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 bmr18306_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.73 _LACS_plot.Line_1_terminator_val_y_1 -4.22 _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 -2.07 _LACS_plot.Line_2_terminator_val_x_2 7.74 _LACS_plot.Line_2_terminator_val_y_2 5.00 _LACS_plot.Y_axis_chem_shift_offset 0.59 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 22 VAL -1.52 -5.48 0 10 LEU -1.78 -3.05 1 12 ALA 4.05 2.92 1 14 PHE 3.01 0.11 1 15 PHE 4.77 3.65 1 16 LYS 4.71 3.14 1 17 PHE 1.64 1.31 1 18 GLN 2.90 1.18 1 19 PHE 1.73 0.67 1 23 GLU 0.21 0.40 1 25 SER -3.03 -2.09 1 26 SER 2.43 -0.29 1 30 LYS -1.51 -0.72 1 32 PHE -3.41 -0.87 1 33 LEU -4.03 -0.92 1 35 TYR -6.76 -3.27 1 36 VAL -1.83 -0.33 1 37 VAL -0.73 -0.67 1 38 GLU -3.00 -1.66 1 39 ALA -3.86 -2.70 1 40 GLN -2.59 -1.25 1 45 GLN 1.43 0.18 1 46 VAL -1.08 -0.88 1 47 GLN -1.61 -1.13 1 48 ALA -3.85 -1.97 1 49 SER -2.52 -1.08 1 50 ARG -3.94 -1.67 1 52 TYR -6.72 -2.66 1 53 LEU -5.45 -1.62 1 54 GLU -6.07 -3.40 1 55 ASP -0.56 -0.02 1 56 GLU 0.24 0.22 1 59 ALA -0.74 -1.52 1 60 ALA 0.14 -0.91 1 61 HIS -4.08 -1.34 1 63 GLU 7.09 3.62 1 64 GLU 4.01 2.83 1 65 ALA 4.08 2.02 1 66 PHE 6.72 4.59 1 67 PHE 4.23 2.65 1 68 ASN 1.65 1.02 1 69 THR 0.49 1.10 1 70 ILE 5.00 -0.84 1 71 LEU -2.64 -3.33 1 73 ALA -2.89 -1.94 1 74 PHE -1.34 -1.67 1 75 ASP -3.27 -2.73 1 77 ALA 0.43 -0.42 1 78 LEU -2.42 -2.14 1 79 ARG -0.53 -1.12 1 80 TYR -1.97 -0.35 1 81 ASN -1.18 -0.66 1 82 VAL -1.45 -1.46 1 83 THR -0.94 -0.48 1 84 TRP -8.73 -5.30 1 85 TYR -0.32 -1.35 1 86 VAL -6.03 -4.53 1 92 ALA 5.08 2.80 1 93 ALA 3.89 2.47 1 95 ALA 5.29 3.01 1 96 ASP 3.61 3.29 1 97 ARG 4.95 1.92 1 98 ILE 6.13 4.59 1 99 ILE 6.54 4.85 1 100 LYS 5.15 3.14 1 101 THR 7.49 5.23 1 102 LEU 4.89 2.48 1 103 SER 3.81 2.53 1 104 LYS -0.21 -0.57 1 105 THR 0.96 -1.30 1 107 ASN 3.04 -0.75 1 108 LEU -1.95 -1.20 1 109 ARG -1.86 -1.95 1 110 LEU -5.01 -1.90 1 111 LEU -2.40 -1.90 1 112 ILE -0.18 -0.45 1 113 LEU -0.71 -2.12 1 114 VAL -4.06 -3.86 1 116 ARG -4.00 -2.37 1 118 PHE -2.16 -1.42 1 119 MET 4.56 0.75 1 120 TRP 2.32 0.87 1 121 GLU 2.20 0.32 1 122 GLU -1.82 -3.49 1 124 GLU 4.17 2.50 1 125 ILE 4.47 -0.08 1 126 GLN 7.75 4.19 1 127 ALA 4.04 1.98 1 128 ALA 4.30 2.23 1 129 LEU 5.10 2.69 1 130 LYS 5.43 3.60 1 131 LYS 4.84 2.90 1 132 LEU 4.74 2.92 1 133 LYS 4.55 2.40 1 134 GLU 3.51 1.98 1 135 ALA 0.22 -0.63 1 138 LYS -0.08 -0.87 1 139 LEU -3.67 -1.56 1 140 ARG -4.58 -1.95 1 141 ILE 0.68 -3.58 1 142 MET 0.59 1.98 1 143 LYS -0.17 -2.68 1 145 