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 bmr18099_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -5.43 _LACS_plot.Line_1_terminator_val_y_1 -2.59 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.19 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.96 _LACS_plot.Line_2_terminator_val_x_2 7.63 _LACS_plot.Line_2_terminator_val_y_2 5.28 _LACS_plot.Y_axis_chem_shift_offset 0.51 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 138 PHE 0.44 -3.23 0 187 ARG 5.91 0.54 0 54 HIS 5.14 6.76 0 139 ASP 0.75 -3.34 0 30 ARG -1.29 -0.99 1 31 LEU 0.65 -0.03 1 32 SER -1.93 -1.22 1 33 LYS 4.61 2.85 1 34 GLU 4.94 3.01 1 35 LEU 3.21 1.92 1 36 LEU 3.92 2.57 1 37 ALA 3.71 2.04 1 38 GLU 3.50 2.04 1 39 TYR 3.59 2.14 1 40 GLN 3.72 2.83 1 41 ASP 1.93 1.39 1 42 LEU -0.09 0.44 1 43 THR -3.31 -1.65 1 44 PHE 1.40 -0.89 1 45 LEU -1.85 -1.09 1 46 THR -2.74 -1.33 1 47 LYS 6.03 4.35 1 48 GLN 5.39 3.26 1 49 GLU 2.04 2.47 1 50 ILE 5.94 4.21 1 51 LEU 4.65 3.00 1 52 LEU 4.40 2.57 1 53 ALA 3.70 2.70 1 55 ARG 5.54 3.61 1 56 ARG 4.89 3.15 1 57 PHE 3.57 3.52 1 59 GLU 2.56 1.29 1 60 LEU 0.66 -0.98 1 61 LEU -1.67 -3.35 1 63 GLN 5.13 3.57 1 64 GLU 3.60 1.61 1 65 GLN -0.80 -0.93 1 66 ARG 2.85 1.13 1 67 SER -0.88 -0.77 1 68 VAL 7.63 5.14 1 69 GLU 4.80 3.11 1 70 SER 4.07 2.81 1 71 SER 3.69 3.24 1 72 LEU 3.28 1.06 1 73 ARG -1.01 -1.23 1 74 ALA -2.16 -0.21 1 75 GLN -2.72 -1.90 1 76 VAL -1.37 -0.95 1 78 PHE 3.52 0.19 1 79 GLU 5.07 3.55 1 80 GLN 1.70 1.65 1 81 ILE 3.20 -0.31 1 82 LEU 3.01 1.28 1 83 SER -0.25 0.02 1 84 LEU 2.89 0.59 1 86 GLU 5.27 3.09 1 87 LEU -2.23 -0.84 1 88 LYS 5.33 3.76 1 89 ALA -0.67 -1.67 1 90 ASN -1.86 -0.37 1 92 PHE 0.74 -0.78 1 93 LYS 6.34 4.27 1 94 GLU 5.80 3.98 1 95 ARG 2.68 0.49 1 96 ILE 6.53 4.96 1 98 ARG 5.10 3.50 1 99 VAL 4.84 2.79 1 100 PHE 3.58 2.77 1 101 SER -0.07 0.34 1 102 THR 0.68 -0.47 1 103 SER -0.16 -0.24 1 105 ALA 0.01 -1.07 1 106 LYS 3.28 -0.36 1 107 ASP -1.41 -1.91 1 108 SER -2.72 -1.17 1 109 LEU -2.17 -0.55 1 110 SER -4.08 -2.24 1 111 PHE 5.21 2.77 1 112 GLU 5.40 3.55 1 113 ASP 2.22 2.82 1 114 PHE 2.74 2.34 1 115 LEU 4.15 2.03 1 116 ASP 4.28 3.04 1 117 LEU 4.19 2.46 1 118 LEU 4.21 2.14 1 120 VAL 5.68 2.83 1 121 PHE 3.21 2.50 1 122 SER 0.16 0.19 1 123 ASP 2.84 1.98 1 124 THR 1.56 0.25 1 125 