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 bmr27446_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.69 _LACS_plot.Line_1_terminator_val_y_1 -2.78 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.40 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.03 _LACS_plot.Line_2_terminator_val_x_2 6.34 _LACS_plot.Line_2_terminator_val_y_2 4.81 _LACS_plot.Y_axis_chem_shift_offset -0.40 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 115 MET -5.97 -0.17 0 11 LYS 0.19 0.22 1 13 LEU -0.80 -0.06 1 14 SER -0.71 0.23 1 15 GLN 4.82 3.72 1 16 GLU 3.47 2.55 1 17 PHE 4.60 4.63 1 18 GLU 3.84 3.48 1 19 ALA 4.75 3.08 1 20 TYR 2.33 1.33 1 21 ILE 5.66 4.67 1 22 ASN 4.35 3.82 1 23 ALA 2.88 1.78 1 24 SER 0.95 2.14 1 26 GLU 0.95 0.43 1 27 HIS 1.30 3.52 1 29 ILE -6.55 -2.22 1 30 VAL -4.00 -1.29 1 31 VAL -0.45 0.15 1 46 ALA 5.71 4.00 1 47 MET 3.52 3.87 1 48 ALA 4.22 3.02 1 49 ILE 5.27 4.18 1 50 ALA 3.95 3.03 1 51 ASP 1.90 3.31 1 52 ALA 2.82 3.19 1 53 LEU 3.69 2.44 1 55 LYS 0.82 0.09 1 56 ILE 0.75 -0.33 1 58 GLN 3.09 2.59 1 59 THR 0.57 1.59 1 60 VAL -0.66 -0.85 1 61 LEU -1.15 -1.54 1 62 TRP -6.69 -4.53 1 63 ARG 1.76 -0.49 1 64 TYR -1.31 0.40 1 65 THR -0.45 -0.74 1 67 THR 2.79 2.11 1 68 ARG 0.89 1.09 1 70 SER 3.59 2.67 1 71 ASN 1.46 -0.52 1 72 LEU 1.63 1.86 1 73 ALA -2.74 -0.53 1 74 ASN 2.97 2.46 1 75 ASN 1.54 0.96 1 76 THR 1.62 1.35 1 77 ILE -1.35 -1.34 1 78 LEU 0.50 -0.90 1 79 VAL -5.73 -3.42 1 80 LYS 1.78 1.39 1 81 TRP -1.64 0.15 1 82 LEU -1.87 -0.41 1 84 GLN 4.66 6.32 1 85 ASN 5.05 4.53 1 86 ASP 3.37 3.34 1 87 LEU 3.04 2.56 1 88 LEU 4.36 3.08 1 90 HIS 0.64 3.74 1 92 MET 1.56 -1.35 1 93 THR 5.74 2.84 1 94 ARG -1.46 -0.82 1 95 ALA -3.17 -0.71 1 100 ALA 3.88 0.56 1 102 SER -0.55 0.29 1 103 HIS 4.59 5.48 1 105 VAL 6.35 4.68 1 106 TYR 5.36 4.38 1 107 GLU 4.00 3.60 1 108 SER 5.69 6.81 1 109 ILE 5.55 4.68 1 111 ASN -0.85 1.53 1 113 VAL -1.46 -0.24 1 116 VAL 1.03 0.43 1 117 MET -2.17 -0.42 1 118 MET -1.64 -0.24 1 120 LEU -1.00 1.19 1 121 PHE -3.36 -0.85 1 123 ASP 3.67 2.32 1 124 GLN 5.06 2.88 1 125 MET 5.96 3.96 1 126 ASP 3.93 3.41 1 127 ASN 3.76 2.93 1 128 ALA 3.05 2.24 1 129 LYS 4.43 2.94 1 130 ARG 4.81 4.05 1 131 MET 0.33 1.27 1 132 GLU 3.73 3.51 1 133 THR 5.61 4.98 1 134 LYS 0.28 -0.02 1 136 ALA -1.85 -0.05 1 138 VAL -4.35 -1.52 1 139 THR 1.17 0.85 1 140 LEU -4.82 -1.72 1 141 ASN -1.03 -1.63 