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 bmr18880_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -4.42 _LACS_plot.Line_1_terminator_val_y_1 -1.94 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.08 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.32 _LACS_plot.Line_2_terminator_val_x_2 6.31 _LACS_plot.Line_2_terminator_val_y_2 4.98 _LACS_plot.Y_axis_chem_shift_offset -0.17 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 77 PHE -4.42 -0.52 0 58 MET -3.76 0.16 0 11 SER -0.27 0.05 1 12 SER 0.29 0.38 1 14 LEU -0.10 0.10 1 15 VAL -0.25 -0.08 1 17 ARG 0.21 0.36 1 19 SER 0.28 0.31 1 20 HIS 0.42 1.13 1 21 MET -0.18 0.09 1 22 SER -0.12 0.11 1 23 ASP 1.23 1.13 1 24 GLU 1.91 1.76 1 25 LYS 2.52 1.91 1 26 THR 3.51 2.82 1 27 GLN 2.16 1.85 1 28 LEU 2.11 1.98 1 29 ILE 2.72 2.20 1 30 GLU 1.80 1.49 1 31 ALA 1.77 1.30 1 32 PHE 1.49 1.64 1 33 TYR 1.28 1.02 1 34 ASN -0.03 0.05 1 35 PHE 0.80 0.62 1 36 ASP -0.35 -0.13 1 38 ASP -0.29 0.06 1 39 TYR -0.07 0.30 1 40 ASP -0.40 0.02 1 42 PHE -2.11 -0.54 1 43 VAL -1.56 -1.58 1 44 SER -0.47 -0.58 1 45 VAL 5.52 4.07 1 46 GLU 3.70 2.96 1 47 GLU 2.37 2.29 1 48 PHE 3.51 3.17 1 49 ARG 4.83 4.07 1 51 ILE 3.23 2.74 1 52 ILE 3.43 2.66 1 53 ARG 5.43 4.11 1 54 ASP 1.34 1.34 1 56 LEU -2.03 -0.61 1 59 THR -2.28 -1.02 1 60 GLU 4.07 3.22 1 61 ALA 3.48 2.59 1 62 GLU 1.98 2.39 1 63 ILE 5.61 4.79 1 64 THR 6.31 5.26 1 65 GLU 3.03 2.90 1 66 PHE 4.57 3.50 1 67 PHE 4.85 3.50 1 68 GLU 3.17 2.64 1 69 ALA 1.42 1.10 1 70 ALA 0.08 0.59 1 71 ASP -0.06 -0.05 1 73 ASN 0.26 -0.26 1 74 ASN 3.23 1.49 1 75 THR 0.87 1.61 1 78 ILE -4.29 -1.91 1 79 ASP -1.16 -0.89 1 80 TYR 3.59 3.68 1 81 LYS 4.72 3.38 1 82 ALA 2.58 2.02 1 83 PHE 2.41 2.33 1 84 ALA 3.50 2.53 1 85 ALA 2.68 1.87 1 86 MET 2.16 1.98 1 87 LEU 1.31 1.19 1 88 TYR 0.10 -0.06 1 89 SER -0.14 0.05 1 90 VAL 0.13 0.07 1 91 ASP -0.03 0.31 1 92 GLU -3.06 -0.11 1 93 SER 1.50 2.03 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18880_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -4.42 _LACS_plot.Line_1_terminator_val_y_1 2.48 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.92 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.68 _LACS_plot.Line_2_terminator_val_x_2 6.31 _LACS_plot.Line_2_terminator_val_y_2 -1.33 _LACS_plot.Y_axis_chem_shift_offset -0.17 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 77 PHE -4.42 3.90 0 58 MET -3.76 3.92 0 11 SER -0.27 0.32 1 12 SER 0.29 0.09 1 14 LEU -0.10 0.20 1 15 VAL -0.25 0.17 1 17 