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 bmr15726_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.97 _LACS_plot.Line_1_terminator_val_y_1 -2.59 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.82 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.41 _LACS_plot.Line_2_terminator_val_x_2 6.39 _LACS_plot.Line_2_terminator_val_y_2 4.97 _LACS_plot.Y_axis_chem_shift_offset -0.08 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 80 MET -1.68 -4.00 0 103 GLU 3.83 6.32 0 54 LYS 5.98 0.27 0 10 MET 2.43 1.36 1 11 ALA 3.52 2.36 1 12 ALA 6.39 4.95 1 14 GLU 4.25 3.61 1 15 ALA 3.73 2.64 1 20 GLN 2.53 1.97 1 24 TYR 3.84 2.57 1 25 PHE 1.23 0.96 1 27 ASP 3.09 2.37 1 28 PHE 1.88 1.89 1 29 ASN 2.34 4.44 1 32 ARG -1.68 -0.89 1 33 ASP -0.94 -0.62 1 34 LYS 4.16 3.79 1 35 PHE 2.97 2.91 1 36 LEU 3.13 2.50 1 37 LYS 5.56 4.01 1 38 GLU 2.26 1.48 1 39 GLN 3.34 2.09 1 41 LYS 0.70 0.96 1 42 LEU 2.19 2.39 1 43 ASP -0.90 -1.00 1 44 GLU 2.41 0.52 1 46 TRP -0.89 -0.19 1 49 LEU 5.45 2.94 1 50 GLU 2.96 2.88 1 51 ILE 2.95 0.98 1 52 MET 4.15 -0.05 1 53 ILE 2.10 1.80 1 58 LEU -0.18 1.13 1 60 ARG 2.13 1.18 1 61 LEU 1.35 1.06 1 62 THR 2.24 0.05 1 63 THR -0.81 -1.47 1 64 ASP -1.77 -0.69 1 65 PHE 2.88 0.88 1 66 ASN 4.10 3.42 1 67 VAL 4.62 3.55 1 68 ILE 6.24 5.32 1 71 ALA 3.42 3.30 1 72 LEU 1.69 2.03 1 73 SER 3.64 2.93 1 74 LYS -0.55 -0.22 1 75 SER 0.22 0.14 1 76 LYS 0.91 -0.22 1 77 ALA 1.86 1.46 1 78 GLU 2.42 -0.05 1 81 GLU -5.82 -2.15 1 82 ILE -2.90 -0.91 1 83 SER 2.47 1.76 1 84 GLU 3.83 3.19 1 85 ASP -0.13 -1.27 1 86 LYS 5.19 1.35 1 87 THR -1.18 0.10 1 88 LYS -5.07 -1.34 1 89 ILE -6.24 -2.30 1 90 ARG -5.22 -1.86 1 94 SER 1.55 0.77 1 97 LEU 0.12 0.19 1 99 GLU -0.51 -0.18 1 100 VAL 0.25 0.01 1 101 THR -0.88 -0.43 1 102 ASP 0.92 0.82 1 105 LYS -6.97 -1.71 1 107 ASP 0.66 1.05 1 108 VAL 3.64 2.64 1 109 LYS 4.47 3.13 1 110 ASN 1.64 1.38 1 111 ARG -1.15 -1.26 1 122 ALA 0.60 0.27 1 123 THR -4.80 -2.68 1 124 LEU 5.08 2.99 1 125 ASP 4.37 3.65 1 126 ASP 4.36 3.43 1 127 ILE 5.32 4.32 1 128 LYS 4.89 4.45 1 129 GLU 3.09 2.73 1 131 LEU 0.58 1.40 1 132 GLU 3.25 3.17 1 133 ASP 0.34 -0.45 1 134 LYS 0.14 -1.06 1 136 GLN 1.61 0.29 1 138 LEU -1.00 -0.18 1 139 ASN -2.88 0.61 1 140 ILE -2.92 -0.23 1 141 GLN -3.51 -1.77 1 149 ALA 1.30 1.53 1 154 ILE -4.89 -2.69 1 156 VAL -4.85 -2.65 1 158 PHE 0.40 0.97 1 159 