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 bmr18663_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.58 _LACS_plot.Line_1_terminator_val_y_1 -3.32 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.90 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.39 _LACS_plot.Line_2_terminator_val_x_2 8.03 _LACS_plot.Line_2_terminator_val_y_2 5.55 _LACS_plot.Y_axis_chem_shift_offset -0.01 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 132 GLU 7.40 -0.06 0 12 ALA 0.31 0.07 1 13 ASN -0.25 -0.34 1 14 GLU 0.94 0.85 1 16 LEU 1.73 1.11 1 17 ASP 1.58 1.06 1 18 LYS 2.10 1.25 1 19 ALA 2.12 1.17 1 20 LEU 1.81 0.73 1 21 SER 1.44 0.90 1 22 ALA -0.39 -0.64 1 23 LEU 0.35 -0.26 1 26 GLU -1.73 -2.39 1 30 VAL 0.82 0.57 1 33 HIS 4.23 4.74 1 34 SER -4.44 -1.90 1 36 TRP -4.13 -0.97 1 37 THR -1.28 0.19 1 38 PHE -3.54 0.19 1 39 TRP -4.92 -1.00 1 40 LEU -4.04 -0.80 1 41 ASP -5.28 -1.93 1 42 ARG -1.02 -0.71 1 43 SER 0.43 0.26 1 44 LEU -0.38 -0.61 1 47 ALA -0.64 0.12 1 48 THR -2.11 -1.05 1 49 ALA 3.44 2.24 1 50 ALA 2.48 1.49 1 51 GLU 1.25 1.17 1 53 ALA 2.28 1.30 1 54 SER 2.10 1.56 1 55 ASN -0.56 0.35 1 56 LEU -1.19 -0.03 1 57 LYS -3.78 -1.45 1 58 LYS 2.06 0.77 1 59 ILE 3.23 1.88 1 60 TYR -3.71 1.69 1 61 THR 1.11 0.67 1 62 VAL -3.59 -2.68 1 63 GLN -1.55 0.24 1 64 THR -6.17 -3.02 1 65 VAL 4.82 4.49 1 66 GLN 6.39 4.39 1 67 ILE 4.55 2.67 1 68 PHE 7.70 5.26 1 69 TRP 3.26 2.64 1 70 SER 4.08 3.47 1 71 VAL 6.13 4.05 1 72 TYR 4.37 3.98 1 73 ASN 1.98 1.67 1 74 ASN -0.87 0.85 1 75 ILE 2.65 1.00 1 78 VAL 4.70 2.91 1 79 THR 2.66 1.08 1 80 SER -1.28 -0.15 1 81 LEU -0.10 -0.13 1 83 LEU 1.63 1.36 1 84 ARG 6.72 2.43 1 86 SER -4.09 -1.17 1 87 TYR -7.58 -3.25 1 88 HIS -6.94 -0.60 1 89 LEU -0.95 -0.64 1 93 GLU -1.13 -1.57 1 94 ARG 0.91 0.34 1 95 ARG -1.68 -1.28 1 97 LEU -4.40 -2.54 1 98 TRP 5.65 2.11 1 99 GLU 1.42 0.31 1 100 GLU 0.16 -0.04 1 101 GLU 4.25 3.30 1 102 SER 2.85 1.66 1 103 ASN 0.63 0.50 1 104 ALA 3.42 3.77 1 105 LYS 1.33 -0.70 1 108 VAL -7.44 -5.86 1 110 LYS -2.85 -1.26 1 111 MET -5.63 -1.19 1 112 LYS -1.78 -0.97 1 113 VAL -4.00 -1.90 1 115 LYS 3.56 1.92 1 116 ASP 2.39 1.12 1 117 SER -0.08 1.13 1 118 THR 5.00 3.25 1 119 SER 5.74 4.14 1 120 THR 5.62 4.67 1 121 VAL 5.87 4.33 1 122 TRP 0.68 2.34 1 123 LYS 5.34 4.52 1 124 GLU 