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 bmr26644_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.78 _LACS_plot.Line_1_terminator_val_y_1 -3.13 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.09 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.18 _LACS_plot.Line_2_terminator_val_x_2 7.90 _LACS_plot.Line_2_terminator_val_y_2 5.12 _LACS_plot.Y_axis_chem_shift_offset 0.64 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 33 ASN 7.91 6.45 0 34 HIS 5.62 5.92 0 138 ASN -6.94 -0.97 0 10 ILE 0.73 -0.36 1 11 GLU -0.08 -0.50 1 12 VAL 0.98 -0.31 1 13 LEU -0.20 -0.99 1 14 THR -1.46 -1.06 1 16 LEU 1.09 -1.35 1 17 GLU 1.83 -1.47 1 20 ARG 3.66 2.05 1 21 ARG 1.89 0.91 1 22 ARG -0.82 -0.95 1 25 MET 1.88 0.11 1 27 THR -2.47 -2.86 1 28 ASP -2.28 -2.22 1 29 THR 2.57 0.10 1 30 THR 5.23 4.25 1 31 ARG 0.93 -0.09 1 35 LEU 4.82 3.00 1 37 GLN 5.63 3.45 1 38 GLU 3.85 2.14 1 39 VAL 6.22 3.98 1 40 ILE 6.00 4.74 1 41 ASP 5.31 3.20 1 42 ASN 4.12 3.84 1 44 VAL 6.85 3.80 1 45 ASP 5.16 3.46 1 46 GLU 2.00 1.27 1 47 ALA 2.97 1.51 1 48 LEU 3.67 2.34 1 49 ALA -0.06 -0.61 1 51 HIS -1.30 1.72 1 52 ALA -2.63 -2.06 1 53 LYS -0.71 -0.44 1 54 ARG -2.50 -1.01 1 55 VAL -2.51 -1.48 1 56 ASP -4.20 -1.74 1 57 VAL -1.25 -1.75 1 58 ILE -3.49 -1.02 1 59 LEU -2.24 -2.03 1 60 HIS -0.63 1.10 1 61 ALA 3.20 1.57 1 62 ASP 0.79 -1.72 1 63 GLN 7.71 1.95 1 64 SER -1.88 -1.98 1 65 LEU -5.59 -3.04 1 66 GLU -7.78 -4.00 1 67 VAL -1.97 -1.37 1 68 ILE -3.73 -1.37 1 69 ASP -6.18 -1.66 1 70 ASP 0.08 -1.82 1 72 ARG 2.20 1.89 1 74 MET 2.89 2.36 1 76 VAL -0.78 -2.70 1 77 ASP -0.14 -0.64 1 78 ILE 1.92 -1.17 1 79 HIS -0.49 1.95 1 81 GLU 0.84 0.94 1 82 GLU 0.53 0.47 1 84 VAL -2.60 -2.68 1 86 ALA 5.72 3.35 1 87 VAL 5.34 1.50 1 88 GLU 4.07 3.18 1 89 LEU 4.49 2.31 1 90 ILE 4.32 3.10 1 91 LEU 1.81 0.56 1 93 ARG -1.72 -2.10 1 95 HIS -0.56 0.37 1 96 ALA 0.34 -0.18 1 99 LYS 1.40 0.14 1 100 PHE 0.58 -0.60 1 101 SER -0.38 -0.38 1 103 LYS 1.55 0.17 1 104 ASN 0.75 0.02 1 105 TYR 0.72 -0.07 1 106 GLN 0.85 -0.20 1 107 PHE 0.95 -0.30 1 108 SER 0.07 -0.18 1 112 HIS -0.23 0.32 1 114 VAL 1.94 0.43 1 116 ILE 4.11 2.19 1 117 SER 4.35 2.07 1 118 VAL 5.47 3.29 1 119 VAL 5.61 2.73 1 120 ASN 2.94 1.61 1 121 ALA 1.91 1.71 1 122 LEU 0.06 -2.55 1 123 SER -0.34 1.21 1 124 LYS 2.95 1.15 1 125 ARG -0.80 -0.50 1 126 VAL -2.55 -0.28 1 127 GLU -4.19 -1.80 1 128 VAL -1.45 -1.64 