ASP 2.38 1.93 1 161 ILE 4.66 3.74 1 162 GLU 5.14 4.01 1 163 SER 3.89 2.90 1 164 ALA 2.90 2.64 1 165 LYS 4.17 4.08 1 166 LYS 3.51 2.80 1 167 PHE 3.57 3.79 1 168 VAL 4.77 3.70 1 169 GLU 0.83 0.05 1 170 THR 1.98 1.66 1 173 GLN 1.17 1.86 1 174 LYS -5.93 -1.02 1 175 TYR -2.39 -0.88 1 176 LYS 5.74 2.25 1 177 GLU 1.68 0.62 1 178 THR 0.38 0.83 1 179 ASP 1.32 1.57 1 180 LEU -3.57 -1.98 1 181 LEU -1.93 -0.69 1 182 ILE -1.61 -0.52 1 185 LYS 4.92 5.18 1 186 ASP 2.79 3.25 1 187 ASP 2.02 2.41 1 188 TYR 1.88 3.04 1 189 PHE 1.29 3.04 1 190 ALA 2.06 1.52 1 191 LYS -0.30 -0.32 1 192 LYS 3.03 2.46 1 193 ASN 1.87 1.33 1 194 GLU -0.17 0.58 1 195 VAL 0.61 0.65 1 196 ASP -0.43 -0.04 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15726_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.97 _LACS_plot.Line_1_terminator_val_y_1 4.38 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.18 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.59 _LACS_plot.Line_2_terminator_val_x_2 6.39 _LACS_plot.Line_2_terminator_val_y_2 -1.42 _LACS_plot.Y_axis_chem_shift_offset -0.08 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 80 MET -1.68 -2.32 0 103 GLU 3.83 2.49 0 54 LYS 5.98 -5.71 0 10 MET 2.43 -1.07 1 11 ALA 3.52 -1.16 1 12 ALA 6.39 -1.44 1 14 GLU 4.25 -0.64 1 15 ALA 3.73 -1.09 1 20 GLN 2.53 -0.56 1 24 TYR 3.84 -1.27 1 25 PHE 1.23 -0.27 1 27 ASP 3.09 -0.72 1 28 PHE 1.88 0.01 1 29 ASN 2.34 2.10 1 32 ARG -1.68 0.79 1 33 ASP -0.94 0.32 1 34 LYS 4.16 -0.37 1 35 PHE 2.97 -0.06 1 36 LEU 3.13 -0.63 1 37 LYS 5.56 -1.55 1 38 GLU 2.26 -0.78 1 39 GLN 3.34 -1.25 1 41 LYS 0.70 0.26 1 42 LEU 2.19 0.20 1 43 ASP -0.90 -0.10 1 44 GLU 2.41 -1.89 1 46 TRP -0.89 0.70 1 49 LEU 5.45 -2.51 1 50 GLU 2.96 -0.08 1 51 ILE 2.95 -1.97 1 52 MET 4.15 -4.20 1 53 ILE 2.10 -0.30 1 58 LEU -0.18 1.31 1 60 ARG 2.13 -0.95 1 61 LEU 1.35 -0.29 1 62 THR 2.24 -2.19 1 63 THR -0.81 -0.66 1 64 ASP -1.77 1.08 1 65 PHE 2.88 -2.00 1 66 ASN 4.10 -0.68 1 67 VAL 4.62 -1.07 1 68 ILE 6.24 -0.92 1 71 ALA 3.42 -0.12 1 72 LEU 1.69 0.34 1 73 SER 3.64 -0.71 1 74 LYS -0.55 0.33 1 75 SER 0.22 -0.08 1 76 LYS 0.91 -1.13 1 77 ALA 1.86 -0.40 1 78 GLU 2.42 -2.47 1 81 GLU -5.82 3.67 1 82 ILE -2.90 1.99 1 83 SER 2.47 -0.71 1 84 GLU 3.83 -0.64 1 85 ASP -0.13 -1.14 1 86 LYS 5.19 -3.84 1 87 THR -1.18 1.28 1 88 LYS -5.07 3.73 1 89 ILE -6.24 3.94 1 90 ARG -5.22 