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 bmr18112_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -4.80 _LACS_plot.Line_1_terminator_val_y_1 -2.66 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.06 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.14 _LACS_plot.Line_2_terminator_val_x_2 9.19 _LACS_plot.Line_2_terminator_val_y_2 6.12 _LACS_plot.Y_axis_chem_shift_offset 0.75 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 58 ILE 9.20 1.06 0 59 LYS -4.63 1.37 0 12 ALA 0.21 -0.43 1 13 MET 0.18 -0.41 1 14 GLN -0.21 -0.56 1 15 GLU 0.06 -0.54 1 17 LEU -1.30 -1.56 1 18 SER -2.29 -1.45 1 32 THR -4.80 -4.89 1 33 ARG 0.67 -0.37 1 37 SER -1.26 3.06 1 38 ASN 4.48 2.81 1 39 MET 4.40 3.35 1 40 LEU 5.45 3.35 1 41 LYS 5.07 2.96 1 42 THR 4.80 3.31 1 43 TYR 3.63 2.99 1 44 PHE 2.00 -1.03 1 45 SER 3.83 2.74 1 46 ASP 1.51 -0.60 1 47 VAL -0.40 -1.19 1 48 LYS 1.58 -1.33 1 49 PHE 4.14 3.16 1 53 ILE 4.21 3.01 1 57 LEU 5.40 0.13 1 60 TRP 0.07 2.32 1 70 ILE 7.05 4.69 1 76 ALA 4.19 3.78 1 78 GLN 4.57 2.92 1 79 ALA 4.51 2.47 1 80 ILE 5.42 3.74 1 81 ASN 4.09 2.79 1 82 ASP 1.55 0.57 1 84 VAL 4.50 2.07 1 85 THR -0.46 -0.18 1 86 SER -2.97 -2.38 1 87 THR 4.93 3.18 1 88 GLU 3.06 1.21 1 89 GLU 0.02 -0.47 1 90 LEU 0.32 -1.60 1 91 SER -2.80 -1.99 1 92 ILE -0.24 -1.22 1 93 THR -4.37 -2.81 1 94 ARG 4.18 1.12 1 95 ASP -1.11 -1.04 1 97 GLU 4.01 3.31 1 98 LEU 5.61 2.99 1 99 TYR 4.78 4.72 1 100 ARG 5.71 3.91 1 101 ALA 4.12 2.56 1 102 LEU 3.21 2.53 1 103 ASN 4.63 3.87 1 104 MET 2.97 1.96 1 106 TYR 1.16 0.59 1 107 ASN -1.11 -1.87 1 108 LYS 5.15 3.55 1 109 ALA 1.11 -0.20 1 110 ASN 2.02 0.40 1 111 ASP 0.90 -0.97 1 114 VAL 1.03 1.04 1 116 GLU 3.83 2.31 1 117 ARG 3.76 1.03 1 118 PHE 6.14 3.93 1 119 LEU 7.73 4.78 1 120 GLU 3.57 2.55 1 121 VAL 6.76 4.68 1 122 ALA 4.78 2.25 1 126 LEU 4.72 3.74 1 127 ARG 7.51 4.69 1 132 ALA 3.08 2.42 1 133 ILE 4.63 4.12 1 134 ILE 5.64 2.48 1 135 ALA -0.72 -0.98 1 137 LYS 3.47 1.30 1 138 ASP 4.58 -0.51 1 139 VAL 2.83 0.59 1 140 ASP -3.33 -1.98 1 142 SER 1.43 0.41 1 143 TRP 5.54 2.30 1 144 LYS 6.38 2.65 1 145 LYS 5.65 3.07 1 146 ALA 3.15 1.74 1 147 ILE 5.60 3.32 1 148 TYR 3.01 -0.51 1 149 LYS 4.37 2.84 1 150 VAL 6.25 2.87 1 151 ILE 5.20 0.39 1 153 LYS 1.80 0.04 1 154 LEU 0.20 -1.32 1 155 ASP 2.49 1.53 1 156 SER -2.58 -1.23 1 157 GLU 0.55 -0.14 1 158 VAL 1.22 -0.22 1 160 GLU 3.72 2.81 1 161 ILE 2.62 0.93 1 162 PHE 4.52 3.31 1 163 LYS 3.35 1.94 1 164 SER -1.17 -1.20 1 166 ASN -0.15 -1.14 1 168 LEU 6.20 2.63 1 169 GLN 3.66 1.97 1 171 LEU -0.51 0.77 1 172 LEU 0.79 -1.13 1 173 HIS 1.32 1.69 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18112_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -4.80 _LACS_plot.Line_1_terminator_val_y_1 2.14 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -2.05 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.14 _LACS_plot.Line_2_terminator_val_x_2 9.19 _LACS_plot.Line_2_terminator_val_y_2 -3.07 _LACS_plot.Y_axis_chem_shift_offset 0.75 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 58 ILE 9.20 -8.14 0 59 LYS -4.63 6.00 0 12 ALA 0.21 -0.64 1 13 MET 0.18 -0.59 1 14 GLN -0.21 -0.35 1 15 GLU 0.06 -0.60 1 17 LEU -1.30 -0.26 1 18 SER -2.29 0.84 1 32 THR -4.80 -0.09 1 33 ARG 0.67 -1.04 1 37 SER -1.26 4.32 1 38 ASN 4.48 -1.67 1 39 MET 4.40 -1.05 1 40 LEU 5.45 -2.10 1 41 LYS 5.07 -2.11 1 42 THR 4.80 -1.49 1 43 TYR 3.63 -0.64 1 44 PHE 2.00 -3.03 1 45 SER 3.83 -1.09 1 46 ASP 1.51 -2.11 1 47 VAL -0.40 -0.79 1 48 LYS 1.58 -2.91 1 49 PHE 4.14 -0.98 1 53 ILE 4.21 -1.20 1 57 LEU 5.40 -5.27 1 60 TRP 0.07 2.25 1 70 ILE 7.05 -2.36 1 76 ALA 4.19 -0.41 1 78 GLN 4.57 -1.65 1 79 ALA 4.51 -2.04 1 80 ILE 5.42 -1.68 1 81 ASN 4.09 -1.30 1 82 ASP 1.55 -0.98 1 84 VAL 4.50 -2.43 1 85 THR -0.46 0.28 1 86 SER -2.97 0.59 1 87 THR 4.93 -1.75 1 88 GLU 3.06 -1.85 1 89 GLU 0.02 -0.49 1 90 LEU 0.32 -1.92 1 91 SER -2.80 0.81 1 92 ILE -0.24 -0.98 1 93 THR -4.37 1.56 1 94 ARG 4.18 -3.06 1 95 ASP -1.11 0.07 1 97 GLU 4.01 -0.70 1 98 LEU 5.61 -2.62 1 99 TYR 4.78 -0.06 1 100 ARG 5.71 -1.80 1 101 ALA 4.12 -1.56 1 102 LEU 3.21 -0.68 1 103 ASN 4.63 -0.76 1 104 MET 2.97 -1.01 1 106 TYR 1.16 -0.57 1 107 ASN -1.11 -0.76 1 108 LYS 5.15 -1.60 1 109 ALA 1.11 -1.31 1 110 ASN 2.02 -1.62 1 111 ASP 0.90 -1.87 1 114 VAL 1.03 0.01 1 116 GLU 3.83 -1.52 1 117 ARG 3.76 -2.73 1 118 PHE 6.14 -2.21 1 119 LEU 7.73 -2.95 1 120 GLU 3.57 -1.02 1 121 VAL 6.76 -2.08 1 122 ALA 4.78 -2.53 1 126 LEU 4.72 -0.98 1 127 ARG 7.51 -2.82 1 132 ALA 3.08 -0.66 1 133 ILE 4.63 -0.51 1 134 ILE 5.64 -3.16 1 135 ALA -0.72 -0.26 1 137 LYS 3.47 -2.17 1 138 ASP 4.58 -5.09 1 139 VAL 2.83 -2.24 1 140 ASP -3.33 1.35 1 142 SER 1.43 -1.02 1 143 TRP 5.54 -3.24 1 144 LYS 6.38 -3.73 1 145 LYS 5.65 -2.58 1 146 ALA 3.15 -1.41 1 147 ILE 5.60 -2.28 1 148 TYR 3.01 -3.52 1 149 LYS 4.37 -1.53 1 150 VAL 6.25 -3.38 1 151 ILE 5.20 -4.81 1 153 LYS 1.80 -1.76 1 154 LEU 0.20 -1.52 1 