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 bmr5306_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.04 _LACS_plot.Line_1_terminator_val_y_1 -4.91 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.19 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.81 _LACS_plot.Line_2_terminator_val_x_2 8.91 _LACS_plot.Line_2_terminator_val_y_2 6.92 _LACS_plot.Y_axis_chem_shift_offset 0.18 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 28 LYS 8.25 2.43 0 11 GLU 2.99 2.03 1 12 LYS 3.15 1.80 1 13 ARG 5.52 4.50 1 14 LYS 4.40 3.05 1 15 LEU 3.87 3.22 1 16 ILE 5.82 4.40 1 17 GLN 4.02 3.87 1 18 GLN 3.70 2.62 1 19 GLN 6.20 4.18 1 20 LEU 4.80 3.22 1 21 VAL 6.02 4.87 1 22 LEU 1.78 2.38 1 23 LEU 3.55 3.84 1 24 LEU 4.28 3.32 1 25 HIS 6.81 5.19 1 26 ALA 3.16 2.69 1 27 HIS 1.50 3.63 1 30 GLN 2.62 1.99 1 31 ARG 3.33 2.00 1 32 ARG 2.40 1.69 1 33 GLU 1.42 1.09 1 34 GLN 1.51 0.74 1 35 ALA 0.66 0.50 1 36 ASN 0.17 -0.10 1 38 GLU -1.07 -0.78 1 39 VAL -7.04 -7.56 1 40 ARG -0.42 -0.50 1 41 GLN -0.05 -0.20 1 43 ASN -1.07 -0.72 1 44 LEU -0.20 -1.16 1 48 ARG 5.83 3.25 1 49 THR 5.50 4.33 1 50 MET 2.50 1.35 1 51 LYS 5.34 4.93 1 52 ASN 4.55 2.72 1 53 VAL 7.19 6.04 1 54 LEU 4.49 3.84 1 55 ASN 3.93 2.72 1 56 HIS 5.87 4.25 1 57 MET -3.06 -2.02 1 58 THR 4.25 3.08 1 59 HIS -0.37 -0.12 1 61 GLN -0.36 -0.51 1 62 SER 2.38 1.58 1 64 LYS 3.78 2.43 1 65 SER 0.50 -0.30 1 67 GLN -0.05 -0.51 1 68 VAL 4.13 2.05 1 69 ALA 3.16 1.44 1 70 HIS 1.82 2.07 1 72 ALA 4.10 2.69 1 73 SER 3.63 1.58 1 74 SER 6.75 5.33 1 75 ARG 4.90 4.50 1 76 GLN 5.79 3.24 1 77 ILE 5.82 5.65 1 78 ILE 5.51 4.40 1 79 SER 5.50 4.70 1 80 HIS 7.43 5.50 1 81 TRP 2.41 2.38 1 82 LYS 2.21 1.49 1 83 ASN -2.32 0.22 1 85 THR -0.75 -1.30 1 87 HIS 3.06 2.69 1 88 ASP -0.91 -2.76 1 91 VAL 3.83 3.93 1 93 LEU 8.92 6.47 1 95 LEU 0.73 0.40 1 96 LYS 0.65 0.55 1 97 ASN 0.17 -0.10 1 98 ALA 0.66 0.50 1 100 ASP 0.33 0.05 1 101 LYS 0.65 1.18 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5306_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.04 _LACS_plot.Line_1_terminator_val_y_1 2.13 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.81 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.19 _LACS_plot.Line_2_terminator_val_x_2 8.91 _LACS_plot.Line_2_terminator_val_y_2 -1.99 _LACS_plot.Y_axis_chem_shift_offset 0.18 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 28 LYS 8.25 -5.82 0 11 GLU 2.99 -0.96 1 12 LYS 3.15 -1.35 1 13 ARG 5.52 -1.02 1 14 LYS 4.40 -1.35 1 15 LEU 3.87 -0.65 1 16 ILE 5.82 -1.42 1 17 GLN 4.02 -0.15 1 18 GLN 