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 bmr19425_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.03 _LACS_plot.Line_1_terminator_val_y_1 -2.69 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.88 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.25 _LACS_plot.Line_2_terminator_val_x_2 6.84 _LACS_plot.Line_2_terminator_val_y_2 4.78 _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 64 LEU 0.73 -2.02 0 10 ARG -5.63 -1.99 1 11 THR 1.67 1.15 1 12 ASP 4.70 3.53 1 13 ASP 2.13 2.01 1 14 GLU -2.15 -1.34 1 15 VAL -7.03 -3.15 1 16 VAL -3.61 -1.89 1 17 LEU 0.41 0.56 1 18 GLN -6.29 -1.99 1 20 THR -0.41 0.06 1 21 ALA -4.08 -1.86 1 22 THR 0.22 0.12 1 23 ILE -1.43 -0.69 1 24 HIS 3.14 2.17 1 26 GLU -2.89 -1.21 1 27 GLN -1.85 -1.20 1 28 GLN -3.43 -1.08 1 29 LYS -0.05 -0.44 1 30 LEU -4.29 -1.75 1 32 LEU 0.96 1.25 1 33 ALA -6.93 -1.89 1 34 ALA -2.90 -1.00 1 35 GLU -2.59 -0.65 1 39 ASN 1.73 1.08 1 40 ARG -0.25 0.08 1 41 LEU -0.63 -0.43 1 43 PHE -3.95 -0.29 1 44 LEU -2.33 -1.82 1 45 GLU 0.26 0.48 1 46 SER 0.08 0.26 1 47 THR -0.19 0.09 1 61 THR 2.12 1.60 1 62 PHE -5.21 -1.52 1 63 VAL -2.88 -1.26 1 65 GLU 1.76 3.15 1 66 GLN -5.38 -1.67 1 67 SER -0.67 -0.17 1 68 LEU -5.28 -1.75 1 69 SER -0.49 -0.39 1 70 VAL 6.85 4.90 1 71 ARG 4.71 3.09 1 72 ALA 3.30 2.43 1 73 LEU 4.76 2.88 1 74 GLN 5.52 3.37 1 75 GLU 3.57 2.81 1 76 MET 4.63 4.26 1 77 LEU 4.19 2.57 1 78 ALA 2.34 1.57 1 79 ASN 0.50 1.07 1 80 THR 1.02 1.29 1 81 VAL 0.78 0.61 1 82 GLU 0.33 0.28 1 83 LYS 1.10 0.60 1 84 SER 0.74 0.71 1 85 GLU 1.09 0.63 1 87 GLN -0.61 -0.44 1 88 VAL 0.98 0.71 1 89 ASP -0.13 -0.46 1 90 VAL 4.42 3.29 1 91 GLU 3.89 2.56 1 92 LYS 4.05 2.99 1 93 TRP 2.94 2.68 1 94 LYS 4.67 3.61 1 95 PHE 3.92 3.20 1 96 MET 4.04 3.22 1 97 MET 2.96 2.47 1 98 LYS 3.67 2.39 1 99 THR 3.81 3.11 1 100 ALA 2.22 1.61 1 101 GLN 1.46 1.21 1 105 HIS 1.09 0.59 1 106 ARG -0.99 -0.77 1 107 THR 2.74 1.92 1 108 LEU 2.39 1.69 1 109 LEU -3.48 -3.43 1 110 TYR 5.29 4.55 1 112 HIS -2.17 1.12 1 113 ALA -4.67 -2.12 1 115 LEU 4.00 1.12 1 116 LEU -3.30 -2.25 1 117 ARG -3.60 -1.60 1 118 HIS -0.62 1.64 1 119 SER 4.60 3.71 1 120 TYR 3.06 3.00 1 121 SER -0.41 1.07 1 123 MET -3.06 0.03 1 124 TYR -1.35 0.76 1 125 LEU 0.70 1.21 1 128 LEU 0.99 -0.30 1 129 