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 bmr25768_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.99 _LACS_plot.Line_1_terminator_val_y_1 -3.21 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.23 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.71 _LACS_plot.Line_2_terminator_val_x_2 5.06 _LACS_plot.Line_2_terminator_val_y_2 3.21 _LACS_plot.Y_axis_chem_shift_offset -0.41 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 52 MET 1.36 -2.95 0 10 ARG -3.06 -2.08 1 13 PHE -2.85 -1.36 1 14 ALA -3.82 -2.56 1 15 THR 0.07 1.64 1 19 ASP 0.16 0.51 1 20 ASP 0.06 0.27 1 21 SER 0.91 1.19 1 22 SER 0.55 0.86 1 23 SER 0.34 0.75 1 24 ASP 0.54 0.71 1 25 ILE 0.85 0.78 1 26 LYS 0.53 0.32 1 27 LEU 0.39 0.49 1 28 ASP 0.32 0.60 1 30 ALA 0.39 0.64 1 31 LYS 0.79 0.67 1 32 GLN 0.40 0.58 1 33 ARG 0.54 0.68 1 35 THR -0.19 0.34 1 36 LYS 0.22 0.40 1 37 ALA -0.15 0.36 1 38 THR -0.34 0.21 1 39 VAL 0.23 0.27 1 40 ASP 0.09 0.58 1 41 SER 0.08 0.70 1 42 ASP 0.06 0.58 1 43 THR 0.47 1.32 1 44 GLN -2.76 -0.59 1 45 LEU -0.28 -0.41 1 47 LEU -5.75 -1.35 1 48 THR -5.41 -2.85 1 49 PHE -5.38 -2.62 1 50 THR -3.00 0.94 1 51 TYR -4.49 -1.66 1 53 PHE -0.41 -0.59 1 54 ALA -5.36 -1.76 1 55 ASP 5.06 4.39 1 56 LYS -2.35 -0.94 1 57 TRP -6.96 -2.09 1 59 VAL -4.52 -2.25 1 60 GLU -8.86 -3.66 1 61 LEU -5.29 -1.71 1 62 VAL -2.69 -0.85 1 63 ALA -4.76 -1.36 1 64 ALA -4.57 -1.08 1 65 THR -3.16 -0.94 1 67 PHE 0.57 1.14 1 68 ASN -0.19 0.33 1 69 HIS -0.01 0.95 1 70 GLN 0.38 0.64 1 71 VAL 0.15 0.34 1 72 ASP -0.24 0.14 1 73 VAL 1.12 0.77 1 74 LYS 1.10 0.86 1 76 LEU -0.08 0.31 1 80 LEU 0.44 0.62 1 81 ASP 0.28 0.57 1 83 LYS 0.50 0.42 1 84 LEU 0.42 0.45 1 85 ALA -0.28 0.29 1 86 ASP 0.03 0.32 1 87 ILE -0.40 0.06 1 88 LYS 0.30 0.10 1 89 GLN -1.66 -0.49 1 90 LEU -1.03 -0.38 1 93 THR -2.07 0.81 1 94 LEU -5.32 -1.58 1 95 LEU -2.81 0.09 1 96 LEU -2.84 -0.68 1 97 GLN -8.16 -0.96 1 98 TYR -6.36 -2.74 1 99 TYR -2.17 -1.58 1 101 MET 0.84 -1.90 1 104 THR -3.17 -0.90 1 105 ASN 0.42 -0.22 1 106 SER -0.34 0.40 1 107 ALA 2.29 1.88 1 108 PHE -2.48 -1.56 1 109 GLN -1.64 -1.39 1 111 TYR -1.28 -1.43 1 114 LEU -6.72 -1.18 1 116 VAL -6.93 -3.23 1 117 ASN -4.46 -0.91 1 119 THR 0.97 1.34 1 120 THR -0.24 0.10 1 121 PHE 0.15 1.02 1 