ALA -0.19 -1.00 1 126 THR 1.73 -0.49 1 128 ASP 4.42 2.67 1 129 ILE 4.20 2.15 1 130 LYS 3.89 3.85 1 131 SER 4.29 3.56 1 132 HIS 3.39 4.27 1 133 TYR 6.62 5.58 1 134 ALA 3.99 2.69 1 135 PHE 5.47 4.01 1 136 ARG 4.13 2.20 1 137 ILE 6.43 3.32 1 140 PHE 5.06 4.71 1 141 ASP 0.22 -1.67 1 142 ASP 3.18 2.16 1 143 ASP -0.10 -0.27 1 145 THR -4.41 -1.86 1 146 LEU 0.76 -1.73 1 147 ASN -3.98 -3.57 1 148 ARG 6.53 4.90 1 149 GLU 4.60 2.69 1 150 ASP 4.42 3.90 1 151 LEU 3.26 2.01 1 152 SER 4.08 2.81 1 153 ARG 6.11 2.96 1 154 LEU 4.49 3.75 1 155 VAL 6.50 4.29 1 156 ASN 3.87 2.85 1 158 LEU 2.15 1.06 1 159 THR 0.50 0.50 1 161 GLU 0.07 -0.11 1 164 ASP 1.16 0.44 1 165 THR 0.08 -0.36 1 166 ARG 0.70 -0.27 1 167 LEU -0.89 -0.77 1 168 SER -2.25 -1.17 1 170 SER 4.05 2.36 1 171 GLU 2.33 2.04 1 172 MET 4.58 3.10 1 173 LYS 5.13 3.41 1 174 GLN 3.91 2.62 1 175 LEU 4.46 3.05 1 176 ILE 6.14 4.21 1 177 ASP 5.40 3.25 1 178 ASN 3.89 3.06 1 179 ILE 5.38 4.10 1 180 LEU 5.27 3.00 1 181 GLU 3.79 2.58 1 182 GLU 0.72 0.94 1 183 SER -0.56 0.95 1 184 ASP 0.37 -1.78 1 185 ILE 4.16 2.46 1 186 ASP 1.37 -0.95 1 188 ASP 0.23 -0.56 1 190 THR -5.43 -2.75 1 191 ILE -1.63 -2.02 1 192 ASN -1.46 -2.15 1 193 LEU 5.20 3.28 1 194 SER 4.04 2.60 1 195 GLU 3.36 2.24 1 196 PHE 3.41 3.47 1 197 GLN 5.25 3.37 1 198 HIS 4.13 4.71 1 199 VAL 5.71 3.43 1 200 ILE 4.95 1.41 1 201 SER 3.10 2.15 1 202 ARG 0.81 -0.80 1 203 SER -2.34 -2.35 1 206 PHE 0.01 -0.12 1 207 ALA 3.44 2.53 1 211 LYS 1.50 -0.05 1 212 ILE 0.30 -0.56 1 213 VAL 0.68 -0.33 1 214 LEU 1.08 1.18 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18099_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -5.43 _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 -1.81 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.04 _LACS_plot.Line_2_terminator_val_x_2 7.63 _LACS_plot.Line_2_terminator_val_y_2 -2.35 _LACS_plot.Y_axis_chem_shift_offset 0.51 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 138 PHE 0.44 -3.67 0 187 ARG 5.91 -5.37 0 54 HIS 5.14 1.62 0 139 ASP 0.75 -4.09 0 30 ARG -1.29 0.30 1 31 LEU 0.65 -0.68 1 32 SER -1.93 0.71 1 33 LYS 4.61 -1.76 1 34 GLU 4.94 -1.93 1 35 LEU 3.21 -1.29 1 36 LEU 3.92 -1.35 1 37 ALA 3.71 -1.67 1 38 GLU 3.50 -1.46 1 39 TYR 3.59 -1.45 1 40 GLN 3.72 -0.89 1 41 ASP 1.93 -0.54 1 42 