SER -0.16 0.02 1 130 THR -1.92 -1.10 1 131 SER -1.55 -0.76 1 132 ARG 1.09 0.92 1 133 SER 4.66 3.59 1 135 THR 1.57 1.10 1 136 ASP -0.01 -0.20 1 137 LYS 2.64 0.91 1 138 LEU 1.07 0.16 1 139 ALA -2.98 -1.16 1 140 PHE -4.70 -1.83 1 141 ASP -0.59 0.48 1 142 VAL -3.96 -1.53 1 144 LEU -3.34 -1.80 1 145 GLN -4.27 -0.98 1 146 GLU 1.71 2.54 1 147 ASP -0.88 -0.06 1 148 THR 0.99 0.09 1 149 THR 1.15 0.56 1 151 GLU 1.40 2.75 1 152 ALA 2.80 2.56 1 160 ALA -1.50 -0.11 1 161 SER -3.38 -1.44 1 162 LYS 0.84 -0.90 1 163 GLN 2.09 1.67 1 164 ARG -5.02 -3.12 1 165 SER -3.87 -1.32 1 166 GLU 3.27 2.06 1 168 GLU -2.21 -0.91 1 169 LYS -0.08 1.01 1 170 VAL 2.48 0.85 1 171 ARG 0.19 -0.23 1 172 VAL 4.59 3.12 1 174 ASP 1.17 0.49 1 175 ASP -0.90 0.18 1 176 LEU -3.72 -0.72 1 180 SER 0.24 -0.79 1 181 VAL 5.39 3.68 1 182 SER 3.44 1.90 1 183 SER -2.43 0.59 1 184 GLU 4.44 1.96 1 185 ARG -3.00 -1.76 1 186 TYR -1.13 -0.49 1 187 LEU 3.01 1.96 1 188 HIS -1.26 1.35 1 189 LEU -2.60 -0.96 1 190 SER -3.95 -1.49 1 191 TYR -1.90 -0.88 1 195 SER -3.13 -1.41 1 196 TRP -2.41 -0.51 1 197 HIS -3.08 0.17 1 198 VAL -4.58 -3.52 1 199 ASP -1.72 -0.65 1 200 ALA -2.89 -2.35 1 201 ALA -6.61 -1.89 1 202 PHE 3.37 2.01 1 203 GLN -1.64 -0.60 1 204 GLN 0.01 0.52 1 205 THR -2.39 1.05 1 206 LEU 0.68 -0.09 1 207 TRP -3.02 -1.45 1 208 SER -2.16 -1.16 1 209 VAL -0.40 -0.80 1 210 ALA -4.64 -3.44 1 212 ILE 0.67 0.23 1 213 SER -0.57 -0.32 1 214 SER -0.61 0.32 1 216 SER 0.15 0.34 1 217 GLU -0.25 0.08 1 218 ALA -0.05 -0.04 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19425_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.03 _LACS_plot.Line_1_terminator_val_y_1 4.34 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.12 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.75 _LACS_plot.Line_2_terminator_val_x_2 6.84 _LACS_plot.Line_2_terminator_val_y_2 -2.06 _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 64 LEU 0.73 -2.75 0 10 ARG -5.63 3.64 1 11 THR 1.67 -0.52 1 12 ASP 4.70 -1.17 1 13 ASP 2.13 -0.12 1 14 GLU -2.15 0.81 1 15 VAL -7.03 3.88 1 16 VAL -3.61 1.72 1 17 LEU 0.41 0.15 1 18 GLN -6.29 4.30 1 20 THR -0.41 0.47 1 21 ALA -4.08 2.22 1 22 THR 0.22 -0.10 1 23 ILE -1.43 0.74 1 24 HIS 3.14 -0.97 1 26 GLU -2.89 1.68 1 27 GLN -1.85 0.65 1 28 