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 bmr15344_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.09 _LACS_plot.Line_1_terminator_val_y_1 -2.76 _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 -1.73 _LACS_plot.Line_2_terminator_val_x_2 6.22 _LACS_plot.Line_2_terminator_val_y_2 5.17 _LACS_plot.Y_axis_chem_shift_offset 0.01 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 61 LEU -6.09 -2.62 0 10 ARG 1.33 1.46 1 11 GLN -3.27 -1.30 1 12 VAL -4.76 -2.07 1 13 THR 0.56 0.08 1 14 LEU 3.17 1.02 1 16 ASP 0.07 -1.04 1 18 THR 1.25 1.34 1 19 VAL -1.57 -0.71 1 20 LEU -4.14 -1.48 1 21 SER -4.35 -1.78 1 22 ARG 5.99 4.21 1 23 ALA 2.14 1.50 1 24 ASP -0.40 0.53 1 25 LEU 1.86 0.21 1 28 LEU 3.84 2.73 1 29 ASP 0.69 -1.10 1 30 THR 3.82 4.01 1 31 ARG -2.00 -0.60 1 32 ARG -0.69 -1.24 1 33 TRP 0.53 -0.58 1 34 VAL -1.81 -2.02 1 35 ALA 4.89 4.12 1 36 SER 5.08 2.95 1 37 ARG 2.83 2.94 1 38 LYS 3.44 3.65 1 39 ALA 3.57 2.59 1 40 ALA 3.64 3.01 1 41 VAL 5.83 5.08 1 42 VAL 6.23 5.50 1 43 LYS 4.38 4.14 1 44 ALA 2.10 2.82 1 45 VAL 2.62 2.18 1 46 ILE 4.91 4.29 1 47 HIS 1.26 1.74 1 49 LEU 1.91 2.48 1 50 ILE -5.68 -2.84 1 51 THR -2.49 -1.07 1 52 GLU 4.40 3.92 1 53 ARG 3.27 2.63 1 54 GLU 2.93 2.71 1 55 ALA 4.81 3.37 1 56 LEU 5.91 3.07 1 57 ASP 2.63 2.44 1 58 ARG 3.58 3.14 1 59 TYR 0.20 -0.55 1 60 SER 2.75 0.18 1 62 SER -3.94 -2.18 1 63 GLU 4.29 3.74 1 64 GLU 3.91 3.22 1 65 GLU 2.67 2.22 1 66 PHE 3.82 3.50 1 67 ALA 4.25 2.80 1 68 LEU 3.84 2.52 1 69 TRP 2.94 1.73 1 70 ARG 4.34 3.61 1 71 SER 3.68 2.77 1 72 ALA 2.15 1.74 1 73 VAL 2.39 1.96 1 74 ALA 1.55 1.06 1 75 ALA 1.03 0.74 1 76 HIS 0.36 1.64 1 78 GLU 0.00 0.24 1 79 LYS 1.15 0.86 1 80 ALA 0.19 0.21 1 81 LEU 0.81 0.57 1 82 LYS 0.77 0.52 1 83 VAL 0.92 0.76 1 84 THR 0.83 0.76 1 85 MET 0.73 0.67 1 86 ILE 1.31 0.91 1 87 GLN 1.46 1.10 1 88 LYS 1.38 1.09 1 89 TYR 1.04 0.65 1 90 ARG 1.42 1.09 1 91 GLN 1.37 1.10 1 92 LEU 0.48 0.32 1 93 HIS 0.55 1.80 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15344_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.09 _LACS_plot.Line_1_terminator_val_y_1 3.33 _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 0.27 _LACS_plot.Line_2_terminator_val_x_2 6.22 _LACS_plot.Line_2_terminator_val_y_2 -1.05 _LACS_plot.Y_axis_chem_shift_offset 0.01 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 61 LEU -6.09 3.47 0 10 ARG 1.33 0.13 1 11 GLN -3.27 1.97 1 12 VAL -4.76 2.69 1 13 THR 0.56 -0.48 1 14 LEU 3.17 -2.15 1 16 ASP 0.07 -1.11 1 18 THR 1.25 0.09 1 19 VAL -1.57 0.86 1 20 LEU -4.14 2.66 1 21 SER -4.35 2.57 1 22 ARG 5.99 -1.78 1 23 ALA 2.14 -0.64 1 24 