1 142 VAL 4.27 3.21 1 143 LEU 3.48 2.29 1 144 GLU -2.47 -0.54 1 145 MET 1.03 1.70 1 146 THR -4.96 -2.08 1 147 SER 3.56 2.84 1 148 GLU 4.29 3.69 1 149 ASP 3.12 3.58 1 150 LEU 5.52 2.78 1 151 GLU 3.66 3.57 1 152 ASN 4.06 3.14 1 153 ALA 2.73 3.01 1 154 LEU 3.04 2.64 1 155 LYS 5.61 4.60 1 156 ALA 4.70 3.39 1 157 VAL 4.79 2.90 1 158 ILE 3.97 3.78 1 159 ASN 1.12 2.40 1 160 ASP 0.23 -0.19 1 161 LYS 3.50 2.65 1 162 SER 5.53 3.96 1 163 TYR 5.39 4.31 1 164 LYS 3.48 2.84 1 165 GLU 4.06 3.48 1 166 ASN 4.40 3.29 1 167 ILE 4.88 3.88 1 168 MET 4.73 2.98 1 169 ARG 4.45 3.52 1 170 LEU 3.53 2.43 1 171 SER 2.54 2.87 1 172 SER 2.38 2.30 1 173 LEU 1.84 1.68 1 174 HIS 0.50 2.24 1 175 LYS 1.89 1.41 1 176 ASP 0.83 1.16 1 177 GLU 1.08 1.05 1 178 ASN 0.91 1.08 1 179 LEU 1.31 0.68 1 180 TYR 0.66 0.66 1 181 PHE 0.23 0.15 1 182 GLN 0.94 2.11 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27446_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.69 _LACS_plot.Line_1_terminator_val_y_1 3.91 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.60 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.97 _LACS_plot.Line_2_terminator_val_x_2 6.34 _LACS_plot.Line_2_terminator_val_y_2 -1.53 _LACS_plot.Y_axis_chem_shift_offset -0.40 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 115 MET -5.97 5.80 0 11 LYS 0.19 0.03 1 13 LEU -0.80 0.74 1 14 SER -0.71 0.94 1 15 GLN 4.82 -1.10 1 16 GLU 3.47 -0.92 1 17 PHE 4.60 0.03 1 18 GLU 3.84 -0.36 1 19 ALA 4.75 -1.67 1 20 TYR 2.33 -1.00 1 21 ILE 5.66 -0.99 1 22 ASN 4.35 -0.53 1 23 ALA 2.88 -1.10 1 24 SER 0.95 1.19 1 26 GLU 0.95 -0.52 1 27 HIS 1.30 2.22 1 29 ILE -6.55 4.33 1 30 VAL -4.00 2.71 1 31 VAL -0.45 0.60 1 46 ALA 5.71 -1.71 1 47 MET 3.52 0.35 1 48 ALA 4.22 -1.20 1 49 ILE 5.27 -1.09 1 50 ALA 3.95 -0.92 1 51 ASP 1.90 1.41 1 52 ALA 2.82 0.37 1 53 LEU 3.69 -1.25 1 55 LYS 0.82 -0.73 1 56 ILE 0.75 -1.08 1 58 GLN 3.09 -0.50 1 59 THR 0.57 1.02 1 60 VAL -0.66 -0.19 1 61 LEU -1.15 -0.39 1 62 TRP -6.69 2.16 1 63 ARG 1.76 -2.25 1 64 TYR -1.31 1.71 1 65 THR -0.45 -0.29 1 67 THR 2.79 -0.68 1 68 ARG 0.89 0.20 1 70 SER 3.59 -0.92 1 71 ASN 1.46 -1.98 1 72 LEU 1.63 0.23 1 73 ALA -2.74 2.21 1 74 ASN 2.97 -0.51 1 75 ASN 1.54 -0.58 1 76 THR 1.62 -0.27 1 77 ILE -1.35 0.01 1 78 LEU 0.50 -1.40 1 79 VAL -5.73 2.31 1 80 LYS 1.78 -0.39 1 81 TRP -1.64 1.79 1 82 LEU -1.87 1.46 1 84 GLN 4.66 1.66 1 