GLN -3.43 2.35 1 29 LYS -0.05 -0.39 1 30 LEU -4.29 2.54 1 32 LEU 0.96 0.29 1 33 ALA -6.93 5.04 1 34 ALA -2.90 1.90 1 35 GLU -2.59 1.94 1 39 ASN 1.73 -0.65 1 40 ARG -0.25 0.33 1 41 LEU -0.63 0.20 1 43 PHE -3.95 3.66 1 44 LEU -2.33 0.51 1 45 GLU 0.26 0.22 1 46 SER 0.08 0.18 1 47 THR -0.19 0.28 1 61 THR 2.12 -0.52 1 62 PHE -5.21 3.69 1 63 VAL -2.88 1.62 1 65 GLU 1.76 1.39 1 66 GLN -5.38 3.71 1 67 SER -0.67 0.50 1 68 LEU -5.28 3.53 1 69 SER -0.49 0.10 1 70 VAL 6.85 -1.95 1 71 ARG 4.71 -1.62 1 72 ALA 3.30 -0.87 1 73 LEU 4.76 -1.88 1 74 GLN 5.52 -2.15 1 75 GLU 3.57 -0.76 1 76 MET 4.63 -0.37 1 77 LEU 4.19 -1.62 1 78 ALA 2.34 -0.77 1 79 ASN 0.50 0.57 1 80 THR 1.02 0.27 1 81 VAL 0.78 -0.17 1 82 GLU 0.33 -0.05 1 83 LYS 1.10 -0.50 1 84 SER 0.74 -0.03 1 85 GLU 1.09 -0.46 1 87 GLN -0.61 0.17 1 88 VAL 0.98 -0.27 1 89 ASP -0.13 -0.33 1 90 VAL 4.42 -1.13 1 91 GLU 3.89 -1.33 1 92 LYS 4.05 -1.06 1 93 TRP 2.94 -0.26 1 94 LYS 4.67 -1.06 1 95 PHE 3.92 -0.72 1 96 MET 4.04 -0.82 1 97 MET 2.96 -0.49 1 98 LYS 3.67 -1.28 1 99 THR 3.81 -0.70 1 100 ALA 2.22 -0.61 1 101 GLN 1.46 -0.25 1 105 HIS 1.09 -0.50 1 106 ARG -0.99 0.22 1 107 THR 2.74 -0.82 1 108 LEU 2.39 -0.70 1 109 LEU -3.48 0.05 1 110 TYR 5.29 -0.74 1 112 HIS -2.17 3.29 1 113 ALA -4.67 2.55 1 115 LEU 4.00 -2.88 1 116 LEU -3.30 1.05 1 117 ARG -3.60 2.00 1 118 HIS -0.62 2.26 1 119 SER 4.60 -0.89 1 120 TYR 3.06 -0.06 1 121 SER -0.41 1.48 1 123 MET -3.06 3.09 1 124 TYR -1.35 2.11 1 125 LEU 0.70 0.51 1 128 LEU 0.99 -1.29 1 129 SER -0.16 0.18 1 130 THR -1.92 0.82 1 131 SER -1.55 0.79 1 132 ARG 1.09 -0.17 1 133 SER 4.66 -1.07 1 135 THR 1.57 -0.47 1 136 ASP -0.01 -0.19 1 137 LYS 2.64 -1.73 1 138 LEU 1.07 -0.91 1 139 ALA -2.98 1.82 1 140 PHE -4.70 2.87 1 141 ASP -0.59 1.07 1 142 VAL -3.96 2.43 1 144 LEU -3.34 1.54 1 145 GLN -4.27 3.29 1 146 GLU 1.71 0.83 1 147 ASP -0.88 0.82 1 148 THR 0.99 -0.90 1 149 THR 1.15 -0.59 1 151 GLU 1.40 1.35 1 152 ALA 2.80 -0.24 1 160 ALA -1.50 1.39 1 161 SER -3.38 1.94 1 162 LYS 0.84 -1.74 1 163 GLN 2.09 -0.42 1 164 ARG -5.02 1.90 1 165 SER -3.87 2.55 1 166 GLU 3.27 -1.21 1 168 GLU -2.21 1.30 1 169 LYS -0.08 1.09 1 170 VAL 2.48 -1.63 1 171 ARG 0.19 -0.42 1 172 VAL 4.59 -1.47 1 174 ASP 1.17 -0.68 1 175 ASP -0.90 1.08 1 176 LEU -3.72 