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 bmr17345_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.27 _LACS_plot.Line_1_terminator_val_y_1 -3.30 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.94 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.27 _LACS_plot.Line_2_terminator_val_x_2 7.23 _LACS_plot.Line_2_terminator_val_y_2 5.00 _LACS_plot.Y_axis_chem_shift_offset -0.06 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 53 HIS 2.33 4.86 0 49 HIS 2.91 5.42 0 10 VAL -0.06 -0.06 1 11 GLU -1.13 -0.26 1 14 THR -0.29 -0.18 1 15 LEU -0.10 -0.20 1 17 GLU -0.61 -0.42 1 18 THR 0.01 0.19 1 20 ARG -0.00 -0.17 1 21 LEU -2.44 -1.50 1 22 PHE -2.60 -0.75 1 24 LEU -1.03 -0.12 1 25 LYS -1.45 -0.52 1 26 ILE -4.33 -2.61 1 27 ARG -2.35 -0.89 1 29 ARG 5.82 2.62 1 30 ALA 0.27 0.19 1 31 ASP -2.74 -0.47 1 32 LEU -2.77 -1.27 1 33 VAL -2.16 -0.90 1 34 ARG -2.06 -1.71 1 35 LEU -5.65 -2.11 1 37 LEU -5.45 -1.59 1 38 ARG 1.06 0.81 1 39 MET 4.21 2.00 1 40 SER -2.72 -2.46 1 41 GLU -3.34 -0.33 1 43 LEU 3.82 2.04 1 44 GLN 3.88 2.88 1 45 SER 4.09 3.46 1 46 VAL 5.45 3.30 1 47 VAL 7.24 5.49 1 48 ASP 4.01 3.37 1 50 MET 3.84 -0.09 1 51 ALA 4.88 3.49 1 52 THR 4.96 3.87 1 54 LEU -1.53 -0.39 1 56 VAL -7.27 -4.11 1 57 SER -0.92 -0.48 1 59 SER 2.58 1.66 1 60 ARG -0.06 -0.24 1 61 ILE -0.75 -2.84 1 62 LEU -4.21 -1.27 1 63 LEU -3.62 -2.48 1 64 LEU -6.14 -1.40 1 65 PHE -3.55 -2.79 1 67 GLU -0.38 -0.38 1 68 THR 0.33 0.72 1 69 GLU 0.28 -0.05 1 70 LEU -2.21 -1.83 1 71 SER -2.42 -1.65 1 73 THR 0.53 -0.10 1 74 ALA -0.49 -0.24 1 75 THR -2.59 -2.25 1 77 ARG 3.78 3.14 1 78 THR 4.40 3.11 1 79 LEU -0.77 0.14 1 80 LYS 4.50 0.51 1 81 LEU -0.84 0.07 1 83 VAL 3.97 2.74 1 84 ALA -1.01 -0.83 1 85 ASP 0.50 1.56 1 86 ILE -2.70 -0.39 1 87 ILE -2.17 -1.63 1 88 ASP -3.10 0.42 1 90 VAL -3.30 -1.29 1 91 VAL -0.23 -1.27 1 92 LEU -0.32 -0.21 1 93 THR 0.40 0.47 1 94 SER -0.24 -0.06 1 95 SER 0.95 1.81 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17345_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.27 _LACS_plot.Line_1_terminator_val_y_1 3.97 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.06 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.73 _LACS_plot.Line_2_terminator_val_x_2 7.23 _LACS_plot.Line_2_terminator_val_y_2 -2.23 _LACS_plot.Y_axis_chem_shift_offset -0.06 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 53 HIS 2.33 2.53 0 49 HIS 2.91 2.51 0 10 VAL -0.06 0.00 1 11 GLU -1.13 0.87 1 14 