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 bmr19875_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -2.68 _LACS_plot.Line_1_terminator_val_y_1 -1.02 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.37 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.43 _LACS_plot.Line_2_terminator_val_x_2 6.79 _LACS_plot.Line_2_terminator_val_y_2 5.37 _LACS_plot.Y_axis_chem_shift_offset -0.23 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 79 GLN 0.92 -2.27 0 10 LEU 5.25 3.68 1 11 SER 1.27 -0.14 1 12 THR 6.78 5.80 1 13 LEU 3.64 2.63 1 14 GLU 2.78 1.66 1 15 GLU 1.00 0.58 1 16 LEU -0.65 -0.78 1 17 VAL 4.25 1.37 1 19 TYR 3.25 3.18 1 20 ASP 2.86 2.68 1 21 PHE 5.12 4.00 1 22 GLU 4.85 3.17 1 23 LYS 4.61 3.79 1 24 PHE 4.75 4.06 1 25 LYS 6.05 5.11 1 26 PHE 4.58 4.06 1 27 LYS 3.69 0.91 1 28 LEU 3.89 3.12 1 29 GLN 2.82 2.60 1 30 ASN -1.36 -0.08 1 31 THR 0.87 1.20 1 32 SER 0.89 0.69 1 33 VAL -2.68 -1.51 1 34 GLN 1.70 1.63 1 35 LYS 1.78 1.27 1 36 GLU 2.28 1.03 1 37 HIS -1.40 -0.06 1 38 SER -0.60 -0.07 1 39 ARG -0.50 0.05 1 40 ILE 0.49 1.34 1 42 ARG 5.14 4.36 1 43 SER 3.98 2.40 1 44 GLN 3.46 2.48 1 45 ILE 4.55 4.19 1 46 GLN 4.60 3.71 1 47 ARG 0.36 0.28 1 48 ALA 2.12 1.93 1 49 ARG 3.06 0.91 1 51 VAL 5.64 3.92 1 52 LYS 1.73 1.08 1 53 MET -0.07 1.99 1 54 ALA 4.51 3.75 1 55 THR 5.82 4.89 1 56 LEU 2.91 3.47 1 57 LEU 3.55 4.03 1 58 VAL 5.74 4.67 1 59 THR 5.73 5.19 1 60 TYR 5.55 4.26 1 61 TYR -1.75 -0.19 1 63 GLU 4.52 4.93 1 64 GLU 4.68 3.83 1 65 TYR 4.25 2.37 1 66 ALA 3.49 3.81 1 67 VAL 6.75 5.42 1 68 GLN 5.28 4.25 1 69 LEU 2.81 2.53 1 70 THR 6.33 5.76 1 71 LEU 4.58 4.00 1 72 GLN 4.47 3.64 1 73 VAL 6.64 4.78 1 74 LEU 2.92 2.92 1 75 ARG 6.01 4.59 1 76 ALA 2.20 2.02 1 77 ILE 1.14 -0.15 1 78 ASN 3.75 1.73 1 80 ARG 4.85 4.26 1 81 LEU 4.81 3.26 1 82 LEU 3.29 2.89 1 83 ALA 3.54 2.54 1 84 GLU 3.36 2.75 1 85 GLU 3.67 2.74 1 86 LEU 4.83 2.44 1 87 HIS 4.31 3.92 1 88 ARG 6.80 3.50 1 89 ALA 3.27 1.65 1 90 ALA 2.16 1.61 1 91 ILE 2.71 1.73 1 92 GLN 2.87 1.96 1 93 LEU 0.83 0.81 1 94 GLU 0.83 0.39 1 95 HIS 0.66 0.47 1 96 HIS 0.66 0.64 1 97 HIS 0.42 0.55 1 98 HIS 0.33 0.70 1 99 HIS 0.32 0.71 1 100 HIS 1.65 2.47 