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 bmr11342_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.96 _LACS_plot.Line_1_terminator_val_y_1 -3.15 _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 -1.01 _LACS_plot.Line_2_terminator_val_x_2 6.87 _LACS_plot.Line_2_terminator_val_y_2 4.90 _LACS_plot.Y_axis_chem_shift_offset -0.27 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 22 ARG 6.87 2.24 0 50 HIS 1.16 4.17 0 53 HIS 3.78 5.60 0 52 PHE -7.96 -1.92 0 10 SER -0.36 -0.27 1 11 TRP -0.38 -0.23 1 12 ASP 0.32 0.20 1 13 VAL -0.43 -0.25 1 14 GLU -0.26 0.07 1 16 ASP 0.78 0.40 1 17 THR -0.81 0.22 1 19 ALA 1.22 1.72 1 20 ILE 3.64 3.34 1 23 VAL -0.57 -0.20 1 24 GLN 2.63 2.26 1 25 VAL 3.68 2.55 1 26 MET 1.58 -0.05 1 27 ASP -2.72 -1.55 1 28 ALA -1.36 -0.81 1 30 LEU 4.07 3.17 1 31 ARG 4.85 3.59 1 33 GLN 4.43 3.88 1 34 ALA 2.93 2.27 1 35 GLU -1.57 -1.04 1 36 ASN 3.30 1.52 1 37 LYS -1.31 -1.31 1 38 GLN 6.54 5.02 1 39 GLU 2.76 1.99 1 40 ASP -0.95 -0.06 1 42 VAL -4.31 -2.05 1 43 VAL -0.12 0.32 1 44 VAL -6.21 -2.93 1 45 TRP -3.70 -0.29 1 47 GLU 2.90 2.70 1 49 ASN 4.00 2.40 1 51 SER -5.36 -3.43 1 54 ASN 4.21 4.78 1 57 MET 2.55 0.46 1 58 SER 4.70 3.73 1 59 LEU 2.27 1.81 1 60 TRP 2.79 3.42 1 61 VAL 2.15 0.84 1 62 LYS 3.13 2.21 1 63 GLN -1.59 -0.28 1 64 ASN -2.01 -0.11 1 65 ASN 0.25 -0.15 1 66 ARG -4.36 -1.51 1 69 LEU 0.08 0.87 1 71 GLN 5.72 2.33 1 72 GLN -0.09 0.67 1 73 ASP 2.92 2.19 1 74 TRP 0.40 0.06 1 75 VAL -3.95 -1.25 1 76 VAL 3.44 2.81 1 77 GLN -0.57 0.91 1 78 ARG -2.50 -0.44 1 79 ILE -3.85 -1.31 1 81 LYS 0.23 1.74 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11342_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.96 _LACS_plot.Line_1_terminator_val_y_1 4.81 _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 0.99 _LACS_plot.Line_2_terminator_val_x_2 6.87 _LACS_plot.Line_2_terminator_val_y_2 -1.97 _LACS_plot.Y_axis_chem_shift_offset -0.27 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 22 ARG 6.87 -4.63 0 50 HIS 1.16 3.01 0 53 HIS 3.78 1.82 0 52 PHE -7.96 6.04 0 10 SER -0.36 0.09 1 11 TRP -0.38 0.15 1 12 ASP 0.32 -0.12 1 13 VAL -0.43 0.18 1 14 GLU -0.26 0.33 1 16 ASP 0.78 -0.38 1 17 THR -0.81 1.03 1 19 ALA 1.22 0.50 1 20 ILE 3.64 -0.30 1 23 VAL -0.57 0.37 1 24 GLN 2.63 -0.37 1 25 VAL 3.68 -1.13 1 26 MET 1.58 -1.63 1 27 ASP -2.72 1.17 1 28 ALA -1.36 0.55 1 30 LEU 4.07 -0.90 1 31 ARG 4.85 -1.26 1 33 GLN 4.43 -0.55 1 34 ALA 2.93 -0.66 1 35 GLU -1.57 0.53 1 36 ASN 3.30 -1.78 1 37 LYS -1.31 0.00 1 38 GLN 6.54 -1.52 1 39 GLU 2.76 -0.77 1 40 ASP -0.95 0.89 1 42 VAL -4.31 2.26 1 43 VAL -0.12 0.44 1 44 VAL -6.21 3.28 1 45 TRP -3.70 3.41 1 47 GLU 2.90 -0.20 1 49 ASN 4.00 -1.60 1 51 SER -5.36 1.93 1 54 ASN 4.21 0.57 1 57 MET 2.55 -2.09 1 58 SER 4.70 -0.97 1 59 LEU 2.27 -0.46 1 60 TRP 2.79 0.63 1 61 VAL 2.15 -1.31 1 62 LYS 3.13 -0.92 1 63 GLN -1.59 1.31 1 64 ASN -2.01 1.90 1 65 ASN 0.25 -0.40 1 66 ARG -4.36 2.85 1 69 LEU 0.08 0.79 1 71 GLN 5.72 -3.39 1 72 GLN -0.09 0.76 1 73 ASP 2.92 -0.73 1 74 TRP 0.40 -0.34 1 75 VAL -3.95 2.70 1 76 VAL 3.44 -0.63 1 77 GLN -0.57 1.48 1 78 ARG -2.50 2.06 1 79 ILE -3.85 2.54 1 81 LYS 0.23 1.51 