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 bmr17314_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.27 _LACS_plot.Line_1_terminator_val_y_1 -3.21 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.72 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.34 _LACS_plot.Line_2_terminator_val_x_2 8.64 _LACS_plot.Line_2_terminator_val_y_2 6.59 _LACS_plot.Y_axis_chem_shift_offset -0.05 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 30 LEU -6.62 -0.99 0 22 LYS 2.88 4.48 0 45 LEU -8.27 -2.06 0 104 ILE 8.64 3.71 0 11 HIS -0.31 0.50 1 12 LEU -0.86 -0.02 1 13 SER -4.02 -1.96 1 14 ARG 5.23 4.86 1 15 ASP 4.03 3.27 1 16 GLN 2.73 2.60 1 17 ALA 4.20 2.74 1 18 ILE 5.23 5.17 1 19 ALA 3.64 2.71 1 20 LEU 1.30 1.76 1 21 LEU -1.90 0.18 1 23 ASP -0.46 -0.71 1 24 LYS -0.97 -0.56 1 28 ALA -0.35 0.45 1 29 PHE -6.03 -2.09 1 31 ILE -1.94 -0.92 1 32 ARG -6.65 -3.27 1 33 ASP 2.90 1.20 1 34 SER -0.86 -0.80 1 35 HIS 1.73 1.53 1 36 SER 2.09 2.04 1 37 PHE -1.20 -1.24 1 38 GLN 2.89 1.81 1 40 ALA -3.66 -1.64 1 41 TYR -4.33 -1.56 1 43 LEU -3.22 -1.36 1 44 ALA -4.64 -2.50 1 46 LYS -1.43 -1.84 1 47 VAL -4.30 -3.10 1 48 ALA -1.29 -0.18 1 49 THR -1.19 -0.81 1 53 SER -0.97 -0.74 1 54 ALA 0.50 0.40 1 57 TRP -1.00 -0.65 1 58 LYS -0.24 -0.51 1 60 ASP -0.62 0.10 1 62 VAL 3.34 2.09 1 63 GLU 1.41 1.42 1 64 GLN 1.06 0.51 1 65 LEU 0.71 -0.21 1 66 VAL -0.47 -1.17 1 67 ARG -4.70 -3.18 1 68 HIS -3.86 0.52 1 69 PHE -4.69 -1.58 1 70 LEU -4.30 -1.25 1 71 ILE -2.46 -1.26 1 72 GLU -5.43 -2.03 1 73 THR -2.74 -1.34 1 76 LYS 2.02 0.24 1 78 VAL -4.51 -3.43 1 79 LYS -5.41 -0.95 1 80 ILE 2.87 1.60 1 81 LYS -0.04 1.26 1 85 SER 2.17 0.75 1 86 GLU 0.40 0.09 1 88 TYR -0.27 0.85 1 89 PHE -4.90 -0.83 1 91 SER -4.41 -2.14 1 92 LEU 2.87 2.57 1 94 ALA 2.88 2.46 1 95 LEU 4.04 3.62 1 96 VAL 5.42 4.12 1 98 GLN 3.90 2.92 1 100 SER 1.31 1.28 1 101 ILE 0.01 1.15 1 102 SER -4.40 -2.38 1 105 SER 0.47 1.71 1 110 LEU 1.49 -1.14 1 111 ARG -1.59 -1.38 1 112 ILE 0.63 0.02 1 114 SER -1.15 -0.54 1 115 LYS -0.25 -0.08 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17314_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.27 _LACS_plot.Line_1_terminator_val_y_1 5.06 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.28 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.66 _LACS_plot.Line_2_terminator_val_x_2 8.64 _LACS_plot.Line_2_terminator_val_y_2 -2.05 _LACS_plot.Y_axis_chem_shift_offset -0.05 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 30 LEU -6.62 5.63 0 22 LYS 2.88 1.60 0 45 LEU -8.27 6.21 0 104 ILE 8.64 -4.93 0 11 HIS -0.31 0.81 1 12 LEU -0.86 