THR -0.29 0.11 1 15 LEU -0.10 -0.10 1 17 GLU -0.61 0.19 1 18 THR 0.01 0.18 1 20 ARG -0.00 -0.17 1 21 LEU -2.44 0.94 1 22 PHE -2.60 1.85 1 24 LEU -1.03 0.91 1 25 LYS -1.45 0.93 1 26 ILE -4.33 1.72 1 27 ARG -2.35 1.46 1 29 ARG 5.82 -3.20 1 30 ALA 0.27 -0.08 1 31 ASP -2.74 2.27 1 32 LEU -2.77 1.50 1 33 VAL -2.16 1.26 1 34 ARG -2.06 0.35 1 35 LEU -5.65 3.54 1 37 LEU -5.45 3.86 1 38 ARG 1.06 -0.25 1 39 MET 4.21 -2.21 1 40 SER -2.72 0.26 1 41 GLU -3.34 3.01 1 43 LEU 3.82 -1.78 1 44 GLN 3.88 -1.00 1 45 SER 4.09 -0.63 1 46 VAL 5.45 -2.15 1 47 VAL 7.24 -1.75 1 48 ASP 4.01 -0.64 1 50 MET 3.84 -3.93 1 51 ALA 4.88 -1.39 1 52 THR 4.96 -1.09 1 54 LEU -1.53 1.14 1 56 VAL -7.27 3.16 1 57 SER -0.92 0.44 1 59 SER 2.58 -0.92 1 60 ARG -0.06 -0.18 1 61 ILE -0.75 -2.09 1 62 LEU -4.21 2.94 1 63 LEU -3.62 1.14 1 64 LEU -6.14 4.74 1 65 PHE -3.55 0.76 1 67 GLU -0.38 0.00 1 68 THR 0.33 0.39 1 69 GLU 0.28 -0.33 1 70 LEU -2.21 0.38 1 71 SER -2.42 0.77 1 73 THR 0.53 -0.63 1 74 ALA -0.49 0.25 1 75 THR -2.59 0.34 1 77 ARG 3.78 -0.64 1 78 THR 4.40 -1.29 1 79 LEU -0.77 0.91 1 80 LYS 4.50 -3.99 1 81 LEU -0.84 0.91 1 83 VAL 3.97 -1.23 1 84 ALA -1.01 0.18 1 85 ASP 0.50 1.06 1 86 ILE -2.70 2.31 1 87 ILE -2.17 0.54 1 88 ASP -3.10 3.52 1 90 VAL -3.30 2.01 1 91 VAL -0.23 -1.04 1 92 LEU -0.32 0.11 1 93 THR 0.40 0.07 1 94 SER -0.24 0.18 1 95 SER 0.95 0.86 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17345_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.27 _LACS_plot.Line_1_terminator_val_y_1 0.41 _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 -0.00 _LACS_plot.Line_2_terminator_val_x_2 7.23 _LACS_plot.Line_2_terminator_val_y_2 -0.70 _LACS_plot.Y_axis_chem_shift_offset 0.15 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 35 LEU -5.65 -0.05 0 63 LEU -3.62 1.00 0 10 VAL -0.06 -0.12 1 11 GLU -1.13 -0.12 1 14 THR -0.29 -0.16 1 15 LEU -0.10 -0.13 1 17 GLU -0.61 -0.17 1 18 THR 0.01 -0.14 1 20 ARG -0.00 -0.13 1 21 LEU -2.44 0.12 1 22 PHE -2.60 -0.20 1 24 LEU -1.03 -0.13 1 25 LYS -1.45 0.33 1 26 ILE -4.33 0.65 1 27 ARG -2.35 0.51 1 29 ARG 5.82 -0.55 1 30 ALA 0.27 -0.07 1 31 ASP -2.74 0.10 1 32 LEU -2.77 0.65 1 33 VAL -2.16 -0.09 1 34 ARG -2.06 0.66 1 37 LEU -5.45 0.24 1 38 ARG 1.06 0.21 1 39 MET 4.21 -0.41 1 40 SER -2.72 0.09 1 41 GLU -3.34 -0.17 1 43 LEU 3.82 -0.53 1 44 GLN 3.88 -0.64 1 45 SER 4.09 -0.17 1 46 VAL 5.45 -0.71 1 47 VAL 7.24 -0.90 1 48 ASP 4.01 -0.36 1 49 HIS 2.91 -0.62 1 50 MET 3.84 0.01 1 