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 bmr27595_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -4.84 _LACS_plot.Line_1_terminator_val_y_1 -2.68 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 1.55 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.13 _LACS_plot.Line_2_terminator_val_x_2 6.66 _LACS_plot.Line_2_terminator_val_y_2 5.04 _LACS_plot.Y_axis_chem_shift_offset -0.31 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 34 PHE -4.84 -3.18 0 27 HIS 4.26 6.01 0 11 ASP 0.25 0.33 1 12 GLU 0.81 1.01 1 13 ARG 2.01 1.41 1 14 ARG 2.18 1.62 1 15 LYS 2.28 1.90 1 17 LEU 1.88 1.63 1 18 ALA 2.28 1.48 1 19 PHE 4.21 3.71 1 20 LEU 3.62 2.75 1 21 ASP 3.90 3.46 1 22 GLU 3.71 2.84 1 23 LEU 2.51 2.26 1 24 ARG 5.70 4.49 1 25 GLN 4.51 3.33 1 26 PHE 4.32 3.73 1 28 HIS 4.34 5.69 1 29 SER 3.69 2.96 1 30 ARG -0.09 -0.62 1 32 SER -1.08 -1.24 1 35 LYS 0.05 0.90 1 36 LYS -1.50 -0.53 1 37 ILE -0.45 -0.03 1 39 ALA -3.25 -1.76 1 40 VAL -1.83 -0.60 1 43 LYS -3.62 -1.67 1 44 GLU -0.14 0.46 1 45 LEU -0.14 0.45 1 46 ASP 0.21 -1.56 1 47 LEU 2.64 2.67 1 48 HIS 2.73 4.35 1 50 LEU 3.97 3.15 1 51 TYR 3.39 3.83 1 52 THR 6.50 5.18 1 53 ARG 3.04 2.29 1 54 VAL 6.67 4.54 1 55 THR 6.27 4.77 1 56 THR 6.50 5.16 1 57 LEU -0.30 0.31 1 60 PHE 4.75 5.30 1 61 ALA 4.40 2.93 1 62 LYS 3.88 2.49 1 63 VAL 4.89 3.51 1 65 GLU 2.83 2.68 1 66 LYS 0.60 -0.37 1 67 ASN 2.94 1.11 1 68 GLN -0.34 0.70 1 69 TRP 3.06 2.66 1 71 GLU 1.52 1.44 1 72 ILE 1.49 1.59 1 73 VAL 5.20 3.86 1 74 GLU 2.97 2.50 1 75 GLU 1.82 1.21 1 76 PHE 1.33 1.05 1 77 ASN 2.48 1.45 1 78 PHE 1.84 1.71 1 80 ARG 2.22 1.45 1 81 SER 1.01 0.11 1 84 ASN 0.57 -0.02 1 85 ALA 2.65 3.17 1 86 ALA 4.32 3.05 1 87 PHE 3.41 2.82 1 88 ALA 3.37 2.20 1 89 LEU 3.82 2.85 1 90 LYS 4.32 3.13 1 91 GLN 3.61 2.68 1 92 TYR 3.39 1.91 1 93 TYR 4.12 5.08 1 94 LEU 3.87 3.44 1 95 ARG 3.43 2.40 1 96 TYR 0.33 2.79 1 97 LEU -1.16 0.96 1 98 GLU 5.84 5.98 1 99 LYS 4.48 2.66 1 100 TYR 5.17 4.04 1 101 GLU 2.29 3.05 1 102 LYS 4.03 3.56 1 103 VAL 2.33 2.30 1 104 HIS 1.86 3.00 1 105 HIS 1.14 3.08 1 106 PHE 0.90 0.90 1 108 LEU 0.32 0.21 1 109 GLU -0.24 0.10 1 110 HIS -0.21 1.25 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27595_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -4.84 _LACS_plot.Line_1_terminator_val_y_1 2.16 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.44 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.87 _LACS_plot.Line_2_terminator_val_x_2 6.66 _LACS_plot.Line_2_terminator_val_y_2 -1.62 _LACS_plot.Y_axis_chem_shift_offset -0.31 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 34 PHE -4.84 1.66 0 27 HIS 4.26 1.75 0 11 ASP 0.25 0.08 1 12 GLU 0.81 0.20 1 13 ARG 2.01 -0.60 1 14 ARG 2.18 -0.56 1 15 LYS 2.28 -0.38 1 17 LEU 1.88 -0.25 1 18 ALA 2.28 -0.80 1 19 PHE 4.21 -0.50 1 20 LEU 3.62 -0.87 1 21 ASP 3.90 -0.44 1 22 GLU 3.71 -0.87 1 23 LEU 2.51 -0.25 1 24 ARG 5.70 -1.21 1 25 GLN 4.51 -1.18 1 26 PHE 4.32 -0.59 1 28 HIS 4.34 1.35 1 29 SER 3.69 -0.73 1 30 ARG -0.09 -0.53 1 32 SER -1.08 -0.16 1 35 LYS 0.05 0.85 1 36 LYS -1.50 0.97 1 37 ILE -0.45 0.42 1 39 ALA -3.25 1.49 1 40 VAL -1.83 1.23 1 43 LYS -3.62 1.95 1 44 GLU -0.14 0.60 1 45 LEU -0.14 0.59 1 46 ASP 0.21 -1.77 1 47 LEU 2.64 0.03 1 48 HIS 2.73 1.62 1 50 LEU 3.97 -0.82 1 51 TYR 3.39 0.44 1 52 THR 6.50 -1.32 1 53 ARG 3.04 -0.75 1 54 VAL 6.67 -2.13 1 55 THR 6.27 -1.50 1 56 THR 6.50 -1.34 1 57 LEU -0.30 0.61 1 60 PHE 4.75 0.55 1 61 ALA 4.40 -1.47 1 62 LYS 3.88 -1.39 1 63 VAL 4.89 -1.38 1 65 GLU 2.83 -0.15 1 66 LYS 0.60 -0.97 1 67 ASN 2.94 -1.83 1 68 GLN -0.34 1.04 1 69 TRP 3.06 -0.40 1 71 GLU 1.52 -0.08 1 72 ILE 1.49 0.10 1 73 VAL 5.20 -1.34 1 74 GLU 2.97 -0.47 1 75 GLU 1.82 -0.61 1 76 PHE 1.33 -0.28 1 77 ASN 2.48 -1.03 1 78 PHE 1.84 -0.13 1 80 ARG 2.22 -0.77 1 81 SER 1.01 -0.90 1 84 ASN 0.57 -0.59 1 85 ALA 2.65 0.52 1 86 ALA 4.32 -1.27 1 87 PHE 3.41 -0.59 1 88 ALA 3.37 -1.17 1 89 LEU 3.82 -0.97 1 90 LYS 4.32 -1.19 1 91 GLN 3.61 -0.93 1 92 TYR 3.39 -1.48 1 93 TYR 4.12 0.96 1 94 LEU 3.87 -0.43 1 95 ARG 3.43 -1.03 1 96 TYR 0.33 2.46 1 97 LEU -1.16 2.12 1 98 GLU 5.84 0.14 1 99 LYS 4.48 -1.82 1 100 TYR 5.17 -1.13 1 101 GLU 2.29 0.76 1 102 LYS 4.03 -0.47 1 103 VAL 2.33 -0.03 1 104 HIS 1.86 1.14 1 105 HIS 1.14 1.94 1 106 PHE 0.90 0.00 1 108 LEU 0.32 -0.11 1 109 GLU -0.24 0.34 1 110 HIS -0.21 1.46 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27595_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -4.84 _LACS_plot.Line_1_terminator_val_y_1 0.28 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.21 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.11 _LACS_plot.Line_2_terminator_val_x_2 6.66 _LACS_plot.Line_2_terminator_val_y_2 -0.62 _LACS_plot.Y_axis_chem_shift_offset 0.06 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 48 HIS 2.73 -1.21 0 100 TYR 5.17 -1.47 0 34 PHE -4.84 -0.07 0 11 ASP 0.25 -0.10 1 12 GLU 0.81 -0.16 1 13 ARG 2.01 -0.09 1 14 ARG 2.18 -0.16 1 15 LYS 2.28 -0.19 1 17 LEU 1.88 -0.07 1 18 ALA 2.28 -0.05 1 19 PHE 4.21 -0.47 1 20 LEU 3.62 -0.57 1 21 ASP 3.90 -0.24 1 22 GLU 3.71 -0.39 1 23 LEU 2.51 -0.62 1 24 ARG 5.70 -0.61 1 25 GLN 4.51 -0.19 1 26 PHE 4.32 -0.38 1 27 HIS 4.26 -0.78 1 28 HIS 4.34 -0.54 1 29 SER 3.69 -0.29 1 30 ARG -0.09 -0.03 1 35 LYS 0.05 -0.05 1 36 LYS -1.50 0.04 1 39 ALA -3.25 0.32 1 40 VAL -1.83 -0.09 1 43 LYS -3.62 0.28 1 44 GLU -0.14 -0.32 1 45 LEU -0.14 -0.19 1 46 ASP 0.21 0.10 1 47 LEU 2.64 -0.42 1 50 LEU 3.97 -0.34 1 51 TYR 3.39 0.00 1 52 THR 6.50 -0.90 1 53 ARG 3.04 -0.39 1 54 VAL 6.67 -0.95 1 55 THR 6.27 -1.09 1 56 THR 6.50 -0.40 1 57 LEU -0.30 -0.19 1 60 PHE 4.75 -1.10 1 61 ALA 4.40 -0.33 1 62 LYS 3.88 -0.31 1 63 VAL 4.89 -0.74 1 65 GLU 2.83 -0.38 1 66 LYS 0.60 -0.15 1 67 ASN 2.94 -0.22 1 68 GLN -0.34 -0.07 1 69 TRP 3.06 -0.83 1 71 GLU 1.52 -0.10 1 72 ILE 1.49 0.22 1 73 VAL 5.20 -0.13 1 74 GLU 2.97 -0.08 1 75 GLU 1.82 -0.42 1 76 PHE 1.33 -0.19 1 77 ASN 2.48 -0.34 1 80 ARG 2.22 -0.17 1 81 SER 1.01 -0.21 1 84 ASN 0.57 0.14 1 85 ALA 2.65 -0.60 1 86 ALA 4.32 -0.74 1 88 ALA 3.37 -0.63 1 89 LEU 3.82 -0.04 1 90 LYS 4.32 0.27 1 91 GLN 3.61 -0.03 1 92 TYR 3.39 -0.02 1 93 TYR 4.12 -0.73 1 94 LEU 3.87 -0.60 1 95 ARG 3.43 -0.32 1 96 TYR 0.33 0.02 1 97 LEU -1.16 0.41 1 98 GLU 5.84 -0.39 1 99 LYS 4.48 -0.18 1 101 GLU 2.29 0.18 1 102 LYS 4.03 -0.07 1 103 VAL 2.33 -0.27 1 104 HIS 1.86 -0.15 1 105 HIS 1.14 -0.16 1 106 PHE 0.90 -0.08 1 108 LEU 0.32 -0.04 1 109 GLU -0.24 -0.20 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27595_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -3.62 _LACS_plot.Line_1_terminator_val_y_1 -1.54 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.86 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.80 _LACS_plot.Line_2_terminator_val_x_2 6.66 _LACS_plot.Line_2_terminator_val_y_2 2.77 _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 43 LYS -3.62 -1.48 0 28 HIS 4.34 5.35 0 11 ASP 0.25 0.54 1 12 GLU 0.81 0.82 1 13 ARG 2.01 -1.24 1 14 ARG 2.18 1.71 1 15 LYS 2.28 1.65 1 17 LEU 1.88 0.94 1 18 ALA 2.28 1.80 1 19 PHE 4.21 0.76 1 20 LEU 3.62 1.24 1 21 ASP 3.90 0.70 1 22 GLU 3.71 2.81 1 23 LEU 2.51 1.76 1 24 ARG 5.70 3.26 1 25 GLN 4.51 2.12 1 26 PHE 4.32 2.25 1 27 HIS 4.26 4.40 1 29 SER 3.69 0.52 1 30 ARG -0.09 0.18 1 32 SER -1.08 -0.29 1 35 LYS 0.05 -1.05 1 36 LYS -1.50 -1.20 1 37 ILE -0.45 -1.08 1 39 ALA -3.25 -0.75 1 40 VAL -1.83 0.61 1 44 GLU -0.14 -0.37 1 45 LEU -0.14 -1.38 1 46 ASP 0.21 -0.50 1 47 LEU 2.64 0.37 1 48 HIS 2.73 4.05 1 50 LEU 3.97 -0.39 1 51 TYR 3.39 3.26 1 52 THR 6.50 1.32 1 53 ARG 3.04 1.35 1 54 VAL 6.67 2.98 1 55 THR 6.27 4.50 1 56 THR 6.50 1.13 1 57 LEU -0.30 -1.45 1 60 PHE 4.75 1.83 1 61 ALA 4.40 2.31 1 62 LYS 3.88 1.43 1 63 VAL 4.89 2.47 1 65 GLU 2.83 1.47 1 66 LYS 0.60 -1.19 1 67 ASN 2.94 0.95 1 68 GLN -0.34 0.38 1 69 TRP 3.06 1.62 1 71 GLU 1.52 1.76 1 72 ILE 1.49 0.99 1 73 VAL 5.20 1.87 1 74 GLU 2.97 2.56 1 75 GLU 1.82 0.24 1 76 PHE 1.33 -2.09 1 77 ASN 2.48 -0.39 1 78 PHE 1.84 -0.09 1 80 ARG 2.22 0.40 1 81 SER 1.01 -0.30 1 84 ASN 0.57 0.47 1 85 ALA 2.65 -0.23 1 86 ALA 4.32 0.89 1 87 PHE 3.41 1.22 1 88 ALA 3.37 1.82 1 89 LEU 3.82 -0.27 1 90 LYS 4.32 1.50 1 91 GLN 3.61 3.78 1 92 TYR 3.39 2.56 1 93 TYR 4.12 3.68 1 94 LEU 3.87 1.08 1 95 ARG 3.43 1.78 1 96 TYR 0.33 2.45 1 97 LEU -1.16 -0.73 1 98 GLU 5.84 0.37 1 99 LYS 4.48 1.90 1 100 TYR 5.17 1.86 1 101 GLU 2.29 2.19 1 102 LYS 4.03 1.56 1 103 VAL 2.33 0.71 1 104 HIS 1.86 2.53 1 105 HIS 1.14 1.67 1 106 PHE 0.90 0.40 1 108 LEU 0.32 -0.38 1 109 GLU -0.24 -0.45 1 110 HIS -0.21 0.68 1 stop_ save_