85 ASN 5.05 -0.52 1 86 ASP 3.37 -0.03 1 87 LEU 3.04 -0.48 1 88 LEU 4.36 -1.28 1 90 HIS 0.64 3.10 1 92 MET 1.56 -2.91 1 93 THR 5.74 -2.90 1 94 ARG -1.46 0.64 1 95 ALA -3.17 2.46 1 100 ALA 3.88 -3.32 1 102 SER -0.55 0.84 1 103 HIS 4.59 0.89 1 105 VAL 6.35 -1.67 1 106 TYR 5.36 -0.98 1 107 GLU 4.00 -0.40 1 108 SER 5.69 1.12 1 109 ILE 5.55 -0.87 1 111 ASN -0.85 2.38 1 113 VAL -1.46 1.22 1 116 VAL 1.03 -0.60 1 117 MET -2.17 1.75 1 118 MET -1.64 1.40 1 120 LEU -1.00 2.19 1 121 PHE -3.36 2.51 1 123 ASP 3.67 -1.35 1 124 GLN 5.06 -2.18 1 125 MET 5.96 -2.00 1 126 ASP 3.93 -0.52 1 127 ASN 3.76 -0.83 1 128 ALA 3.05 -0.81 1 129 LYS 4.43 -1.49 1 130 ARG 4.81 -0.76 1 131 MET 0.33 0.94 1 132 GLU 3.73 -0.22 1 133 THR 5.61 -0.63 1 134 LYS 0.28 -0.30 1 136 ALA -1.85 1.80 1 138 VAL -4.35 2.83 1 139 THR 1.17 -0.32 1 140 LEU -4.82 3.10 1 141 ASN -1.03 -0.60 1 142 VAL 4.27 -1.06 1 143 LEU 3.48 -1.19 1 144 GLU -2.47 1.93 1 145 MET 1.03 0.67 1 146 THR -4.96 2.88 1 147 SER 3.56 -0.72 1 148 GLU 4.29 -0.60 1 149 ASP 3.12 0.46 1 150 LEU 5.52 -2.74 1 151 GLU 3.66 -0.09 1 152 ASN 4.06 -0.92 1 153 ALA 2.73 0.28 1 154 LEU 3.04 -0.40 1 155 LYS 5.61 -1.01 1 156 ALA 4.70 -1.31 1 157 VAL 4.79 -1.89 1 158 ILE 3.97 -0.19 1 159 ASN 1.12 1.28 1 160 ASP 0.23 -0.42 1 161 LYS 3.50 -0.85 1 162 SER 5.53 -1.57 1 163 TYR 5.39 -1.08 1 164 LYS 3.48 -0.64 1 165 GLU 4.06 -0.58 1 166 ASN 4.40 -1.11 1 167 ILE 4.88 -1.00 1 168 MET 4.73 -1.75 1 169 ARG 4.45 -0.93 1 170 LEU 3.53 -1.10 1 171 SER 2.54 0.33 1 172 SER 2.38 -0.08 1 173 LEU 1.84 -0.16 1 174 HIS 0.50 1.74 1 175 LYS 1.89 -0.48 1 176 ASP 0.83 0.33 1 177 GLU 1.08 -0.03 1 178 ASN 0.91 0.17 1 179 LEU 1.31 -0.63 1 180 TYR 0.66 0.00 1 181 PHE 0.23 -0.08 1 182 GLN 0.94 1.17 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27446_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.69 _LACS_plot.Line_1_terminator_val_y_1 -2.84 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.69 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.10 _LACS_plot.Line_2_terminator_val_x_2 6.34 _LACS_plot.Line_2_terminator_val_y_2 2.53 _LACS_plot.Y_axis_chem_shift_offset 0.18 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 62 TRP -6.69 -1.63 0 146 THR -4.96 0.95 0 115 MET -5.97 -0.23 0 29 ILE -6.55 -0.64 0 11 LYS 0.19 -0.36 1 14 SER -0.71 0.72 1 15 GLN 4.82 2.10 1 16 GLU 3.47 0.75 1 17 PHE 4.60 2.23 