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 bmr5788_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -2.26 _LACS_plot.Line_1_terminator_val_y_1 -2.18 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.94 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.61 _LACS_plot.Line_2_terminator_val_x_2 9.10 _LACS_plot.Line_2_terminator_val_y_2 6.95 _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 27 HIS 4.21 5.59 0 11 GLU 2.76 1.75 1 12 LYS 3.75 2.89 1 13 ARG 5.10 4.21 1 14 LYS 3.75 2.52 1 15 LEU 3.33 2.50 1 16 ILE 5.29 3.96 1 17 GLN 3.53 3.77 1 18 GLN 3.90 3.39 1 20 LEU 4.46 3.25 1 21 VAL 6.50 5.10 1 23 LEU 2.96 3.62 1 24 LEU 3.71 2.50 1 25 HIS 7.57 5.59 1 26 ALA 2.77 2.49 1 28 LYS 3.38 2.52 1 30 GLN 2.04 1.90 1 31 ARG 2.86 1.60 1 32 ARG 2.12 1.60 1 33 GLU 0.52 1.00 1 34 GLN 1.29 0.78 1 35 ALA 0.17 0.26 1 36 ASN -0.03 0.03 1 38 GLU -0.97 -0.86 1 39 VAL 0.16 -0.12 1 40 ARG -1.24 -1.01 1 41 GLN -0.57 -0.71 1 43 ASN 1.09 0.77 1 44 LEU -0.39 -1.60 1 48 ARG 5.47 3.09 1 49 THR 5.39 4.01 1 50 MET 2.11 1.08 1 52 ASN 4.45 2.64 1 53 VAL 6.12 4.72 1 54 LEU 3.70 2.87 1 55 ASN 3.33 2.64 1 56 HIS 6.07 4.47 1 57 MET 2.48 3.69 1 58 THR 3.90 2.89 1 59 HIS -1.39 -0.75 1 61 GLN -0.57 -0.71 1 62 SER 2.14 1.54 1 64 LYS 3.01 2.15 1 65 SER 0.27 -0.33 1 67 GLN -0.20 -0.34 1 68 VAL 3.89 1.74 1 69 ALA 2.77 1.37 1 70 HIS 1.59 1.48 1 72 ALA 4.26 2.49 1 74 SER 6.99 5.27 1 77 ILE 5.30 5.08 1 78 ILE 4.92 3.21 1 79 SER 4.75 3.40 1 80 HIS 6.44 5.21 1 81 TRP 2.68 2.34 1 82 LYS 2.26 2.15 1 83 ASN -2.26 -0.34 1 85 THR -0.57 -1.21 1 87 HIS 3.45 2.97 1 88 ASP -0.42 -2.19 1 91 VAL 3.52 3.61 1 93 LEU 9.11 7.11 1 95 LEU -0.03 0.26 1 96 LYS 1.14 1.03 1 97 ASN -0.03 0.03 1 98 ALA 0.17 0.26 1 100 ASP -0.42 -0.33 1 101 LYS 0.39 1.03 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5788_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -2.26 _LACS_plot.Line_1_terminator_val_y_1 0.08 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.06 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.39 _LACS_plot.Line_2_terminator_val_x_2 9.10 _LACS_plot.Line_2_terminator_val_y_2 -2.15 _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 27 HIS 4.21 1.38 0 11 GLU 2.76 -1.01 1 12 LYS 3.75 -0.86 1 13 ARG 5.10 -0.89 1 14 LYS 3.75 -1.23 1 15 LEU 3.33 -0.83 1 16 ILE 5.29 -1.33 1 17 