LEU -0.09 0.53 1 43 THR -3.31 1.66 1 44 PHE 1.40 -2.29 1 45 LEU -1.85 0.76 1 46 THR -2.74 1.41 1 47 LYS 6.03 -1.68 1 48 GLN 5.39 -2.13 1 49 GLU 2.04 0.43 1 50 ILE 5.94 -1.73 1 51 LEU 4.65 -1.65 1 52 LEU 4.40 -1.83 1 53 ALA 3.70 -1.00 1 55 ARG 5.54 -1.93 1 56 ARG 4.89 -1.74 1 57 PHE 3.57 -0.05 1 59 GLU 2.56 -1.27 1 60 LEU 0.66 -1.64 1 61 LEU -1.67 -1.68 1 63 GLN 5.13 -1.56 1 64 GLU 3.60 -1.99 1 65 GLN -0.80 -0.13 1 66 ARG 2.85 -1.72 1 67 SER -0.88 0.11 1 68 VAL 7.63 -2.49 1 69 GLU 4.80 -1.69 1 70 SER 4.07 -1.26 1 71 SER 3.69 -0.45 1 72 LEU 3.28 -2.22 1 73 ARG -1.01 -0.22 1 74 ALA -2.16 1.95 1 75 GLN -2.72 0.82 1 76 VAL -1.37 0.42 1 78 PHE 3.52 -3.33 1 79 GLU 5.07 -1.52 1 80 GLN 1.70 -0.05 1 81 ILE 3.20 -3.51 1 82 LEU 3.01 -1.73 1 83 SER -0.25 0.27 1 84 LEU 2.89 -2.30 1 86 GLU 5.27 -2.18 1 87 LEU -2.23 1.39 1 88 LYS 5.33 -1.57 1 89 ALA -0.67 -1.00 1 90 ASN -1.86 1.49 1 92 PHE 0.74 -1.52 1 93 LYS 6.34 -2.07 1 94 GLU 5.80 -1.82 1 95 ARG 2.68 -2.19 1 96 ILE 6.53 -1.57 1 98 ARG 5.10 -1.60 1 99 VAL 4.84 -2.05 1 100 PHE 3.58 -0.81 1 101 SER -0.07 0.41 1 102 THR 0.68 -1.15 1 103 SER -0.16 -0.08 1 105 ALA 0.01 -1.08 1 106 LYS 3.28 -3.64 1 107 ASP -1.41 -0.50 1 108 SER -2.72 1.55 1 109 LEU -2.17 1.62 1 110 SER -4.08 1.84 1 111 PHE 5.21 -2.44 1 112 GLU 5.40 -1.85 1 113 ASP 2.22 0.60 1 114 PHE 2.74 -0.40 1 115 LEU 4.15 -2.12 1 116 ASP 4.28 -1.24 1 117 LEU 4.19 -1.73 1 118 LEU 4.21 -2.07 1 120 VAL 5.68 -2.85 1 121 PHE 3.21 -0.71 1 122 SER 0.16 0.03 1 123 ASP 2.84 -0.86 1 124 THR 1.56 -1.31 1 125 ALA -0.19 -0.81 1 126 THR 1.73 -2.22 1 128 ASP 4.42 -1.75 1 129 ILE 4.20 -2.05 1 130 LYS 3.89 -0.04 1 131 SER 4.29 -0.73 1 132 HIS 3.39 0.88 1 133 TYR 6.62 -1.04 1 134 ALA 3.99 -1.30 1 135 PHE 5.47 -1.46 1 136 ARG 4.13 -1.93 1 137 ILE 6.43 -3.11 1 140 PHE 5.06 -0.35 1 141 ASP 0.22 -1.89 1 142 ASP 3.18 -1.02 1 143 ASP -0.10 -0.17 1 145 THR -4.41 2.55 1 146 LEU 0.76 -2.49 1 147 ASN -3.98 0.41 1 148 ARG 6.53 -1.63 1 149 GLU 4.60 -1.91 1 150 ASP 4.42 -0.52 1 151 LEU 3.26 -1.25 1 152 SER 4.08 -1.27 1 153 ARG 6.11 -3.15 1 154 LEU 4.49 -0.74 1 155 VAL 6.50 -2.21 1 156 ASN 3.87 -1.02 1 158 LEU 2.15 -1.09 1 159 THR 0.50 0.00 1 161 GLU 0.07 -0.18 1 164 ASP 1.16 -0.72 1 165 THR 0.08 -0.44 1 166 ARG 0.70 -0.97 1 167 LEU -0.89 0.12 1 168 SER -2.25 