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 bmr19288_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -5.48 _LACS_plot.Line_1_terminator_val_y_1 -2.26 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.32 _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 5.90 _LACS_plot.Line_2_terminator_val_y_2 4.25 _LACS_plot.Y_axis_chem_shift_offset -0.35 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 81 PHE -5.48 -0.34 0 10 HIS -0.01 1.30 1 11 MET 0.55 0.44 1 12 ARG -0.41 -0.20 1 13 ASP -1.45 -0.09 1 14 TYR -0.19 -0.38 1 15 ILE -2.62 -1.45 1 17 GLU 3.79 2.02 1 18 TYR 3.90 2.47 1 20 ALA 4.05 2.08 1 21 ARG 1.46 2.24 1 22 ALA -4.52 -1.69 1 23 PHE -4.19 -0.33 1 24 LYS 0.27 0.28 1 25 SER -5.31 -2.62 1 26 SER 4.36 2.32 1 27 HIS 3.67 4.58 1 28 ASN 3.72 2.45 1 29 LEU 4.67 2.79 1 30 ALA 4.14 2.99 1 31 VAL 4.36 3.74 1 32 HIS 5.05 4.38 1 33 ARG 3.77 4.01 1 34 MET 3.15 2.47 1 35 ILE 3.38 2.30 1 36 HIS 1.19 0.26 1 37 THR 1.08 0.99 1 39 GLU -0.88 -0.03 1 40 LYS -0.13 0.04 1 42 LEU -0.79 -0.47 1 43 GLN -5.37 -1.80 1 45 GLU 1.82 1.74 1 46 ILE 2.73 2.39 1 49 PHE 0.37 2.05 1 50 THR -4.76 -2.61 1 52 ARG -0.07 0.92 1 53 GLN -2.56 -1.06 1 54 LYS 4.64 3.63 1 55 ALA 3.84 2.96 1 56 SER 3.75 2.87 1 57 LEU 3.90 2.94 1 58 ASN 4.41 3.36 1 59 TRP 3.23 2.93 1 60 HIS 5.90 5.04 1 61 MET 4.59 1.78 1 62 LYS 3.72 2.31 1 63 LYS 3.46 1.63 1 64 HIS 0.85 0.63 1 65 ASP 1.08 1.10 1 66 ALA 1.24 1.19 1 67 ASP 0.78 0.64 1 68 SER 1.22 1.10 1 69 PHE 0.60 0.35 1 70 TYR -0.34 -1.41 1 71 GLN -0.11 0.78 1 72 PHE -2.05 -0.54 1 73 SER -3.43 -1.27 1 75 ASN 4.35 2.22 1 76 ILE 2.65 2.12 1 79 LYS 1.47 2.14 1 80 LYS -2.60 -0.68 1 82 GLU 0.37 1.30 1 83 LYS -4.27 -1.83 1 84 LYS 4.66 3.48 1 85 ASP 3.91 2.59 1 86 SER 3.62 2.64 1 87 VAL 5.27 3.83 1 88 VAL 5.48 4.53 1 89 ALA 3.18 2.35 1 90 HIS 4.55 3.79 1 91 LYS 5.83 4.93 1 92 ALA 2.99 2.06 1 93 LYS 0.69 1.45 1 94 SER 2.80 2.27 1 95 HIS -1.60 -1.57 1 97 GLU 0.44 0.29 1 98 VAL 1.55 1.77 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19288_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -5.48 _LACS_plot.Line_1_terminator_val_y_1 3.22 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.68 _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 5.90 _LACS_plot.Line_2_terminator_val_y_2 -1.65 _LACS_plot.Y_axis_chem_shift_offset -0.35 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 81 PHE -5.48 5.14 0 10 HIS -0.01 1.31 1 11 MET 0.55 -0.11 1 12 ARG -0.41 0.21 1 13 ASP -1.45 1.36 1 14 TYR -0.19 -0.19 1 15 ILE -2.62 1.17 1 17 GLU 3.79 -1.77 1 18 TYR 3.90 -1.43 