3.00 1 180 SER 0.24 -1.03 1 181 VAL 5.39 -1.71 1 182 SER 3.44 -1.54 1 183 SER -2.43 3.02 1 184 GLU 4.44 -2.48 1 185 ARG -3.00 1.24 1 186 TYR -1.13 0.64 1 187 LEU 3.01 -1.05 1 188 HIS -1.26 2.61 1 189 LEU -2.60 1.64 1 190 SER -3.95 2.46 1 191 TYR -1.90 1.02 1 195 SER -3.13 1.72 1 196 TRP -2.41 1.90 1 197 HIS -3.08 3.25 1 198 VAL -4.58 1.06 1 199 ASP -1.72 1.07 1 200 ALA -2.89 0.54 1 201 ALA -6.61 4.72 1 202 PHE 3.37 -1.36 1 203 GLN -1.64 1.04 1 204 GLN 0.01 0.51 1 205 THR -2.39 3.44 1 206 LEU 0.68 -0.77 1 207 TRP -3.02 1.57 1 208 SER -2.16 1.00 1 209 VAL -0.40 -0.40 1 210 ALA -4.64 1.20 1 212 ILE 0.67 -0.44 1 213 SER -0.57 0.25 1 214 SER -0.61 0.93 1 216 SER 0.15 0.19 1 217 GLU -0.25 0.33 1 218 ALA -0.05 0.01 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19425_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.03 _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 0.16 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.28 _LACS_plot.Line_2_terminator_val_x_2 6.84 _LACS_plot.Line_2_terminator_val_y_2 1.84 _LACS_plot.Y_axis_chem_shift_offset 0.54 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 188 HIS -1.26 4.67 0 61 THR 2.12 5.62 0 115 LEU 4.00 -4.23 0 15 VAL -7.03 0.55 0 70 VAL 6.85 -1.69 0 206 LEU 0.68 -6.18 0 189 LEU -2.60 -7.33 0 10 ARG -5.63 -0.67 1 11 THR 1.67 1.25 1 12 ASP 4.70 -0.61 1 13 ASP 2.13 -0.35 1 14 GLU -2.15 -1.54 1 16 VAL -3.61 -2.47 1 17 LEU 0.41 -2.74 1 18 GLN -6.29 -0.50 1 20 THR -0.41 -2.24 1 21 ALA -4.08 -5.08 1 22 THR 0.22 -1.52 1 23 ILE -1.43 -2.61 1 24 HIS 3.14 1.16 1 26 GLU -2.89 -1.03 1 27 GLN -1.85 -0.81 1 28 GLN -3.43 -0.33 1 29 LYS -0.05 -2.79 1 30 LEU -4.29 -2.16 1 32 LEU 0.96 -3.51 1 33 ALA -6.93 -3.28 1 34 ALA -2.90 -3.14 1 35 GLU -2.59 -0.39 1 39 ASN 1.73 -1.37 1 40 ARG -0.25 -2.23 1 41 LEU -0.63 -1.15 1 43 PHE -3.95 -5.46 1 44 LEU -2.33 -1.36 1 45 GLU 0.26 1.07 1 46 SER 0.08 2.11 1 47 THR -0.19 0.11 1 62 PHE -5.21 -1.38 1 63 VAL -2.88 -2.58 1 64 LEU 0.73 -0.45 1 65 GLU 1.76 -1.73 1 66 GLN -5.38 0.09 1 67 SER -0.67 -0.57 1 68 LEU -5.28 -3.90 1 69 SER -0.49 2.94 1 71 ARG 4.71 1.93 1 72 ALA 3.30 0.71 1 73 LEU 4.76 3.04 1 74 GLN 5.52 1.88 1 75 GLU 3.57 3.15 1 76 MET 4.63 2.30 1 77 LEU 4.19 2.04 1 78 ALA 2.34 1.52 1 79 ASN 0.50 3.74 1 80 