3.36 1 94 SER 1.55 -0.78 1 97 LEU 0.12 0.07 1 99 GLU -0.51 0.33 1 100 VAL 0.25 -0.24 1 101 THR -0.88 0.45 1 102 ASP 0.92 -0.10 1 105 LYS -6.97 5.26 1 107 ASP 0.66 0.39 1 108 VAL 3.64 -1.00 1 109 LYS 4.47 -1.34 1 110 ASN 1.64 -0.26 1 111 ARG -1.15 -0.11 1 122 ALA 0.60 -0.33 1 123 THR -4.80 2.12 1 124 LEU 5.08 -2.09 1 125 ASP 4.37 -0.72 1 126 ASP 4.36 -0.93 1 127 ILE 5.32 -1.00 1 128 LYS 4.89 -0.44 1 129 GLU 3.09 -0.36 1 131 LEU 0.58 0.82 1 132 GLU 3.25 -0.08 1 133 ASP 0.34 -0.79 1 134 LYS 0.14 -1.20 1 136 GLN 1.61 -1.32 1 138 LEU -1.00 0.82 1 139 ASN -2.88 3.49 1 140 ILE -2.92 2.69 1 141 GLN -3.51 1.74 1 149 ALA 1.30 0.23 1 154 ILE -4.89 2.20 1 156 VAL -4.85 2.20 1 158 PHE 0.40 0.57 1 159 ASP 2.38 -0.45 1 161 ILE 4.66 -0.92 1 162 GLU 5.14 -1.13 1 163 SER 3.89 -0.99 1 164 ALA 2.90 -0.26 1 165 LYS 4.17 -0.09 1 166 LYS 3.51 -0.71 1 167 PHE 3.57 0.22 1 168 VAL 4.77 -1.07 1 169 GLU 0.83 -0.78 1 170 THR 1.98 -0.32 1 173 GLN 1.17 0.69 1 174 LYS -5.93 4.91 1 175 TYR -2.39 1.51 1 176 LYS 5.74 -3.49 1 177 GLU 1.68 -1.06 1 178 THR 0.38 0.45 1 179 ASP 1.32 0.25 1 180 LEU -3.57 1.59 1 181 LEU -1.93 1.24 1 182 ILE -1.61 1.09 1 185 LYS 4.92 0.26 1 186 ASP 2.79 0.46 1 187 ASP 2.02 0.39 1 188 TYR 1.88 1.16 1 189 PHE 1.29 1.75 1 190 ALA 2.06 -0.54 1 191 LYS -0.30 -0.02 1 192 LYS 3.03 -0.57 1 193 ASN 1.87 -0.54 1 194 GLU -0.17 0.75 1 195 VAL 0.61 0.04 1 196 ASP -0.43 0.39 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15726_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.24 _LACS_plot.Line_1_terminator_val_y_1 0.58 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.19 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.17 _LACS_plot.Line_2_terminator_val_x_2 6.39 _LACS_plot.Line_2_terminator_val_y_2 -0.58 _LACS_plot.Y_axis_chem_shift_offset 0.00 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 89 ILE -6.24 1.61 0 10 MET 2.43 0.01 1 11 ALA 3.52 -0.04 1 12 ALA 6.39 -0.08 1 14 GLU 4.25 -0.58 1 15 ALA 3.73 -0.14 1 20 GLN 2.53 -0.31 1 24 TYR 3.84 -0.37 1 25 PHE 1.23 -0.16 1 27 ASP 3.09 -0.61 1 28 PHE 1.88 -0.20 1 29 ASN 2.34 -0.73 1 32 ARG -1.68 -0.02 1 33 ASP -0.94 0.00 1 34 LYS 4.16 -0.50 1 35 PHE 2.97 -0.18 1 36 LEU 3.13 -0.62 1 37 LYS 5.56 -0.54 1 38 GLU 2.26 -0.24 1 39 GLN 3.34 -0.49 1 41 LYS 0.70 -0.05 1 42 LEU 2.19 -0.23 1 43 ASP -0.90 0.25 1 44 GLU 2.41 -0.54 1 46 TRP -0.89 -0.14 1 49 LEU 5.45 -0.63 1 50 GLU 2.96 -0.22 1 51 ILE 2.95 -0.19 1 52 MET 4.15 -0.10 1 53 ILE 2.10 0.07 1 54 LYS 5.98 -0.09 1 60 ARG 2.13 -0.12 1 61 LEU 1.35 0.01 1 62 THR 2.24 0.20 1 63 THR -0.81 0.20 1 64 ASP -1.77 -0.06 1 65 PHE 2.88 -0.34 1 66 ASN 4.10 -0.27 1 67 VAL 4.62 -0.42 1 68 ILE 6.24 -0.59 1 71 ALA 3.42 -0.49 1 72 LEU 1.69 -0.31 1 73 SER 3.64 -0.19 1 74 LYS -0.55 0.10 1 75 SER 0.22 0.33 1 76 LYS 0.91 0.19 1 77 ALA 1.86 -0.21 1 78 GLU 2.42 -0.39 1 80 MET -1.68 0.77 1 81 GLU -5.82 0.28 1 82 ILE -2.90 0.64 1 83 SER 2.47 -0.76 1 84 GLU 3.83 -0.36 1 85 ASP -0.13 -0.21 1 86 LYS 5.19 -0.74 1 87 THR -1.18 -0.14 1 88 LYS -5.07 0.76 1 90 ARG -5.22 0.06 1 94 SER 1.55 -0.13 1 97 LEU 0.12 -0.30 1 99 GLU -0.51 -0.13 1 100 VAL 0.25 0.09 1 101 THR -0.88 0.04 1 102 ASP 0.92 -0.14 1 103 GLU 3.83 -0.24 1 107 ASP 0.66 -0.10 1 108 VAL 3.64 -0.27 1 110 ASN 1.64 -0.12 1 111 ARG -1.15 0.42 1 122 ALA 0.60 0.15 1 123 THR -4.80 -0.01 1 125 ASP 4.37 -0.33 1 126 ASP 4.36 -0.28 1 128 LYS 4.89 -0.57 1 129 GLU 3.09 -0.24 1 131 LEU 0.58 -0.57 1 132 GLU 3.25 -0.29 1 133 ASP 0.34 0.04 1 134 LYS 0.14 0.07 1 136 GLN 1.61 0.04 1 138 LEU -1.00 0.05 1 139 ASN -2.88 0.04 1 140 ILE -2.92 0.27 1 149 ALA 1.30 0.15 1 154 ILE -4.89 1.11 1 156 VAL -4.85 0.88 1 158 PHE 0.40 0.37 1 159 ASP 2.38 -0.40 1 161 ILE 4.66 -0.27 1 162 GLU 5.14 -0.37 1 163 SER 3.89 -0.33 1 164 ALA 2.90 -1.28 1 165 LYS 4.17 -0.34 1 166 LYS 3.51 -0.33 1 167 PHE 3.57 -0.44 1 168 VAL 4.77 -0.91 1 169 GLU 0.83 -0.21 1 170 THR 1.98 -0.14 1 173 GLN 1.17 0.08 1 174 LYS -5.93 0.67 1 175 TYR -2.39 -0.12 1 176 LYS 5.74 -0.74 1 177 GLU 1.68 -0.25 1 178 THR 0.38 0.01 1 179 ASP 1.32 -0.20 1 180 LEU -3.57 0.29 1 181 LEU -1.93 0.29 1 182 ILE -1.61 0.91 1 187 ASP 2.02 0.00 1 188 TYR 1.88 -0.69 1 189 PHE 1.29 -0.80 1 190 ALA 2.06 -0.13 1 193 ASN 1.87 -0.22 1 194 GLU -0.17 -0.05 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15726_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.97 _LACS_plot.Line_1_terminator_val_y_1 -2.62 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.58 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.92 _LACS_plot.Line_2_terminator_val_x_2 6.23 _LACS_plot.Line_2_terminator_val_y_2 2.11 _LACS_plot.Y_axis_chem_shift_offset 0.16 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 190 ALA 2.06 -6.99 0 10 