ASP -0.40 0.93 1 25 LEU 1.86 -1.65 1 28 LEU 3.84 -1.11 1 29 ASP 0.69 -1.79 1 30 THR 3.82 0.19 1 31 ARG -2.00 1.40 1 32 ARG -0.69 -0.55 1 33 TRP 0.53 -1.11 1 34 VAL -1.81 -0.21 1 35 ALA 4.89 -0.77 1 36 SER 5.08 -2.13 1 37 ARG 2.83 0.11 1 38 LYS 3.44 0.21 1 39 ALA 3.57 -0.98 1 40 ALA 3.64 -0.63 1 41 VAL 5.83 -0.75 1 42 VAL 6.23 -0.73 1 43 LYS 4.38 -0.24 1 44 ALA 2.10 0.72 1 45 VAL 2.62 -0.44 1 46 ILE 4.91 -0.62 1 47 HIS 1.26 0.48 1 49 LEU 1.91 0.57 1 50 ILE -5.68 2.84 1 51 THR -2.49 1.42 1 52 GLU 4.40 -0.48 1 53 ARG 3.27 -0.64 1 54 GLU 2.93 -0.22 1 55 ALA 4.81 -1.44 1 56 LEU 5.91 -2.84 1 57 ASP 2.63 -0.19 1 58 ARG 3.58 -0.44 1 59 TYR 0.20 -0.75 1 60 SER 2.75 -2.57 1 62 SER -3.94 1.76 1 63 GLU 4.29 -0.55 1 64 GLU 3.91 -0.69 1 65 GLU 2.67 -0.45 1 66 PHE 3.82 -0.32 1 67 ALA 4.25 -1.45 1 68 LEU 3.84 -1.32 1 69 TRP 2.94 -1.21 1 70 ARG 4.34 -0.73 1 71 SER 3.68 -0.91 1 72 ALA 2.15 -0.41 1 73 VAL 2.39 -0.43 1 74 ALA 1.55 -0.49 1 75 ALA 1.03 -0.29 1 76 HIS 0.36 1.28 1 78 GLU 0.00 0.24 1 79 LYS 1.15 -0.29 1 80 ALA 0.19 0.02 1 81 LEU 0.81 -0.24 1 82 LYS 0.77 -0.25 1 83 VAL 0.92 -0.16 1 84 THR 0.83 -0.07 1 85 MET 0.73 -0.06 1 86 ILE 1.31 -0.40 1 87 GLN 1.46 -0.36 1 88 LYS 1.38 -0.29 1 89 TYR 1.04 -0.39 1 90 ARG 1.42 -0.33 1 91 GLN 1.37 -0.27 1 92 LEU 0.48 -0.16 1 93 HIS 0.55 1.25 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15344_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.09 _LACS_plot.Line_1_terminator_val_y_1 0.59 _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 0.20 _LACS_plot.Line_2_terminator_val_x_2 6.22 _LACS_plot.Line_2_terminator_val_y_2 -0.66 _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 66 PHE 3.82 -1.33 0 10 ARG 1.33 -0.17 1 11 GLN -3.27 0.83 1 12 VAL -4.76 0.50 1 13 THR 0.56 0.42 1 14 LEU 3.17 -0.47 1 16 ASP 0.07 -0.15 1 18 THR 1.25 -0.20 1 19 VAL -1.57 0.61 1 20 LEU -4.14 0.44 1 21 SER -4.35 0.74 1 22 ARG 5.99 -0.47 1 23 ALA 2.14 -0.15 1 24 ASP -0.40 -0.01 1 25 LEU 1.86 -0.28 1 28 LEU 3.84 -0.16 1 29 ASP 0.69 -0.02 1 30 THR 3.82 -0.75 1 31 ARG -2.00 0.24 1 32 ARG -0.69 0.18 1 33 TRP 0.53 -0.37 1 34 VAL -1.81 0.33 1 35 ALA 4.89 -0.57 1 36 SER 5.08 -0.33 1 37 ARG 2.83 0.01 1 38 LYS 3.44 -0.73 1 39 ALA 3.57 -0.45 1 40 ALA 3.64 -0.19 1 41 VAL 5.83 -0.48 1 42 VAL 6.23 -0.40 1 43 LYS 4.38 -0.34 1 44 ALA 2.10 -0.35 1 45 VAL 2.62 0.37 1 46 ILE 4.91 -0.48 1 47 HIS 1.26 -0.07 1 49 LEU 1.91 -0.25 1 50 ILE -5.68 0.52 1 51 THR -2.49 0.12 1 52 GLU 4.40 -0.84 1 53 ARG 3.27 -0.60 1 54 GLU 2.93 -0.37 1 55 ALA 4.81 -0.63 1 56 LEU 5.91 -0.74 1 57 ASP 2.63 -0.29 1 58 ARG 3.58 -0.61 1 59 TYR 0.20 0.47 1 60 SER 