1 129 ASN -5.19 -1.56 1 130 VAL -4.15 -1.45 1 131 ARG -0.19 -1.52 1 132 ARG -2.37 0.30 1 133 ASP 2.72 1.21 1 135 GLN -4.53 -1.89 1 136 VAL 0.30 -1.69 1 137 TYR -3.89 -1.70 1 139 ILE -2.78 -0.65 1 140 ALA -4.86 -1.81 1 141 PHE -6.14 -2.00 1 142 GLU -3.67 -0.41 1 143 ASN 2.59 0.92 1 145 GLU -4.53 -2.87 1 146 LYS 4.21 2.02 1 147 VAL -1.01 -1.43 1 148 GLN -3.62 -1.24 1 149 ASP -0.05 -0.05 1 150 LEU 0.94 0.28 1 151 GLN -4.17 -2.34 1 152 VAL 2.33 0.14 1 153 VAL -0.75 -2.04 1 155 THR -4.19 -2.40 1 158 LYS 4.38 2.89 1 159 ARG 1.98 -0.77 1 160 ASN 0.55 -0.90 1 161 THR -4.19 -2.44 1 163 THR -1.25 0.54 1 164 SER -3.18 -2.44 1 165 VAL -0.98 -0.73 1 166 HIS -7.46 -4.05 1 167 PHE -5.87 -2.61 1 168 TRP -3.07 -0.50 1 170 ASP 1.19 -0.18 1 171 GLU 4.92 2.68 1 172 THR 4.42 3.00 1 173 PHE 0.90 0.06 1 174 PHE -5.76 -1.49 1 175 ASP 4.01 2.46 1 176 SER -5.21 -3.37 1 178 ARG -0.00 -0.85 1 179 PHE 1.85 1.45 1 180 SER -0.42 -2.17 1 183 ARG 4.51 2.36 1 184 LEU 3.74 2.84 1 185 THR 5.90 4.26 1 186 HIS 3.70 4.59 1 187 VAL 4.94 2.89 1 188 LEU 5.50 2.50 1 189 LYS 5.26 2.88 1 190 ALA 3.74 1.54 1 191 LYS 3.40 -0.04 1 192 ALA 4.28 2.19 1 193 VAL 4.18 2.13 1 194 LEU 1.10 0.49 1 198 VAL 0.99 -0.58 1 199 GLU -2.10 -1.50 1 200 ILE -2.25 -2.56 1 201 THR -3.08 -1.68 1 202 PHE -6.00 -3.51 1 203 LYS -2.51 -1.88 1 204 ASP -2.41 -2.83 1 205 GLU 1.15 0.16 1 206 ILE 5.25 2.43 1 207 ASN 0.07 -0.05 1 208 ASN 3.72 0.73 1 209 THR -4.34 -2.38 1 210 GLU -3.30 -1.07 1 211 GLN -5.92 -1.82 1 212 ARG -3.74 -2.19 1 213 TRP -2.35 0.47 1 215 TYR -2.44 -0.35 1 216 GLN 4.73 4.67 1 217 ASP 0.26 -0.13 1 219 LEU 0.32 -0.57 1 220 GLU 0.50 -0.30 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26644_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.78 _LACS_plot.Line_1_terminator_val_y_1 4.65 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.91 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.18 _LACS_plot.Line_2_terminator_val_x_2 7.90 _LACS_plot.Line_2_terminator_val_y_2 -2.78 _LACS_plot.Y_axis_chem_shift_offset 0.64 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 33 ASN 7.91 -1.46 0 34 HIS 5.62 0.30 0 138 ASN -6.94 5.97 0 10 ILE 0.73 -1.09 1 11 GLU -0.08 -0.42 1 12 VAL 0.98 -1.29 1 13 LEU -0.20 -0.79 1 14 THR -1.46 0.40 1 16 LEU 1.09 -2.44 1 17 GLU 1.83 -3.30 1 20 ARG 3.66 -1.61 1 21 ARG 1.89 -0.98 1 22 ARG -0.82 -0.13 1 25 MET 1.88 -1.77 1 