2.34 1.80 1 125 LEU 4.08 2.48 1 126 LEU 3.49 3.21 1 127 LEU 3.15 1.91 1 128 ALA 2.03 1.49 1 129 THR 8.03 5.37 1 130 ILE 5.03 2.58 1 133 GLN 4.01 1.88 1 134 PHE 1.53 0.35 1 135 THR 5.78 4.64 1 136 ASP 1.70 0.49 1 138 ALA -3.57 -2.52 1 139 ALA -1.86 -0.52 1 140 ALA 3.99 2.47 1 141 ASP 1.60 0.33 1 142 ASP -6.09 -2.75 1 143 GLU -3.68 -0.20 1 144 ILE 1.31 -2.57 1 145 ILE -0.88 0.07 1 147 VAL -5.12 -2.02 1 148 SER -1.82 -0.18 1 149 VAL -4.10 -3.19 1 150 SER -3.50 -2.38 1 151 VAL 0.77 -0.45 1 152 ARG -3.26 -2.81 1 153 ASP 2.85 2.90 1 154 ARG 2.57 2.02 1 155 GLU -2.36 -1.28 1 156 ASP -1.19 -0.31 1 157 VAL -3.63 -1.32 1 158 VAL -4.20 -2.69 1 159 GLN -6.01 -2.64 1 160 VAL -2.30 -0.53 1 161 TRP -2.47 -1.10 1 162 ASN -3.22 -2.20 1 163 VAL -1.94 -0.03 1 164 ASN -1.76 -1.90 1 165 ALA 2.34 1.91 1 166 SER 3.49 2.31 1 167 LEU 0.01 -1.38 1 168 VAL 4.34 2.87 1 170 GLU -1.97 -1.22 1 171 ALA -1.97 -0.52 1 172 THR 0.76 -1.36 1 173 VAL 3.97 3.86 1 174 LEU 5.26 2.71 1 175 GLU 5.13 3.49 1 176 LYS 3.69 1.07 1 177 ILE 7.18 5.72 1 178 HIS 4.81 4.35 1 179 GLN 3.47 2.38 1 180 LEU 0.70 1.40 1 181 LEU -1.33 -1.03 1 183 HIS -0.76 0.13 1 184 ILE -0.50 -3.43 1 185 ALA -0.60 -2.65 1 186 PHE 1.24 1.58 1 187 LYS 2.41 -0.42 1 188 ALA -0.52 0.04 1 189 VAL -1.32 -0.76 1 190 PHE -2.03 -1.40 1 191 TYR -1.16 -0.85 1 192 LYS -5.54 -2.86 1 194 HIS 0.98 2.42 1 195 GLU -0.55 -0.41 1 196 GLU -0.38 -0.19 1 197 HIS 0.41 1.58 1 199 ALA 0.59 0.04 1 200 PHE 0.30 -0.14 1 201 GLU 0.37 0.01 1 206 LYS 0.24 -0.01 1 207 HIS 1.18 2.50 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18663_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.58 _LACS_plot.Line_1_terminator_val_y_1 4.26 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.10 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.61 _LACS_plot.Line_2_terminator_val_x_2 8.03 _LACS_plot.Line_2_terminator_val_y_2 -2.48 _LACS_plot.Y_axis_chem_shift_offset -0.01 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 132 GLU 7.40 -7.46 0 12 ALA 0.31 -0.24 1 13 ASN -0.25 -0.09 1 14 GLU 0.94 -0.09 1 16 LEU 1.73 -0.62 1 17 ASP 1.58 -0.52 1 18 LYS 2.10 -0.85 1 19 ALA 2.12 -0.95 1 20 LEU 1.81 -1.08 1 21 SER 1.44 -0.54 1 22 ALA -0.39 -0.25 1 23 LEU 0.35 -0.61 1 26 GLU -1.73 -0.66 1 30 VAL 0.82 -0.25 1 33 HIS 4.23 