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 bmr26834_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.74 _LACS_plot.Line_1_terminator_val_y_1 -3.01 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.92 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.37 _LACS_plot.Line_2_terminator_val_x_2 5.76 _LACS_plot.Line_2_terminator_val_y_2 4.39 _LACS_plot.Y_axis_chem_shift_offset -0.11 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 160 PHE 5.21 5.68 0 68 LEU 3.51 -1.00 0 155 ASP 0.82 4.44 0 31 MET -0.36 -0.10 1 32 ALA -0.77 -1.72 1 35 ARG -0.22 -0.06 1 37 ALA 0.03 0.09 1 40 ALA 0.00 0.11 1 41 SER -0.23 -0.03 1 42 GLN -0.28 0.03 1 44 ALA 0.29 0.27 1 45 ASP -0.10 0.10 1 48 LYS 0.36 0.29 1 50 ALA -0.17 0.04 1 51 LYS 0.37 0.35 1 54 GLN 0.43 0.45 1 55 GLU 0.39 0.52 1 56 GLU -0.53 -0.11 1 57 GLU -0.47 0.05 1 58 GLU -0.25 0.26 1 59 ASP 0.27 0.34 1 60 ALA 1.27 0.98 1 61 TRP 0.92 0.60 1 62 SER 1.00 0.81 1 63 SER 1.34 1.16 1 64 ALA 1.22 0.92 1 65 LEU 1.37 0.99 1 66 ASN 0.94 0.79 1 67 ALA 0.67 0.57 1 69 LYS 0.44 0.29 1 70 THR -0.44 -0.21 1 71 ALA 0.13 0.25 1 78 ALA -0.70 -0.22 1 79 THR -2.20 -1.12 1 80 ILE 1.63 1.37 1 81 ASP 0.36 0.79 1 83 GLN 0.40 -0.36 1 86 LEU 1.57 0.37 1 87 SER 2.83 2.15 1 88 ALA -0.07 0.03 1 91 ASP 0.00 -0.06 1 92 ALA -2.47 -0.85 1 93 LYS -3.74 -1.26 1 94 VAL 2.68 1.89 1 95 TYR -0.96 0.70 1 96 GLU 3.45 2.01 1 99 ASP -5.07 -0.33 1 101 THR 1.09 1.48 1 102 LEU -5.58 -3.08 1 103 ASN -6.27 -0.76 1 104 GLN -1.72 -0.25 1 105 THR -0.51 -0.12 1 106 ASN -2.40 -0.49 1 107 ILE 3.32 2.49 1 108 SER 0.58 0.22 1 109 ALA 0.74 0.60 1 111 ASN -1.45 -0.58 1 112 ASN 0.32 0.53 1 113 LYS -4.85 -0.92 1 114 PHE -6.89 -2.39 1 115 TYR -4.33 0.88 1 116 ILE -3.51 -0.03 1 117 ILE -2.65 -1.12 1 118 GLN -6.72 -0.61 1 119 LEU -2.27 0.80 1 120 ILE -3.77 -1.64 1 121 GLU -5.14 -2.12 1 122 HIS -1.74 -0.95 1 125 THR -2.55 -1.73 1 126 TYR -2.98 -0.40 1 127 SER -4.18 0.11 1 128 THR -3.54 -1.75 1 129 TRP -7.36 -2.67 1 130 ASN -7.74 -3.03 1 131 ARG -3.77 -0.58 1 132 TRP -4.28 -0.85 1 134 ARG -0.97 -0.43 1 135 VAL 5.20 3.89 1 137 GLU -4.07 -2.36 1 138 VAL 4.49 3.50 1 140 GLN -4.14 -1.67 1 141 SER -5.43 -1.39 1 142 LYS -3.15 0.41 1 143 LEU -3.38 -1.44 1 144 LEU -5.95 -3.76 1 147 THR 1.22 0.77 1 148 SER -4.13 -1.76 1 149 LEU 4.35 2.11 1 150 GLU 4.45 3.48 1 151 ALA 2.59 2.30 1 152 ALA 2.79 1.87 1 153 LYS 4.35 4.10 1 154 LYS 4.54 