2.75 -0.39 1 61 LEU -6.09 0.24 1 62 SER -3.94 0.08 1 63 GLU 4.29 -0.54 1 64 GLU 3.91 -0.38 1 65 GLU 2.67 -0.39 1 67 ALA 4.25 -0.48 1 68 LEU 3.84 -0.18 1 69 TRP 2.94 -0.32 1 70 ARG 4.34 -0.60 1 71 SER 3.68 -0.26 1 72 ALA 2.15 -0.09 1 73 VAL 2.39 -0.27 1 74 ALA 1.55 -0.12 1 75 ALA 1.03 -0.11 1 76 HIS 0.36 -0.15 1 78 GLU 0.00 -0.14 1 79 LYS 1.15 -0.11 1 80 ALA 0.19 -0.07 1 81 LEU 0.81 -0.09 1 82 LYS 0.77 -0.04 1 83 VAL 0.92 -0.03 1 84 THR 0.83 -0.07 1 85 MET 0.73 -0.03 1 86 ILE 1.31 -0.11 1 87 GLN 1.46 -0.15 1 88 LYS 1.38 -0.19 1 89 TYR 1.04 -0.06 1 90 ARG 1.42 -0.22 1 91 GLN 1.37 -0.16 1 92 LEU 0.48 -0.07 1 93 HIS 0.55 -0.59 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15344_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.09 _LACS_plot.Line_1_terminator_val_y_1 -2.05 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.86 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.70 _LACS_plot.Line_2_terminator_val_x_2 6.22 _LACS_plot.Line_2_terminator_val_y_2 2.46 _LACS_plot.Y_axis_chem_shift_offset -0.11 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 45 VAL 2.62 4.29 0 21 SER -4.35 1.45 0 10 ARG 1.33 -0.39 1 11 GLN -3.27 -2.11 1 12 VAL -4.76 -2.50 1 13 THR 0.56 -0.17 1 14 LEU 3.17 1.66 1 16 ASP 0.07 0.76 1 18 THR 1.25 -2.12 1 19 VAL -1.57 -0.48 1 20 LEU -4.14 -2.85 1 22 ARG 5.99 2.09 1 23 ALA 2.14 -0.04 1 24 ASP -0.40 0.31 1 25 LEU 1.86 -0.98 1 28 LEU 3.84 -0.73 1 29 ASP 0.69 -0.14 1 30 THR 3.82 -0.33 1 32 ARG -0.69 -0.96 1 33 TRP 0.53 0.11 1 34 VAL -1.81 0.92 1 35 ALA 4.89 2.31 1 36 SER 5.08 2.69 1 37 ARG 2.83 1.52 1 38 LYS 3.44 2.34 1 39 ALA 3.57 1.20 1 40 ALA 3.64 1.71 1 41 VAL 5.83 1.12 1 42 VAL 6.23 2.08 1 43 LYS 4.38 1.23 1 44 ALA 2.10 1.12 1 46 ILE 4.91 2.04 1 47 HIS 1.26 1.21 1 49 LEU 1.91 -1.49 1 50 ILE -5.68 -1.41 1 51 THR -2.49 0.53 1 52 GLU 4.40 0.69 1 53 ARG 3.27 1.40 1 54 GLU 2.93 2.31 1 55 ALA 4.81 0.58 1 56 LEU 5.91 2.67 1 57 ASP 2.63 2.82 1 58 ARG 3.58 1.06 1 59 TYR 0.20 -2.03 1 60 SER 2.75 1.80 1 61 LEU -6.09 -1.14 1 62 SER -3.94 0.49 1 63 GLU 4.29 2.81 1 64 GLU 3.91 2.10 1 65 GLU 2.67 1.18 1 66 PHE 3.82 1.22 1 67 ALA 4.25 3.27 1 68 LEU 3.84 3.03 1 69 TRP 2.94 3.08 1 70 ARG 4.34 2.51 1 71 SER 3.68 1.47 1 72 ALA 2.15 1.83 1 73 VAL 2.39 0.99 1 74 ALA 1.55 0.52 1 75 ALA 1.03 0.43 1 76 HIS 0.36 2.12 1 78 GLU 0.00 0.45 1 79 LYS 1.15 0.06 1 80 ALA 0.19 0.07 1 81 LEU 0.81 -0.17 1 82 LYS 0.77 0.21 1 83 VAL 0.92 0.30 1 84 THR 0.83 0.07 1 85 MET 0.73 0.22 1 86 ILE 1.31 0.31 1 87 GLN 1.46 0.62 1 88 LYS 1.38 0.38 1 89 TYR 1.04 0.35 1 90 ARG 1.42 0.33 1 91 GLN 1.37 0.49 1 92 LEU 0.48 0.03 1 stop_ save_