GLN 5.14 2.87 1 146 ASP 3.61 2.86 1 147 PHE 6.25 5.17 1 148 GLU 4.32 2.50 1 149 TYR 5.29 3.90 1 150 VAL 6.59 3.71 1 151 TRP 3.62 2.17 1 152 GLN 3.34 2.11 1 153 ASN 0.58 1.50 1 154 PHE -0.50 0.10 1 155 VAL 1.16 -1.15 1 156 GLU -1.20 -1.51 1 157 GLN 0.38 -0.65 1 158 GLU -0.10 -0.53 1 159 GLU 2.11 0.65 1 161 GLU -1.18 -1.10 1 162 SER 0.73 -0.48 1 163 LYS 0.09 -0.41 1 164 ALA -0.35 -1.12 1 165 PHE 0.08 -1.18 1 166 GLN -3.73 -5.05 1 170 ASP 2.30 -0.75 1 171 ILE 5.93 3.96 1 172 GLN 4.84 2.52 1 173 GLU 5.90 3.63 1 174 ASN 3.80 2.38 1 175 PHE 5.20 2.56 1 176 LEU 3.87 2.06 1 177 TYR 4.23 2.66 1 178 TYR 5.69 3.87 1 179 GLU 4.75 2.93 1 180 GLU 3.79 2.07 1 181 LYS 4.39 0.51 1 182 LEU 4.64 2.09 1 183 ALA 4.25 1.90 1 184 ASP 2.99 2.38 1 185 ILE 3.76 3.01 1 186 LEU 1.64 -0.56 1 187 LYS 4.17 2.60 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18306_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.73 _LACS_plot.Line_1_terminator_val_y_1 4.51 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.73 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.07 _LACS_plot.Line_2_terminator_val_x_2 7.74 _LACS_plot.Line_2_terminator_val_y_2 -2.74 _LACS_plot.Y_axis_chem_shift_offset 0.59 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 22 VAL -1.52 -3.96 0 10 LEU -1.78 -1.27 1 12 ALA 4.05 -1.13 1 14 PHE 3.01 -2.90 1 15 PHE 4.77 -1.12 1 16 LYS 4.71 -1.57 1 17 PHE 1.64 -0.33 1 18 GLN 2.90 -1.72 1 19 PHE 1.73 -1.06 1 23 GLU 0.21 0.19 1 25 SER -3.03 0.94 1 26 SER 2.43 -2.72 1 30 LYS -1.51 0.79 1 32 PHE -3.41 2.54 1 33 LEU -4.03 3.11 1 35 TYR -6.76 3.49 1 36 VAL -1.83 1.50 1 37 VAL -0.73 0.06 1 38 GLU -3.00 1.34 1 39 ALA -3.86 1.16 1 40 GLN -2.59 1.34 1 45 GLN 1.43 -1.25 1 46 VAL -1.08 0.20 1 47 GLN -1.61 0.48 1 48 ALA -3.85 1.88 1 49 SER -2.52 1.44 1 50 ARG -3.94 2.27 1 52 TYR -6.72 4.06 1 53 LEU -5.45 3.83 1 54 GLU -6.07 2.67 1 55 ASP -0.56 0.54 1 56 GLU 0.24 -0.02 1 59 ALA -0.74 -0.78 1 60 ALA 0.14 -1.05 1 61 HIS -4.08 2.74 1 63 GLU 7.09 -3.47 1 64 GLU 4.01 -1.18 1 65 ALA 4.08 -2.06 1 66 PHE 6.72 -2.13 1 67 PHE 4.23 -1.58 1 68 ASN 1.65 -0.63 1 69 THR 0.49 0.61 1 70 ILE 5.00 -5.84 1 71 LEU -2.64 -0.69 1 73 ALA -2.89 0.95 1 74 PHE -1.34 -0.33 1 75 ASP -3.27 0.54 1 77 ALA 0.43 -0.85 1 78 LEU -2.42 0.28 1 79 ARG -0.53 -0.59 1 80 TYR -1.97 1.62 1 81 ASN -1.18 0.52 1 82 VAL -1.45 -0.01 1 83 THR -0.94 0.46 1 84 TRP -8.73 3.43 1 85 TYR -0.32 -1.03 1 86 VAL -6.03 1.50 1 92 ALA 5.08 -2.28 1 93 ALA 3.89 -1.42 1 95 ALA 5.29 -2.28 1 96 ASP 3.61 -0.32 1 97 ARG 4.95 -3.03 1 98 