1.08 1 170 SER 4.05 -1.69 1 171 GLU 2.33 -0.29 1 172 MET 4.58 -1.48 1 173 LYS 5.13 -1.72 1 174 GLN 3.91 -1.29 1 175 LEU 4.46 -1.41 1 176 ILE 6.14 -1.93 1 177 ASP 5.40 -2.15 1 178 ASN 3.89 -0.83 1 179 ILE 5.38 -1.28 1 180 LEU 5.27 -2.27 1 181 GLU 3.79 -1.21 1 182 GLU 0.72 0.22 1 183 SER -0.56 1.51 1 184 ASP 0.37 -2.15 1 185 ILE 4.16 -1.70 1 186 ASP 1.37 -2.32 1 188 ASP 0.23 -0.79 1 190 THR -5.43 2.68 1 191 ILE -1.63 -0.39 1 192 ASN -1.46 -0.69 1 193 LEU 5.20 -1.92 1 194 SER 4.04 -1.44 1 195 GLU 3.36 -1.12 1 196 PHE 3.41 0.06 1 197 GLN 5.25 -1.88 1 198 HIS 4.13 0.58 1 199 VAL 5.71 -2.28 1 200 ILE 4.95 -3.54 1 201 SER 3.10 -0.95 1 202 ARG 0.81 -1.61 1 203 SER -2.34 -0.01 1 206 PHE 0.01 -0.13 1 207 ALA 3.44 -0.91 1 211 LYS 1.50 -1.55 1 212 ILE 0.30 -0.86 1 213 VAL 0.68 -1.01 1 214 LEU 1.08 0.10 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18099_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -5.43 _LACS_plot.Line_1_terminator_val_y_1 -1.60 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.86 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.40 _LACS_plot.Line_2_terminator_val_x_2 7.63 _LACS_plot.Line_2_terminator_val_y_2 2.53 _LACS_plot.Y_axis_chem_shift_offset -0.20 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 190 THR -5.43 -0.91 0 214 LEU 1.08 4.65 0 30 ARG -1.29 -0.41 1 31 LEU 0.65 -1.40 1 32 SER -1.93 0.04 1 33 LYS 4.61 2.37 1 34 GLU 4.94 2.37 1 35 LEU 3.21 1.15 1 36 LEU 3.92 1.19 1 37 ALA 3.71 2.22 1 38 GLU 3.50 2.73 1 39 TYR 3.59 2.97 1 40 GLN 3.72 0.94 1 41 ASP 1.93 1.04 1 42 LEU -0.09 -0.66 1 43 THR -3.31 -1.60 1 44 PHE 1.40 -0.34 1 45 LEU -1.85 -0.58 1 46 THR -2.74 1.30 1 47 LYS 6.03 1.63 1 48 GLN 5.39 3.05 1 49 GLU 2.04 3.20 1 50 ILE 5.94 1.23 1 51 LEU 4.65 3.02 1 52 LEU 4.40 1.37 1 53 ALA 3.70 2.00 1 54 HIS 5.14 3.37 1 55 ARG 5.54 3.07 1 56 ARG 4.89 2.37 1 57 PHE 3.57 1.64 1 59 GLU 2.56 0.68 1 60 LEU 0.66 -0.82 1 61 LEU -1.67 -2.75 1 63 GLN 5.13 1.75 1 64 GLU 3.60 0.68 1 65 GLN -0.80 -1.83 1 66 ARG 2.85 -0.08 1 67 SER -0.88 0.90 1 68 VAL 7.63 1.97 1 69 GLU 4.80 2.59 1 70 SER 4.07 3.65 1 71 SER 3.69 1.50 1 72 LEU 3.28 -0.05 1 73 ARG -1.01 -0.36 1 74 ALA -2.16 -1.02 1 75 GLN -2.72 -0.48 1 76 VAL -1.37 -1.15 1 78 PHE 3.52 1.44 1 79 GLU 5.07 1.81 1 80 GLN 1.70 2.01 1 81 ILE 3.20 