0.84 1 13 SER -4.02 2.06 1 14 ARG 5.23 -0.37 1 15 ASP 4.03 -0.76 1 16 GLN 2.73 -0.13 1 17 ALA 4.20 -1.46 1 18 ILE 5.23 -0.06 1 19 ALA 3.64 -0.93 1 20 LEU 1.30 0.46 1 21 LEU -1.90 2.08 1 23 ASP -0.46 -0.25 1 24 LYS -0.97 0.41 1 28 ALA -0.35 0.80 1 29 PHE -6.03 3.94 1 31 ILE -1.94 1.02 1 32 ARG -6.65 3.38 1 33 ASP 2.90 -1.70 1 34 SER -0.86 0.06 1 35 HIS 1.73 -0.20 1 36 SER 2.09 -0.05 1 37 PHE -1.20 -0.04 1 38 GLN 2.89 -1.08 1 40 ALA -3.66 2.02 1 41 TYR -4.33 2.77 1 43 LEU -3.22 1.86 1 44 ALA -4.64 2.14 1 46 LYS -1.43 -0.41 1 47 VAL -4.30 1.20 1 48 ALA -1.29 1.11 1 49 THR -1.19 0.38 1 53 SER -0.97 0.23 1 54 ALA 0.50 -0.10 1 57 TRP -1.00 0.35 1 58 LYS -0.24 -0.27 1 60 ASP -0.62 0.72 1 62 VAL 3.34 -1.25 1 63 GLU 1.41 0.01 1 64 GLN 1.06 -0.55 1 65 LEU 0.71 -0.92 1 66 VAL -0.47 -0.70 1 67 ARG -4.70 1.52 1 68 HIS -3.86 4.38 1 69 PHE -4.69 3.11 1 70 LEU -4.30 3.05 1 71 ILE -2.46 1.20 1 72 GLU -5.43 3.40 1 73 THR -2.74 1.40 1 76 LYS 2.02 -1.78 1 78 VAL -4.51 1.08 1 79 LYS -5.41 4.46 1 80 ILE 2.87 -1.27 1 81 LYS -0.04 1.30 1 85 SER 2.17 -1.42 1 86 GLU 0.40 -0.31 1 88 TYR -0.27 1.12 1 89 PHE -4.90 4.07 1 91 SER -4.41 2.27 1 92 LEU 2.87 -0.30 1 94 ALA 2.88 -0.42 1 95 LEU 4.04 -0.42 1 96 VAL 5.42 -1.30 1 98 GLN 3.90 -0.98 1 100 SER 1.31 -0.03 1 101 ILE 0.01 1.14 1 102 SER -4.40 2.02 1 105 SER 0.47 1.24 1 110 LEU 1.49 -2.63 1 111 ARG -1.59 0.21 1 112 ILE 0.63 -0.61 1 114 SER -1.15 0.61 1 115 LYS -0.25 0.17 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17314_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.27 _LACS_plot.Line_1_terminator_val_y_1 0.87 _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 8.64 _LACS_plot.Line_2_terminator_val_y_2 -0.89 _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 110 LEU 1.49 115.07 0 11 HIS -0.31 -0.08 1 12 LEU -0.86 -0.01 1 13 SER -4.02 0.12 1 14 ARG 5.23 -0.73 1 15 ASP 4.03 -0.29 1 16 GLN 2.73 -0.34 1 17 ALA 4.20 -0.41 1 18 ILE 5.23 -0.77 1 19 ALA 3.64 -0.41 1 20 LEU 1.30 -0.25 1 21 LEU -1.90 -0.08 1 22 LYS 2.88 -0.67 1 23 ASP -0.46 0.22 1 24 LYS -0.97 -0.23 1 28 ALA -0.35 0.33 1 29 PHE -6.03 1.22 1 30 LEU -6.62 0.46 1 31 ILE -1.94 1.29 1 32 ARG -6.65 0.83 1 33 ASP 2.90 0.31 1 34 SER -0.86 -0.04 1 35 HIS 1.73 -0.11 1 36 SER 2.09 -0.37 1 37 PHE -1.20 -0.07 1 38 GLN 2.89 -0.31 1 40 ALA -3.66 0.49 1 41 TYR -4.33 0.75 1 43 LEU -3.22 0.87 1 44 ALA -4.64 0.88 1 45 LEU -8.27 0.74 1 46 LYS -1.43 0.57 1 47 VAL -4.30 0.71 1 48 ALA -1.29 0.01 1 49 THR -1.19 -0.16 1 53 SER -0.97 -0.06 1 54 ALA 0.50 -0.08 1 57 TRP -1.00 -0.03 1 58 LYS -0.24 -0.08 1 62 VAL 3.34 -0.29 1 63 GLU 1.41 -0.34 