51 ALA 4.88 -0.50 1 52 THR 4.96 -0.47 1 53 HIS 2.33 -0.65 1 54 LEU -1.53 -0.29 1 56 VAL -7.27 0.51 1 57 SER -0.92 -0.21 1 59 SER 2.58 -0.30 1 60 ARG -0.06 -0.08 1 61 ILE -0.75 0.20 1 62 LEU -4.21 0.15 1 64 LEU -6.14 0.80 1 65 PHE -3.55 0.74 1 67 GLU -0.38 -0.14 1 68 THR 0.33 -0.22 1 69 GLU 0.28 0.01 1 70 LEU -2.21 0.03 1 71 SER -2.42 0.01 1 73 THR 0.53 -0.10 1 74 ALA -0.49 -0.12 1 75 THR -2.59 0.48 1 77 ARG 3.78 -0.45 1 78 THR 4.40 -0.33 1 79 LEU -0.77 -0.30 1 80 LYS 4.50 -0.59 1 81 LEU -0.84 -0.34 1 83 VAL 3.97 -0.52 1 84 ALA -1.01 0.00 1 85 ASP 0.50 -0.09 1 86 ILE -2.70 0.14 1 87 ILE -2.17 0.59 1 88 ASP -3.10 0.68 1 90 VAL -3.30 0.07 1 91 VAL -0.23 0.39 1 92 LEU -0.32 -0.05 1 93 THR 0.40 -0.14 1 94 SER -0.24 -0.13 1 95 SER 0.95 -0.30 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17345_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.27 _LACS_plot.Line_1_terminator_val_y_1 -3.17 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.38 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.26 _LACS_plot.Line_2_terminator_val_x_2 7.23 _LACS_plot.Line_2_terminator_val_y_2 2.44 _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 49 HIS 2.91 4.52 0 10 VAL -0.06 -0.46 1 11 GLU -1.13 -0.27 1 14 THR -0.29 -0.43 1 17 GLU -0.61 -0.15 1 20 ARG -0.00 -0.60 1 21 LEU -2.44 -1.80 1 24 LEU -1.03 -1.65 1 25 LYS -1.45 -2.41 1 26 ILE -4.33 -1.62 1 27 ARG -2.35 -1.44 1 29 ARG 5.82 -0.84 1 30 ALA 0.27 -1.37 1 31 ASP -2.74 -1.98 1 32 LEU -2.77 -1.61 1 33 VAL -2.16 -2.51 1 34 ARG -2.06 -1.03 1 37 LEU -5.45 -0.99 1 38 ARG 1.06 1.82 1 39 MET 4.21 -0.33 1 40 SER -2.72 -1.13 1 43 LEU 3.82 1.56 1 44 GLN 3.88 0.43 1 45 SER 4.09 2.90 1 46 VAL 5.45 0.99 1 47 VAL 7.24 1.05 1 48 ASP 4.01 2.51 1 50 MET 3.84 1.98 1 51 ALA 4.88 2.18 1 52 THR 4.96 2.22 1 53 HIS 2.33 2.93 1 54 LEU -1.53 -0.19 1 56 VAL -7.27 -1.92 1 59 SER 2.58 0.88 1 60 ARG -0.06 -2.32 1 61 ILE -0.75 -1.88 1 62 LEU -4.21 -3.70 1 63 LEU -3.62 -2.39 1 64 LEU -6.14 -1.41 1 65 PHE -3.55 0.68 1 67 GLU -0.38 -0.45 1 68 THR 0.33 -1.55 1 69 GLU 0.28 -0.43 1 70 LEU -2.21 -1.13 1 73 THR 0.53 0.95 1 74 ALA -0.49 -3.28 1 77 ARG 3.78 3.00 1 78 THR 4.40 2.71 1 79 LEU -0.77 -1.51 1 80 LYS 4.50 -0.44 1 81 LEU -0.84 -0.24 1 83 VAL 3.97 0.18 1 84 ALA -1.01 0.07 1 85 ASP 0.50 -1.90 1 86 ILE -2.70 -0.45 1 87 ILE -2.17 -2.01 1 88 ASP -3.10 -2.17 1 90 VAL -3.30 -2.84 1 91 VAL -0.23 0.75 1 92 LEU -0.32 -0.13 1 93 THR 0.40 -0.39 1 94 SER -0.24 -1.06 1 stop_ save_