122 PHE -0.08 0.19 1 123 ASP -0.40 0.33 1 124 GLU 0.47 1.02 1 125 ASP 0.86 0.98 1 126 LEU 1.60 1.35 1 127 ALA 1.38 1.28 1 128 SER 1.28 1.28 1 129 ASN 1.08 1.08 1 130 ARG 1.64 1.24 1 131 LYS 1.08 0.85 1 132 ALA 0.42 0.57 1 133 GLN 0.43 0.70 1 135 PHE 0.56 0.67 1 136 SER 0.17 0.57 1 137 SER 0.24 0.58 1 138 MET 0.44 0.78 1 139 LYS 0.05 0.17 1 140 LEU 0.55 0.61 1 141 GLN -0.05 0.50 1 142 ASP -0.16 0.50 1 143 SER -0.81 0.15 1 144 TRP -2.64 -1.08 1 149 GLU -8.99 -1.48 1 150 LEU -5.95 -0.84 1 152 PHE -1.62 0.47 1 153 ASP -4.70 -1.26 1 154 TYR -3.83 -0.59 1 155 MET 3.92 -0.68 1 156 LEU 0.30 0.94 1 157 ASN 1.18 -0.45 1 158 GLU 3.58 3.41 1 159 HIS -1.86 1.77 1 160 ALA -3.23 -0.77 1 161 LEU -4.06 -0.82 1 162 PHE -5.02 -1.28 1 163 ASN -8.27 -0.76 1 164 MET -5.09 -0.22 1 165 ALA -4.10 -0.87 1 166 VAL -4.88 -2.49 1 171 ILE 0.12 0.62 1 172 ASP -0.05 0.26 1 173 THR 0.84 0.88 1 174 LYS 0.93 0.62 1 175 ALA -0.14 0.34 1 176 SER -0.48 0.09 1 177 ILE 0.17 0.47 1 178 ASN 1.20 3.80 1 181 SER 0.33 0.60 1 182 ALA 0.38 0.59 1 183 LEU 0.42 0.55 1 185 VAL 0.67 0.54 1 186 ASN 0.23 0.49 1 187 LYS 0.40 0.55 1 188 THR 0.08 0.56 1 189 LYS 0.14 0.39 1 190 VAL 0.11 0.20 1 191 ASP 0.10 0.45 1 192 VAL -0.48 -0.09 1 193 ASP 0.03 0.34 1 194 VAL -1.21 -0.43 1 195 ASP -2.11 -2.26 1 198 VAL -3.94 -0.93 1 199 TYR -4.54 -1.68 1 200 MET -4.90 -0.69 1 201 ILE -4.20 -1.28 1 203 PHE -7.27 -1.81 1 205 TYR -6.31 -0.71 1 206 LYS -2.77 -1.43 1 207 PHE -0.85 0.47 1 208 LEU -1.62 -0.19 1 209 GLU -0.48 0.31 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25768_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.99 _LACS_plot.Line_1_terminator_val_y_1 5.78 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.77 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 1.29 _LACS_plot.Line_2_terminator_val_x_2 5.06 _LACS_plot.Line_2_terminator_val_y_2 -1.85 _LACS_plot.Y_axis_chem_shift_offset -0.41 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 52 MET 1.36 -4.31 0 10 ARG -3.06 0.98 1 13 PHE -2.85 1.49 1 14 ALA -3.82 1.26 1 15 THR 0.07 1.57 1 19 ASP 0.16 0.35 1 20 ASP 0.06 0.21 1 21 SER 0.91 0.28 1 22 SER 0.55 0.31 1 23 SER 0.34 0.41 1 24 ASP 0.54 0.17 1 25 ILE 0.85 -0.07 1 26 LYS 0.53 -0.21 1 27 LEU 0.39 0.10 1 28 ASP 