3.56 1 156 PHE 3.55 4.09 1 157 GLU 4.31 4.08 1 158 LYS 4.73 3.93 1 159 LYS 4.58 2.39 1 161 TRP 3.30 2.72 1 162 GLU 3.24 2.89 1 163 LYS 0.73 -0.46 1 164 THR -2.15 0.47 1 165 LYS 2.81 0.98 1 166 ASN -4.68 -0.64 1 167 ARG -0.20 -1.04 1 168 TRP 1.98 2.68 1 169 ALA 2.03 1.51 1 170 ALA -1.36 -1.27 1 171 ARG 5.76 3.35 1 172 ASP 2.98 1.64 1 173 ASN -1.62 -1.18 1 174 PHE 1.07 1.82 1 175 VAL -2.00 -0.76 1 176 ALA 0.91 0.30 1 177 GLN -1.82 -1.99 1 180 LYS -2.14 -3.51 1 181 TYR -0.21 0.80 1 182 THR -2.78 -1.68 1 183 LEU -1.13 -0.16 1 184 ILE -0.13 -0.49 1 185 GLU -1.18 -0.26 1 186 VAL 0.11 0.10 1 187 GLN -0.30 -0.16 1 190 ALA 0.06 0.29 1 192 GLN -0.03 0.18 1 193 GLU 0.14 0.28 1 194 VAL 0.26 0.16 1 195 ALA -0.29 -0.12 1 196 LEU -0.23 -0.08 1 197 ARG -0.16 -0.02 1 198 VAL -0.29 -0.21 1 199 ASP 0.42 1.71 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26834_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.74 _LACS_plot.Line_1_terminator_val_y_1 4.73 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.08 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.63 _LACS_plot.Line_2_terminator_val_x_2 5.76 _LACS_plot.Line_2_terminator_val_y_2 -1.37 _LACS_plot.Y_axis_chem_shift_offset -0.11 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 160 PHE 5.21 0.47 0 68 LEU 3.51 -4.51 0 155 ASP 0.82 3.62 0 31 MET -0.36 0.26 1 32 ALA -0.77 -0.95 1 35 ARG -0.22 0.16 1 37 ALA 0.03 0.06 1 40 ALA 0.00 0.11 1 41 SER -0.23 0.20 1 42 GLN -0.28 0.31 1 44 ALA 0.29 -0.02 1 45 ASP -0.10 0.20 1 48 LYS 0.36 -0.07 1 50 ALA -0.17 0.21 1 51 LYS 0.37 -0.02 1 54 GLN 0.43 0.02 1 55 GLU 0.39 0.13 1 56 GLU -0.53 0.42 1 57 GLU -0.47 0.52 1 58 GLU -0.25 0.51 1 59 ASP 0.27 0.07 1 60 ALA 1.27 -0.29 1 61 TRP 0.92 -0.32 1 62 SER 1.00 -0.19 1 63 SER 1.34 -0.18 1 64 ALA 1.22 -0.30 1 65 LEU 1.37 -0.38 1 66 ASN 0.94 -0.15 1 67 ALA 0.67 -0.10 1 69 LYS 0.44 -0.15 1 70 THR -0.44 0.23 1 71 ALA 0.13 0.12 1 78 ALA -0.70 0.48 1 79 THR -2.20 1.08 1 80 ILE 1.63 -0.26 1 81 ASP 0.36 0.43 1 83 GLN 0.40 -0.76 1 86 LEU 1.57 -1.20 1 87 SER 2.83 -0.68 1 88 ALA -0.07 0.10 1 91 ASP 0.00 -0.06 1 92 ALA -2.47 1.62 1 93 LYS -3.74 2.48 1 94 VAL 2.68 -0.79 1 95 TYR -0.96 1.66 1 96 GLU 3.45 -1.44 1 99 ASP -5.07 4.74 1 101 THR 1.09 0.39 1 102 LEU -5.58 2.50 1 103 ASN -6.27 5.51 1 104 GLN -1.72 1.47 1 105 THR -0.51 0.39 1 106 ASN -2.40 1.91 1 107 ILE 3.32 -0.83 1 108 SER 0.58 -0.36 1 