ARG 0.21 0.15 1 19 SER 0.28 0.03 1 20 HIS 0.42 0.71 1 21 MET -0.18 0.27 1 22 SER -0.12 0.23 1 23 ASP 1.23 -0.10 1 24 GLU 1.91 -0.15 1 25 LYS 2.52 -0.61 1 26 THR 3.51 -0.69 1 27 GLN 2.16 -0.31 1 28 LEU 2.11 -0.13 1 29 ILE 2.72 -0.52 1 30 GLU 1.80 -0.31 1 31 ALA 1.77 -0.47 1 32 PHE 1.49 0.15 1 33 TYR 1.28 -0.26 1 34 ASN -0.03 0.08 1 35 PHE 0.80 -0.18 1 36 ASP -0.35 0.22 1 38 ASP -0.29 0.35 1 39 TYR -0.07 0.37 1 40 ASP -0.40 0.42 1 42 PHE -2.11 1.57 1 43 VAL -1.56 -0.02 1 44 SER -0.47 -0.11 1 45 VAL 5.52 -1.45 1 46 GLU 3.70 -0.74 1 47 GLU 2.37 -0.08 1 48 PHE 3.51 -0.34 1 49 ARG 4.83 -0.76 1 51 ILE 3.23 -0.49 1 52 ILE 3.43 -0.77 1 53 ARG 5.43 -1.32 1 54 ASP 1.34 0.00 1 56 LEU -2.03 1.42 1 59 THR -2.28 1.26 1 60 GLU 4.07 -0.85 1 61 ALA 3.48 -0.89 1 62 GLU 1.98 0.41 1 63 ILE 5.61 -0.82 1 64 THR 6.31 -1.05 1 65 GLU 3.03 -0.13 1 66 PHE 4.57 -1.07 1 67 PHE 4.85 -1.35 1 68 GLU 3.17 -0.53 1 69 ALA 1.42 -0.32 1 70 ALA 0.08 0.51 1 71 ASP -0.06 0.01 1 73 ASN 0.26 -0.52 1 74 ASN 3.23 -1.74 1 75 THR 0.87 0.74 1 78 ILE -4.29 2.38 1 79 ASP -1.16 0.27 1 80 TYR 3.59 0.09 1 81 LYS 4.72 -1.34 1 82 ALA 2.58 -0.56 1 83 PHE 2.41 -0.08 1 84 ALA 3.50 -0.97 1 85 ALA 2.68 -0.81 1 86 MET 2.16 -0.18 1 87 LEU 1.31 -0.12 1 88 TYR 0.10 -0.16 1 89 SER -0.14 0.19 1 90 VAL 0.13 -0.06 1 91 ASP -0.03 0.34 1 92 GLU -3.06 2.95 1 93 SER 1.50 0.53 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18880_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -4.42 _LACS_plot.Line_1_terminator_val_y_1 0.30 _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 0.09 _LACS_plot.Line_2_terminator_val_x_2 6.31 _LACS_plot.Line_2_terminator_val_y_2 -0.57 _LACS_plot.Y_axis_chem_shift_offset 0.07 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 43 VAL -1.56 0.55 0 42 PHE -2.11 0.64 0 11 SER -0.27 -0.04 1 12 SER 0.29 -0.03 1 14 LEU -0.10 0.00 1 15 VAL -0.25 -0.07 1 17 ARG 0.21 -0.06 1 19 SER 0.28 -0.07 1 20 HIS 0.42 -0.12 1 21 MET -0.18 -0.01 1 22 SER -0.12 -0.04 1 23 ASP 1.23 -0.09 1 24 GLU 1.91 -0.21 1 25 LYS 2.52 -0.13 1 26 THR 3.51 -0.31 1 27 GLN 2.16 -0.15 1 28 LEU 2.11 -0.17 1 29 ILE 2.72 -0.27 1 30 GLU 1.80 -0.30 1 31 ALA 1.77 -0.17 1 32 PHE 1.49 -0.32 1 33 TYR 1.28 -0.22 1 34 ASN -0.03 -0.11 1 35 PHE 0.80 -0.17 1 36 ASP -0.35 -0.05 1 38 ASP -0.29 -0.04 1 39 TYR -0.07 -0.16 1 40 ASP -0.40 -0.04 1 44 SER -0.47 0.10 1 45 VAL 5.52 -0.62 1 46 GLU 3.70 -0.37 1 47 GLU 2.37 -0.27 1 48 PHE 3.51 -0.43 1 49 ARG 4.83 -0.48 1 51 ILE 3.23 -0.34 1 52 ILE 3.43 -0.43 1 53 