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 bmr17017_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.49 _LACS_plot.Line_1_terminator_val_y_1 -2.84 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.98 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.17 _LACS_plot.Line_2_terminator_val_x_2 5.60 _LACS_plot.Line_2_terminator_val_y_2 4.09 _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 27 GLN 2.32 4.75 0 12 HIS -5.85 -0.22 0 11 THR -0.51 -0.28 1 13 LEU -1.19 -0.80 1 14 LEU -0.49 -0.66 1 15 GLN -3.98 -1.09 1 17 LEU -2.47 -1.46 1 18 SER -4.39 -1.51 1 19 SER 3.75 2.43 1 20 ARG -0.12 -0.58 1 21 THR 3.42 3.16 1 22 ARG -1.60 -0.64 1 23 LEU 4.75 3.65 1 24 ARG 4.71 3.31 1 25 GLU 2.76 2.27 1 26 LEU 4.44 3.39 1 29 GLN 4.57 3.15 1 30 ILE 5.17 4.76 1 31 ALA 2.82 2.90 1 32 ALA 3.36 2.41 1 33 ILE 1.12 1.81 1 34 THR -2.06 0.75 1 36 ILE 1.01 -0.05 1 37 ALA 1.82 0.91 1 40 SER -1.67 -0.77 1 41 GLN 0.97 0.99 1 42 ARG -0.92 -0.06 1 43 ILE -1.68 -0.64 1 44 LEU -3.17 -1.05 1 45 VAL -5.23 -2.42 1 47 TYR -2.19 0.47 1 50 GLU -5.28 -1.80 1 52 LEU -2.15 -0.82 1 53 ASP 0.50 -0.04 1 54 LEU 0.28 -1.83 1 55 SER 3.39 3.31 1 56 ASP -2.12 -1.93 1 57 ARG 2.43 1.99 1 58 ASP -0.48 0.45 1 59 ILE 0.15 0.39 1 60 THR -3.05 -1.56 1 61 LEU 5.60 2.92 1 63 ASP -0.66 0.35 1 64 LEU -4.48 -2.61 1 66 ILE -4.24 -0.85 1 67 GLN -5.34 -2.58 1 68 SER 3.29 1.82 1 70 ASP -0.78 0.46 1 71 MET -3.10 -1.78 1 72 LEU -2.31 -1.60 1 73 ILE -0.81 -0.45 1 74 VAL -1.88 -1.54 1 75 GLU -6.49 -3.08 1 76 GLU -2.89 -1.57 1 77 ASP -0.77 -0.36 1 78 GLN 0.17 -0.14 1 79 THR 1.22 0.97 1 80 ARG 0.47 0.17 1 82 LYS -0.08 0.11 1 83 ALA 0.48 1.73 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17017_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.49 _LACS_plot.Line_1_terminator_val_y_1 3.65 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.02 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.83 _LACS_plot.Line_2_terminator_val_x_2 5.60 _LACS_plot.Line_2_terminator_val_y_2 -1.51 _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 27 GLN 2.32 2.43 0 12 HIS -5.85 5.63 0 11 THR -0.51 0.23 1 13 LEU -1.19 0.39 1 14 LEU -0.49 -0.17 1 15 GLN -3.98 2.89 1 17 LEU -2.47 1.01 1 18 SER -4.39 2.88 1 19 SER 3.75 -1.32 1 20 ARG -0.12 -0.46 1 21 THR 3.42 -0.26 1 22 ARG -1.60 0.96 1 23 LEU 4.75 -1.10 1 24 ARG 4.71 -1.40 1 25 GLU 2.76 -0.49 1 26 LEU 4.44 -1.05 1 29 GLN 4.57 -1.42 1 30 ILE 5.17 -0.41 1 31 ALA 2.82 0.08 1 32 ALA 3.36 -0.95 1 33 ILE 1.12 0.69 1 34 THR -2.06 2.81 1 36 ILE 1.01 -1.06 1 37 ALA 1.82 -0.91 1 40 SER -1.67 0.90 1 41 GLN 0.97 0.02 1 42 ARG -0.92 0.86 1 43 ILE -1.68 1.04 1 44 LEU -3.17 2.12 1 45 VAL -5.23 2.81 1 47 TYR -2.19 2.66 1 50 GLU -5.28 3.48 1 52 LEU -2.15 1.33 1 53 ASP 0.50 -0.54 1 54 LEU 0.28 -2.11 1 55 SER 3.39 -0.08 1 56 ASP -2.12 0.19 1 57 ARG 2.43 -0.44 1 58 ASP -0.48 0.93 1 59 ILE 0.15 0.24 1 60 THR -3.05 1.49 1 61 LEU 5.60 -2.68 1 63 ASP -0.66 1.01 1 64 LEU -4.48 1.87 1 66 ILE -4.24 3.39 1 67 GLN -5.34 2.76 1 68 SER 3.29 -1.47 1 70 ASP -0.78 1.24 1 71 MET -3.10 1.32 1 72 LEU -2.31 0.71 1 73 ILE -0.81 0.36 1 74 VAL -1.88 0.34 1 75 GLU -6.49 3.41 1 76 GLU -2.89 1.32 1 77 ASP -0.77 0.41 1 78 GLN 0.17 -0.31 1 79 THR 1.22 -0.25 1 80 ARG 0.47 -0.30 1 82 LYS -0.08 0.19 1 83 ALA 0.48 1.25 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17017_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.49 _LACS_plot.Line_1_terminator_val_y_1 0.60 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.22 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.19 _LACS_plot.Line_2_terminator_val_x_2 5.60 _LACS_plot.Line_2_terminator_val_y_2 -0.59 _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 18 SER -4.39 -0.81 0 11 THR -0.51 0.69 1 12 HIS -5.85 0.02 1 13 LEU -1.19 0.29 1 14 LEU -0.49 0.17 1 15 GLN -3.98 0.49 1 17 LEU -2.47 0.05 1 19 SER 3.75 -1.14 1 20 ARG -0.12 -0.18 1 21 THR 3.42 -0.51 1 22 ARG -1.60 0.33 1 23 LEU 4.75 -0.48 1 24 ARG 4.71 -0.15 1 25 GLU 2.76 -0.15 1 26 LEU 4.44 -0.25 1 27 GLN 2.32 -0.25 1 29 GLN 4.57 -0.16 1 30 ILE 5.17 -0.78 1 31 ALA 2.82 -0.29 1 32 ALA 3.36 -0.32 1 33 ILE 1.12 -0.22 1 34 THR -2.06 -0.09 1 36 ILE 1.01 -0.27 1 37 ALA 1.82 -0.34 1 40 SER -1.67 0.25 1 41 GLN 0.97 -0.28 1 42 ARG -0.92 0.04 1 43 ILE -1.68 0.84 1 44 LEU -3.17 0.90 1 45 VAL -5.23 0.71 1 47 TYR -2.19 -0.53 1 50 GLU -5.28 0.27 1 52 LEU -2.15 -0.14 1 53 ASP 0.50 -0.25 1 54 LEU 0.28 0.01 1 55 SER 3.39 -0.53 1 56 ASP -2.12 0.22 1 57 ARG 2.43 -0.29 1 58 ASP -0.48 0.26 1 59 ILE 0.15 -0.02 1 60 THR -3.05 0.73 1 61 LEU 5.60 -0.52 1 63 ASP -0.66 0.22 1 64 LEU -4.48 0.44 1 66 ILE -4.24 0.14 1 67 GLN -5.34 -0.48 1 68 SER 3.29 -0.97 1 70 ASP -0.78 -0.04 1 71 MET -3.10 0.46 1 72 LEU -2.31 0.51 1 73 ILE -0.81 0.43 1 74 VAL -1.88 0.88 1 75 GLU -6.49 0.19 1 76 GLU -2.89 0.25 1 77 ASP -0.77 -0.08 1 78 GLN 0.17 0.05 1 79 THR 1.22 -0.16 1 80 ARG 0.47 -0.12 1 82 LYS -0.08 -0.13 1 83 ALA 0.48 -0.38 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17017_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.49 _LACS_plot.Line_1_terminator_val_y_1 3.22 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.28 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 1.71 _LACS_plot.Line_2_terminator_val_x_2 5.16 _LACS_plot.Line_2_terminator_val_y_2 -0.84 _LACS_plot.Y_axis_chem_shift_offset -0.99 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 31 ALA 2.82 -4.36 0 55 SER 3.39 4.32 0 19 SER 3.75 4.13 0 21 THR 3.42 4.89 0 11 THR -0.51 5.12 1 12 HIS -5.85 4.93 1 13 LEU -1.19 -0.19 1 14 LEU -0.49 -0.51 1 15 GLN -3.98 0.53 1 17 LEU -2.47 0.68 1 18 SER -4.39 5.35 1 20 ARG -0.12 0.45 1 22 ARG -1.60 -1.80 1 23 LEU 4.75 -3.06 1 24 ARG 4.71 -1.72 1 25 GLU 2.76 -3.16 1 26 LEU 4.44 -2.70 1 27 GLN 2.32 -2.38 1 29 GLN 4.57 -1.02 1 30 ILE 5.17 -2.96 1 32 ALA 3.36 -4.07 1 33 ILE 1.12 -0.19 1 34 THR -2.06 2.75 1 36 ILE 1.01 2.54 1 40 SER -1.67 5.91 1 41 GLN 0.97 1.57 1 42 ARG -0.92 2.88 1 43 ILE -1.68 2.98 1 44 LEU -3.17 -0.13 1 45 VAL -5.23 1.50 1 50 GLU -5.28 1.21 1 52 LEU -2.15 -0.45 1 53 ASP 0.50 0.99 1 54 LEU 0.28 -2.20 1 57 ARG 2.43 1.67 1 58 ASP -0.48 1.45 1 59 ILE 0.15 3.21 1 60 THR -3.05 1.81 1 63 ASP -0.66 1.48 1 66 ILE -4.24 1.81 1 67 GLN -5.34 3.10 1 68 SER 3.29 2.63 1 70 ASP -0.78 2.67 1 71 MET -3.10 2.11 1 72 LEU -2.31 0.39 1 73 ILE -0.81 1.95 1 74 VAL -1.88 2.37 1 75 GLU -6.49 2.58 1 76 GLU -2.89 0.95 1 78 GLN 0.17 0.96 1 79 THR 1.22 4.03 1 82 LYS -0.08 0.44 1 83 ALA 0.48 5.64 1 stop_ save_