1 20 ALA 4.05 -1.97 1 21 ARG 1.46 0.78 1 22 ALA -4.52 2.83 1 23 PHE -4.19 3.86 1 24 LYS 0.27 0.01 1 25 SER -5.31 2.69 1 26 SER 4.36 -2.04 1 27 HIS 3.67 0.91 1 28 ASN 3.72 -1.27 1 29 LEU 4.67 -1.88 1 30 ALA 4.14 -1.15 1 31 VAL 4.36 -0.62 1 32 HIS 5.05 -0.67 1 33 ARG 3.77 0.24 1 34 MET 3.15 -0.68 1 35 ILE 3.38 -1.08 1 36 HIS 1.19 -0.93 1 37 THR 1.08 -0.09 1 39 GLU -0.88 0.85 1 40 LYS -0.13 0.17 1 42 LEU -0.79 0.32 1 43 GLN -5.37 3.57 1 45 GLU 1.82 -0.08 1 46 ILE 2.73 -0.34 1 49 PHE 0.37 1.68 1 50 THR -4.76 2.15 1 52 ARG -0.07 0.99 1 53 GLN -2.56 1.50 1 54 LYS 4.64 -1.01 1 55 ALA 3.84 -0.88 1 56 SER 3.75 -0.88 1 57 LEU 3.90 -0.96 1 58 ASN 4.41 -1.05 1 59 TRP 3.23 -0.30 1 60 HIS 5.90 -0.86 1 61 MET 4.59 -2.81 1 62 LYS 3.72 -1.41 1 63 LYS 3.46 -1.83 1 64 HIS 0.85 -0.22 1 65 ASP 1.08 0.02 1 66 ALA 1.24 -0.05 1 67 ASP 0.78 -0.14 1 68 SER 1.22 -0.12 1 69 PHE 0.60 -0.25 1 70 TYR -0.34 -1.07 1 71 GLN -0.11 0.89 1 72 PHE -2.05 1.51 1 73 SER -3.43 2.16 1 75 ASN 4.35 -2.13 1 76 ILE 2.65 -0.53 1 79 LYS 1.47 0.67 1 80 LYS -2.60 1.92 1 82 GLU 0.37 0.93 1 83 LYS -4.27 2.44 1 84 LYS 4.66 -1.18 1 85 ASP 3.91 -1.32 1 86 SER 3.62 -0.98 1 87 VAL 5.27 -1.44 1 88 VAL 5.48 -0.95 1 89 ALA 3.18 -0.83 1 90 HIS 4.55 -0.76 1 91 LYS 5.83 -0.90 1 92 ALA 2.99 -0.93 1 93 LYS 0.69 0.76 1 94 SER 2.80 -0.53 1 95 HIS -1.60 0.03 1 97 GLU 0.44 -0.15 1 98 VAL 1.55 0.22 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19288_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -5.48 _LACS_plot.Line_1_terminator_val_y_1 0.55 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.22 _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 5.90 _LACS_plot.Line_2_terminator_val_y_2 -0.62 _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 81 PHE -5.48 -0.02 0 87 VAL 5.27 -1.42 0 10 HIS -0.01 -0.11 1 11 MET 0.55 -0.09 1 12 ARG -0.41 -0.10 1 13 ASP -1.45 0.03 1 14 TYR -0.19 -0.02 1 15 ILE -2.62 0.54 1 17 GLU 3.79 -0.15 1 18 TYR 3.90 -0.23 1 20 ALA 4.05 -0.18 1 21 ARG 1.46 -0.34 1 22 ALA -4.52 0.69 1 23 PHE -4.19 0.06 1 24 LYS 0.27 0.39 1 25 SER -5.31 0.10 1 27 HIS 3.67 -0.47 1 28 ASN 3.72 -0.52 1 29 LEU 4.67 -1.16 1 30 ALA 4.14 -0.40 1 31 VAL 4.36 -0.56 1 32 HIS 5.05 -0.61 1 33 ARG 3.77 -0.68 1 34 MET 3.15 -0.27 1 35 ILE 3.38 -0.27 1 36 HIS 1.19 -0.25 1 37 THR 1.08 -0.19 1 39 GLU -0.88 -0.11 1 40 LYS -0.13 -0.08 1 42 LEU -0.79 0.04 1 43 GLN -5.37 0.84 1 45 GLU 1.82 -0.17 1 46 ILE 2.73 -0.33 1 49 PHE 0.37 -0.35 1 50 THR -4.76 0.80 1 52 ARG -0.07 0.23 1 53 GLN -2.56 0.38 1 54 LYS 4.64 -0.55 1 55 ALA 3.84 -0.19 1 56 SER 