3.70 -1.08 1 19 GLN 6.20 -2.02 1 20 LEU 4.80 -1.58 1 21 VAL 6.02 -1.15 1 22 LEU 1.78 0.60 1 23 LEU 3.55 0.29 1 24 LEU 4.28 -0.96 1 25 HIS 6.81 -1.62 1 26 ALA 3.16 -0.47 1 27 HIS 1.50 2.13 1 30 GLN 2.62 -0.63 1 31 ARG 3.33 -1.33 1 32 ARG 2.40 -0.71 1 33 GLU 1.42 -0.33 1 34 GLN 1.51 -0.77 1 35 ALA 0.66 -0.16 1 36 ASN 0.17 -0.27 1 38 GLU -1.07 0.29 1 39 VAL -7.04 -0.52 1 40 ARG -0.42 -0.08 1 41 GLN -0.05 -0.15 1 43 ASN -1.07 0.35 1 44 LEU -0.20 -0.96 1 48 ARG 5.83 -2.58 1 49 THR 5.50 -1.17 1 50 MET 2.50 -1.15 1 51 LYS 5.34 -0.41 1 52 ASN 4.55 -1.83 1 53 VAL 7.19 -1.15 1 54 LEU 4.49 -0.65 1 55 ASN 3.93 -1.21 1 56 HIS 5.87 -1.62 1 57 MET -3.06 1.04 1 58 THR 4.25 -1.17 1 59 HIS -0.37 0.25 1 61 GLN -0.36 -0.15 1 62 SER 2.38 -0.80 1 64 LYS 3.78 -1.35 1 65 SER 0.50 -0.80 1 67 GLN -0.05 -0.46 1 68 VAL 4.13 -2.08 1 69 ALA 3.16 -1.72 1 70 HIS 1.82 0.25 1 72 ALA 4.10 -1.41 1 73 SER 3.63 -2.05 1 74 SER 6.75 -1.42 1 75 ARG 4.90 -0.40 1 76 GLN 5.79 -2.55 1 77 ILE 5.82 -0.17 1 78 ILE 5.51 -1.11 1 79 SER 5.50 -0.80 1 80 HIS 7.43 -1.93 1 81 TRP 2.41 -0.03 1 82 LYS 2.21 -0.72 1 83 ASN -2.32 2.54 1 85 THR -0.75 -0.55 1 87 HIS 3.06 -0.37 1 88 ASP -0.91 -1.85 1 91 VAL 3.83 0.10 1 93 LEU 8.92 -2.45 1 95 LEU 0.73 -0.33 1 96 LYS 0.65 -0.10 1 97 ASN 0.17 -0.27 1 98 ALA 0.66 -0.16 1 100 ASP 0.33 -0.28 1 101 LYS 0.65 0.53 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5306_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.04 _LACS_plot.Line_1_terminator_val_y_1 0.59 _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 0.13 _LACS_plot.Line_2_terminator_val_x_2 8.91 _LACS_plot.Line_2_terminator_val_y_2 -0.74 _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 57 MET -3.06 -0.68 0 11 GLU 2.99 -0.21 1 12 LYS 3.15 -0.34 1 13 ARG 5.52 -0.69 1 14 LYS 4.40 -0.18 1 15 LEU 3.87 -0.26 1 16 ILE 5.82 -0.79 1 17 GLN 4.02 -0.54 1 18 GLN 3.70 -0.39 1 19 GLN 6.20 -0.54 1 20 LEU 4.80 -0.39 1 21 VAL 6.02 -0.68 1 22 LEU 1.78 -0.24 1 23 LEU 3.55 -0.48 1 24 LEU 4.28 -0.47 1 25 HIS 6.81 -0.63 1 26 ALA 3.16 -0.33 1 27 HIS 1.50 -0.35 1 28 LYS 8.25 -0.58 1 30 GLN 2.62 -0.18 1 31 ARG 3.33 -0.30 1 32 ARG 2.40 -0.20 1 33 GLU 1.42 -0.19 1 34 GLN 1.51 -0.12 1 35 ALA 0.66 -0.04 1 36 ASN 0.17 -0.04 1 38 GLU -1.07 -0.05 1 39 VAL -7.04 -0.03 1 40 ARG -0.42 0.00 1 41 GLN -0.05 -0.11 1 43 ASN -1.07 0.18 1 44 LEU -0.20 0.05 1 48 ARG 5.83 -0.43 1 49 THR 5.50 -0.39 1 50 MET 2.50 0.04 1 51 LYS 5.34 -0.45 1 52 ASN 4.55 -0.18 1 53 VAL 7.19 -0.37 1 54 LEU 4.49 -0.43 1 55 ASN 3.93 -0.28 1 56 HIS 5.87 -0.33 1 58 THR 4.25 -0.66 1 59 HIS -0.37 0.07 1 61 GLN -0.36 0.43 1 62 SER 2.38 0.02 1 64 LYS 3.78 -0.20 1 65 SER 0.50 -0.01 1 67 GLN -0.05 0.10 1 68 VAL 4.13 -0.53 1 69 ALA 3.16 -0.63 1 70 HIS 1.82 -0.32 1 72 ALA 4.10 0.00 1 73 SER 3.63 -0.40 1 74 SER 6.75 -0.50 1 75 ARG 4.90 -0.65 1 76 GLN 5.79 -0.48 1 77 ILE 5.82 -0.63 1 78 ILE 5.51 -0.51 1 79 SER 5.50 -0.24 1 80 HIS 7.43 -0.75 1 81 TRP 2.41 -0.20 1 82 LYS 2.21 -0.55 1 83 ASN -2.32 -0.18 1 85 THR -0.75 0.16 1 87 HIS 3.06 -0.33 1 88 ASP -0.91 -0.12 1 91 VAL 3.83 -0.39 1 93 LEU 8.92 -0.45 1 95 LEU 0.73 0.00 1 96 LYS 0.65 0.07 1 97 ASN 0.17 -0.01 1 98 ALA 0.66 0.00 1 100 ASP 0.33 -0.01 1 101 LYS 0.65 -0.15 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5306_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.04 _LACS_plot.Line_1_terminator_val_y_1 -1.62 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.93 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.06 _LACS_plot.Line_2_terminator_val_x_2 8.91 _LACS_plot.Line_2_terminator_val_y_2 2.47 _LACS_plot.Y_axis_chem_shift_offset -0.38 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 101 LYS 0.65 4.76 0 39 VAL -7.04 -0.42 0 11 GLU 2.99 2.82 1 12 LYS 3.15 2.26 1 13 ARG 5.52 1.18 1 14 LYS 4.40 2.28 1 15 LEU 3.87 2.75 1 16 ILE 5.82 0.42 1 17 GLN 4.02 1.56 1 18 GLN 3.70 2.17 1 19 GLN 6.20 1.35 1 20 LEU 4.80 -0.12 1 21 VAL 6.02 3.13 1 22 LEU 1.78 1.15 1 23 LEU 3.55 0.35 1 24 LEU 4.28 2.57 1 25 HIS 6.81 2.56 1 26 ALA 3.16 1.11 1 27 HIS 1.50 2.91 1 28 LYS 8.25 1.18 1 30 GLN 2.62 1.37 1 31 ARG 3.33 2.03 1 32 ARG 2.40 1.33 1 33 GLU 1.42 1.27 1 34 GLN 1.51 0.85 1 35 ALA 0.66 0.12 1 36 ASN 0.17 0.42 1 38 GLU -1.07 -0.52 1 40 ARG -0.42 -0.58 1 41 GLN -0.05 -0.86 1 43 ASN -1.07 1.40 1 48 ARG 5.83 2.46 1 49 THR 5.50 1.86 1 50 MET 2.50 2.41 1 51 LYS 5.34 2.29 1 52 ASN 4.55 3.99 1 53 VAL 7.19 1.51 1 54 LEU 4.49 1.15 1 55 ASN 3.93 2.36 1 56 HIS 5.87 3.62 1 57 MET -3.06 2.58 1 58 THR 4.25 -0.63 1 59 HIS -0.37 -1.12 1 61 GLN -0.36 0.68 1 62 SER 2.38 -0.20 1 64 LYS 3.78 -0.20 1 65 SER 0.50 -0.89 1 67 GLN -0.05 0.28 1 68 VAL 4.13 0.77 1 69 ALA 3.16 -0.59 1 70 HIS 1.82 1.82 1 72 ALA 4.10 4.35 1 73 SER 3.63 2.27 1 74 SER 6.75 0.52 1 75 ARG 4.90 4.27 1 76 GLN 5.79 1.79 1 77 ILE 5.82 1.41 1 78 ILE 5.51 1.19 1 79 SER 5.50 1.43 1 80 HIS 7.43 1.60 1 81 TRP 2.41 1.52 1 82 LYS 2.21 0.03 1 83 ASN -2.32 -1.82 1 87 HIS 3.06 0.53 1 88 ASP -0.91 -1.06 1 91 VAL 3.83 0.24 1 93 LEU 8.92 0.38 1 95 LEU 0.73 0.60 1 96 LYS 0.65 0.12 1 97 ASN 0.17 -0.21 1 98 ALA 0.66 0.30 1 100 ASP 0.33 -1.00 1 stop_ save_