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 bmr18988_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -4.22 _LACS_plot.Line_1_terminator_val_y_1 -2.43 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.87 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.42 _LACS_plot.Line_2_terminator_val_x_2 9.55 _LACS_plot.Line_2_terminator_val_y_2 6.72 _LACS_plot.Y_axis_chem_shift_offset 0.10 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 93 HIS -3.94 0.31 0 11 GLN 0.16 0.10 1 12 ASN 0.61 0.30 1 13 LEU -0.67 -0.86 1 14 ARG 7.14 4.63 1 15 SER 6.59 3.30 1 16 GLN 3.45 2.22 1 17 ARG 5.32 4.30 1 18 LEU 4.49 2.66 1 21 LEU 2.59 2.25 1 22 THR -0.52 -1.01 1 35 SER 3.12 2.40 1 36 LYS 1.59 -1.94 1 37 GLU 3.81 2.36 1 39 PHE 0.70 -1.08 1 40 ALA 1.47 1.92 1 41 SER -3.58 -1.83 1 42 ARG 5.64 4.81 1 43 ASP 3.52 3.27 1 44 ASN 4.86 2.74 1 45 PHE 5.33 4.91 1 46 ALA 4.13 2.53 1 47 ARG 6.82 3.00 1 48 PHE 3.59 2.93 1 49 VAL 6.55 3.82 1 50 ALA 4.48 3.19 1 51 ALA 5.29 3.08 1 52 GLN 4.71 3.67 1 53 TYR 4.62 3.48 1 54 LEU 2.99 2.73 1 55 PHE 2.52 2.19 1 56 GLN 4.79 2.42 1 57 HIS 5.10 4.39 1 58 ASP 4.00 3.37 1 59 LEU -0.62 -0.94 1 60 GLU 9.55 7.18 1 62 LEU 4.51 2.21 1 63 TYR 4.18 3.51 1 64 ARG 0.51 -0.76 1 65 ASN 0.52 1.65 1 66 GLU 3.59 3.14 1 67 ALA 3.81 2.57 1 68 LEU 3.61 2.53 1 69 ALA 3.09 1.87 1 70 ARG 2.86 2.01 1 71 LEU 0.00 1.04 1 72 PHE -4.22 -3.43 1 75 LEU 4.42 3.27 1 76 ALA 3.76 2.66 1 77 SER 1.96 1.63 1 78 ARG 1.41 0.35 1 79 ALA 0.55 0.47 1 80 ARG -0.59 -0.70 1 81 ASP 3.69 2.30 1 82 ASP 3.10 2.40 1 83 ALA 4.02 2.66 1 84 ALA 4.95 2.55 1 85 ARG 5.21 3.84 1 86 ALA 4.45 2.44 1 87 ASP 5.88 4.40 1 88 LEU 6.28 3.50 1 89 ALA 3.93 2.32 1 90 ASP 4.65 3.39 1 91 LEU 0.32 -0.23 1 97 GLU -0.72 -0.42 1 99 ASP -2.67 -0.99 1 100 GLN 0.28 -0.49 1 101 SER 3.84 3.40 1 102 VAL 2.34 1.68 1 103 ARG 2.21 2.08 1 104 GLU 0.20 -0.66 1 105 ALA 0.76 0.26 1 106 ASP 0.59 -0.72 1 107 LEU -0.80 -0.30 1 108 SER -1.43 -0.16 1 109 LEU 5.28 3.81 1 110 ALA 2.62 3.12 1 111 GLU 1.71 2.71 1 112 ALA 3.01 2.75 1 113 LEU 4.27 3.02 1 115 TRP 5.89 4.37 1 116 LEU 3.32 2.46 1 117 PHE 4.68 4.23 1 119 SER 3.55 2.95 1 120 GLU 3.85 1.98 1 122 SER 0.79 0.85 1 123 LYS 7.03 6.10 1 131 LYS 4.20 2.70 1 132 LYS 5.88 2.09 1 133 ALA 4.06 1.62 1 134 ALA 3.97 2.25 1 135 ALA 2.81 1.87 1 136 LEU -0.58 -1.32 1 137 GLU 4.62 0.92 1 138 LEU -1.69 -2.08 1 139 ASP 0.12 -0.27 1 140 GLU 4.77 4.51 1 141 ASN -0.97 -0.14 1 142 PHE -2.51 -1.51 1 147 LEU -1.02 -0.47 1 148 ALA -3.37 -1.85 1 149 GLU 3.82 0.23 1 151 GLU 4.58 3.07 1 155 ALA 4.92 3.07 1 156 GLN 0.73 1.75 1 158 TRP 4.55 3.49 1 159 LYS 3.41 2.44 1 160 SER 4.19 3.81 1 161 PHE 5.37 3.24 1 162 VAL 3.58 2.30 1 163 ALA 3.95 2.41 1 164 ILE 3.62 2.90 1 165 LEU 3.58 2.33 1 166 ASP 0.84 1.08 1 168 ILE -0.30 -0.77 1 169 GLU -3.39 -1.91 1 170 LEU -0.25 -1.05 1 171 ASN 4.37 3.78 1 172 GLU 2.97 1.88 1 173 GLU 1.17 2.13 1 174 GLU 3.70 2.49 1 175 GLU 4.64 3.39 1 176 ARG 3.15 2.48 1 177 LEU 5.59 2.95 1 178 ALA 3.78 2.55 1 179 ALA 3.68 3.19 1 180 LYS 2.42 1.72 1 182 ALA 4.53 2.58 1 184 ASP 3.23 2.21 1 185 ALA 3.92 2.69 1 187 ASN 2.39 1.75 1 188 ARG 3.78 3.20 1 191 ASP 3.66 2.78 1 192 LEU 2.57 2.32 1 193 LEU 3.47 2.27 1 194 GLU 4.23 3.20 1 195 ARG 4.81 2.97 1 196 THR 4.02 2.58 1 197 PHE 2.34 2.34 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18988_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -4.22 _LACS_plot.Line_1_terminator_val_y_1 1.79 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.13 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.58 _LACS_plot.Line_2_terminator_val_x_2 9.55 _LACS_plot.Line_2_terminator_val_y_2 -2.83 _LACS_plot.Y_axis_chem_shift_offset 0.10 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 93 HIS -3.94 4.25 0 11 GLN 0.16 -0.06 1 12 ASN 0.61 -0.31 1 13 LEU -0.67 -0.19 1 14 ARG 7.14 -2.51 1 15 SER 6.59 -3.29 1 16 GLN 3.45 -1.23 1 17 ARG 5.32 -1.02 1 18 LEU 4.49 -1.83 1 21 LEU 2.59 -0.34 1 22 THR -0.52 -0.49 1 35 SER 3.12 -0.72 1 36 LYS 1.59 -3.53 1 37 GLU 3.81 -1.45 1 39 PHE 0.70 -1.78 1 40 ALA 1.47 0.45 1 41 SER -3.58 1.75 1 42 ARG 5.64 -0.83 1 43 ASP 3.52 -0.25 1 44 ASN 4.86 -2.12 1 45 PHE 5.33 -0.42 1 46 ALA 4.13 -1.60 1 47 ARG 6.82 -3.82 1 48 PHE 3.59 -0.66 1 49 VAL 6.55 -2.73 1 50 ALA 4.48 -1.29 1 51 ALA 5.29 -2.21 1 52 GLN 4.71 -1.04 1 53 TYR 4.62 -1.14 1 54 LEU 2.99 -0.26 1 55 PHE 2.52 -0.33 1 56 GLN 4.79 -2.37 1 57 HIS 5.10 -0.71 1 58 ASP 4.00 -0.63 1 59 LEU -0.62 -0.32 1 60 GLU 9.55 -2.37 1 62 LEU 4.51 -2.30 1 63 TYR 4.18 -0.67 1 64 ARG 0.51 -1.27 1 65 ASN 0.52 1.13 1 66 GLU 3.59 -0.45 1 67 ALA 3.81 -1.24 1 68 LEU 3.61 -1.08 1 69 ALA 3.09 -1.22 1 70 ARG 2.86 -0.85 1 71 LEU 0.00 1.04 1 72 PHE -4.22 0.79 1 75 LEU 4.42 -1.15 1 76 ALA 3.76 -1.10 1 77 SER 1.96 -0.33 1 78 ARG 1.41 -1.06 1 79 ALA 0.55 -0.08 1 80 ARG -0.59 -0.11 1 81 ASP 3.69 -1.39 1 82 ASP 3.10 -0.70 1 83 ALA 4.02 -1.36 1 84 ALA 4.95 -2.40 1 85 ARG 5.21 -1.37 1 86 ALA 