MET 2.43 1.35 1 11 ALA 3.52 -1.19 1 14 GLU 4.25 1.86 1 15 ALA 3.73 2.76 1 20 GLN 2.53 1.99 1 24 TYR 3.84 1.24 1 25 PHE 1.23 -2.16 1 27 ASP 3.09 -0.11 1 29 ASN 2.34 1.48 1 32 ARG -1.68 -1.04 1 33 ASP -0.94 -1.58 1 34 LYS 4.16 1.59 1 35 PHE 2.97 2.43 1 36 LEU 3.13 0.98 1 37 LYS 5.56 2.15 1 38 GLU 2.26 3.00 1 39 GLN 3.34 4.71 1 41 LYS 0.70 1.91 1 42 LEU 2.19 -0.42 1 43 ASP -0.90 -1.61 1 44 GLU 2.41 -1.44 1 46 TRP -0.89 1.57 1 49 LEU 5.45 0.29 1 50 GLU 2.96 0.88 1 51 ILE 2.95 1.59 1 52 MET 4.15 2.20 1 53 ILE 2.10 -0.15 1 54 LYS 5.98 -1.72 1 58 LEU -0.18 -0.30 1 60 ARG 2.13 0.76 1 62 THR 2.24 -4.42 1 63 THR -0.81 -1.58 1 64 ASP -1.77 0.62 1 65 PHE 2.88 2.15 1 66 ASN 4.10 2.82 1 67 VAL 4.62 2.02 1 68 ILE 6.24 0.62 1 71 ALA 3.42 2.27 1 72 LEU 1.69 2.74 1 73 SER 3.64 0.33 1 74 LYS -0.55 0.12 1 75 SER 0.22 2.61 1 76 LYS 0.91 0.73 1 77 ALA 1.86 0.05 1 80 MET -1.68 0.87 1 81 GLU -5.82 -2.00 1 82 ILE -2.90 0.80 1 83 SER 2.47 1.87 1 84 GLU 3.83 1.23 1 85 ASP -0.13 -0.77 1 86 LYS 5.19 -1.47 1 88 LYS -5.07 -3.08 1 89 ILE -6.24 -2.48 1 90 ARG -5.22 -2.60 1 94 SER 1.55 -1.27 1 99 GLU -0.51 0.07 1 100 VAL 0.25 -0.12 1 101 THR -0.88 -0.17 1 102 ASP 0.92 -1.46 1 103 GLU 3.83 0.61 1 105 LYS -6.97 -0.13 1 107 ASP 0.66 1.18 1 108 VAL 3.64 -0.31 1 109 LYS 4.47 1.90 1 110 ASN 1.64 -1.19 1 111 ARG -1.15 -1.98 1 122 ALA 0.60 -1.34 1 123 THR -4.80 0.49 1 124 LEU 5.08 0.88 1 125 ASP 4.37 2.25 1 126 ASP 4.36 3.12 1 127 ILE 5.32 1.18 1 128 LYS 4.89 2.84 1 129 GLU 3.09 2.28 1 131 LEU 0.58 0.92 1 132 GLU 3.25 0.61 1 133 ASP 0.34 0.53 1 134 LYS 0.14 -1.00 1 136 GLN 1.61 -1.66 1 138 LEU -1.00 -0.71 1 139 ASN -2.88 -2.77 1 140 ILE -2.92 -2.27 1 141 GLN -3.51 -0.50 1 154 ILE -4.89 -2.46 1 156 VAL -4.85 -2.48 1 158 PHE 0.40 -0.31 1 161 ILE 4.66 1.06 1 162 GLU 5.14 2.93 1 163 SER 3.89 2.01 1 164 ALA 2.90 -0.06 1 165 LYS 4.17 1.14 1 166 LYS 3.51 2.01 1 167 PHE 3.57 1.25 1 168 VAL 4.77 2.58 1 169 GLU 0.83 0.08 1 173 GLN 1.17 -0.07 1 175 TYR -2.39 -1.40 1 176 LYS 5.74 -0.45 1 177 GLU 1.68 -0.50 1 178 THR 0.38 -1.32 1 179 ASP 1.32 -1.24 1 180 LEU -3.57 -1.44 1 181 LEU -1.93 -3.15 1 182 ILE -1.61 -1.53 1 185 LYS 4.92 0.70 1 186 ASP 2.79 2.33 1 187 ASP 2.02 1.61 1 188 TYR 1.88 0.71 1 189 PHE 1.29 1.94 1 191 LYS -0.30 0.55 1 193 ASN 1.87 0.57 1 194 GLU -0.17 0.64 1 195 VAL 0.61 -0.22 1 196 ASP -0.43 -1.04 1 stop_ save_