0.32 0.28 1 30 ALA 0.39 0.25 1 31 LYS 0.79 -0.12 1 32 GLN 0.40 0.18 1 33 ARG 0.54 0.14 1 35 THR -0.19 0.53 1 36 LYS 0.22 0.18 1 37 ALA -0.15 0.51 1 38 THR -0.34 0.55 1 39 VAL 0.23 0.04 1 40 ASP 0.09 0.49 1 41 SER 0.08 0.62 1 42 ASP 0.06 0.52 1 43 THR 0.47 0.85 1 44 GLN -2.76 2.17 1 45 LEU -0.28 -0.13 1 47 LEU -5.75 4.40 1 48 THR -5.41 2.56 1 49 PHE -5.38 2.76 1 50 THR -3.00 3.94 1 51 TYR -4.49 2.83 1 53 PHE -0.41 -0.18 1 54 ALA -5.36 3.60 1 55 ASP 5.06 -0.67 1 56 LYS -2.35 1.41 1 57 TRP -6.96 4.87 1 59 VAL -4.52 2.27 1 60 GLU -8.86 5.20 1 61 LEU -5.29 3.58 1 62 VAL -2.69 1.84 1 63 ALA -4.76 3.40 1 64 ALA -4.57 3.49 1 65 THR -3.16 2.22 1 67 PHE 0.57 0.57 1 68 ASN -0.19 0.52 1 69 HIS -0.01 0.96 1 70 GLN 0.38 0.26 1 71 VAL 0.15 0.19 1 72 ASP -0.24 0.38 1 73 VAL 1.12 -0.35 1 74 LYS 1.10 -0.24 1 76 LEU -0.08 0.39 1 80 LEU 0.44 0.18 1 81 ASP 0.28 0.29 1 83 LYS 0.50 -0.08 1 84 LEU 0.42 0.03 1 85 ALA -0.28 0.57 1 86 ASP 0.03 0.29 1 87 ILE -0.40 0.46 1 88 LYS 0.30 -0.20 1 89 GLN -1.66 1.17 1 90 LEU -1.03 0.65 1 93 THR -2.07 2.88 1 94 LEU -5.32 3.74 1 95 LEU -2.81 2.90 1 96 LEU -2.84 2.16 1 97 GLN -8.16 7.20 1 98 TYR -6.36 3.62 1 99 TYR -2.17 0.59 1 101 MET 0.84 -2.74 1 104 THR -3.17 2.27 1 105 ASN 0.42 -0.64 1 106 SER -0.34 0.74 1 107 ALA 2.29 -0.41 1 108 PHE -2.48 0.92 1 109 GLN -1.64 0.25 1 111 TYR -1.28 -0.15 1 114 LEU -6.72 5.54 1 116 VAL -6.93 3.70 1 117 ASN -4.46 3.55 1 119 THR 0.97 0.37 1 120 THR -0.24 0.34 1 121 PHE 0.15 0.87 1 122 PHE -0.08 0.27 1 123 ASP -0.40 0.73 1 124 GLU 0.47 0.55 1 125 ASP 0.86 0.12 1 126 LEU 1.60 -0.25 1 127 ALA 1.38 -0.10 1 128 SER 1.28 0.00 1 129 ASN 1.08 0.00 1 130 ARG 1.64 -0.40 1 131 LYS 1.08 -0.23 1 132 ALA 0.42 0.15 1 133 GLN 0.43 0.27 1 135 PHE 0.56 0.11 1 136 SER 0.17 0.40 1 137 SER 0.24 0.34 1 138 MET 0.44 0.34 1 139 LYS 0.05 0.12 1 140 LEU 0.55 0.06 1 141 GLN -0.05 0.55 1 142 ASP -0.16 0.66 1 143 SER -0.81 0.96 1 144 TRP -2.64 1.56 1 149 GLU -8.99 7.51 1 150 LEU -5.95 5.11 1 152 PHE -1.62 2.09 1 153 ASP -4.70 3.44 1 154 TYR -3.83 3.24 1 155 MET 3.92 -4.60 1 156 LEU 0.30 0.64 1 157 ASN 1.18 -1.63 1 158 GLU 3.58 -0.17 1 159 HIS -1.86 3.63 1 160 ALA -3.23 2.46 1 161 LEU -4.06 3.24 1 162 PHE -5.02 3.74 1 163 ASN -8.27 7.51 1 164 MET -5.09 