ARG 5.43 -0.25 1 54 ASP 1.34 -0.04 1 56 LEU -2.03 0.09 1 58 MET -3.76 0.15 1 59 THR -2.28 0.10 1 60 GLU 4.07 -0.34 1 61 ALA 3.48 -0.18 1 62 GLU 1.98 -0.35 1 63 ILE 5.61 -0.60 1 64 THR 6.31 -0.41 1 65 GLU 3.03 -0.32 1 66 PHE 4.57 -0.38 1 67 PHE 4.85 -0.67 1 68 GLU 3.17 -0.34 1 69 ALA 1.42 -0.14 1 70 ALA 0.08 -0.30 1 71 ASP -0.06 0.29 1 73 ASN 0.26 0.14 1 74 ASN 3.23 -0.38 1 75 THR 0.87 -0.14 1 77 PHE -4.42 0.53 1 78 ILE -4.29 0.22 1 79 ASP -1.16 -0.14 1 80 TYR 3.59 -0.56 1 81 LYS 4.72 -0.42 1 82 ALA 2.58 -0.19 1 83 PHE 2.41 -0.33 1 84 ALA 3.50 -0.66 1 85 ALA 2.68 -0.24 1 86 MET 2.16 -0.32 1 87 LEU 1.31 -0.37 1 88 TYR 0.10 0.04 1 89 SER -0.14 -0.03 1 90 VAL 0.13 0.02 1 91 ASP -0.03 -0.01 1 92 GLU -3.06 0.01 1 93 SER 1.50 -0.26 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18880_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -4.29 _LACS_plot.Line_1_terminator_val_y_1 -1.35 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.77 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.56 _LACS_plot.Line_2_terminator_val_x_2 6.31 _LACS_plot.Line_2_terminator_val_y_2 2.18 _LACS_plot.Y_axis_chem_shift_offset -0.10 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 62 GLU 1.98 3.09 0 11 SER -0.27 0.03 1 12 SER 0.29 0.28 1 14 LEU -0.10 -0.67 1 17 ARG 0.21 0.64 1 19 SER 0.28 -0.22 1 20 HIS 0.42 0.77 1 21 MET -0.18 -0.27 1 22 SER -0.12 0.03 1 23 ASP 1.23 0.56 1 24 GLU 1.91 0.94 1 25 LYS 2.52 0.89 1 26 THR 3.51 0.73 1 27 GLN 2.16 1.28 1 28 LEU 2.11 0.15 1 29 ILE 2.72 0.74 1 30 GLU 1.80 0.96 1 31 ALA 1.77 0.75 1 32 PHE 1.49 0.41 1 33 TYR 1.28 -0.22 1 34 ASN -0.03 -0.39 1 35 PHE 0.80 -0.49 1 36 ASP -0.35 -0.15 1 39 TYR -0.07 -0.61 1 40 ASP -0.40 -0.33 1 42 PHE -2.11 -0.14 1 43 VAL -1.56 -1.19 1 44 SER -0.47 1.06 1 45 VAL 5.52 0.94 1 46 GLU 3.70 2.86 1 47 GLU 2.37 2.57 1 48 PHE 3.51 1.12 1 49 ARG 4.83 1.79 1 51 ILE 3.23 1.90 1 53 ARG 5.43 1.08 1 54 ASP 1.34 0.63 1 58 MET -3.76 -0.15 1 59 THR -2.28 0.47 1 60 GLU 4.07 2.41 1 61 ALA 3.48 2.55 1 63 ILE 5.61 0.86 1 64 THR 6.31 1.82 1 65 GLU 3.03 -0.77 1 66 PHE 4.57 1.53 1 67 PHE 4.85 2.29 1 68 GLU 3.17 1.31 1 69 ALA 1.42 1.23 1 70 ALA 0.08 -0.98 1 73 ASN 0.26 -0.32 1 78 ILE -4.29 -1.63 1 79 ASP -1.16 0.19 1 80 TYR 3.59 1.24 1 81 LYS 4.72 2.49 1 82 ALA 2.58 1.94 1 83 PHE 2.41 0.66 1 84 ALA 3.50 1.21 1 85 ALA 2.68 1.77 1 86 MET 2.16 1.06 1 87 LEU 1.31 -0.18 1 88 TYR 0.10 -0.03 1 89 SER -0.14 -0.14 1 90 VAL 0.13 -0.58 1 91 ASP -0.03 -0.30 1 92 GLU -3.06 -0.94 1 stop_ save_