GLN 3.53 0.24 1 18 GLN 3.90 -0.51 1 20 LEU 4.46 -1.21 1 21 VAL 6.50 -1.40 1 23 LEU 2.96 0.66 1 24 LEU 3.71 -1.21 1 25 HIS 7.57 -1.98 1 26 ALA 2.77 -0.28 1 28 LYS 3.38 -0.86 1 30 GLN 2.04 -0.14 1 31 ARG 2.86 -1.26 1 32 ARG 2.12 -0.52 1 33 GLU 0.52 0.48 1 34 GLN 1.29 -0.51 1 35 ALA 0.17 0.09 1 36 ASN -0.03 0.06 1 38 GLU -0.97 0.11 1 39 VAL 0.16 -0.28 1 40 ARG -1.24 0.23 1 41 GLN -0.57 -0.14 1 43 ASN 1.09 -0.32 1 44 LEU -0.39 -1.21 1 48 ARG 5.47 -2.38 1 49 THR 5.39 -1.38 1 50 MET 2.11 -1.03 1 52 ASN 4.45 -1.81 1 53 VAL 6.12 -1.40 1 54 LEU 3.70 -0.83 1 55 ASN 3.33 -0.69 1 56 HIS 6.07 -1.60 1 57 MET 2.48 1.21 1 58 THR 3.90 -1.01 1 59 HIS -1.39 0.64 1 61 GLN -0.57 -0.14 1 62 SER 2.14 -0.60 1 64 LYS 3.01 -0.86 1 65 SER 0.27 -0.60 1 67 GLN -0.20 -0.14 1 68 VAL 3.89 -2.15 1 69 ALA 2.77 -1.40 1 70 HIS 1.59 -0.11 1 72 ALA 4.26 -1.77 1 74 SER 6.99 -1.72 1 77 ILE 5.30 -0.22 1 78 ILE 4.92 -1.71 1 79 SER 4.75 -1.35 1 80 HIS 6.44 -1.23 1 81 TRP 2.68 -0.34 1 82 LYS 2.26 -0.11 1 83 ASN -2.26 1.92 1 85 THR -0.57 -0.64 1 87 HIS 3.45 -0.48 1 88 ASP -0.42 -1.77 1 91 VAL 3.52 0.09 1 93 LEU 9.11 -2.00 1 95 LEU -0.03 0.29 1 96 LYS 1.14 -0.11 1 97 ASN -0.03 0.06 1 98 ALA 0.17 0.09 1 100 ASP -0.42 0.09 1 101 LYS 0.39 0.64 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5788_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -2.26 _LACS_plot.Line_1_terminator_val_y_1 0.18 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.20 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.13 _LACS_plot.Line_2_terminator_val_x_2 9.10 _LACS_plot.Line_2_terminator_val_y_2 -0.77 _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 93 LEU 9.11 -0.50 0 82 LYS 2.26 -0.83 0 11 GLU 2.76 -0.18 1 12 LYS 3.75 -0.37 1 13 ARG 5.10 -0.65 1 14 LYS 3.75 -0.15 1 15 LEU 3.33 -0.23 1 16 ILE 5.29 -0.74 1 17 GLN 3.53 -0.55 1 18 GLN 3.90 -0.43 1 20 LEU 4.46 -0.38 1 21 VAL 6.50 -0.82 1 23 LEU 2.96 -0.47 1 24 LEU 3.71 -0.51 1 25 HIS 7.57 -0.81 1 26 ALA 2.77 -0.32 1 27 HIS 4.21 -0.73 1 28 LYS 3.38 -0.52 1 30 GLN 2.04 -0.18 1 31 ARG 2.86 -0.25 1 32 ARG 2.12 -0.17 1 33 GLU 0.52 -0.18 1 34 GLN 1.29 -0.10 1 35 ALA 0.17 -0.02 1 36 ASN -0.03 -0.01 1 38 GLU -0.97 -0.02 1 39 VAL 0.16 -0.02 1 40 ARG -1.24 0.02 1 41 GLN -0.57 -0.09 1 43 ASN 1.09 0.08 1 44 LEU -0.39 0.16 1 48 ARG 5.47 -0.42 1 49 THR 5.39 -0.39 1 50 