4.45 -2.01 1 87 ASP 5.88 -1.48 1 88 LEU 6.28 -2.78 1 89 ALA 3.93 -1.61 1 90 ASP 4.65 -1.26 1 91 LEU 0.32 -0.55 1 97 GLU -0.72 0.30 1 99 ASP -2.67 1.68 1 100 GLN 0.28 -0.77 1 101 SER 3.84 -0.44 1 102 VAL 2.34 -0.66 1 103 ARG 2.21 -0.13 1 104 GLU 0.20 -0.86 1 105 ALA 0.76 -0.50 1 106 ASP 0.59 -1.31 1 107 LEU -0.80 0.50 1 108 SER -1.43 1.27 1 109 LEU 5.28 -1.47 1 110 ALA 2.62 0.50 1 111 GLU 1.71 1.00 1 112 ALA 3.01 -0.26 1 113 LEU 4.27 -1.25 1 115 TRP 5.89 -1.52 1 116 LEU 3.32 -0.86 1 117 PHE 4.68 -0.45 1 119 SER 3.55 -0.60 1 120 GLU 3.85 -1.87 1 122 SER 0.79 0.06 1 123 LYS 7.03 -0.93 1 131 LYS 4.20 -1.50 1 132 LYS 5.88 -3.79 1 133 ALA 4.06 -2.44 1 134 ALA 3.97 -1.72 1 135 ALA 2.81 -0.94 1 136 LEU -0.58 -0.74 1 137 GLU 4.62 -3.70 1 138 LEU -1.69 -0.39 1 139 ASP 0.12 -0.39 1 140 GLU 4.77 -0.26 1 141 ASN -0.97 0.83 1 142 PHE -2.51 1.00 1 147 LEU -1.02 0.55 1 148 ALA -3.37 1.52 1 149 GLU 3.82 -3.59 1 151 GLU 4.58 -1.51 1 155 ALA 4.92 -1.85 1 156 GLN 0.73 1.02 1 158 TRP 4.55 -1.06 1 159 LYS 3.41 -0.97 1 160 SER 4.19 -0.38 1 161 PHE 5.37 -2.13 1 162 VAL 3.58 -1.28 1 163 ALA 3.95 -1.54 1 164 ILE 3.62 -0.72 1 165 LEU 3.58 -1.25 1 166 ASP 0.84 0.24 1 168 ILE -0.30 -0.47 1 169 GLU -3.39 1.48 1 170 LEU -0.25 -0.80 1 171 ASN 4.37 -0.59 1 172 GLU 2.97 -1.09 1 173 GLU 1.17 0.96 1 174 GLU 3.70 -1.21 1 175 GLU 4.64 -1.25 1 176 ARG 3.15 -0.67 1 177 LEU 5.59 -2.64 1 178 ALA 3.78 -1.23 1 179 ALA 3.68 -0.49 1 180 LYS 2.42 -0.70 1 182 ALA 4.53 -1.95 1 184 ASP 3.23 -1.02 1 185 ALA 3.92 -1.23 1 187 ASN 2.39 -0.64 1 188 ARG 3.78 -0.58 1 191 ASP 3.66 -0.88 1 192 LEU 2.57 -0.25 1 193 LEU 3.47 -1.20 1 194 GLU 4.23 -1.03 1 195 ARG 4.81 -1.84 1 196 THR 4.02 -1.44 1 197 PHE 2.34 0.00 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18988_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -4.22 _LACS_plot.Line_1_terminator_val_y_1 -2.34 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.52 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.13 _LACS_plot.Line_2_terminator_val_x_2 9.55 _LACS_plot.Line_2_terminator_val_y_2 3.56 _LACS_plot.Y_axis_chem_shift_offset 0.36 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 60 GLU 9.55 -0.70 0 11 GLN 0.16 -0.80 1 13 LEU -0.67 -0.30 1 14 ARG 7.14 1.40 1 15 SER 6.59 2.10 1 16 GLN 3.45 2.60 1 17 ARG 5.32 2.80 1 18 LEU 4.49 2.10 1 21 LEU 2.59 1.10 1 35 SER 3.12 0.50 1 36 LYS 1.59 -1.50 1 37 GLU 3.81 -0.10 1 39 PHE 0.70 0.00 1 40 ALA 1.47 -0.30 1 41 SER -3.58 -0.70 1 42 ARG 5.64 0.70 1 43 ASP 3.52 1.40 1 44 ASN 4.86 1.70 1 45 PHE 5.33 2.00 1 46 ALA 4.13 0.80 1 47 ARG 6.82 2.30 1 48 PHE 3.59 0.40 1 49 VAL 6.55 1.10 1 50 ALA 4.48 0.30 1 51 ALA 5.29 0.70 1 52 GLN 4.71 2.70 1 53 TYR 4.62 0.60 1 54 LEU 2.99 1.10 1 55 PHE 2.52 1.20 1 56 GLN 4.79 2.70 1 57 HIS 5.10 3.40 1 58 ASP 4.00 -0.60 1 59 LEU -0.62 0.00 1 62 LEU 4.51 0.40 1 63 TYR 4.18 0.30 1 64 ARG 0.51 -0.90 1 65 ASN 0.52 0.60 1 66 GLU 3.59 1.00 1 67 ALA 3.81 3.30 1 68 LEU 3.61 1.20 1 69 ALA 3.09 1.20 1 70 ARG 2.86 1.00 1 71 LEU 0.00 -2.50 1 72 PHE -4.22 -3.70 1 75 LEU 4.42 0.30 1 76 ALA 3.76 2.20 1 77 SER 1.96 0.30 1 78 ARG 1.41 -0.50 1 79 ALA 0.55 -0.20 1 80 ARG -0.59 -0.50 1 81 ASP 3.69 0.20 1 82 ASP 3.10 1.70 1 83 ALA 4.02 0.00 1 84 ALA 4.95 0.50 1 85 ARG 5.21 2.20 1 86 ALA 4.45 1.70 1 87 ASP 5.88 2.40 1 88 LEU 6.28 0.80 1 89 ALA 3.93 4.20 1 90 ASP 4.65 0.90 1 91 LEU 0.32 -1.10 1 93 HIS -3.94 -0.40 1 97 GLU -0.72 0.00 1 100 GLN 0.28 0.30 1 101 SER 3.84 0.60 1 102 VAL 2.34 1.40 1 104 GLU 0.20 -0.80 1 105 ALA 0.76 -1.10 1 106 ASP 0.59 -1.20 1 107 LEU -0.80 -0.10 1 108 SER -1.43 -0.90 1 109 LEU 5.28 0.40 1 110 ALA 2.62 0.70 1 111 GLU 1.71 3.10 1 112 ALA 3.01 1.50 1 113 LEU 4.27 1.50 1 115 TRP 5.89 2.70 1 116 LEU 3.32 0.40 1 117 PHE 4.68 1.30 1 119 SER 3.55 4.00 1 120 GLU 3.85 3.10 1 122 SER 0.79 -0.30 1 123 LYS 7.03 -0.80 1 131 LYS 4.20 3.00 1 132 LYS 5.88 1.90 1 133 ALA 4.06 0.50 1 134 ALA 3.97 3.30 1 135 ALA 2.81 0.70 1 136 LEU -0.58 -2.60 1 137 GLU 4.62 -3.20 1 138 LEU -1.69 -1.90 1 139 ASP 0.12 -1.20 1 140 GLU 4.77 -0.30 1 141 ASN -0.97 3.40 1 142 PHE -2.51 -2.70 1 147 LEU -1.02 -1.10 1 148 ALA -3.37 -2.40 1 149 GLU 3.82 0.20 1 151 GLU 4.58 2.20 1 155 ALA 4.92 2.60 1 156 GLN 0.73 0.40 1 158 TRP 4.55 2.90 1 159 LYS 3.41 1.30 1 160 SER 4.19 0.60 1 161 PHE 5.37 -0.10 1 162 VAL 3.58 3.20 1 163 ALA 3.95 2.20 1 164 ILE 3.62 0.40 1 165 LEU 3.58 1.70 1 166 ASP 0.84 -0.80 1 168 ILE -0.30 -2.30 1 169 GLU -3.39 -0.90 1 170 LEU -0.25 -0.20 1 171 ASN 4.37 2.20 1 172 GLU 2.97 2.40 1 173 GLU 1.17 1.90 1 174 GLU 3.70 3.50 1 175 GLU 4.64 3.40 1 176 ARG 3.15 0.80 1 177 LEU 5.59 1.40 1 178 ALA 3.78 1.80 1 179 ALA 3.68 1.30 1 180 LYS 2.42 0.60 1 182 ALA 4.53 2.00 1 184 ASP 3.23 1.40 1 185 ALA 3.92 2.20 1 187 ASN 2.39 0.90 1 188 ARG 3.78 3.40 1 191 ASP 3.66 0.60 1 192 LEU 2.57 1.20 1 193 LEU 3.47 2.80 1 194 GLU 4.23 3.30 1 195 ARG 4.81 2.60 1 196 THR 4.02 -1.80 1 197 PHE 2.34 4.90 1 stop_ save_