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 bmr18288_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -0.76 _LACS_plot.Line_1_terminator_val_y_1 -0.50 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 1.77 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.28 _LACS_plot.Line_2_terminator_val_x_2 4.86 _LACS_plot.Line_2_terminator_val_y_2 3.77 _LACS_plot.Y_axis_chem_shift_offset -0.16 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 40 HIS 1.59 2.27 0 84 HIS 2.05 2.68 0 10 LEU 0.66 0.67 1 11 ASN 0.20 0.38 1 14 LEU -0.27 -0.18 1 18 THR 0.25 0.37 1 21 SER -0.36 -0.02 1 23 ASP 0.14 0.15 1 24 ALA -0.76 -0.33 1 25 SER -0.04 0.12 1 27 ALA -0.31 -0.07 1 28 ARG 1.52 1.23 1 29 TRP -0.63 -0.34 1 31 TRP 0.10 -0.05 1 32 ARG 2.70 2.61 1 37 ASN -0.24 -0.41 1 38 VAL 2.56 1.78 1 39 ASN 2.37 2.10 1 41 TYR 1.90 1.73 1 42 ALA 2.04 1.72 1 43 SER 1.72 1.42 1 44 LYS 1.94 1.44 1 45 LYS 2.90 2.50 1 46 SER 2.41 1.97 1 47 ALA 1.97 1.58 1 48 ALA 2.17 1.77 1 49 GLU 1.78 1.75 1 50 SER 1.67 1.79 1 51 MET 1.07 1.60 1 52 LEU 0.03 0.59 1 53 ASP 0.11 -0.16 1 54 ILE 3.96 2.62 1 55 ALA 3.70 2.82 1 56 LEU 2.96 2.40 1 57 LEU 3.65 3.10 1 58 MET 3.14 2.52 1 59 ALA 2.88 2.14 1 60 ASN 1.38 1.79 1 61 ALA 3.14 2.44 1 62 SER 3.81 3.17 1 63 GLN 3.06 2.25 1 64 LEU 3.02 2.38 1 65 LYS 4.32 3.55 1 66 ALA 2.90 2.08 1 67 VAL 4.47 3.41 1 68 VAL 4.44 3.20 1 69 GLU 2.32 1.89 1 70 GLN 0.38 0.30 1 73 SER 1.03 0.65 1 74 PHE 2.85 2.39 1 75 ALA 2.59 2.01 1 76 PHE 1.94 1.74 1 77 TYR 1.88 2.39 1 80 LEU 3.04 2.53 1 81 VAL 4.87 3.72 1 82 LEU 3.67 2.53 1 83 GLU 2.38 2.01 1 85 HIS 2.00 2.53 1 86 HIS 0.97 1.35 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18288_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -0.76 _LACS_plot.Line_1_terminator_val_y_1 0.26 _LACS_plot.Line_1_terminator_val_x_2 1.99 _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 0.72 _LACS_plot.Line_2_terminator_val_x_2 4.86 _LACS_plot.Line_2_terminator_val_y_2 -1.09 _LACS_plot.Y_axis_chem_shift_offset -0.16 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 40 HIS 1.59 0.68 0 84 HIS 2.05 0.63 0 10 LEU 0.66 0.01 1 11 ASN 0.20 0.18 1 14 LEU -0.27 0.09 1 18 THR 0.25 0.12 1 21 SER -0.36 0.34 1 23 ASP 0.14 0.01 1 24 ALA -0.76 0.43 1 25 SER -0.04 0.16 1 27 ALA -0.31 0.24 1 28 ARG 1.52 -0.29 1 29 TRP -0.63 0.29 1 31 TRP 0.10 -0.15 1 32 ARG 2.70 -0.09 1 37 ASN -0.24 -0.17 1 38 VAL 2.56 -0.78 1 39 ASN 2.37 -0.27 1 41 TYR 1.90 -0.17 1 42 ALA 2.04 -0.32 1 43 SER 1.72 -0.30 1 44 LYS 1.94 -0.50 1 45 LYS 2.90 -0.40 1 46 SER 2.41 -0.44 1 47 ALA 1.97 -0.39 1 48 ALA 2.17 -0.40 1 49 GLU 1.78 -0.03 1 50 SER 1.67 0.12 1 51 MET 1.07 0.53 1 52 LEU 0.03 0.56 1 53 ASP 0.11 -0.27 1 54 ILE 3.96 -1.34 1 55 ALA 3.70 -0.88 1 56 LEU 2.96 -0.56 1 57 LEU 3.65 -0.55 1 58 MET 3.14 -0.62 1 59 ALA 2.88 -0.74 1 60 ASN 1.38 0.41 1 61 ALA 3.14 -0.70 1 62 SER 3.81 -0.64 1 63 GLN 3.06 -0.81 1 64 LEU 3.02 -0.64 1 65 LYS 4.32 -0.77 1 66 ALA 2.90 -0.82 1 67 VAL 4.47 -1.06 1 68 VAL 4.44 -1.24 1 69 GLU 2.32 -0.43 1 70 GLN 0.38 -0.08 1 73 SER 1.03 -0.38 1 74 PHE 2.85 -0.46 1 75 ALA 2.59 -0.58 1 76 PHE 1.94 -0.20 1 77 TYR 1.88 0.51 1 80 LEU 3.04 -0.51 1 81 VAL 4.87 -1.15 