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 bmr18681_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -4.57 _LACS_plot.Line_1_terminator_val_y_1 -2.31 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.07 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.36 _LACS_plot.Line_2_terminator_val_x_2 7.34 _LACS_plot.Line_2_terminator_val_y_2 5.68 _LACS_plot.Y_axis_chem_shift_offset -0.09 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 14 PHE -2.72 -5.48 0 10 LEU -1.32 -0.04 1 12 ALA 3.74 2.56 1 13 GLN 4.08 2.74 1 15 LYS 5.01 4.05 1 16 SER 3.90 2.80 1 17 ILE 0.46 -0.43 1 18 GLN 4.56 4.19 1 19 HIS 2.20 3.36 1 20 HIS 6.16 7.33 1 21 LEU 3.62 2.63 1 22 ARG 4.62 3.53 1 23 THR 6.82 5.27 1 24 ALA 4.26 4.17 1 25 GLN 3.34 2.36 1 26 GLU 2.14 1.56 1 27 HIS 4.03 4.08 1 28 ASP 5.49 4.74 1 29 LYS 0.84 0.45 1 30 ARG 0.23 1.99 1 31 ASP -0.03 0.00 1 33 VAL 6.10 4.32 1 34 VAL 5.09 4.63 1 35 ALA 3.36 3.52 1 36 TYR 4.80 4.14 1 37 TYR 6.98 5.93 1 40 LEU 3.39 3.08 1 41 TYR 3.37 3.52 1 42 ALA 3.35 2.66 1 44 GLN 4.70 3.22 1 45 THR 6.89 4.73 1 47 MET 3.19 2.74 1 48 LYS 2.32 1.75 1 49 ILE 3.47 3.76 1 50 ASP 1.34 1.19 1 51 SER -2.09 -1.76 1 53 THR 3.77 2.04 1 55 GLU 4.41 3.27 1 58 LYS 3.97 3.00 1 59 PHE 5.36 5.40 1 60 LEU 4.08 2.87 1 61 SER 4.56 3.35 1 62 LYS 3.16 0.94 1 63 LEU 3.79 2.61 1 64 MET 4.52 3.24 1 65 ASP 4.33 3.19 1 68 GLU 3.05 2.57 1 69 ALA 3.39 2.44 1 70 LEU 2.43 2.65 1 73 GLN 2.74 2.38 1 74 LEU -0.03 -0.05 1 76 ASP 0.34 -1.05 1 77 ASN -0.20 0.96 1 78 GLU 2.49 2.29 1 79 ALA 0.47 0.72 1 80 ILE 0.76 -1.40 1 81 THR 2.75 1.71 1 83 GLU 4.69 4.14 1 84 ILE 3.85 2.81 1 85 VAL 4.79 3.03 1 88 ALA 3.82 2.40 1 89 HIS 3.14 4.59 1 90 LEU 3.83 2.86 1 91 GLU 3.56 3.53 1 92 ASN 3.62 3.18 1 93 TYR 1.65 1.44 1 94 ALA 4.16 2.84 1 96 LYS 4.68 3.68 1 97 MET 3.57 3.62 1 98 PHE 4.23 4.56 1 99 LEU 3.60 2.57 1 100 TYR 4.01 2.61 1 101 ALA 5.59 2.54 1 102 ASP 1.05 2.85 1 103 ASN 3.86 3.29 1 105 ASP 0.67 3.31 1 106 ARG 3.97 3.15 1 107 ALA -0.56 -1.09 1 115 ILE 5.41 5.77 1 116 LYS 4.18 3.18 1 117 SER 5.54 4.87 1 118 PHE 4.19 3.48 1 119 TYR 4.66 4.36 1 120 THR 7.35 5.59 1 121 ALA 5.79 4.01 1 122 SER 4.98 4.23 1 123 LEU 2.78 2.00 1 124 LEU 2.44 1.87 1 125 ILE 6.03 4.00 1 126 ASP 5.53 3.80 1 127 VAL 5.81 3.41 1 128 ILE 3.99 3.12 1 129 THR 3.05 3.01 1 130 VAL 3.61 2.02 1 131 PHE 0.71 0.14 1 133 GLU -0.38 -0.10 1 134 LEU -2.53 -0.93 1 135 THR -1.94 -1.35 1 136 ASP 