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19875_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -2.68 _LACS_plot.Line_1_terminator_val_y_1 1.66 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.63 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.57 _LACS_plot.Line_2_terminator_val_x_2 6.79 _LACS_plot.Line_2_terminator_val_y_2 -1.42 _LACS_plot.Y_axis_chem_shift_offset -0.23 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 79 GLN 0.92 -3.19 0 10 LEU 5.25 -1.57 1 11 SER 1.27 -1.41 1 12 THR 6.78 -0.98 1 13 LEU 3.64 -1.01 1 14 GLU 2.78 -1.12 1 15 GLU 1.00 -0.42 1 16 LEU -0.65 -0.13 1 17 VAL 4.25 -2.88 1 19 TYR 3.25 -0.07 1 20 ASP 2.86 -0.18 1 21 PHE 5.12 -1.12 1 22 GLU 4.85 -1.68 1 23 LYS 4.61 -0.82 1 24 PHE 4.75 -0.69 1 25 LYS 6.05 -0.94 1 26 PHE 4.58 -0.52 1 27 LYS 3.69 -2.78 1 28 LEU 3.89 -0.77 1 29 GLN 2.82 -0.22 1 30 ASN -1.36 1.28 1 31 THR 0.87 0.33 1 32 SER 0.89 -0.20 1 33 VAL -2.68 1.17 1 34 GLN 1.70 -0.07 1 35 LYS 1.78 -0.51 1 36 GLU 2.28 -1.25 1 37 HIS -1.40 1.34 1 38 SER -0.60 0.53 1 39 ARG -0.50 0.55 1 40 ILE 0.49 0.85 1 42 ARG 5.14 -0.78 1 43 SER 3.98 -1.58 1 44 GLN 3.46 -0.98 1 45 ILE 4.55 -0.36 1 46 GLN 4.60 -0.89 1 47 ARG 0.36 -0.08 1 48 ALA 2.12 -0.19 1 49 ARG 3.06 -2.15 1 51 VAL 5.64 -1.72 1 52 LYS 1.73 -0.65 1 53 MET -0.07 2.06 1 54 ALA 4.51 -0.76 1 55 THR 5.82 -0.93 1 56 LEU 2.91 0.56 1 57 LEU 3.55 0.48 1 58 VAL 5.74 -1.07 1 59 THR 5.73 -0.54 1 60 TYR 5.55 -1.29 1 61 TYR -1.75 1.56 1 63 GLU 4.52 0.41 1 64 GLU 4.68 -0.85 1 65 TYR 4.25 -1.88 1 66 ALA 3.49 0.32 1 67 VAL 6.75 -1.33 1 68 GLN 5.28 -1.03 1 69 LEU 2.81 -0.28 1 70 THR 6.33 -0.57 1 71 LEU 4.58 -0.58 1 72 GLN 4.47 -0.83 1 73 VAL 6.64 -1.86 1 74 LEU 2.92 0.00 1 75 ARG 6.01 -1.42 1 76 ALA 2.20 -0.18 1 77 ILE 1.14 -1.29 1 78 ASN 3.75 -2.02 1 80 ARG 4.85 -0.59 1 81 LEU 4.81 -1.55 1 82 LEU 3.29 -0.40 1 83 ALA 3.54 -1.00 1 84 GLU 3.36 -0.61 1 85 GLU 3.67 -0.93 1 86 LEU 4.83 -2.39 1 87 HIS 4.31 -0.39 1 88 ARG 6.80 -3.30 1 89 ALA 3.27 -1.62 1 90 ALA 2.16 -0.55 1 91 ILE 2.71 -0.98 1 92 GLN 2.87 -0.91 1 93 LEU 0.83 -0.02 1 94 GLU 0.83 -0.44 1 95 HIS 0.66 -0.19 1 96 HIS 0.66 -0.02 1 97 HIS 0.42 0.13 1 98 HIS 0.33 0.37 1 99 HIS 0.32 