109 ALA 0.74 -0.14 1 111 ASN -1.45 0.87 1 112 ASN 0.32 0.21 1 113 LYS -4.85 3.93 1 114 PHE -6.89 4.50 1 115 TYR -4.33 5.21 1 116 ILE -3.51 3.48 1 117 ILE -2.65 1.53 1 118 GLN -6.72 6.11 1 119 LEU -2.27 3.07 1 120 ILE -3.77 2.13 1 121 GLU -5.14 3.02 1 122 HIS -1.74 0.79 1 125 THR -2.55 0.82 1 126 TYR -2.98 2.58 1 127 SER -4.18 4.29 1 128 THR -3.54 1.79 1 129 TRP -7.36 4.69 1 130 ASN -7.74 4.71 1 131 ARG -3.77 3.19 1 132 TRP -4.28 3.43 1 134 ARG -0.97 0.54 1 135 VAL 5.20 -1.31 1 137 GLU -4.07 1.71 1 138 VAL 4.49 -0.99 1 140 GLN -4.14 2.47 1 141 SER -5.43 4.04 1 142 LYS -3.15 3.56 1 143 LEU -3.38 1.94 1 144 LEU -5.95 2.19 1 147 THR 1.22 -0.45 1 148 SER -4.13 2.37 1 149 LEU 4.35 -2.24 1 150 GLU 4.45 -0.97 1 151 ALA 2.59 -0.29 1 152 ALA 2.79 -0.92 1 153 LYS 4.35 -0.25 1 154 LYS 4.54 -0.98 1 156 PHE 3.55 0.54 1 157 GLU 4.31 -0.23 1 158 LYS 4.73 -0.80 1 159 LYS 4.58 -2.19 1 161 TRP 3.30 -0.58 1 162 GLU 3.24 -0.35 1 163 LYS 0.73 -1.19 1 164 THR -2.15 2.62 1 165 LYS 2.81 -1.83 1 166 ASN -4.68 4.04 1 167 ARG -0.20 -0.84 1 168 TRP 1.98 0.70 1 169 ALA 2.03 -0.52 1 170 ALA -1.36 0.09 1 171 ARG 5.76 -2.41 1 172 ASP 2.98 -1.34 1 173 ASN -1.62 0.44 1 174 PHE 1.07 0.75 1 175 VAL -2.00 1.24 1 176 ALA 0.91 -0.61 1 177 GLN -1.82 -0.17 1 180 LYS -2.14 -1.37 1 181 TYR -0.21 1.01 1 182 THR -2.78 1.10 1 183 LEU -1.13 0.97 1 184 ILE -0.13 -0.36 1 185 GLU -1.18 0.92 1 186 VAL 0.11 -0.01 1 187 GLN -0.30 0.14 1 190 ALA 0.06 0.23 1 192 GLN -0.03 0.21 1 193 GLU 0.14 0.14 1 194 VAL 0.26 -0.10 1 195 ALA -0.29 0.17 1 196 LEU -0.23 0.15 1 197 ARG -0.16 0.14 1 198 VAL -0.29 0.08 1 199 ASP 0.42 1.29 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26834_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.74 _LACS_plot.Line_1_terminator_val_y_1 -2.70 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.55 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.88 _LACS_plot.Line_2_terminator_val_x_2 5.76 _LACS_plot.Line_2_terminator_val_y_2 1.99 _LACS_plot.Y_axis_chem_shift_offset 0.13 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 68 LEU 3.51 -2.82 0 199 ASP 0.42 4.46 0 31 MET -0.36 -0.80 1 35 ARG -0.22 -0.25 1 37 ALA 0.03 -1.00 1 40 ALA 0.00 0.02 1 41 SER -0.23 -0.55 1 44 ALA 0.29 -0.06 1 45 ASP -0.10 0.74 1 48 LYS 0.36 0.13 1 50 ALA -0.17 -0.04 1 51 LYS 0.37 0.62 1 54 GLN 0.43 0.19 1 55 GLU 0.39 0.07 1 57 GLU -0.47 0.08 1 58 GLU -0.25 -0.12 