1 82 LEU 3.67 -1.14 1 83 GLU 2.38 -0.37 1 85 HIS 2.00 0.53 1 86 HIS 0.97 0.38 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18288_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -0.76 _LACS_plot.Line_1_terminator_val_y_1 0.07 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.09 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.14 _LACS_plot.Line_2_terminator_val_x_2 4.86 _LACS_plot.Line_2_terminator_val_y_2 -0.27 _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 39 ASN 2.37 -0.77 0 21 SER -0.36 -0.61 0 10 LEU 0.66 0.02 1 11 ASN 0.20 0.04 1 23 ASP 0.14 -0.03 1 24 ALA -0.76 0.10 1 25 SER -0.04 -0.03 1 27 ALA -0.31 0.02 1 28 ARG 1.52 -0.19 1 29 TRP -0.63 0.02 1 31 TRP 0.10 0.01 1 32 ARG 2.70 -0.50 1 37 ASN -0.24 0.19 1 38 VAL 2.56 -0.03 1 40 HIS 1.59 -0.22 1 41 TYR 1.90 -0.14 1 42 ALA 2.04 -0.12 1 43 SER 1.72 -0.03 1 44 LYS 1.94 0.00 1 45 LYS 2.90 -0.20 1 47 ALA 1.97 -0.07 1 48 ALA 2.17 -0.11 1 49 GLU 1.78 -0.17 1 50 SER 1.67 0.08 1 51 MET 1.07 -0.32 1 52 LEU 0.03 -0.06 1 53 ASP 0.11 0.11 1 54 ILE 3.96 -0.29 1 55 ALA 3.70 -0.16 1 56 LEU 2.96 -0.14 1 57 LEU 3.65 -0.15 1 58 MET 3.14 -0.20 1 59 ALA 2.88 -0.04 1 60 ASN 1.38 0.08 1 61 ALA 3.14 -0.08 1 62 SER 3.81 -0.16 1 63 GLN 3.06 0.00 1 64 LEU 3.02 -0.13 1 65 LYS 4.32 -0.38 1 66 ALA 2.90 -0.02 1 67 VAL 4.47 -0.24 1 68 VAL 4.44 -0.26 1 69 GLU 2.32 -0.17 1 70 GLN 0.38 0.12 1 73 SER 1.03 0.09 1 74 PHE 2.85 -0.07 1 75 ALA 2.59 -0.18 1 76 PHE 1.94 -0.26 1 77 TYR 1.88 -0.20 1 80 LEU 3.04 -0.09 1 81 VAL 4.87 -0.27 1 82 LEU 3.67 -0.20 1 83 GLU 2.38 -0.18 1 84 HIS 2.05 -0.23 1 85 HIS 2.00 -0.10 1 86 HIS 0.97 -0.13 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18288_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -0.76 _LACS_plot.Line_1_terminator_val_y_1 -0.22 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.85 _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 4.86 _LACS_plot.Line_2_terminator_val_y_2 1.96 _LACS_plot.Y_axis_chem_shift_offset -0.08 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 43 SER 1.72 4.22 0 10 LEU 0.66 -0.12 1 11 ASN 0.20 0.62 1 14 LEU -0.27 -0.83 1 18 THR 0.25 -0.23 1 21 SER -0.36 0.02 1 23 ASP 0.14 -0.59 1 24 ALA -0.76 -0.55 1 25 SER -0.04 -0.50 1 27 ALA -0.31 -0.03 1 28 ARG 1.52 -0.36 1 29 TRP -0.63 0.08 1 31 TRP 0.10 0.62 1 32 ARG 2.70 1.47 1 37 ASN -0.24 0.07 1 38 VAL 2.56 0.09 1 39 ASN 2.37 1.15 1 40 HIS 1.59 1.80 1 41 TYR 1.90 0.40 1 42 ALA 2.04 0.97 1 44 LYS 1.94 0.62 1 45 LYS 2.90 0.68 1 47 ALA 1.97 1.02 1 48 ALA 2.17 0.71 1 49 GLU 1.78 1.00 1 50 SER 1.67 0.60 1 51 MET 1.07 -0.20 1 53 ASP 0.11 0.85 1 54 ILE 3.96 0.52 1 55 ALA 3.70 2.74 1 56 LEU 2.96 1.67 1 57 LEU 3.65 1.68 1 58 MET 3.14 2.16 1 59 ALA 2.88 1.79 1 60 ASN 1.38 1.29 1 61 ALA 3.14 0.75 1 62 SER 3.81 2.21 1 63 GLN 3.06 1.72 1 64 LEU 3.02 0.55 1 65 LYS 4.32 0.88 1 66 ALA 2.90 2.16 1 67 VAL 4.47 1.78 1 68 VAL 4.44 1.81 1 69 GLU 2.32 1.08 1 70 GLN 0.38 0.44 1 73 SER 1.03 0.59 1 74 PHE 2.85 0.66 1 75 ALA 2.59 0.69 1 76 PHE 1.94 0.17 1 77 TYR 1.88 0.82 1 80 LEU 3.04 1.21 1 81 VAL 4.87 1.63 1 82 LEU 3.67 1.21 1 83 GLU 2.38 1.33 1 84 HIS 2.05 1.82 1 85 HIS 2.00 1.23 1 86 HIS 0.97 1.07 1 stop_ save_