3.79 3.21 1 137 GLU 3.62 2.90 1 138 ASN 3.44 2.44 1 139 VAL 6.10 4.97 1 140 LYS 4.55 3.49 1 141 HIS 3.16 2.66 1 143 LYS 3.48 3.17 1 144 TYR 3.81 4.55 1 145 ALA 2.62 2.28 1 146 ARG 4.17 3.67 1 147 TRP 4.51 3.50 1 148 LYS 4.45 2.20 1 149 ALA 4.07 3.41 1 150 THR 5.43 4.48 1 151 TYR 2.98 2.43 1 152 ILE 5.40 4.79 1 153 HIS 3.93 5.29 1 154 ASN 4.20 2.88 1 156 LEU 4.94 2.74 1 157 LYS 3.52 2.27 1 160 GLU -4.57 -2.50 1 164 ALA -1.29 -0.08 1 167 VAL -0.44 -0.31 1 169 ILE 0.16 -0.13 1 170 GLU 0.09 0.03 1 171 GLU -0.71 -0.27 1 172 ASP 0.07 -0.08 1 173 ASN -0.70 0.02 1 174 ASP -0.19 -0.15 1 175 ILE -0.24 -0.25 1 176 GLU -0.65 -0.14 1 177 GLU -0.32 -0.01 1 178 ASN -0.34 0.03 1 179 GLU 0.01 0.38 1 181 ALA 0.50 0.24 1 183 ALA 0.27 1.08 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18681_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -4.57 _LACS_plot.Line_1_terminator_val_y_1 2.26 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.93 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.64 _LACS_plot.Line_2_terminator_val_x_2 7.34 _LACS_plot.Line_2_terminator_val_y_2 -1.66 _LACS_plot.Y_axis_chem_shift_offset -0.09 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 14 PHE -2.72 -2.76 0 10 LEU -1.32 1.28 1 12 ALA 3.74 -1.18 1 13 GLN 4.08 -1.34 1 15 LYS 5.01 -0.96 1 16 SER 3.90 -1.10 1 17 ILE 0.46 -0.89 1 18 GLN 4.56 -0.37 1 19 HIS 2.20 1.16 1 20 HIS 6.16 1.17 1 21 LEU 3.62 -0.99 1 22 ARG 4.62 -1.09 1 23 THR 6.82 -1.55 1 24 ALA 4.26 -0.09 1 25 GLN 3.34 -0.98 1 26 GLU 2.14 -0.58 1 27 HIS 4.03 0.05 1 28 ASP 5.49 -0.75 1 29 LYS 0.84 -0.39 1 30 ARG 0.23 1.76 1 31 ASP -0.03 0.03 1 33 VAL 6.10 -1.78 1 34 VAL 5.09 -0.46 1 35 ALA 3.36 0.16 1 36 TYR 4.80 -0.66 1 37 TYR 6.98 -1.05 1 40 LEU 3.39 -0.31 1 41 TYR 3.37 0.15 1 42 ALA 3.35 -0.69 1 44 GLN 4.70 -1.48 1 45 THR 6.89 -2.16 1 47 MET 3.19 -0.45 1 48 LYS 2.32 -0.57 1 49 ILE 3.47 0.29 1 50 ASP 1.34 -0.15 1 51 SER -2.09 0.33 1 53 THR 3.77 -1.73 1 55 GLU 4.41 -1.14 1 58 LYS 3.97 -0.97 1 59 PHE 5.36 0.04 1 60 LEU 4.08 -1.21 1 61 SER 4.56 -1.21 1 62 LYS 3.16 -2.22 1 63 LEU 3.79 -1.18 1 64 MET 4.52 -1.28 1 65 ASP 4.33 -1.14 1 68 GLU 3.05 -0.48 1 69 ALA 3.39 -0.95 1 70 LEU 2.43 0.22 1 73 GLN 2.74 -0.36 1 74 LEU -0.03 -0.02 1 76 ASP 0.34 -1.39 1 77 ASN -0.20 1.16 1 78 GLU 2.49 -0.20 1 79 ALA 0.47 0.25 1 80 ILE 0.76 -2.16 1 81 THR 2.75 -1.04 1 83 GLU 4.69 -0.55 1 84 ILE 3.85 -1.04 1 85 VAL 4.79 -1.76 