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 bmr11316_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.58 _LACS_plot.Line_1_terminator_val_y_1 -2.80 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.03 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.16 _LACS_plot.Line_2_terminator_val_x_2 6.88 _LACS_plot.Line_2_terminator_val_y_2 5.18 _LACS_plot.Y_axis_chem_shift_offset -0.20 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 25 PHE -5.23 -0.73 0 10 HIS -0.85 1.40 1 11 SER 0.94 0.72 1 13 GLU -0.21 0.24 1 14 LYS -1.23 -0.40 1 16 TYR 0.06 0.31 1 17 GLU -6.58 -2.65 1 19 TYR 3.08 1.10 1 20 ILE 2.32 2.35 1 22 HIS 6.88 3.24 1 23 ALA 0.25 0.86 1 24 ARG -4.00 -1.47 1 26 THR 2.32 2.19 1 27 GLN -4.45 -1.67 1 28 SER 4.21 2.52 1 30 THR 4.89 3.17 1 31 MET 4.52 3.44 1 32 LYS 5.01 4.13 1 33 MET 3.46 2.38 1 34 HIS 6.11 4.43 1 35 ILE 6.07 5.40 1 36 LEU 2.67 2.43 1 37 GLN 2.25 2.43 1 38 LYS 0.17 -1.30 1 39 HIS -2.24 -1.71 1 40 THR 1.38 1.29 1 41 GLU -0.01 0.29 1 42 ASN 0.62 0.58 1 43 VAL -0.30 -0.18 1 44 ALA -0.53 -0.18 1 45 LYS -1.51 -0.61 1 46 PHE -1.43 -0.72 1 47 HIS -1.73 0.13 1 50 HIS -0.83 1.02 1 52 ASP 1.02 0.71 1 53 THR 3.24 2.86 1 54 VAL 0.90 0.26 1 55 ILE -2.47 -2.08 1 56 ALA 1.28 2.08 1 57 ARG -3.37 -1.65 1 58 LYS 5.09 3.82 1 59 SER 4.26 2.35 1 60 ASP 1.77 1.75 1 61 LEU 5.04 3.54 1 63 VAL 4.83 3.98 1 64 HIS 6.06 5.23 1 65 LEU 4.68 3.69 1 66 ARG 3.36 3.02 1 67 LYS 2.32 2.54 1 68 GLN -0.04 -0.31 1 69 HIS -1.57 -1.59 1 70 SER 1.94 0.60 1 71 TYR 0.20 0.29 1 72 SER -0.50 -0.15 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11316_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.58 _LACS_plot.Line_1_terminator_val_y_1 3.78 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.97 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.84 _LACS_plot.Line_2_terminator_val_x_2 6.88 _LACS_plot.Line_2_terminator_val_y_2 -1.70 _LACS_plot.Y_axis_chem_shift_offset -0.20 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 25 PHE -5.23 4.50 0 10 HIS -0.85 2.25 1 11 SER 0.94 -0.22 1 13 GLU -0.21 0.45 1 14 LYS -1.23 0.83 1 16 TYR 0.06 0.25 1 17 GLU -6.58 3.93 1 19 TYR 3.08 -1.98 1 20 ILE 2.32 0.03 1 22 HIS 6.88 -3.64 1 23 ALA 0.25 0.61 1 24 ARG -4.00 2.53 1 26 THR 2.32 -0.13 1 27 GLN -4.45 2.78 1 28 SER 4.21 -1.69 1 30 THR 4.89 -1.72 1 31 MET 4.52 -1.08 1 32 LYS 5.01 -0.88 1 33 MET 3.46 -1.08 1 34 HIS 6.11 -1.68 1 35 ILE 6.07 -0.67 1 36 LEU 2.67 -0.24 1 37 GLN 2.25 0.18 1 38 LYS 0.17 -1.47 1 39 HIS -2.24 0.53 1 40 THR 1.38 -0.09 1 41 GLU -0.01 0.30 1 42 ASN 0.62 -0.04 1 43 VAL -0.30 0.12 1 44 ALA -0.53 0.35 1 45 LYS -1.51 0.90 1 46 PHE -1.43 0.71 1 47 HIS -1.73 1.86 1 50 HIS -0.83 1.85 1 52 ASP 1.02 -0.31 1 53 THR 3.24 -0.38 1 54 VAL 0.90 -0.64 1 55 ILE -2.47 0.39 1 56 ALA 1.28 0.80 1 57 ARG -3.37 1.72 1 58 LYS 5.09 -1.27 1 59 SER 4.26 -1.91 1 60 ASP 1.77 -0.02 1 61 LEU 5.04 -1.50 1 63 VAL 4.83 -0.85 1 64 HIS 6.06 -0.83 1 65 LEU 4.68 -0.99 1 66 ARG 3.36 -0.34 1 67 LYS 2.32 0.22 1 68 GLN -0.04 -0.27 1 69 HIS -1.57 -0.02 1 70 SER 1.94 -1.34 1 71 TYR 0.20 0.09 1 72 SER -0.50 0.35 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11316_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.58 _LACS_plot.Line_1_terminator_val_y_1 0.48 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.19 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.09 _LACS_plot.Line_2_terminator_val_x_2 6.88 _LACS_plot.Line_2_terminator_val_y_2 -0.52 _LACS_plot.Y_axis_chem_shift_offset 0.04 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 31 MET 4.52 -2.08 0 10 HIS -0.85 -0.08 1 11 SER 0.94 -0.10 1 13 GLU -0.21 -0.18 1 14 LYS -1.23 -0.09 1 16 TYR 0.06 0.02 1 17 GLU -6.58 0.77 1 19 TYR 3.08 -0.18 1 20 ILE 2.32 -0.62 1 22 HIS 6.88 -0.22 1 23 ALA 0.25 -0.17 1 24 ARG -4.00 0.89 1 25 PHE -5.23 0.21 1 26 THR 2.32 0.16 1 27 GLN -4.45 0.44 1 28 SER 4.21 -1.37 1 30 THR 4.89 -0.48 1 32 LYS 5.01 -0.48 1 33 MET 3.46 -0.29 1 34 HIS 6.11 -0.47 1 35 ILE 6.07 -0.75 1 36 LEU 2.67 -0.29 1 37 GLN 2.25 -0.31 1 38 LYS 0.17 -0.08 1 39 HIS -2.24 0.59 1 40 THR 1.38 -0.04 1 41 GLU -0.01 -0.08 1 42 ASN 0.62 -0.09 1 43 VAL -0.30 0.00 1 44 ALA -0.53 -0.06 1 45 LYS -1.51 -0.10 1 46 PHE -1.43 0.02 1 47 HIS -1.73 -0.02 1 50 HIS -0.83 -0.04 1 52 ASP 1.02 0.07 1 53 THR 3.24 -0.27 1 54 VAL 0.90 -0.07 1 55 ILE -2.47 0.07 1 56 ALA 1.28 -0.04 1 57 ARG -3.37 0.37 1 58 LYS 5.09 -1.16 1 59 SER 4.26 -0.34 1 60 ASP 1.77 0.03 1 61 LEU 5.04 -0.21 1 63 VAL 4.83 -0.43 1 64 HIS 6.06 -0.39 1 65 LEU 4.68 -0.49 1 66 ARG 3.36 -0.23 1 67 LYS 2.32 -0.24 1 68 GLN -0.04 -0.09 1 69 HIS -1.57 0.36 1 70 SER 1.94 -0.19 1 71 TYR 0.20 -0.01 1 72 SER -0.50 -0.04 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11316_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.58 _LACS_plot.Line_1_terminator_val_y_1 -1.64 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.54 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.52 _LACS_plot.Line_2_terminator_val_x_2 6.88 _LACS_plot.Line_2_terminator_val_y_2 1.89 _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 22 HIS 6.88 -0.80 0 11 SER 0.94 0.34 1 13 GLU -0.21 -0.18 1 14 LYS -1.23 -0.57 1 16 TYR 0.06 -1.84 1 17 GLU -6.58 -1.29 1 19 TYR 3.08 -1.83 1 20 ILE 2.32 -0.29 1 23 ALA 0.25 -2.32 1 24 ARG -4.00 -0.58 1 25 PHE -5.23 -0.23 1 26 THR 2.32 -0.20 1 27 GLN -4.45 -0.50 1 28 SER 4.21 2.95 1 30 THR 4.89 1.99 1 31 MET 4.52 0.69 1 32 LYS 5.01 2.82 1 33 MET 3.46 1.12 1 34 HIS 6.11 2.28 1 35 ILE 6.07 2.11 1 36 LEU 2.67 1.10 1 37 GLN 2.25 2.30 1 38 LYS 0.17 0.78 1 39 HIS -2.24 0.75 1 40 THR 1.38 -0.02 1 41 GLU -0.01 -0.36 1 42 ASN 0.62 -0.27 1 43 VAL -0.30 -0.86 1 44 ALA -0.53 -1.13 1 45 LYS -1.51 -1.60 1 46 PHE -1.43 -1.81 1 47 HIS -1.73 0.13 1 50 HIS -0.83 1.06 1 52 ASP 1.02 -0.34 1 54 VAL 0.90 -1.16 1 55 ILE -2.47 -1.18 1 56 ALA 1.28 -0.46 1 57 ARG -3.37 0.00 1 59 SER 4.26 1.71 1 60 ASP 1.77 2.01 1 61 LEU 5.04 0.25 1 63 VAL 4.83 1.16 1 64 HIS 6.06 3.06 1 65 LEU 4.68 2.16 1 66 ARG 3.36 1.87 1 67 LYS 2.32 1.89 1 68 GLN -0.04 0.53 1 69 HIS -1.57 0.27 1 70 SER 1.94 -0.43 1 71 TYR 0.20 -0.08 1 stop_ save_