155 ASP 2.49 -0.96 1 156 SER -2.58 1.35 1 157 GLU 0.55 -0.69 1 158 VAL 1.22 -1.44 1 160 GLU 3.72 -0.91 1 161 ILE 2.62 -1.69 1 162 PHE 4.52 -1.21 1 163 LYS 3.35 -1.41 1 164 SER -1.17 -0.03 1 166 ASN -0.15 -0.99 1 168 LEU 6.20 -3.57 1 169 GLN 3.66 -1.69 1 171 LEU -0.51 1.28 1 172 LEU 0.79 -1.92 1 173 HIS 1.32 0.37 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18112_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -4.80 _LACS_plot.Line_1_terminator_val_y_1 0.42 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.13 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.20 _LACS_plot.Line_2_terminator_val_x_2 9.19 _LACS_plot.Line_2_terminator_val_y_2 -0.69 _LACS_plot.Y_axis_chem_shift_offset -0.03 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 58 ILE 9.20 0.47 0 14 GLN -0.21 0.06 1 32 THR -4.80 -0.14 1 38 ASN 4.48 -0.48 1 39 MET 4.40 -0.31 1 40 LEU 5.45 -0.20 1 41 LYS 5.07 -0.84 1 42 THR 4.80 -0.12 1 43 TYR 3.63 -0.35 1 44 PHE 2.00 0.30 1 45 SER 3.83 -0.10 1 46 ASP 1.51 -0.07 1 47 VAL -0.40 -0.06 1 48 LYS 1.58 0.08 1 49 PHE 4.14 -0.81 1 53 ILE 4.21 -0.58 1 57 LEU 5.40 0.18 1 60 TRP 0.07 -0.92 1 70 ILE 7.05 -0.34 1 76 ALA 4.19 -0.10 1 78 GLN 4.57 -0.42 1 79 ALA 4.51 -0.01 1 80 ILE 5.42 -0.28 1 81 ASN 4.09 -0.34 1 82 ASP 1.55 0.03 1 84 VAL 4.50 -0.27 1 85 THR -0.46 0.37 1 86 SER -2.97 0.58 1 87 THR 4.93 -0.28 1 88 GLU 3.06 -0.47 1 89 GLU 0.02 -0.20 1 90 LEU 0.32 0.10 1 91 SER -2.80 0.28 1 92 ILE -0.24 0.37 1 93 THR -4.37 0.23 1 94 ARG 4.18 -1.26 1 95 ASP -1.11 0.12 1 98 LEU 5.61 -0.73 1 101 ALA 4.12 -0.18 1 102 LEU 3.21 -0.01 1 107 ASN -1.11 -0.82 1 108 LYS 5.15 -0.37 1 109 ALA 1.11 -0.18 1 110 ASN 2.02 -0.26 1 111 ASP 0.90 -0.15 1 114 VAL 1.03 -1.20 1 118 PHE 6.14 -0.48 1 119 LEU 7.73 -0.66 1 121 VAL 6.76 -0.58 1 122 ALA 4.78 -0.07 1 126 LEU 4.72 -0.26 1 127 ARG 7.51 -0.41 1 132 ALA 3.08 -0.30 1 133 ILE 4.63 -0.94 1 134 ILE 5.64 -0.38 1 135 ALA -0.72 0.04 1 137 LYS 3.47 -0.32 1 138 ASP 4.58 -1.58 1 139 VAL 2.83 -0.23 1 142 SER 1.43 0.10 1 143 TRP 5.54 -0.52 1 144 LYS 6.38 -1.60 1 145 LYS 5.65 -0.83 1 146 ALA 3.15 -0.39 1 147 ILE 5.60 -0.53 1 148 TYR 3.01 -0.06 1 150 VAL 6.25 -0.35 1 154 LEU 0.20 0.24 1 156 SER -2.58 0.35 1 157 GLU 0.55 -0.31 1 158 VAL 1.22 -0.99 1 160 GLU 3.72 -0.34 1 161 ILE 2.62 -0.02 1 166 ASN -0.15 0.29 1 168 LEU 6.20 -0.46 1 169 GLN 3.66 -0.28 1 171 LEU -0.51 -0.13 1 172 LEU 0.79 0.23 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18112_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -4.80 _LACS_plot.Line_1_terminator_val_y_1 -1.51 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.56 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.56 _LACS_plot.Line_2_terminator_val_x_2 9.19 _LACS_plot.Line_2_terminator_val_y_2 2.54 _LACS_plot.Y_axis_chem_shift_offset 0.