0.39 1 100 HIS 1.65 0.82 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19875_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -2.68 _LACS_plot.Line_1_terminator_val_y_1 0.24 _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 0.17 _LACS_plot.Line_2_terminator_val_x_2 6.79 _LACS_plot.Line_2_terminator_val_y_2 -0.64 _LACS_plot.Y_axis_chem_shift_offset 0.01 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 40 ILE 0.49 -1.25 0 10 LEU 5.25 -0.53 1 11 SER 1.27 -0.46 1 12 THR 6.78 -0.42 1 13 LEU 3.64 -0.62 1 14 GLU 2.78 -0.48 1 15 GLU 1.00 -0.24 1 16 LEU -0.65 0.20 1 17 VAL 4.25 0.08 1 19 TYR 3.25 -0.17 1 20 ASP 2.86 0.10 1 21 PHE 5.12 -0.22 1 22 GLU 4.85 -0.56 1 23 LYS 4.61 -0.27 1 24 PHE 4.75 -0.89 1 25 LYS 6.05 -0.89 1 26 PHE 4.58 -0.54 1 27 LYS 3.69 -0.35 1 28 LEU 3.89 -0.67 1 29 GLN 2.82 -0.40 1 30 ASN -1.36 0.03 1 31 THR 0.87 -0.09 1 32 SER 0.89 -0.16 1 33 VAL -2.68 0.18 1 34 GLN 1.70 -0.20 1 35 LYS 1.78 -0.18 1 36 GLU 2.28 -0.24 1 37 HIS -1.40 0.15 1 38 SER -0.60 0.16 1 39 ARG -0.50 0.10 1 42 ARG 5.14 -0.56 1 43 SER 3.98 0.29 1 44 GLN 3.46 -0.23 1 45 ILE 4.55 -0.72 1 46 GLN 4.60 -0.50 1 47 ARG 0.36 0.01 1 48 ALA 2.12 -0.11 1 49 ARG 3.06 0.13 1 51 VAL 5.64 -0.37 1 52 LYS 1.73 -0.06 1 53 MET -0.07 -0.15 1 54 ALA 4.51 -0.40 1 55 THR 5.82 -0.34 1 56 LEU 2.91 -0.23 1 57 LEU 3.55 -0.30 1 58 VAL 5.74 -0.70 1 59 THR 5.73 -0.49 1 60 TYR 5.55 -0.65 1 61 TYR -1.75 0.44 1 63 GLU 4.52 -0.53 1 64 GLU 4.68 -0.34 1 65 TYR 4.25 -0.12 1 66 ALA 3.49 -0.53 1 67 VAL 6.75 -0.64 1 68 GLN 5.28 -0.49 1 69 LEU 2.81 -0.49 1 70 THR 6.33 -0.08 1 71 LEU 4.58 -0.48 1 72 GLN 4.47 -0.40 1 73 VAL 6.64 -0.67 1 74 LEU 2.92 -0.31 1 75 ARG 6.01 -0.64 1 76 ALA 2.20 -0.03 1 77 ILE 1.14 0.55 1 78 ASN 3.75 -0.33 1 79 GLN 0.92 0.36 1 80 ARG 4.85 -0.57 1 81 LEU 4.81 -0.18 1 82 LEU 3.29 -0.20 1 83 ALA 3.54 -0.36 1 84 GLU 3.36 -0.24 1 85 GLU 3.67 -0.37 1 86 LEU 4.83 -0.24 1 87 HIS 4.31 -0.62 1 88 ARG 6.80 -0.57 1 89 ALA 3.27 -0.38 1 90 ALA 2.16 -0.23 1 91 ILE 2.71 -0.26 1 92 GLN 2.87 -0.22 1 93 LEU 0.83 -0.12 1 94 GLU 0.83 -0.21 1 95 HIS 0.66 -0.10 1 96 HIS 0.66 -0.09 1 97 HIS 0.42 -0.05 1 98 HIS 0.33 -0.06 1 99 HIS 0.32 -0.10 1 100 