THR 1.02 0.87 1 81 VAL 0.78 -1.73 1 82 GLU 0.33 -0.32 1 83 LYS 1.10 0.37 1 84 SER 0.74 2.27 1 85 GLU 1.09 -1.90 1 87 GLN -0.61 -2.09 1 88 VAL 0.98 -0.63 1 89 ASP -0.13 -0.60 1 90 VAL 4.42 0.17 1 91 GLU 3.89 0.92 1 92 LYS 4.05 2.83 1 93 TRP 2.94 2.57 1 94 LYS 4.67 0.77 1 95 PHE 3.92 3.39 1 96 MET 4.04 1.87 1 97 MET 2.96 2.36 1 98 LYS 3.67 1.26 1 99 THR 3.81 4.57 1 100 ALA 2.22 -1.74 1 101 GLN 1.46 2.66 1 105 HIS 1.09 -0.75 1 106 ARG -0.99 -1.39 1 107 THR 2.74 1.75 1 108 LEU 2.39 -3.31 1 109 LEU -3.48 -2.32 1 110 TYR 5.29 1.25 1 112 HIS -2.17 1.36 1 113 ALA -4.67 -4.02 1 116 LEU -3.30 -6.20 1 117 ARG -3.60 0.17 1 118 HIS -0.62 1.60 1 119 SER 4.60 1.09 1 120 TYR 3.06 4.80 1 121 SER -0.41 1.94 1 123 MET -3.06 -3.10 1 124 TYR -1.35 -3.02 1 125 LEU 0.70 -0.92 1 128 LEU 0.99 -3.57 1 129 SER -0.16 0.92 1 130 THR -1.92 -0.17 1 131 SER -1.55 -1.12 1 132 ARG 1.09 -1.30 1 133 SER 4.66 1.27 1 135 THR 1.57 -0.94 1 136 ASP -0.01 -1.51 1 137 LYS 2.64 -0.33 1 138 LEU 1.07 -0.80 1 139 ALA -2.98 -1.39 1 140 PHE -4.70 1.15 1 141 ASP -0.59 -0.78 1 142 VAL -3.96 -2.25 1 144 LEU -3.34 -6.63 1 145 GLN -4.27 1.13 1 146 GLU 1.71 -1.27 1 147 ASP -0.88 0.09 1 148 THR 0.99 1.26 1 149 THR 1.15 0.30 1 151 GLU 1.40 -3.03 1 152 ALA 2.80 -0.07 1 160 ALA -1.50 -1.06 1 161 SER -3.38 2.28 1 162 LYS 0.84 -1.36 1 163 GLN 2.09 0.84 1 164 ARG -5.02 -0.35 1 165 SER -3.87 -0.21 1 166 GLU 3.27 -3.31 1 168 GLU -2.21 -3.29 1 169 LYS -0.08 -1.25 1 170 VAL 2.48 0.29 1 171 ARG 0.19 -0.56 1 172 VAL 4.59 1.22 1 174 ASP 1.17 -1.75 1 175 ASP -0.90 -1.69 1 176 LEU -3.72 -2.43 1 180 SER 0.24 1.27 1 181 VAL 5.39 0.93 1 182 SER 3.44 2.48 1 183 SER -2.43 2.03 1 184 GLU 4.44 -1.60 1 185 ARG -3.00 -2.43 1 186 TYR -1.13 -1.53 1 187 LEU 3.01 -0.85 1 190 SER -3.95 0.14 1 191 TYR -1.90 -3.46 1 195 SER -3.13 -1.94 1 196 TRP -2.41 -4.29 1 197 HIS -3.08 -0.29 1 198 VAL -4.58 -3.86 1 199 ASP -1.72 -3.14 1 200 ALA -2.89 -5.05 1 201 ALA -6.61 -1.33 1 202 PHE 3.37 0.78 1 203 GLN -1.64 -0.83 1 204 GLN 0.01 -2.84 1 205 THR -2.39 1.45 1 207 TRP -3.02 -0.36 1 208 SER -2.16 0.97 1 209 VAL -0.40 -2.12 1 210 ALA -4.64 -3.15 1 212 ILE 0.67 0.92 1 213 SER -0.57 1.71 1 214 SER -0.61 -0.16 1 216 SER 0.15 -0.29 1 217 GLU -0.25 -2.03 1 218 ALA -0.05 -1.76 1 stop_ save_