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11342_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.96 _LACS_plot.Line_1_terminator_val_y_1 0.96 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.14 _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 6.87 _LACS_plot.Line_2_terminator_val_y_2 -0.63 _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 52 PHE -7.96 0.01 0 10 SER -0.36 -0.15 1 11 TRP -0.38 -0.08 1 12 ASP 0.32 -0.07 1 13 VAL -0.43 0.01 1 14 GLU -0.26 -0.03 1 16 ASP 0.78 -0.07 1 17 THR -0.81 -0.17 1 19 ALA 1.22 -0.28 1 20 ILE 3.64 -0.43 1 22 ARG 6.87 -0.59 1 23 VAL -0.57 0.19 1 24 GLN 2.63 -0.13 1 25 VAL 3.68 -1.05 1 26 MET 1.58 -0.10 1 27 ASP -2.72 0.21 1 28 ALA -1.36 0.29 1 30 LEU 4.07 -0.55 1 31 ARG 4.85 -0.25 1 33 GLN 4.43 -0.39 1 34 ALA 2.93 -0.20 1 35 GLU -1.57 -0.03 1 36 ASN 3.30 -0.11 1 37 LYS -1.31 0.47 1 38 GLN 6.54 -0.70 1 39 GLU 2.76 -0.27 1 40 ASP -0.95 0.07 1 42 VAL -4.31 0.85 1 43 VAL -0.12 0.14 1 44 VAL -6.21 1.27 1 45 TRP -3.70 0.60 1 47 GLU 2.90 -0.36 1 49 ASN 4.00 -0.32 1 50 HIS 1.16 0.05 1 51 SER -5.36 1.00 1 53 HIS 3.78 -0.07 1 54 ASN 4.21 -0.20 1 57 MET 2.55 -0.17 1 58 SER 4.70 -0.30 1 59 LEU 2.27 -0.09 1 60 TRP 2.79 -0.53 1 61 VAL 2.15 0.46 1 62 LYS 3.13 -0.25 1 63 GLN -1.59 0.08 1 64 ASN -2.01 -0.20 1 65 ASN 0.25 0.22 1 66 ARG -4.36 0.64 1 69 LEU 0.08 -0.04 1 71 GLN 5.72 -0.22 1 72 GLN -0.09 0.12 1 73 ASP 2.92 -0.16 1 74 TRP 0.40 0.16 1 75 VAL -3.95 -0.34 1 76 VAL 3.44 -0.92 1 77 GLN -0.57 0.07 1 78 ARG -2.50 0.29 1 79 ILE -3.85 1.22 1 81 LYS 0.23 0.06 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11342_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.96 _LACS_plot.Line_1_terminator_val_y_1 -2.88 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.39 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.99 _LACS_plot.Line_2_terminator_val_x_2 6.87 _LACS_plot.Line_2_terminator_val_y_2 2.06 _LACS_plot.Y_axis_chem_shift_offset 0.28 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 22 ARG 6.87 -1.64 0 52 PHE -7.96 -0.07 0 81 LYS 0.23 4.64 0 10 SER -0.36 -0.85 1 11 TRP -0.38 -0.50 1 12 ASP 0.32 -0.35 1 13 VAL -0.43 -0.28 1 14 GLU -0.26 0.30 1 16 ASP 0.78 -0.05 1 17 THR -0.81 -1.46 1 19 ALA 1.22 -0.23 1 20 ILE 3.64 0.08 1 23 VAL -0.57 -0.14 1 24 GLN 2.63 1.50 1 25 VAL 3.68 -2.12 1 26 MET 1.58 0.55 1 27 ASP -2.72 -1.16 1 28 ALA -1.36 -1.11 1 30 LEU 4.07 2.72 1 31 ARG 4.85 2.23 1 33 GLN 4.43 2.97 1 34 ALA 2.93 1.63 1 35 GLU -1.57 -1.35 1 36 ASN 3.30 0.12 1 37 LYS -1.31 0.44 1 38 GLN 6.54 2.10 1 39 GLU 2.76 0.11 1 40 ASP -0.95 -1.52 1 42 VAL -4.31 -0.63 1 43 VAL -0.12 -2.33 1 44 VAL -6.21 -3.87 1 45 TRP -3.70 1.17 1 47 GLU 2.90 0.04 1 49 ASN 4.00 -1.04 1 50 HIS 1.16 -1.10 1 51 SER -5.36 -2.66 1 53 HIS 3.78 3.35 1 54 ASN 4.21 3.34 1 57 MET 2.55 1.16 1 58 SER 4.70 1.26 1 59 LEU 2.27 1.64 1 60 TRP 2.79 3.26 1 61 VAL 2.15 0.95 1 62 LYS 3.13 1.02 1 63 GLN -1.59 -1.07 1 64 ASN -2.01 -2.07 1 65 ASN 0.25 -0.07 1 66 ARG -4.36 -1.45 1 69 LEU 0.08 0.04 1 71 GLN 5.72 -1.32 1 72 GLN -0.09 -0.02 1 73 ASP 2.92 0.13 1 74 TRP 0.40 -1.10 1 75 VAL -3.95 -1.89 1 76 VAL 3.44 -0.54 1 77 GLN -0.57 -0.66 1 78 ARG -2.50 -3.52 1 79 ILE -3.85 -0.10 1 stop_ save_