27 THR -2.47 -0.39 1 28 ASP -2.28 0.06 1 29 THR 2.57 -2.47 1 30 THR 5.23 -0.98 1 31 ARG 0.93 -1.02 1 35 LEU 4.82 -1.82 1 37 GLN 5.63 -2.18 1 38 GLU 3.85 -1.71 1 39 VAL 6.22 -2.24 1 40 ILE 6.00 -1.26 1 41 ASP 5.31 -2.11 1 42 ASN 4.12 -0.28 1 44 VAL 6.85 -3.05 1 45 ASP 5.16 -1.70 1 46 GLU 2.00 -0.73 1 47 ALA 2.97 -1.46 1 48 LEU 3.67 -1.33 1 49 ALA -0.06 -0.55 1 51 HIS -1.30 3.02 1 52 ALA -2.63 0.57 1 53 LYS -0.71 0.27 1 54 ARG -2.50 1.49 1 55 VAL -2.51 1.03 1 56 ASP -4.20 2.46 1 57 VAL -1.25 -0.50 1 58 ILE -3.49 2.47 1 59 LEU -2.24 0.21 1 60 HIS -0.63 1.73 1 61 ALA 3.20 -1.63 1 62 ASP 0.79 -2.51 1 63 GLN 7.71 -5.76 1 64 SER -1.88 -0.10 1 65 LEU -5.59 2.55 1 66 GLU -7.78 3.78 1 67 VAL -1.97 0.60 1 68 ILE -3.73 2.36 1 69 ASP -6.18 4.52 1 70 ASP 0.08 -1.90 1 72 ARG 2.20 -0.31 1 74 MET 2.89 -0.53 1 76 VAL -0.78 -1.92 1 77 ASP -0.14 -0.50 1 78 ILE 1.92 -3.09 1 79 HIS -0.49 2.44 1 81 GLU 0.84 0.10 1 82 GLU 0.53 -0.06 1 84 VAL -2.60 -0.08 1 86 ALA 5.72 -2.37 1 87 VAL 5.34 -3.84 1 88 GLU 4.07 -0.89 1 89 LEU 4.49 -2.18 1 90 ILE 4.32 -1.22 1 91 LEU 1.81 -1.25 1 93 ARG -1.72 -0.38 1 95 HIS -0.56 0.93 1 96 ALA 0.34 -0.52 1 99 LYS 1.40 -1.26 1 100 PHE 0.58 -1.18 1 101 SER -0.38 0.00 1 103 LYS 1.55 -1.38 1 104 ASN 0.75 -0.73 1 105 TYR 0.72 -0.79 1 106 GLN 0.85 -1.05 1 107 PHE 0.95 -1.25 1 108 SER 0.07 -0.25 1 112 HIS -0.23 0.55 1 114 VAL 1.94 -1.51 1 116 ILE 4.11 -1.92 1 117 SER 4.35 -2.28 1 118 VAL 5.47 -2.18 1 119 VAL 5.61 -2.88 1 120 ASN 2.94 -1.33 1 121 ALA 1.91 -0.20 1 122 LEU 0.06 -2.61 1 123 SER -0.34 1.55 1 124 LYS 2.95 -1.80 1 125 ARG -0.80 0.30 1 126 VAL -2.55 2.27 1 127 GLU -4.19 2.39 1 128 VAL -1.45 -0.19 1 129 ASN -5.19 3.63 1 130 VAL -4.15 2.70 1 131 ARG -0.19 -1.33 1 132 ARG -2.37 2.67 1 133 ASP 2.72 -1.51 1 135 GLN -4.53 2.64 1 136 VAL 0.30 -1.99 1 137 TYR -3.89 2.19 1 139 ILE -2.78 2.13 1 140 ALA -4.86 3.05 1 141 PHE -6.14 4.14 1 142 GLU -3.67 3.26 1 143 ASN 2.59 -1.67 1 145 GLU -4.53 1.66 1 146 LYS 4.21 -2.19 1 147 VAL -1.01 -0.42 1 148 GLN -3.62 2.38 1 149 ASP -0.05 0.00 1 150 LEU 0.94 -0.66 1 151 GLN -4.17 1.83 1 152 VAL 2.33 -2.19 1 153 VAL -0.75 -1.29 1 155 THR -4.19 1.79 1 158 LYS 4.38 -1.49 1 159 ARG 1.98 -2.75 1 160 ASN 0.55 -1.45 1 161 THR -4.19 1.75 1 163 THR -1.25 1.79 1 164 SER -3.18 0.74 1 165 VAL -0.98 0.25 1 166 HIS -7.46 3.41 1 167 PHE -5.87 3.26 1 168 TRP -3.07 2.57 1 170 ASP 1.19 -1.37 