4.87 1 165 ALA -4.10 3.23 1 166 VAL -4.88 2.39 1 171 ILE 0.12 0.50 1 172 ASP -0.05 0.31 1 173 THR 0.84 0.04 1 174 LYS 0.93 -0.31 1 175 ALA -0.14 0.48 1 176 SER -0.48 0.57 1 177 ILE 0.17 0.30 1 178 ASN 1.20 2.60 1 181 SER 0.33 0.27 1 182 ALA 0.38 0.21 1 183 LEU 0.42 0.13 1 185 VAL 0.67 -0.13 1 186 ASN 0.23 0.26 1 187 LYS 0.40 0.15 1 188 THR 0.08 0.48 1 189 LYS 0.14 0.25 1 190 VAL 0.11 0.09 1 191 ASP 0.10 0.35 1 192 VAL -0.48 0.39 1 193 ASP 0.03 0.31 1 194 VAL -1.21 0.78 1 195 ASP -2.11 -0.15 1 198 VAL -3.94 3.01 1 199 TYR -4.54 2.86 1 200 MET -4.90 4.21 1 201 ILE -4.20 2.92 1 203 PHE -7.27 5.46 1 205 TYR -6.31 5.60 1 206 LYS -2.77 1.34 1 207 PHE -0.85 1.32 1 208 LEU -1.62 1.43 1 209 GLU -0.48 0.79 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25768_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.99 _LACS_plot.Line_1_terminator_val_y_1 -3.45 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.23 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.31 _LACS_plot.Line_2_terminator_val_x_2 5.06 _LACS_plot.Line_2_terminator_val_y_2 1.91 _LACS_plot.Y_axis_chem_shift_offset 0.42 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 178 ASN 1.20 5.56 0 10 ARG -3.06 -1.27 1 13 PHE -2.85 -1.61 1 14 ALA -3.82 -1.24 1 19 ASP 0.16 -0.35 1 20 ASP 0.06 0.46 1 21 SER 0.91 0.57 1 22 SER 0.55 0.34 1 23 SER 0.34 -0.26 1 24 ASP 0.54 -0.05 1 25 ILE 0.85 -0.21 1 26 LYS 0.53 0.04 1 27 LEU 0.39 -0.49 1 28 ASP 0.32 0.66 1 30 ALA 0.39 0.24 1 31 LYS 0.79 0.17 1 32 GLN 0.40 0.00 1 33 ARG 0.54 0.52 1 35 THR -0.19 -0.15 1 36 LYS 0.22 -0.56 1 37 ALA -0.15 -0.23 1 38 THR -0.34 -0.16 1 39 VAL 0.23 -0.68 1 40 ASP 0.09 -0.11 1 41 SER 0.08 -0.43 1 42 ASP 0.06 -0.56 1 43 THR 0.47 -1.07 1 44 GLN -2.76 -1.92 1 45 LEU -0.28 -1.63 1 47 LEU -5.75 -2.20 1 48 THR -5.41 -2.18 1 49 PHE -5.38 -1.10 1 50 THR -3.00 -1.45 1 51 TYR -4.49 -1.05 1 52 MET 1.36 -1.81 1 53 PHE -0.41 -2.08 1 54 ALA -5.36 -2.78 1 55 ASP 5.06 -1.52 1 56 LYS -2.35 -1.66 1 57 TRP -6.96 -2.16 1 59 VAL -4.52 -3.30 1 60 GLU -8.86 -2.13 1 61 LEU -5.29 -2.65 1 62 VAL -2.69 -2.34 1 63 ALA -4.76 -3.87 1 64 ALA -4.57 -1.03 1 65 THR -3.16 -1.98 1 67 PHE 0.57 -0.32 1 68 ASN -0.19 -0.46 1 69 HIS -0.01 0.27 1 70 GLN 0.38 -0.26 1 71 VAL 0.15 -0.80 