1 88 ALA 3.82 -1.42 1 89 HIS 3.14 1.45 1 90 LEU 3.83 -0.97 1 91 GLU 3.56 -0.03 1 92 ASN 3.62 -0.44 1 93 TYR 1.65 -0.21 1 94 ALA 4.16 -1.32 1 96 LYS 4.68 -1.00 1 97 MET 3.57 0.05 1 98 PHE 4.23 0.33 1 99 LEU 3.60 -1.03 1 100 TYR 4.01 -1.40 1 101 ALA 5.59 -3.05 1 102 ASP 1.05 1.80 1 103 ASN 3.86 -0.57 1 105 ASP 0.67 2.64 1 106 ARG 3.97 -0.82 1 107 ALA -0.56 -0.53 1 115 ILE 5.41 0.36 1 116 LYS 4.18 -1.00 1 117 SER 5.54 -0.67 1 118 PHE 4.19 -0.71 1 119 TYR 4.66 -0.30 1 120 THR 7.35 -1.76 1 121 ALA 5.79 -1.78 1 122 SER 4.98 -0.75 1 123 LEU 2.78 -0.78 1 124 LEU 2.44 -0.57 1 125 ILE 6.03 -2.03 1 126 ASP 5.53 -1.73 1 127 VAL 5.81 -2.40 1 128 ILE 3.99 -0.87 1 129 THR 3.05 -0.04 1 130 VAL 3.61 -1.59 1 131 PHE 0.71 -0.57 1 133 GLU -0.38 0.28 1 134 LEU -2.53 1.60 1 135 THR -1.94 0.59 1 136 ASP 3.79 -0.58 1 137 GLU 3.62 -0.72 1 138 ASN 3.44 -1.00 1 139 VAL 6.10 -1.13 1 140 LYS 4.55 -1.06 1 141 HIS 3.16 -0.50 1 143 LYS 3.48 -0.31 1 144 TYR 3.81 0.74 1 145 ALA 2.62 -0.34 1 146 ARG 4.17 -0.50 1 147 TRP 4.51 -1.01 1 148 LYS 4.45 -2.25 1 149 ALA 4.07 -0.66 1 150 THR 5.43 -0.95 1 151 TYR 2.98 -0.55 1 152 ILE 5.40 -0.61 1 153 HIS 3.93 1.36 1 154 ASN 4.20 -1.32 1 156 LEU 4.94 -2.20 1 157 LYS 3.52 -1.25 1 160 GLU -4.57 2.07 1 164 ALA -1.29 1.21 1 167 VAL -0.44 0.13 1 169 ILE 0.16 -0.29 1 170 GLU 0.09 -0.06 1 171 GLU -0.71 0.44 1 172 ASP 0.07 -0.15 1 173 ASN -0.70 0.72 1 174 ASP -0.19 0.04 1 175 ILE -0.24 -0.01 1 176 GLU -0.65 0.51 1 177 GLU -0.32 0.31 1 178 ASN -0.34 0.37 1 179 GLU 0.01 0.37 1 181 ALA 0.50 -0.26 1 183 ALA 0.27 0.81 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18681_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -4.57 _LACS_plot.Line_1_terminator_val_y_1 0.13 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.27 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.02 _LACS_plot.Line_2_terminator_val_x_2 7.34 _LACS_plot.Line_2_terminator_val_y_2 -0.62 _LACS_plot.Y_axis_chem_shift_offset 0.15 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 17 ILE 0.46 1.83 0 10 LEU -1.32 -0.94 1 12 ALA 3.74 -0.40 1 13 GLN 4.08 -0.32 1 14 PHE -2.72 0.25 1 15 LYS 5.01 -0.47 1 16 SER 3.90 -0.15 1 18 GLN 4.56 -0.46 1 19 HIS 2.20 -0.18 1 20 HIS 6.16 -0.77 1 21 LEU 3.62 -0.24 1 22 ARG 4.62 -0.11 1 23 THR 6.82 -0.24 1 24 ALA 4.26 -0.39 1 25 GLN 3.34 0.04 1 26 GLU 2.14 -0.26 1 27 HIS 4.03 -0.35 1 28 ASP 5.49 -0.31 1 29 LYS 0.84 0.07 1 30 ARG 0.23 -0.10 1 31 ASP -0.03 -0.06 1 33 VAL 6.10 -0.64 1 34 VAL 5.09 -0.56 1 35 ALA 3.36 -0.41 1 36 TYR 4.80 -0.72 1 37 TYR 6.98 -0.50 1 40 LEU 3.39 -0.53 1 41 TYR 3.37 -0.82 1 42 ALA 3.35 -0.84 1 44 GLN 4.70 -0.57 1 45 THR 6.89 -0.87 1 47 MET 3.19 -0.60 1 48 LYS 2.32 -0.31 1 49 ILE 3.47 -0.45 1 50 ASP 1.34 -0.15 1 51 SER -2.09 0.10 1 53 THR 3.77 -0.34 1 55 GLU 4.41 -0.33 1 58 LYS 3.97 -0.26 1 59 PHE 5.36 -0.87 1 60 LEU 4.08 -0.35 1 61 SER 4.56 -0.28 1 62 LYS 3.16 -0.17 1 63 LEU 3.79 -0.41 1 64 MET 4.52 -0.34 1 65 ASP 4.33 -0.27 1 68 GLU 3.05 -0.33 1 69 ALA 3.39 -0.19 1 70 LEU 2.43 -0.32 1 73 GLN 2.74 -0.31 1 74 LEU -0.03 -0.08 1 76 ASP 0.34 -0.11 1 77 ASN -0.20 -0.25 1 78 GLU 2.49 -0.13 1 79 ALA 0.47 -0.24 1 80 ILE 0.76 -0.13 1 81 THR 2.75 -0.27 1 83 GLU 4.69 -0.34 1 84 ILE 3.85 -0.41 1 85 VAL 4.79 -0.41 1 88 ALA 3.82 -0.21 1 89 HIS 3.14 -0.56 1 90 LEU 3.83 -0.39 1 91 GLU 3.56 -0.55 1 92 ASN 3.62 -0.33 1 93 TYR 1.65 -0.09 1 94 ALA 4.16 -0.58 1 96 LYS 4.68 -0.35 1 97 MET 3.57 -0.33 1 98 PHE 4.23 -0.93 1 99 LEU 3.60 -0.42 1 100 TYR 4.01 -0.37 1 101 ALA 5.59 -1.40 1 102 ASP 1.05 -0.35 1 103 ASN 3.86 -0.48 1 105 ASP 0.67 -0.82 1 106 ARG 3.97 -0.54 1 107 ALA -0.56 -0.09 1 115 ILE 5.41 -0.52 1 116 LYS 4.18 -0.17 1 117 SER 5.54 -0.37 1 118 PHE 4.19 -0.21 1 119 TYR 4.66 -0.61 1 120 THR 7.35 -0.64 1 121 ALA 5.79 -0.38 1 122 SER 4.98 -0.46 1 123 LEU 2.78 -0.25 1 124 LEU 2.44 -0.40 1 125 ILE 6.03 -0.45 1 126 ASP 5.53 -0.51 1 127 VAL 5.81 -1.13 1 128 ILE 3.99 -0.21 1 129 THR 3.05 0.29 1 130 VAL 3.61 -0.11 1 131 PHE 0.71 -0.05 1 133 GLU -0.38 -0.27 1 134 LEU -2.53 0.07 1 135 THR -1.94 -0.13 1 136 ASP 3.79 -0.45 1 137 GLU 3.62 -0.68 1 138 ASN 3.44 -0.25 1 139 VAL 6.10 -0.74 1 140 LYS 4.55 -0.37 1 141 HIS 3.16 -0.43 1 143 LYS 3.48 -0.27 1 144 TYR 3.81 -0.27 1 145 ALA 2.62 -0.65 1 146 ARG 4.17 -0.47 1 147 TRP 4.51 -0.44 1 148 LYS 4.45 -1.11 1 149 ALA 4.07 -0.43 1 150 THR 5.43 -0.63 1 151 TYR 2.98 -0.55 1 152 ILE 5.40 -1.38 1 153 HIS 3.93 -0.77 1 154 ASN 4.20 -0.62 1 156 LEU 4.94 -0.40 1 157 LYS 3.52 -0.42 1 160 GLU -4.57 0.07 1 164 ALA -1.29 0.11 1 167 VAL -0.44 -0.28 1 169 ILE 0.16 -0.40 1 170 GLU 0.09 -0.55 1 171 GLU -0.71 -0.31 1 172 ASP 0.07 -0.09 1 173 ASN -0.70 -0.06 1 174 ASP -0.19 -0.02 1 175 ILE -0.24 -0.16 1 176 GLU -0.65 -0.12 1 177 GLU -0.32 -0.13 1 178 ASN -0.34 -0.07 1 179 GLU 0.01 -0.15 1 181 ALA 0.50 -0.35 1 183 ALA 0.27 -0.32 1 stop_ save_