ILE 6.13 -1.54 1 99 ILE 6.54 -1.69 1 100 LYS 5.15 -2.01 1 101 THR 7.49 -2.26 1 102 LEU 4.89 -2.41 1 103 SER 3.81 -1.28 1 104 LYS -0.21 -0.36 1 105 THR 0.96 -2.26 1 107 ASN 3.04 -3.79 1 108 LEU -1.95 0.75 1 109 ARG -1.86 -0.09 1 110 LEU -5.01 3.11 1 111 LEU -2.40 0.50 1 112 ILE -0.18 -0.27 1 113 LEU -0.71 -1.41 1 114 VAL -4.06 0.20 1 116 ARG -4.00 1.63 1 118 PHE -2.16 0.74 1 119 MET 4.56 -3.81 1 120 TRP 2.32 -1.45 1 121 GLU 2.20 -1.88 1 122 GLU -1.82 -1.67 1 124 GLU 4.17 -1.67 1 125 ILE 4.47 -4.55 1 126 GLN 7.75 -3.56 1 127 ALA 4.04 -2.06 1 128 ALA 4.30 -2.07 1 129 LEU 5.10 -2.41 1 130 LYS 5.43 -1.83 1 131 LYS 4.84 -1.94 1 132 LEU 4.74 -1.82 1 133 LYS 4.55 -2.15 1 134 GLU 3.51 -1.53 1 135 ALA 0.22 -0.85 1 138 LYS -0.08 -0.79 1 139 LEU -3.67 2.11 1 140 ARG -4.58 2.63 1 141 ILE 0.68 -4.26 1 142 MET 0.59 1.39 1 143 LYS -0.17 -2.51 1 145 GLN 5.14 -2.27 1 146 ASP 3.61 -0.75 1 147 PHE 6.25 -1.08 1 148 GLU 4.32 -1.82 1 149 TYR 5.29 -1.39 1 150 VAL 6.59 -2.88 1 151 TRP 3.62 -1.45 1 152 GLN 3.34 -1.23 1 153 ASN 0.58 0.92 1 154 PHE -0.50 0.60 1 155 VAL 1.16 -2.31 1 156 GLU -1.20 -0.31 1 157 GLN 0.38 -1.03 1 158 GLU -0.10 -0.43 1 159 GLU 2.11 -1.46 1 161 GLU -1.18 0.08 1 162 SER 0.73 -1.21 1 163 LYS 0.09 -0.50 1 164 ALA -0.35 -0.77 1 165 PHE 0.08 -1.26 1 166 GLN -3.73 -1.32 1 170 ASP 2.30 -3.05 1 171 ILE 5.93 -1.97 1 172 GLN 4.84 -2.32 1 173 GLU 5.90 -2.27 1 174 ASN 3.80 -1.42 1 175 PHE 5.20 -2.64 1 176 LEU 3.87 -1.81 1 177 TYR 4.23 -1.57 1 178 TYR 5.69 -1.82 1 179 GLU 4.75 -1.82 1 180 GLU 3.79 -1.72 1 181 LYS 4.39 -3.88 1 182 LEU 4.64 -2.55 1 183 ALA 4.25 -2.35 1 184 ASP 2.99 -0.61 1 185 ILE 3.76 -0.75 1 186 LEU 1.64 -2.20 1 187 LYS 4.17 -1.57 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18306_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.73 _LACS_plot.Line_1_terminator_val_y_1 -4.14 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.50 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.45 _LACS_plot.Line_2_terminator_val_x_2 7.74 _LACS_plot.Line_2_terminator_val_y_2 3.08 _LACS_plot.Y_axis_chem_shift_offset 0.44 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 154 PHE -0.50 6.62 0 10 LEU -1.78 -3.22 1 12 ALA 4.05 1.95 1 14 PHE 3.01 2.09 1 15 PHE 4.77 0.53 1 16 LYS 4.71 0.55 1 17 PHE 1.64 1.54 1 18 GLN 2.90 1.07 1 19 PHE 1.73 -0.72 1 22 VAL -1.52 -0.35 1 23 GLU 0.21 -0.85 1 25 SER -3.03 -1.55 1 26 SER 2.43 -1.63 1 30 LYS -1.51 -0.31 1 33 LEU -4.03 -2.51 1 35 TYR -6.76 -2.46 1 36 VAL -1.83 -0.26 1 37 VAL -0.73 -1.39 1 38 GLU -3.00 -2.05 