0.84 1 82 LEU 3.01 -1.24 1 83 SER -0.25 0.11 1 84 LEU 2.89 0.90 1 86 GLU 5.27 -0.32 1 87 LEU -2.23 0.60 1 88 LYS 5.33 0.29 1 89 ALA -0.67 -1.30 1 90 ASN -1.86 2.35 1 92 PHE 0.74 1.18 1 93 LYS 6.34 -0.62 1 94 GLU 5.80 2.41 1 95 ARG 2.68 1.81 1 96 ILE 6.53 0.88 1 98 ARG 5.10 2.17 1 99 VAL 4.84 0.94 1 100 PHE 3.58 -0.79 1 101 SER -0.07 2.56 1 102 THR 0.68 1.06 1 103 SER -0.16 2.64 1 105 ALA 0.01 -0.72 1 106 LYS 3.28 -1.39 1 107 ASP -1.41 -0.48 1 108 SER -2.72 -1.70 1 109 LEU -2.17 -1.20 1 110 SER -4.08 0.21 1 111 PHE 5.21 1.00 1 112 GLU 5.40 1.89 1 113 ASP 2.22 1.41 1 114 PHE 2.74 0.66 1 115 LEU 4.15 1.59 1 116 ASP 4.28 1.04 1 117 LEU 4.19 0.25 1 118 LEU 4.21 3.32 1 120 VAL 5.68 -0.02 1 121 PHE 3.21 0.41 1 122 SER 0.16 2.41 1 123 ASP 2.84 0.74 1 124 THR 1.56 0.21 1 125 ALA -0.19 -1.04 1 126 THR 1.73 0.72 1 128 ASP 4.42 1.76 1 129 ILE 4.20 1.71 1 130 LYS 3.89 2.07 1 131 SER 4.29 0.91 1 132 HIS 3.39 4.04 1 133 TYR 6.62 2.05 1 134 ALA 3.99 -1.86 1 135 PHE 5.47 -0.09 1 136 ARG 4.13 3.17 1 137 ILE 6.43 -0.20 1 138 PHE 0.44 -2.64 1 139 ASP 0.75 0.14 1 140 PHE 5.06 0.82 1 141 ASP 0.22 -0.09 1 142 ASP 3.18 -0.91 1 143 ASP -0.10 2.10 1 145 THR -4.41 -1.67 1 146 LEU 0.76 -1.79 1 148 ARG 6.53 2.03 1 149 GLU 4.60 2.94 1 150 ASP 4.42 4.24 1 151 LEU 3.26 0.65 1 152 SER 4.08 2.00 1 153 ARG 6.11 2.79 1 154 LEU 4.49 0.97 1 155 VAL 6.50 2.65 1 156 ASN 3.87 2.75 1 158 LEU 2.15 0.63 1 159 THR 0.50 1.02 1 161 GLU 0.07 0.44 1 164 ASP 1.16 0.18 1 165 THR 0.08 -0.45 1 166 ARG 0.70 0.06 1 167 LEU -0.89 0.01 1 168 SER -2.25 0.15 1 170 SER 4.05 2.70 1 171 GLU 2.33 2.92 1 172 MET 4.58 0.82 1 173 LYS 5.13 1.41 1 174 GLN 3.91 2.17 1 175 LEU 4.46 1.63 1 176 ILE 6.14 1.49 1 177 ASP 5.40 3.30 1 178 ASN 3.89 2.61 1 179 ILE 5.38 3.78 1 180 LEU 5.27 1.26 1 181 GLU 3.79 2.46 1 182 GLU 0.72 1.49 1 183 SER -0.56 -0.29 1 184 ASP 0.37 0.89 1 185 ILE 4.16 1.48 1 186 ASP 1.37 -0.13 1 187 ARG 5.91 -0.21 1 188 ASP 0.23 1.43 1 191 ILE -1.63 -0.72 1 192 ASN -1.46 -0.11 1 193 LEU 5.20 0.56 1 194 SER 4.04 3.52 1 195 GLU 3.36 2.73 1 196 PHE 3.41 0.54 1 197 GLN 5.25 2.87 1 198 HIS 4.13 3.14 1 199 VAL 5.71 2.45 1 200 ILE 4.95 1.93 1 201 SER 3.10 -0.15 1 202 ARG 0.81 0.48 1 206 PHE 0.01 0.67 1 211 LYS 1.50 -0.79 1 212 ILE 0.30 -0.68 1 213 VAL 0.68 -1.36 1 stop_ save_