1 65 LEU 0.71 -0.24 1 66 VAL -0.47 0.50 1 67 ARG -4.70 0.09 1 68 HIS -3.86 0.68 1 69 PHE -4.69 0.07 1 70 LEU -4.30 0.88 1 71 ILE -2.46 0.49 1 72 GLU -5.43 0.50 1 73 THR -2.74 0.87 1 76 LYS 2.02 -0.39 1 78 VAL -4.51 1.48 1 79 LYS -5.41 0.49 1 80 ILE 2.87 -0.06 1 81 LYS -0.04 -0.27 1 85 SER 2.17 -0.28 1 86 GLU 0.40 0.19 1 88 TYR -0.27 -0.04 1 89 PHE -4.90 0.18 1 91 SER -4.41 0.17 1 92 LEU 2.87 -0.51 1 94 ALA 2.88 -0.21 1 96 VAL 5.42 1.45 1 98 GLN 3.90 -0.30 1 100 SER 1.31 0.46 1 101 ILE 0.01 0.00 1 102 SER -4.40 -0.01 1 104 ILE 8.64 -0.55 1 105 SER 0.47 -0.04 1 111 ARG -1.59 0.03 1 114 SER -1.15 -0.15 1 115 LYS -0.25 -0.22 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17314_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.27 _LACS_plot.Line_1_terminator_val_y_1 -2.54 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.52 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.60 _LACS_plot.Line_2_terminator_val_x_2 8.64 _LACS_plot.Line_2_terminator_val_y_2 2.03 _LACS_plot.Y_axis_chem_shift_offset 0.09 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 104 ILE 8.64 -1.28 0 11 HIS -0.31 1.66 1 12 LEU -0.86 -0.38 1 13 SER -4.02 0.38 1 14 ARG 5.23 1.74 1 15 ASP 4.03 3.58 1 16 GLN 2.73 2.71 1 17 ALA 4.20 0.71 1 18 ILE 5.23 1.16 1 19 ALA 3.64 2.51 1 20 LEU 1.30 1.19 1 22 LYS 2.88 -0.14 1 23 ASP -0.46 0.21 1 24 LYS -0.97 0.69 1 28 ALA -0.35 -1.99 1 29 PHE -6.03 -3.15 1 30 LEU -6.62 -2.16 1 31 ILE -1.94 -3.81 1 32 ARG -6.65 -1.37 1 33 ASP 2.90 -0.27 1 34 SER -0.86 1.18 1 35 HIS 1.73 1.70 1 36 SER 2.09 -0.84 1 37 PHE -1.20 -1.38 1 38 GLN 2.89 1.35 1 40 ALA -3.66 -0.78 1 41 TYR -4.33 -0.88 1 43 LEU -3.22 -4.05 1 44 ALA -4.64 -3.32 1 45 LEU -8.27 -3.21 1 46 LYS -1.43 -1.46 1 47 VAL -4.30 -1.52 1 48 ALA -1.29 -0.08 1 49 THR -1.19 -1.36 1 53 SER -0.97 -0.42 1 54 ALA 0.50 -0.28 1 57 TRP -1.00 0.20 1 58 LYS -0.24 -0.67 1 60 ASP -0.62 1.25 1 62 VAL 3.34 1.08 1 63 GLU 1.41 0.80 1 64 GLN 1.06 -0.30 1 65 LEU 0.71 -2.72 1 66 VAL -0.47 -1.44 1 67 ARG -4.70 -2.21 1 68 HIS -3.86 1.21 1 69 PHE -4.69 -1.22 1 70 LEU -4.30 -2.46 1 71 ILE -2.46 -1.08 1 72 GLU -5.43 -1.34 1 73 THR -2.74 -0.54 1 76 LYS 2.02 -1.32 1 78 VAL -4.51 -0.52 1 79 LYS -5.41 -0.78 1 80 ILE 2.87 -1.64 1 81 LYS -0.04 1.30 1 88 TYR -0.27 1.08 1 89 PHE -4.90 0.87 1 91 SER -4.41 -0.39 1 92 LEU 2.87 0.76 1 94 ALA 2.88 1.14 1 95 LEU 4.04 2.88 1 96 VAL 5.42 0.64 1 98 GLN 3.90 2.73 1 100 SER 1.31 -1.11 1 101 ILE 0.01 -0.66 1 102 SER -4.40 -1.29 1 105 SER 0.47 0.19 1 110 LEU 1.49 -1.29 1 111 ARG -1.59 -1.66 1 114 SER -1.15 -0.36 1 115 LYS -0.25 -0.69 1 stop_ save_