1 18 GLU 3.84 2.06 1 19 ALA 4.75 3.74 1 20 TYR 2.33 3.07 1 21 ILE 5.66 4.71 1 22 ASN 4.35 0.08 1 23 ALA 2.88 0.45 1 24 SER 0.95 0.06 1 26 GLU 0.95 0.62 1 27 HIS 1.30 4.68 1 30 VAL -4.00 -2.03 1 31 VAL -0.45 -3.00 1 46 ALA 5.71 1.74 1 47 MET 3.52 2.83 1 48 ALA 4.22 1.97 1 49 ILE 5.27 0.50 1 50 ALA 3.95 2.76 1 51 ASP 1.90 1.50 1 52 ALA 2.82 2.31 1 53 LEU 3.69 0.92 1 55 LYS 0.82 -0.55 1 56 ILE 0.75 -0.57 1 58 GLN 3.09 -1.63 1 59 THR 0.57 -1.23 1 60 VAL -0.66 -2.30 1 63 ARG 1.76 -3.22 1 64 TYR -1.31 -1.11 1 67 THR 2.79 0.49 1 68 ARG 0.89 -0.36 1 71 ASN 1.46 -0.80 1 72 LEU 1.63 -0.65 1 73 ALA -2.74 1.24 1 74 ASN 2.97 -0.12 1 75 ASN 1.54 -1.17 1 76 THR 1.62 -3.17 1 77 ILE -1.35 -1.53 1 78 LEU 0.50 0.03 1 79 VAL -5.73 -1.27 1 80 LYS 1.78 -0.23 1 81 TRP -1.64 -2.82 1 82 LEU -1.87 -2.40 1 84 GLN 4.66 -0.03 1 85 ASN 5.05 2.65 1 86 ASP 3.37 2.77 1 87 LEU 3.04 2.71 1 88 LEU 4.36 -1.20 1 90 HIS 0.64 3.56 1 92 MET 1.56 0.37 1 94 ARG -1.46 -0.36 1 95 ALA -3.17 -4.14 1 100 ALA 3.88 -0.83 1 102 SER -0.55 0.69 1 103 HIS 4.59 3.34 1 105 VAL 6.35 1.09 1 106 TYR 5.36 2.15 1 107 GLU 4.00 3.30 1 108 SER 5.69 4.18 1 109 ILE 5.55 3.08 1 111 ASN -0.85 -1.14 1 113 VAL -1.46 -1.89 1 116 VAL 1.03 -2.06 1 117 MET -2.17 -2.27 1 118 MET -1.64 -3.28 1 120 LEU -1.00 -0.48 1 121 PHE -3.36 0.48 1 124 GLN 5.06 2.53 1 126 ASP 3.93 2.61 1 127 ASN 3.76 2.23 1 128 ALA 3.05 1.49 1 129 LYS 4.43 3.56 1 130 ARG 4.81 2.90 1 132 GLU 3.73 4.99 1 133 THR 5.61 1.50 1 134 LYS 0.28 -0.52 1 136 ALA -1.85 -2.63 1 138 VAL -4.35 -2.30 1 139 THR 1.17 -0.62 1 140 LEU -4.82 -2.52 1 141 ASN -1.03 0.82 1 142 VAL 4.27 -0.36 1 143 LEU 3.48 1.07 1 144 GLU -2.47 0.27 1 145 MET 1.03 -1.04 1 148 GLU 4.29 1.43 1 149 ASP 3.12 3.14 1 150 LEU 5.52 -0.78 1 151 GLU 3.66 1.17 1 152 ASN 4.06 3.09 1 153 ALA 2.73 0.44 1 154 LEU 3.04 0.35 1 155 LYS 5.61 2.81 1 156 ALA 4.70 0.45 1 157 VAL 4.79 0.81 1 158 ILE 3.97 1.15 1 159 ASN 1.12 0.24 1 160 ASP 0.23 1.48 1 161 LYS 3.50 -0.17 1 162 SER 5.53 1.72 1 163 TYR 5.39 2.00 1 164 LYS 3.48 1.56 1 165 GLU 4.06 3.39 1 166 ASN 4.40 4.09 1 167 ILE 4.88 1.15 1 168 MET 4.73 3.46 1 169 ARG 4.45 2.67 1 170 LEU 3.53 1.18 1 173 LEU 1.84 0.31 1 174 HIS 0.50 1.86 1 175 LYS 1.89 0.10 1 176 ASP 0.83 0.22 1 177 GLU 1.08 -0.17 1 178 ASN 0.91 0.09 1 179 LEU 1.31 -0.76 1 180 TYR 0.66 -0.64 1 181 PHE 0.23 -1.31 1 182 GLN 0.94 4.38 1 stop_ save_