1 171 GLU 4.92 -2.24 1 172 THR 4.42 -1.42 1 173 PHE 0.90 -0.84 1 174 PHE -5.76 4.27 1 175 ASP 4.01 -1.55 1 176 SER -5.21 1.84 1 178 ARG -0.00 -0.85 1 179 PHE 1.85 -0.40 1 180 SER -0.42 -1.75 1 183 ARG 4.51 -2.15 1 184 LEU 3.74 -0.90 1 185 THR 5.90 -1.64 1 186 HIS 3.70 0.89 1 187 VAL 4.94 -2.05 1 188 LEU 5.50 -3.00 1 189 LYS 5.26 -2.38 1 190 ALA 3.74 -2.20 1 191 LYS 3.40 -3.44 1 192 ALA 4.28 -2.09 1 193 VAL 4.18 -2.05 1 194 LEU 1.10 -0.61 1 198 VAL 0.99 -1.57 1 199 GLU -2.10 0.60 1 200 ILE -2.25 -0.31 1 201 THR -3.08 1.40 1 202 PHE -6.00 2.49 1 203 LYS -2.51 0.63 1 204 ASP -2.41 -0.42 1 205 GLU 1.15 -0.99 1 206 ILE 5.25 -2.82 1 207 ASN 0.07 -0.12 1 208 ASN 3.72 -2.99 1 209 THR -4.34 1.96 1 210 GLU -3.30 2.23 1 211 GLN -5.92 4.10 1 212 ARG -3.74 1.55 1 213 TRP -2.35 2.82 1 215 TYR -2.44 2.09 1 216 GLN 4.73 -0.06 1 217 ASP 0.26 -0.39 1 219 LEU 0.32 -0.89 1 220 GLU 0.50 -0.80 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26644_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.78 _LACS_plot.Line_1_terminator_val_y_1 -2.94 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.30 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.12 _LACS_plot.Line_2_terminator_val_x_2 7.90 _LACS_plot.Line_2_terminator_val_y_2 2.34 _LACS_plot.Y_axis_chem_shift_offset 0.39 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 63 GLN 7.71 -2.40 0 10 ILE 0.73 -0.16 1 11 GLU -0.08 -0.58 1 12 VAL 0.98 -0.43 1 13 LEU -0.20 -0.49 1 14 THR -1.46 0.21 1 16 LEU 1.09 -2.22 1 20 ARG 3.66 1.68 1 21 ARG 1.89 1.09 1 25 MET 1.88 -0.47 1 27 THR -2.47 -2.75 1 28 ASP -2.28 -0.41 1 29 THR 2.57 0.75 1 30 THR 5.23 0.66 1 31 ARG 0.93 1.28 1 33 ASN 7.91 1.38 1 34 HIS 5.62 3.05 1 35 LEU 4.82 1.88 1 37 GLN 5.63 1.09 1 38 GLU 3.85 3.00 1 39 VAL 6.22 2.23 1 40 ILE 6.00 1.42 1 41 ASP 5.31 1.93 1 42 ASN 4.12 2.34 1 44 VAL 6.85 1.76 1 45 ASP 5.16 3.28 1 46 GLU 2.00 2.43 1 47 ALA 2.97 3.88 1 48 LEU 3.67 1.27 1 49 ALA -0.06 -0.79 1 51 HIS -1.30 0.94 1 52 ALA -2.63 -2.20 1 53 LYS -0.71 -0.16 1 54 ARG -2.50 -1.86 1 55 VAL -2.51 -2.63 1 56 ASP -4.20 -1.94 1 57 VAL -1.25 -1.08 1 58 ILE -3.49 -1.66 1 59 LEU -2.24 -2.92 1 60 HIS -0.63 1.99 1 61 ALA 3.20 -1.00 1 62 ASP 0.79 0.18 1 64 SER -1.88 -3.29 1 65 LEU -5.59 -3.82 1 66 GLU -7.78 -3.30 1 67 VAL -1.97 -1.69 1 68 ILE -3.73 -1.73 1 69 ASP -6.18 -1.55 1 70 ASP 0.08 1.09 1 72 ARG 2.20 1.57 1 76 VAL -0.78 -1.39 1 77 ASP -0.14 -0.26 1 78 ILE 1.92 -0.08 1 81 GLU 0.84 1.44 1 82 GLU 0.53 1.88 1 86 ALA 5.72 2.00 1 87 VAL 5.34 -1.64 1 88 GLU 4.07 0.82 1 89 LEU 4.49 1.33 1 90 ILE 4.32 0.67 1 91 LEU 1.81 0.71 1 95 HIS -0.56 1.02 1 96 ALA 0.34 0.26 1 99 LYS 1.40 -0.18 1 100 PHE 0.58 -0.14 1 101 SER -0.38 -0.48 1 103 LYS 1.55 -0.34 1 104 ASN 0.75 -0.23 1 105 TYR 0.72 -0.44 1 106 GLN 0.85 -0.59 1 107 PHE 0.95 0.08 1 108 SER 0.07 0.24 1 112 HIS -0.23 1.17 1 114 VAL 1.94 0.33 1 116 ILE 4.11 0.02 1 117 SER 4.35 2.34 1 118 VAL 5.47 -0.13 1 119 VAL 5.61 1.91 1 120 ASN 2.94 0.57 1 121 ALA 1.91 -1.48 1 122 LEU 0.06 -2.36 1 123 SER -0.34 0.06 1 124 LYS 2.95 0.59 1 125 ARG -0.80 -1.85 1 126 VAL -2.55 -1.68 1 127 GLU -4.19 -0.87 1 128 VAL -1.45 -2.37 1 129 ASN -5.19 -0.38 1 130 VAL -4.15 -2.23 1 131 ARG -0.19 -1.07 1 132 ARG -2.37 -0.60 1 133 ASP 2.72 -0.28 1 135 GLN -4.53 -4.18 1 136 VAL 0.30 -1.25 1 137 TYR -3.89 -0.33 1 138 ASN -6.94 -2.49 1 139 ILE -2.78 -5.50 1 140 ALA -4.86 -2.80 1 141 PHE -6.14 -1.08 1 142 GLU -3.67 1.30 1 143 ASN 2.59 -0.57 1 145 GLU -4.53 -0.92 1 146 LYS 4.21 0.11 1 147 VAL -1.01 -1.13 1 148 GLN -3.62 -2.49 1 149 ASP -0.05 -0.77 1 150 LEU 0.94 -0.60 1 151 GLN -4.17 -1.52 1 152 VAL 2.33 1.59 1 153 VAL -0.75 -0.50 1 155 THR -4.19 -1.51 1 158 LYS 4.38 1.69 1 159 ARG 1.98 -0.80 1 160 ASN 0.55 -2.32 1 161 THR -4.19 -0.59 1 163 THR -1.25 -1.65 1 164 SER -3.18 -0.63 1 165 VAL -0.98 -2.40 1 166 HIS -7.46 -1.18 1 167 PHE -5.87 -4.46 1 170 ASP 1.19 -0.04 1 171 GLU 4.92 0.34 1 172 THR 4.42 1.24 1 173 PHE 0.90 -1.46 1 174 PHE -5.76 0.34 1 175 ASP 4.01 1.20 1 178 ARG -0.00 0.84 1 179 PHE 1.85 1.03 1 180 SER -0.42 2.51 1 183 ARG 4.51 3.55 1 184 LEU 3.74 0.47 1 185 THR 5.90 1.47 1 186 HIS 3.70 4.13 1 187 VAL 4.94 1.15 1 188 LEU 5.50 -0.06 1 189 LYS 5.26 1.48 1 190 ALA 3.74 3.62 1 191 LYS 3.40 0.96 1 192 ALA 4.28 1.66 1 193 VAL 4.18 1.11 1 194 LEU 1.10 -1.46 1 198 VAL 0.99 -1.71 1 199 GLU -2.10 -2.06 1 200 ILE -2.25 -0.53 1 201 THR -3.08 -1.64 1 202 PHE -6.00 -2.20 1 203 LYS -2.51 -5.06 1 204 ASP -2.41 1.47 1 205 GLU 1.15 0.48 1 206 ILE 5.25 1.28 1 207 ASN 0.07 -0.69 1 208 ASN 3.72 -1.26 1 209 THR -4.34 -1.10 1 210 GLU -3.30 -1.97 1 211 GLN -5.92 -3.07 1 212 ARG -3.74 -2.18 1 213 TRP -2.35 -1.54 1 215 TYR -2.44 2.19 1 216 GLN 4.73 -0.56 1 217 ASP 0.26 0.18 1 219 LEU 0.32 -0.42 1 220 GLU 0.50 -0.39 1 stop_ save_