1 39 ALA -3.86 -1.64 1 40 GLN -2.59 -0.42 1 45 GLN 1.43 -0.27 1 46 VAL -1.08 -0.72 1 47 GLN -1.61 -1.48 1 48 ALA -3.85 -0.85 1 49 SER -2.52 -1.81 1 50 ARG -3.94 -1.54 1 52 TYR -6.72 -2.61 1 53 LEU -5.45 -3.40 1 54 GLU -6.07 -1.05 1 55 ASP -0.56 -0.16 1 56 GLU 0.24 0.64 1 59 ALA -0.74 -1.81 1 60 ALA 0.14 -1.44 1 61 HIS -4.08 3.32 1 63 GLU 7.09 1.83 1 64 GLU 4.01 2.11 1 65 ALA 4.08 2.98 1 66 PHE 6.72 0.91 1 67 PHE 4.23 -0.64 1 68 ASN 1.65 1.76 1 69 THR 0.49 -0.89 1 70 ILE 5.00 -0.48 1 71 LEU -2.64 -5.84 1 73 ALA -2.89 -2.60 1 74 PHE -1.34 -0.76 1 75 ASP -3.27 0.34 1 77 ALA 0.43 -0.12 1 78 LEU -2.42 -1.61 1 79 ARG -0.53 -0.76 1 80 TYR -1.97 -1.21 1 81 ASN -1.18 -0.76 1 82 VAL -1.45 -2.10 1 83 THR -0.94 -1.36 1 84 TRP -8.73 -1.88 1 85 TYR -0.32 -0.11 1 86 VAL -6.03 -0.58 1 92 ALA 5.08 1.88 1 93 ALA 3.89 3.82 1 95 ALA 5.29 0.80 1 96 ASP 3.61 2.30 1 97 ARG 4.95 3.39 1 98 ILE 6.13 1.08 1 99 ILE 6.54 2.47 1 100 LYS 5.15 2.99 1 101 THR 7.49 4.89 1 102 LEU 4.89 1.55 1 103 SER 3.81 0.50 1 104 LYS -0.21 -0.29 1 105 THR 0.96 -0.69 1 107 ASN 3.04 1.70 1 108 LEU -1.95 -3.56 1 109 ARG -1.86 -2.67 1 110 LEU -5.01 -4.64 1 111 LEU -2.40 -4.04 1 112 ILE -0.18 -3.44 1 113 LEU -0.71 -1.44 1 114 VAL -4.06 0.98 1 116 ARG -4.00 -1.67 1 118 PHE -2.16 -2.07 1 119 MET 4.56 -0.78 1 120 TRP 2.32 -0.68 1 121 GLU 2.20 0.79 1 122 GLU -1.82 -0.27 1 124 GLU 4.17 2.90 1 125 ILE 4.47 1.55 1 126 GLN 7.75 2.45 1 127 ALA 4.04 2.18 1 128 ALA 4.30 1.70 1 129 LEU 5.10 1.36 1 130 LYS 5.43 2.80 1 131 LYS 4.84 3.37 1 132 LEU 4.74 0.62 1 133 LYS 4.55 4.82 1 134 GLU 3.51 1.03 1 135 ALA 0.22 -0.70 1 138 LYS -0.08 -2.44 1 139 LEU -3.67 -1.90 1 140 ARG -4.58 -2.19 1 141 ILE 0.68 0.70 1 142 MET 0.59 -1.89 1 143 LYS -0.17 0.64 1 145 GLN 5.14 2.62 1 146 ASP 3.61 1.86 1 147 PHE 6.25 1.53 1 148 GLU 4.32 0.50 1 149 TYR 5.29 3.17 1 150 VAL 6.59 1.33 1 151 TRP 3.62 0.88 1 152 GLN 3.34 2.07 1 153 ASN 0.58 -0.48 1 155 VAL 1.16 -0.73 1 156 GLU -1.20 -1.73 1 157 GLN 0.38 -0.21 1 158 GLU -0.10 0.03 1 159 GLU 2.11 0.59 1 161 GLU -1.18 -0.47 1 162 SER 0.73 0.28 1 163 LYS 0.09 0.47 1 164 ALA -0.35 -0.90 1 165 PHE 0.08 -1.64 1 166 GLN -3.73 -4.19 1 170 ASP 2.30 0.21 1 171 ILE 5.93 0.21 1 172 GLN 4.84 1.34 1 173 GLU 5.90 3.06 1 174 ASN 3.80 1.84 1 175 PHE 5.20 0.54 1 176 LEU 3.87 2.40 1 177 TYR 4.23 1.75 1 178 TYR 5.69 1.67 1 179 GLU 4.75 2.61 1 180 GLU 3.79 2.12 1 181 LYS 4.39 2.64 1 182 LEU 4.64 0.24 1 183 ALA 4.25 2.61 1 184 ASP 2.99 2.04 1 185 ILE 3.76 0.88 1 186 LEU 1.64 -0.94 1 187 LYS 4.17 4.84 1 stop_ save_