1 72 ASP -0.24 0.00 1 73 VAL 1.12 0.05 1 74 LYS 1.10 0.53 1 76 LEU -0.08 -0.19 1 80 LEU 0.44 -0.50 1 81 ASP 0.28 0.58 1 83 LYS 0.50 0.01 1 84 LEU 0.42 -0.68 1 85 ALA -0.28 -0.74 1 86 ASP 0.03 -0.48 1 87 ILE -0.40 -0.66 1 88 LYS 0.30 -1.26 1 89 GLN -1.66 -1.00 1 90 LEU -1.03 -1.46 1 93 THR -2.07 -3.34 1 94 LEU -5.32 -2.47 1 95 LEU -2.81 -2.06 1 96 LEU -2.84 -2.64 1 97 GLN -8.16 -1.62 1 98 TYR -6.36 -2.44 1 99 TYR -2.17 0.58 1 101 MET 0.84 1.94 1 104 THR -3.17 -0.41 1 105 ASN 0.42 -0.15 1 106 SER -0.34 1.40 1 107 ALA 2.29 -1.19 1 108 PHE -2.48 -1.53 1 109 GLN -1.64 -2.10 1 111 TYR -1.28 -2.05 1 114 LEU -6.72 -1.79 1 116 VAL -6.93 -2.18 1 119 THR 0.97 -0.35 1 120 THR -0.24 -0.48 1 121 PHE 0.15 -0.89 1 122 PHE -0.08 -0.73 1 123 ASP -0.40 -0.15 1 124 GLU 0.47 0.03 1 125 ASP 0.86 0.64 1 126 LEU 1.60 0.42 1 127 ALA 1.38 0.80 1 128 SER 1.28 0.41 1 129 ASN 1.08 0.39 1 130 ARG 1.64 0.42 1 131 LYS 1.08 0.15 1 132 ALA 0.42 -0.12 1 133 GLN 0.43 0.38 1 135 PHE 0.56 0.20 1 136 SER 0.17 0.02 1 137 SER 0.24 -0.19 1 138 MET 0.44 -0.62 1 139 LYS 0.05 -0.38 1 140 LEU 0.55 -0.50 1 141 GLN -0.05 -0.83 1 142 ASP -0.16 -0.46 1 143 SER -0.81 -1.31 1 144 TRP -2.64 -0.22 1 149 GLU -8.99 -2.39 1 150 LEU -5.95 -3.19 1 152 PHE -1.62 -4.29 1 153 ASP -4.70 0.22 1 154 TYR -3.83 -0.29 1 155 MET 3.92 -1.33 1 156 LEU 0.30 0.08 1 157 ASN 1.18 -1.56 1 158 GLU 3.58 -0.51 1 159 HIS -1.86 -0.97 1 160 ALA -3.23 -1.60 1 161 LEU -4.06 -2.67 1 162 PHE -5.02 -3.84 1 163 ASN -8.27 -3.88 1 164 MET -5.09 -3.47 1 165 ALA -4.10 -3.56 1 166 VAL -4.88 -3.35 1 171 ILE 0.12 -0.65 1 172 ASP -0.05 0.29 1 173 THR 0.84 0.33 1 174 LYS 0.93 -0.26 1 175 ALA -0.14 -0.25 1 176 SER -0.48 -0.36 1 177 ILE 0.17 -1.41 1 181 SER 0.33 0.11 1 182 ALA 0.38 -0.24 1 183 LEU 0.42 0.25 1 185 VAL 0.67 -0.41 1 186 ASN 0.23 -0.23 1 187 LYS 0.40 -0.11 1 188 THR 0.08 -0.45 1 189 LYS 0.14 -0.51 1 190 VAL 0.11 -0.71 1 191 ASP 0.10 -0.55 1 192 VAL -0.48 -0.92 1 193 ASP 0.03 -0.67 1 194 VAL -1.21 -1.35 1 195 ASP -2.11 -2.01 1 198 VAL -3.94 -2.36 1 199 TYR -4.54 -1.75 1 200 MET -4.90 -2.49 1 201 ILE -4.20 -2.37 1 203 PHE -7.27 -1.86 1 205 TYR -6.31 -2.87 1 206 LYS -2.77 -2.39 1 207 PHE -0.85 -0.78 1 208 LEU -1.62 -1.09 1 209 GLU -0.48 -0.36 1 stop_ save_