE -6.45 3.06 1 155 LYS -1.33 -0.37 1 156 THR 3.25 -2.23 1 158 ASN -4.23 3.32 1 159 LEU -0.05 0.02 1 160 PHE -3.27 0.50 1 161 SER 4.47 -1.85 1 162 ALA 3.80 -0.82 1 163 GLU 7.87 -2.64 1 164 ILE 4.50 -0.93 1 165 SER 6.53 -1.67 1 168 VAL 3.69 -0.57 1 169 SER -0.70 0.51 1 170 HIS 0.73 2.62 1 171 MET -1.46 -1.40 1 172 ASP 4.29 -2.44 1 173 HIS -1.34 0.45 1 175 SER 1.66 -0.55 1 176 GLU -1.54 2.17 1 177 ALA -3.05 0.80 1 178 ARG 2.29 0.52 1 179 ASP 0.74 -0.13 1 181 MET -0.26 -0.99 1 182 GLU -2.88 0.73 1 183 MET 0.80 0.80 1 184 MET 5.62 0.00 1 185 TYR 4.02 -0.79 1 186 ASP 3.07 -0.17 1 187 GLU 4.28 -1.08 1 189 SER 3.42 -1.98 1 190 ARG 0.48 -0.48 1 203 ILE 2.48 -0.64 1 205 ARG -0.53 -0.39 1 206 ASP 0.96 -0.02 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27399_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.45 _LACS_plot.Line_1_terminator_val_y_1 -1.41 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.76 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.36 _LACS_plot.Line_2_terminator_val_x_2 7.86 _LACS_plot.Line_2_terminator_val_y_2 2.28 _LACS_plot.Y_axis_chem_shift_offset -0.21 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 129 VAL -2.64 9.22 0 10 LEU 1.07 -0.01 1 11 LEU 0.67 0.25 1 16 ASN 0.75 0.24 1 17 ASP 0.67 0.77 1 18 SER 0.97 0.74 1 19 ALA 1.20 0.82 1 20 SER 0.55 0.46 1 21 ARG 1.24 0.25 1 22 LYS 5.72 2.04 1 26 LYS 0.26 0.17 1 27 ALA 0.23 0.06 1 29 ALA 0.56 -1.66 1 30 SER 0.64 -2.16 1 42 GLU 1.22 -0.16 1 43 HIS -6.28 0.48 1 44 ARG -2.03 2.91 1 45 ASN 3.98 1.16 1 46 GLU 1.07 0.59 1 47 LYS -0.92 0.03 1 49 GLU 2.67 -1.26 1 50 ARG -5.78 0.29 1 51 ILE 0.07 1.47 1 52 SER 1.49 0.55 1 53 MET 6.10 1.92 1 57 ARG 3.16 -2.09 1 58 VAL 1.43 -0.06 1 59 VAL -5.29 -0.67 1 60 LEU -1.29 1.93 1 61 ASP 3.19 1.14 1 62 GLU -0.46 0.80 1 63 ASN 0.36 0.65 1 65 ILE -3.25 0.26 1 66 SER 2.57 1.70 1 67 HIS -0.62 1.68 1 68 ARG -2.30 -3.33 1 69 SER -3.17 -0.93 1 74 MET -1.75 0.40 1 75 LEU -1.32 -0.96 1 77 ASP -1.52 0.93 1 78 ASN 3.12 1.90 1 79 GLU 5.84 1.79 1 80 THR 4.93 1.70 1 81 ALA 1.59 0.48 1 82 ILE 4.52 3.99 1 83 ALA 4.11 5.93 1 84 HIS 2.60 5.18 1 85 ALA 5.53 0.91 1 86 LYS 1.95 2.57 1 87 LYS -0.28 0.85 1 88 THR 6.56 -1.25 1 89 SER -3.78 -1.42 1 90 ILE -1.62 -3.44 1 92 ALA -2.15 0.45 1 93 VAL 3.66 0.90 1 96 ASP -1.00 1.18 1 97 SER 5.45 1.20 1 98 SER 5.47 2.25 1 99 LYS 4.65 3.50 1 100 ARG 5.72 0.75 1 101 ILE 4.10 3.48 1 102 SER 3.73 3.05 1 103 ASP 4.55 1.02 1 104 ALA 2.94 0.30 1 105 TYR 2.66 1.43 1 106 LYS -2.24 -1.27 1 107 LYS -3.84 -0.28 1 108 ALA 1.36 -2.13 1 109 SER -2.25 -2.80 1 110 VAL -0.25 0.71 1 116 ALA 3.65 1.13 1 117 GLN 5.22 1.52 1 118 GLN -1.02 1.04 1 119 THR 4.14 -0.41 1 120 TYR 3.05 1.55 1 121 ASN -0.09 0.05 1 122 ALA 3.71 0.61 1 128 VAL -0.35 -0.87 1 130 SER -2.66 0.85 1 131 ASP 1.17 0.07 1 132 LEU -1.33 1.90 1 133 ASN 2.80 0.28 1 134 SER 1.16 0.00 1 135 THR -0.74 -1.88 1 136 GLU -2.09 -1.91 1 137 LEU -2.42 1.59 1 142 ASP 3.35 0.55 1 143 SER 1.82 0.94 1 144 SER 1.57 0.71 1 145 HIS -2.48 0.11 1 146 ALA -4.24 -1.78 1 149 VAL 0.11 -0.08 1 150 ARG -6.45 -0.20 1 155 LYS -1.33 -1.33 1 156 THR 3.25 -0.86 1 158 ASN -4.23 -3.44 1 159 LEU -0.05 -0.74 1 160 PHE -3.27 0.04 1 161 SER 4.47 2.27 1 162 ALA 3.80 2.45 1 163 GLU 7.87 1.41 1 164 ILE 4.50 2.15 1 165 SER 6.53 1.80 1 168 VAL 3.69 -1.76 1 169 SER -0.70 1.64 1 170 HIS 0.73 -0.20 1 171 MET -1.46 0.61 1 172 ASP -1.34 -1.70 1 175 SER 1.66 -0.58 1 176 GLU -1.54 -1.68 1 177 ALA -3.05 -0.25 1 178 ARG 2.29 1.41 1 179 ASP 0.74 -2.56 1 181 MET -0.26 -0.10 1 182 GLU -2.88 -2.20 1 183 MET 0.80 1.39 1 184 MET 5.62 2.58 1 185 TYR 4.02 3.75 1 186 ASP 3.07 0.94 1 187 GLU 4.28 2.38 1 189 SER 3.42 1.67 1 190 ARG 0.48 -0.57 1 203 ILE 2.48 0.84 1 205 ARG -0.53 -1.19 1 206 ASP 0.96 4.64 1 stop_ save_