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 59 LYS -4.63 1.00 0 32 THR -4.80 -3.64 0 173 HIS 1.32 4.92 0 12 ALA 0.21 -0.23 1 13 MET 0.18 0.02 1 14 GLN -0.21 -0.36 1 15 GLU 0.06 -0.36 1 17 LEU -1.30 -0.27 1 33 ARG 0.67 0.15 1 37 SER -1.26 3.10 1 38 ASN 4.48 2.67 1 39 MET 4.40 2.77 1 40 LEU 5.45 1.10 1 41 LYS 5.07 2.19 1 42 THR 4.80 1.44 1 43 TYR 3.63 -1.66 1 44 PHE 2.00 0.64 1 45 SER 3.83 -0.18 1 46 ASP 1.51 -1.43 1 47 VAL -0.40 -1.62 1 48 LYS 1.58 -1.04 1 49 PHE 4.14 -0.09 1 53 ILE 4.21 1.09 1 57 LEU 5.40 1.18 1 58 ILE 9.20 0.98 1 60 TRP 0.07 2.15 1 70 ILE 7.05 3.19 1 76 ALA 4.19 1.05 1 78 GLN 4.57 1.29 1 79 ALA 4.51 2.12 1 80 ILE 5.42 4.87 1 81 ASN 4.09 1.35 1 82 ASP 1.55 0.47 1 84 VAL 4.50 0.96 1 85 THR -0.46 -0.21 1 86 SER -2.97 -0.13 1 87 THR 4.93 1.35 1 88 GLU 3.06 0.55 1 89 GLU 0.02 -0.41 1 90 LEU 0.32 -2.33 1 91 SER -2.80 -1.27 1 92 ILE -0.24 -2.34 1 93 THR -4.37 0.35 1 94 ARG 4.18 -1.22 1 95 ASP -1.11 -0.42 1 97 GLU 4.01 2.15 1 98 LEU 5.61 0.20 1 99 TYR 4.78 1.18 1 100 ARG 5.71 2.32 1 101 ALA 4.12 3.56 1 102 LEU 3.21 0.98 1 103 ASN 4.63 2.27 1 106 TYR 1.16 -2.13 1 107 ASN -1.11 0.61 1 108 LYS 5.15 0.99 1 109 ALA 1.11 0.09 1 110 ASN 2.02 -0.92 1 111 ASP 0.90 -1.43 1 116 GLU 3.83 2.43 1 117 ARG 3.76 1.27 1 118 PHE 6.14 1.19 1 119 LEU 7.73 1.20 1 120 GLU 3.57 3.33 1 121 VAL 6.76 3.00 1 122 ALA 4.78 0.57 1 126 LEU 4.72 0.96 1 127 ARG 7.51 1.68 1 132 ALA 3.08 0.71 1 133 ILE 4.63 4.21 1 134 ILE 5.64 0.82 1 135 ALA -0.72 -0.01 1 137 LYS 3.47 0.02 1 138 ASP 4.58 -1.60 1 139 VAL 2.83 -0.41 1 140 ASP -3.33 0.23 1 142 SER 1.43 1.92 1 143 TRP 5.54 1.01 1 144 LYS 6.38 0.64 1 145 LYS 5.65 2.55 1 146 ALA 3.15 2.17 1 147 ILE 5.60 2.52 1 148 TYR 3.01 2.45 1 149 LYS 4.37 1.45 1 150 VAL 6.25 2.49 1 151 ILE 5.20 4.14 1 153 LYS 1.80 0.79 1 154 LEU 0.20 -0.44 1 155 ASP 2.49 0.79 1 156 SER -2.58 -1.19 1 157 GLU 0.55 -0.27 1 158 VAL 1.22 1.48 1 160 GLU 3.72 2.53 1 161 ILE 2.62 -0.22 1 162 PHE 4.52 0.32 1 163 LYS 3.35 1.60 1 166 ASN -0.15 0.61 1 168 LEU 6.20 0.94 1 169 GLN 3.66 1.38 1 171 LEU -0.51 -0.60 1 172 LEU 0.79 -1.19 1 stop_ save_