1 59 ASP 0.27 0.23 1 60 ALA 1.27 0.53 1 61 TRP 0.92 0.87 1 62 SER 1.00 0.68 1 63 SER 1.34 0.64 1 64 ALA 1.22 0.76 1 65 LEU 1.37 0.38 1 66 ASN 0.94 0.31 1 67 ALA 0.67 0.04 1 69 LYS 0.44 0.11 1 70 THR -0.44 -0.81 1 71 ALA 0.13 -0.52 1 78 ALA -0.70 -0.59 1 79 THR -2.20 -0.11 1 80 ILE 1.63 -1.04 1 81 ASP 0.36 2.09 1 83 GLN 0.40 -0.16 1 86 LEU 1.57 -0.16 1 87 SER 2.83 -0.13 1 88 ALA -0.07 -0.12 1 91 ASP 0.00 -0.94 1 92 ALA -2.47 -1.30 1 93 LYS -3.74 -1.74 1 94 VAL 2.68 -0.24 1 95 TYR -0.96 -3.14 1 96 GLU 3.45 -2.72 1 99 ASP -5.07 -1.23 1 101 THR 1.09 -2.29 1 102 LEU -5.58 0.39 1 103 ASN -6.27 -1.92 1 104 GLN -1.72 -1.28 1 105 THR -0.51 -1.08 1 106 ASN -2.40 -0.23 1 107 ILE 3.32 0.90 1 108 SER 0.58 0.13 1 109 ALA 0.74 0.00 1 111 ASN -1.45 -1.01 1 112 ASN 0.32 -0.05 1 113 LYS -4.85 -0.91 1 114 PHE -6.89 -1.22 1 115 TYR -4.33 -2.14 1 116 ILE -3.51 -1.39 1 117 ILE -2.65 -1.52 1 118 GLN -6.72 -1.64 1 119 LEU -2.27 -2.74 1 120 ILE -3.77 -2.12 1 121 GLU -5.14 -1.40 1 122 HIS -1.74 1.18 1 125 THR -2.55 -3.42 1 126 TYR -2.98 -0.60 1 127 SER -4.18 0.43 1 128 THR -3.54 -1.19 1 129 TRP -7.36 -1.98 1 130 ASN -7.74 -3.07 1 131 ARG -3.77 -3.38 1 132 TRP -4.28 -3.24 1 134 ARG -0.97 0.29 1 135 VAL 5.20 0.74 1 137 GLU -4.07 -0.42 1 138 VAL 4.49 1.15 1 140 GLN -4.14 -3.17 1 141 SER -5.43 -0.22 1 142 LYS -3.15 -2.83 1 143 LEU -3.38 -2.36 1 144 LEU -5.95 -4.47 1 147 THR 1.22 -0.27 1 148 SER -4.13 -1.26 1 149 LEU 4.35 0.30 1 150 GLU 4.45 1.95 1 151 ALA 2.59 1.58 1 152 ALA 2.79 0.83 1 153 LYS 4.35 2.00 1 154 LYS 4.54 2.74 1 155 ASP 0.82 1.44 1 156 PHE 3.55 1.43 1 157 GLU 4.31 3.63 1 158 LYS 4.73 1.85 1 159 LYS 4.58 1.50 1 160 PHE 5.21 3.24 1 161 TRP 3.30 2.97 1 162 GLU 3.24 2.31 1 163 LYS 0.73 1.10 1 164 THR -2.15 1.52 1 165 LYS 2.81 -2.91 1 166 ASN -4.68 -1.80 1 167 ARG -0.20 2.73 1 168 TRP 1.98 2.85 1 169 ALA 2.03 -0.19 1 170 ALA -1.36 1.08 1 171 ARG 5.76 -0.31 1 172 ASP 2.98 -0.23 1 173 ASN -1.62 -1.90 1 174 PHE 1.07 -0.15 1 175 VAL -2.00 -1.11 1 176 ALA 0.91 -0.18 1 177 GLN -1.82 0.19 1 180 LYS -2.14 -0.07 1 181 TYR -0.21 0.17 1 182 THR -2.78 -1.64 1 183 LEU -1.13 -1.35 1 184 ILE -0.13 -0.93 1 185 GLU -1.18 -0.52 1 186 VAL 0.11 -0.47 1 187 GLN -0.30 -0.37 1 190 ALA 0.06 0.65 1 192 GLN -0.03 0.00 1 193 GLU 0.14 -0.04 1 194 VAL 0.26 -0.56 1 195 ALA -0.29 -0.48 1 196 LEU -0.23 -0.66 1 197 ARG -0.16 -0.36 1 198 VAL -0.29 -1.38 1 stop_ save_