0.51 1 34 SER -4.44 2.54 1 36 TRP -4.13 3.16 1 37 THR -1.28 1.47 1 38 PHE -3.54 3.73 1 39 TRP -4.92 3.92 1 40 LEU -4.04 3.24 1 41 ASP -5.28 3.35 1 42 ARG -1.02 0.31 1 43 SER 0.43 -0.17 1 44 LEU -0.38 -0.23 1 47 ALA -0.64 0.76 1 48 THR -2.11 1.06 1 49 ALA 3.44 -1.20 1 50 ALA 2.48 -0.99 1 51 GLU 1.25 -0.08 1 53 ALA 2.28 -0.98 1 54 SER 2.10 -0.54 1 55 ASN -0.56 0.91 1 56 LEU -1.19 1.16 1 57 LYS -3.78 2.33 1 58 LYS 2.06 -1.29 1 59 ILE 3.23 -1.35 1 60 TYR -3.71 5.40 1 61 THR 1.11 -0.44 1 62 VAL -3.59 0.91 1 63 GLN -1.55 1.79 1 64 THR -6.17 3.15 1 65 VAL 4.82 -0.33 1 66 GLN 6.39 -2.00 1 67 ILE 4.55 -1.88 1 68 PHE 7.70 -2.44 1 69 TRP 3.26 -0.62 1 70 SER 4.08 -0.61 1 71 VAL 6.13 -2.08 1 72 TYR 4.37 -0.39 1 73 ASN 1.98 -0.31 1 74 ASN -0.87 1.72 1 75 ILE 2.65 -1.65 1 78 VAL 4.70 -1.79 1 79 THR 2.66 -1.58 1 80 SER -1.28 1.13 1 81 LEU -0.10 -0.03 1 83 LEU 1.63 -0.27 1 84 ARG 6.72 -4.29 1 86 SER -4.09 2.92 1 87 TYR -7.58 4.33 1 88 HIS -6.94 6.34 1 89 LEU -0.95 0.31 1 93 GLU -1.13 -0.44 1 94 ARG 0.91 -0.57 1 95 ARG -1.68 0.40 1 97 LEU -4.40 1.86 1 98 TRP 5.65 -3.54 1 99 GLU 1.42 -1.11 1 100 GLU 0.16 -0.20 1 101 GLU 4.25 -0.95 1 102 SER 2.85 -1.19 1 103 ASN 0.63 -0.13 1 104 ALA 3.42 0.35 1 105 LYS 1.33 -2.03 1 108 VAL -7.44 1.58 1 110 LYS -2.85 1.59 1 111 MET -5.63 4.44 1 112 LYS -1.78 0.81 1 113 VAL -4.00 2.10 1 115 LYS 3.56 -1.64 1 116 ASP 2.39 -1.27 1 117 SER -0.08 1.21 1 118 THR 5.00 -1.75 1 119 SER 5.74 -1.60 1 120 THR 5.62 -0.95 1 121 VAL 5.87 -1.54 1 122 TRP 0.68 1.66 1 123 LYS 5.34 -0.82 1 124 GLU 2.34 -0.54 1 125 LEU 4.08 -1.60 1 126 LEU 3.49 -0.28 1 127 LEU 3.15 -1.24 1 128 ALA 2.03 -0.54 1 129 THR 8.03 -2.66 1 130 ILE 5.03 -2.45 1 133 GLN 4.01 -2.13 1 134 PHE 1.53 -1.18 1 135 THR 5.78 -1.14 1 136 ASP 1.70 -1.21 1 138 ALA -3.57 1.05 1 139 ALA -1.86 1.34 1 140 ALA 3.99 -1.52 1 141 ASP 1.60 -1.27 1 142 ASP -6.09 3.34 1 143 GLU -3.68 3.48 1 144 ILE 1.31 -3.88 1 145 ILE -0.88 0.95 1 147 VAL -5.12 3.10 1 148 SER -1.82 1.64 1 149 VAL -4.10 0.91 1 150 SER -3.50 1.12 1 151 VAL 0.77 -1.22 1 152 ARG -3.26 0.45 1 153 ASP 2.85 0.05 1 154 ARG 2.57 -0.55 1 155 GLU -2.36 1.08 1 156 ASP -1.19 0.88 1 157 VAL -3.63 2.31 1 158 VAL -4.20 1.51 1 159 GLN -6.01 3.37 1 160 VAL -2.30 1.77 1 161 TRP -2.47 1.37 1 162 ASN -3.22 1.02 1 163 VAL -1.94 1.91 1 164 ASN -1.76 -0.14 1 165 ALA 2.34 -0.43 1 166 SER 3.49 -1.18 1 167 LEU 0.01 -1.39 1 168 VAL 4.34 -1.47 1 170 GLU -1.97 0.75 1 171 ALA -1.97 1.45 1 172 THR 0.76 -2.12 1 173 VAL 3.97 -0.11 1 174 LEU 5.26 -2.55 1 175 GLU 5.13 -1.64 1 176 LYS 3.69 -2.62 1 177 ILE 7.18 -1.46 1 178 HIS 4.81 -0.46 1 179 GLN 3.47 -1.09 1 180 LEU 0.70 0.70 1 181 LEU -1.33 0.30 1 183 HIS -0.76 0.89 1 184 ILE -0.50 -2.93 1 185 ALA -0.60 -2.05 1 186 PHE 1.24 0.34 1 187 LYS 2.41 -2.83 1 188 ALA -0.52 0.56 1 189 VAL -1.32 0.56 1 190 PHE -2.03 0.63 1 191 TYR -1.16 0.31 1 192 LYS -5.54 2.68 1 194 HIS 0.98 1.44 1 195 GLU -0.55 0.14 1 196 GLU -0.38 0.19 1 197 HIS 0.41 1.17 1 199 ALA 0.59 -0.55 1 200 PHE 0.30 -0.44 1 201 GLU 0.37 -0.36 1 206 LYS 0.24 -0.25 1 207 HIS 1.18 1.32 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18663_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.58 _LACS_plot.Line_1_terminator_val_y_1 1.07 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.15 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.31 _LACS_plot.Line_2_terminator_val_x_2 8.03 _LACS_plot.Line_2_terminator_val_y_2 -0.79 _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 148 SER -1.82 1.57 0 147 VAL -5.12 1.86 0 95 ARG -1.68 -0.99 0 12 ALA 0.31 -0.02 1 13 ASN -0.25 -0.04 1 14 GLU 0.94 -0.07 1 16 LEU 1.73 -0.16 1 17 ASP 1.58 -0.23 1 18 LYS 2.10 -0.18 1 19 ALA 2.12 -0.16 1 20 LEU 1.81 -0.16 1 21 SER 1.44 -0.13 1 22 ALA -0.39 0.07 1 23 LEU 0.35 -0.18 1 26 GLU -1.73 0.25 1 30 VAL 0.82 -0.04 1 33 HIS 4.23 -0.51 1 34 SER -4.44 0.02 1 36 TRP -4.13 0.50 1 37 THR -1.28 1.02 1 38 PHE -3.54 1.08 1 39 TRP -4.92 0.80 1 40 LEU -4.04 1.22 1 41 ASP -5.28 0.77 1 42 ARG -1.02 0.61 1 43 SER 0.43 -0.03 1 44 LEU -0.38 -0.03 1 47 ALA -0.64 0.06 1 48 THR -2.11 0.06 1 49 ALA 3.44 -0.25 1 50 ALA 2.48 -0.19 1 51 GLU 1.25 -0.21 1 53 ALA 2.28 -0.17 1 54 SER 2.10 -0.03 1 55 ASN -0.56 0.13 1 56 LEU -1.19 0.69 1 57 LYS -3.78 0.56 1 58 LYS 2.06 -0.97 1 59 ILE 3.23 -0.10 1 60 TYR -3.71 -0.31 1 61 THR 1.11 0.86 1 62 VAL -3.59 0.67 1 63 GLN -1.55 0.45 1 64 THR -6.17 0.88 1 65 VAL 4.82 -0.61 1 66 GLN 6.39 -0.03 1 67 ILE 4.55 -0.13 1 68 PHE 7.70 -0.59 1 69 TRP 3.26 -0.42 1 70 SER 4.08 -0.27 1 71 VAL 6.13 -0.84 1 72 TYR 4.37 -1.32 1 73 ASN 1.98 -0.28 1 74 ASN -0.87 0.02 1 75 ILE 2.65 0.06 1 78 VAL 4.70 -0.40 1 79 THR 2.66 -0.25 1 80 SER -1.28 0.14 1 81 LEU -0.10 -0.36 1 83 LEU 1.63 -0.66 1 84 ARG 6.72 -0.57 1 86 SER -4.09 1.19 1 87 TYR -7.58 1.46 1 88 HIS -6.94 1.17 1 89 LEU -0.95 1.07 1 93 GLU -1.13 0.12 1 94 ARG 0.91 -0.30 1 97 LEU -4.40 0.27 1 98 TRP 5.65 -0.88 1 99 GLU 1.42 -0.95 1 100 GLU 0.16 -0.34 1 101 GLU 4.25 -0.41 1 102 SER 2.85 -0.17 1 103 ASN 0.63 0.31 1 104 ALA 3.42 0.24 1 105 LYS 1.33 0.34 1 108 VAL -7.44 1.11 1 110 LYS -2.85 0.57 1 111 MET -5.63 0.46 1 112 LYS -1.78 0.96 1 113 VAL -4.00 0.35 1 115 LYS 3.56 -0.14 1 116 ASP 2.39 -0.14 1 117 SER -0.08 0.37 1 118 THR 5.00 -0.44 1 119 SER 5.74 -0.25 1 120 THR 5.62 -0.18 1 121 VAL 5.87 -0.45 1 122 TRP 0.68 -0.43 1 123 LYS 5.34 -0.76 1 124 GLU 2.34 -0.29 1 125 LEU 4.08 -0.19 1 126 LEU 3.49 -0.99 1 127 LEU 3.15 -0.99 1 128 ALA 2.03 -0.60 1 129 THR 8.03 -0.59 1 130 ILE 5.03 -0.63 1 132 GLU 7.40 0.07 1 133 GLN 4.01 -0.32 1 134 PHE 1.53 0.19 1 135 THR 5.78 -0.44 1 136 ASP 1.70 0.17 1 138 ALA -3.57 0.39 1 139 ALA -1.86 -0.09 1 140 ALA 3.99 -0.18 1 141 ASP 1.60 0.11 1 142 ASP -6.09 0.35 1 143 GLU -3.68 0.01 1 144 ILE 1.31 1.01 1 145 ILE -0.88 0.46 1 149 VAL -4.10 1.04 1 150 SER -3.50 0.59 1 151 VAL 0.77 0.44 1 152 ARG -3.26 0.56 1 153 ASP 2.85 -0.30 1 154 ARG 2.57 -0.15 1 155 GLU -2.36 0.11 1 156 ASP -1.19 0.56 1 157 VAL -3.63 1.04 1 158 VAL -4.20 1.29 1 159 GLN -6.01 1.70 1 160 VAL -2.30 1.04 1 161 TRP -2.47 0.87 1 162 ASN -3.22 1.59 1 163 VAL -1.94 0.50 1 164 ASN -1.76 0.14 1 165 ALA 2.34 -0.04 1 166 SER 3.49 -0.14 1 167 LEU 0.01 0.38 1 168 VAL 4.34 -0.37 1 170 GLU -1.97 0.11 1 171 ALA -1.97 0.42 1 172 THR 0.76 0.56 1 173 VAL 3.97 -0.92 1 174 LEU 5.26 -0.79 1 175 GLU 5.13 -0.38 1 176 LYS 3.69 -0.17 1 177 ILE 7.18 -0.72 1 178 HIS 4.81 -0.51 1 179 GLN 3.47 -0.40 1 180 LEU 0.70 -0.24 1 181 LEU -1.33 0.13 1 183 HIS -0.76 0.03 1 184 ILE -0.50 -0.26 1 185 ALA -0.60 0.25 1 186 PHE 1.24 -0.10 1 187 LYS 2.41 0.19 1 188 ALA -0.52 0.01 1 189 VAL -1.32 0.90 1 190 PHE -2.03 0.32 1 191 TYR -1.16 0.25 1 192 LYS -5.54 0.01 1 194 HIS 0.98 -0.52 1 195 GLU -0.55 -0.23 1 196 GLU -0.38 -0.24 1 197 HIS 0.41 -0.32 1 199 ALA 0.59 -0.08 1 200 PHE 0.30 -0.05 1 201 GLU 0.37 -0.15 1 206 LYS 0.24 -0.06 1 207 HIS 1.18 -0.31 1 stop_ save_