MET 2.11 0.03 1 52 ASN 4.45 -0.15 1 53 VAL 6.12 -0.34 1 54 LEU 3.70 -0.24 1 55 ASN 3.33 -0.21 1 56 HIS 6.07 -0.36 1 57 MET 2.48 -0.76 1 58 THR 3.90 -0.41 1 59 HIS -1.39 0.14 1 61 GLN -0.57 0.38 1 62 SER 2.14 0.05 1 64 LYS 3.01 -0.23 1 65 SER 0.27 0.09 1 67 GLN -0.20 0.20 1 68 VAL 3.89 -0.43 1 69 ALA 2.77 -0.63 1 70 HIS 1.59 -0.33 1 72 ALA 4.26 -0.13 1 74 SER 6.99 -0.41 1 77 ILE 5.30 -0.49 1 78 ILE 4.92 -0.34 1 79 SER 4.75 -0.36 1 80 HIS 6.44 -0.67 1 81 TRP 2.68 -0.38 1 83 ASN -2.26 -0.10 1 85 THR -0.57 0.09 1 87 HIS 3.45 -0.37 1 88 ASP -0.42 -0.14 1 91 VAL 3.52 -0.34 1 95 LEU -0.03 -0.05 1 96 LYS 1.14 0.01 1 97 ASN -0.03 0.02 1 98 ALA 0.17 -0.04 1 100 ASP -0.42 0.03 1 101 LYS 0.39 -0.18 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5788_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -2.26 _LACS_plot.Line_1_terminator_val_y_1 -0.88 _LACS_plot.Line_1_terminator_val_x_2 2.00 _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 -0.60 _LACS_plot.Line_2_terminator_val_x_2 7.57 _LACS_plot.Line_2_terminator_val_y_2 2.78 _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 74 SER 6.99 0.77 0 72 ALA 4.26 4.32 0 11 GLU 2.76 1.87 1 12 LYS 3.75 1.72 1 13 ARG 5.10 1.40 1 14 LYS 3.75 2.03 1 15 LEU 3.33 3.05 1 16 ILE 5.29 0.83 1 17 GLN 3.53 1.77 1 18 GLN 3.90 1.07 1 20 LEU 4.46 -0.45 1 21 VAL 6.50 1.24 1 23 LEU 2.96 0.87 1 24 LEU 3.71 1.96 1 25 HIS 7.57 2.04 1 26 ALA 2.77 0.98 1 27 HIS 4.21 3.49 1 28 LYS 3.38 1.56 1 30 GLN 2.04 1.46 1 31 ARG 2.86 1.94 1 32 ARG 2.12 1.32 1 33 GLU 0.52 1.25 1 34 GLN 1.29 0.84 1 35 ALA 0.17 0.13 1 36 ASN -0.03 0.48 1 38 GLU -0.97 -0.53 1 39 VAL 0.16 -0.31 1 40 ARG -1.24 -0.55 1 41 GLN -0.57 -0.87 1 48 ARG 5.47 2.17 1 50 MET 2.11 2.33 1 52 ASN 4.45 3.97 1 53 VAL 6.12 1.50 1 54 LEU 3.70 2.19 1 55 ASN 3.33 2.89 1 56 HIS 6.07 3.44 1 57 MET 2.48 1.79 1 58 THR 3.90 0.05 1 59 HIS -1.39 -0.91 1 61 GLN -0.57 0.76 1 62 SER 2.14 -0.01 1 64 LYS 3.01 -0.10 1 65 SER 0.27 -0.86 1 67 GLN -0.20 -0.17 1 68 VAL 3.89 0.62 1 70 HIS 1.59 1.65 1 77 ILE 5.30 1.06 1 78 ILE 4.92 1.22 1 79 SER 4.75 2.16 1 80 HIS 6.44 3.29 1 81 TRP 2.68 1.99 1 82 LYS 2.26 0.63 1 83 ASN -2.26 -1.23 1 87 HIS 3.45 0.32 1 88 ASP -0.42 -1.32 1 91 VAL 3.52 0.23 1 95 LEU -0.03 0.02 1 96 LYS 1.14 0.71 1 97 ASN -0.03 0.31 1 98 ALA 0.17 0.13 1 100 ASP -0.42 -1.09 1 stop_ save_