3.75 0.04 1 57 LEU 3.90 -0.01 1 58 ASN 4.41 -0.38 1 59 TRP 3.23 -0.31 1 60 HIS 5.90 -1.06 1 61 MET 4.59 -0.35 1 62 LYS 3.72 -0.32 1 63 LYS 3.46 -0.53 1 64 HIS 0.85 -0.02 1 65 ASP 1.08 -0.14 1 66 ALA 1.24 -0.18 1 67 ASP 0.78 -0.47 1 68 SER 1.22 -0.33 1 69 PHE 0.60 -0.15 1 70 TYR -0.34 -0.06 1 71 GLN -0.11 -0.26 1 72 PHE -2.05 0.23 1 73 SER -3.43 1.00 1 75 ASN 4.35 -0.24 1 76 ILE 2.65 -0.26 1 79 LYS 1.47 -0.37 1 80 LYS -2.60 0.56 1 82 GLU 0.37 -0.19 1 83 LYS -4.27 0.29 1 84 LYS 4.66 -1.25 1 85 ASP 3.91 -0.45 1 86 SER 3.62 -0.29 1 88 VAL 5.48 -0.64 1 89 ALA 3.18 -0.19 1 90 HIS 4.55 -0.36 1 91 LYS 5.83 -0.74 1 92 ALA 2.99 -0.31 1 93 LYS 0.69 -0.14 1 94 SER 2.80 -0.23 1 95 HIS -1.60 0.39 1 97 GLU 0.44 -0.05 1 98 VAL 1.55 -0.11 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19288_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -5.48 _LACS_plot.Line_1_terminator_val_y_1 -1.22 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.54 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.40 _LACS_plot.Line_2_terminator_val_x_2 5.90 _LACS_plot.Line_2_terminator_val_y_2 1.45 _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 95 HIS -1.60 5.88 0 13 ASP -1.45 -0.58 1 14 TYR -0.19 -1.13 1 15 ILE -2.62 -1.22 1 17 GLU 3.79 -0.77 1 18 TYR 3.90 0.88 1 20 ALA 4.05 -0.79 1 21 ARG 1.46 -1.17 1 22 ALA -4.52 -2.05 1 23 PHE -4.19 -1.95 1 24 LYS 0.27 0.33 1 25 SER -5.31 1.07 1 26 SER 4.36 1.67 1 27 HIS 3.67 -0.44 1 29 LEU 4.67 -1.39 1 30 ALA 4.14 0.56 1 31 VAL 4.36 0.05 1 32 HIS 5.05 6.60 1 33 ARG 3.77 2.44 1 34 MET 3.15 0.13 1 35 ILE 3.38 1.10 1 36 HIS 1.19 4.31 1 37 THR 1.08 2.48 1 39 GLU -0.88 -1.21 1 40 LYS -0.13 -0.68 1 43 GLN -5.37 0.32 1 45 GLU 1.82 -1.94 1 46 ILE 2.73 1.00 1 49 PHE 0.37 0.51 1 50 THR -4.76 -1.22 1 52 ARG -0.07 -3.81 1 54 LYS 4.64 -0.57 1 55 ALA 3.84 -1.07 1 56 SER 3.75 3.71 1 57 LEU 3.90 3.04 1 58 ASN 4.41 1.57 1 59 TRP 3.23 2.06 1 60 HIS 5.90 0.62 1 61 MET 4.59 2.04 1 62 LYS 3.72 0.12 1 63 LYS 3.46 2.55 1 64 HIS 0.85 4.63 1 65 ASP 1.08 1.35 1 66 ALA 1.24 -2.63 1 67 ASP 0.78 0.39 1 68 SER 1.22 3.46 1 69 PHE 0.60 1.16 1 70 TYR -0.34 -1.57 1 71 GLN -0.11 -0.17 1 72 PHE -2.05 0.52 1 73 SER -3.43 0.55 1 75 ASN 4.35 -1.54 1 79 LYS 1.47 -0.12 1 80 LYS -2.60 -2.64 1 81 PHE -5.48 -1.26 1 82 GLU 0.37 -0.77 1 83 LYS -4.27 -2.01 1 84 LYS 4.66 -0.06 1 85 ASP 3.91 0.08 1 86 SER 3.62 4.57 1 87 VAL 5.27 2.51 1 88 VAL 5.48 -0.09 1 89 ALA 3.18 -0.69 1 90 HIS 4.55 4.77 1 91 LYS 5.83 3.33 1 92 ALA 2.99 -0.67 1 93 LYS 0.69 1.25 1 94 SER 2.80 4.29 1 98 VAL 1.55 0.78 1 stop_ save_