HIS 1.65 -0.28 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19875_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -2.68 _LACS_plot.Line_1_terminator_val_y_1 -0.92 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.82 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.52 _LACS_plot.Line_2_terminator_val_x_2 6.79 _LACS_plot.Line_2_terminator_val_y_2 2.38 _LACS_plot.Y_axis_chem_shift_offset -0.11 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 67 VAL 6.75 -3.38 0 10 LEU 5.25 0.34 1 11 SER 1.27 2.17 1 12 THR 6.78 1.06 1 13 LEU 3.64 2.05 1 14 GLU 2.78 -0.12 1 15 GLU 1.00 0.59 1 16 LEU -0.65 0.53 1 17 VAL 4.25 0.92 1 19 TYR 3.25 2.46 1 20 ASP 2.86 1.93 1 21 PHE 5.12 1.74 1 22 GLU 4.85 2.86 1 23 LYS 4.61 2.30 1 24 PHE 4.75 -0.01 1 25 LYS 6.05 1.80 1 26 PHE 4.58 2.14 1 27 LYS 3.69 3.71 1 28 LEU 3.89 1.58 1 29 GLN 2.82 -0.50 1 30 ASN -1.36 -0.93 1 31 THR 0.87 -1.14 1 32 SER 0.89 -0.79 1 33 VAL -2.68 -0.11 1 34 GLN 1.70 0.53 1 35 LYS 1.78 0.10 1 36 GLU 2.28 -0.76 1 37 HIS -1.40 -0.39 1 38 SER -0.60 -0.60 1 39 ARG -0.50 -0.36 1 40 ILE 0.49 -0.70 1 42 ARG 5.14 2.10 1 43 SER 3.98 2.26 1 44 GLN 3.46 2.35 1 45 ILE 4.55 1.47 1 46 GLN 4.60 2.05 1 47 ARG 0.36 0.48 1 48 ALA 2.12 0.53 1 49 ARG 3.06 0.34 1 51 VAL 5.64 1.74 1 52 LYS 1.73 1.36 1 53 MET -0.07 1.11 1 54 ALA 4.51 0.95 1 55 THR 5.82 2.84 1 56 LEU 2.91 0.92 1 57 LEU 3.55 0.76 1 58 VAL 5.74 3.10 1 59 THR 5.73 1.30 1 60 TYR 5.55 2.26 1 61 TYR -1.75 1.43 1 63 GLU 4.52 0.38 1 64 GLU 4.68 2.94 1 65 TYR 4.25 0.89 1 66 ALA 3.49 3.27 1 68 GLN 5.28 2.84 1 69 LEU 2.81 0.62 1 70 THR 6.33 1.80 1 71 LEU 4.58 0.74 1 72 GLN 4.47 3.61 1 73 VAL 6.64 1.71 1 74 LEU 2.92 2.27 1 76 ALA 2.20 1.54 1 77 ILE 1.14 -1.18 1 78 ASN 3.75 -0.09 1 79 GLN 0.92 0.16 1 80 ARG 4.85 2.29 1 81 LEU 4.81 2.29 1 82 LEU 3.29 2.08 1 83 ALA 3.54 0.80 1 84 GLU 3.36 2.60 1 85 GLU 3.67 2.47 1 86 LEU 4.83 -0.15 1 87 HIS 4.31 2.05 1 88 ARG 6.80 2.01 1 89 ALA 3.27 1.29 1 90 ALA 2.16 1.45 1 91 ILE 2.71 1.23 1 92 GLN 2.87 1.34 1 93 LEU 0.83 0.21 1 94 GLU 0.83 -0.01 1 95 HIS 0.66 0.39 1 96 HIS 0.66 0.15 1 97 HIS 0.42 0.12 1 98 HIS 0.33 -0.11 1 99 HIS 0.32 -0.56 1 100 HIS 1.65 4.75 1 stop_ save_