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 bmr19482_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.91 _LACS_plot.Line_1_terminator_val_y_1 -3.59 _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 -1.23 _LACS_plot.Line_2_terminator_val_x_2 7.19 _LACS_plot.Line_2_terminator_val_y_2 5.16 _LACS_plot.Y_axis_chem_shift_offset -0.17 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 47 HIS -4.28 1.62 0 10 GLU -3.09 -0.90 1 11 ARG -1.72 -0.30 1 12 ASP 2.57 1.60 1 14 ASN -2.75 -0.99 1 15 ALA -4.43 -1.74 1 16 VAL -1.92 -1.34 1 17 LEU -1.46 0.62 1 18 ASN -4.64 -2.47 1 19 LEU -7.79 -1.47 1 20 LEU -6.53 -1.64 1 21 PHE -3.22 -1.04 1 22 SER -4.49 -1.69 1 23 LEU -1.34 -1.34 1 24 ARG -0.00 0.40 1 26 THR -1.89 -0.69 1 29 SER 0.11 -0.39 1 30 SER -2.03 -1.37 1 31 LEU 5.04 2.74 1 32 SER 7.19 4.45 1 33 ARG 4.06 3.30 1 34 ALA 3.82 2.72 1 35 VAL 6.20 4.40 1 36 LYS 3.00 2.25 1 37 VAL 6.91 5.07 1 38 PHE 6.48 4.72 1 40 THR 5.56 4.73 1 41 PHE 1.20 1.45 1 42 GLU 3.86 0.61 1 43 ALA -1.58 -0.39 1 44 LYS -1.76 -1.26 1 45 ILE 2.20 1.35 1 46 HIS -1.37 2.19 1 48 LEU -5.24 -0.70 1 49 GLU -5.10 -1.70 1 50 THR -3.81 -2.53 1 51 ARG -3.05 -0.17 1 53 ALA -0.54 -0.39 1 54 GLN 1.25 1.28 1 55 ARG -0.39 -0.29 1 57 LEU 0.00 0.21 1 58 ALA 0.63 0.66 1 60 SER -0.04 0.22 1 62 HIS -1.96 0.88 1 63 LEU -2.77 -1.10 1 64 GLU -4.84 -2.20 1 65 TYR -1.14 -0.06 1 66 PHE -4.00 -1.98 1 67 VAL -6.17 -3.18 1 68 ARG -3.61 -1.63 1 69 PHE -4.94 -2.28 1 70 GLU -9.91 -3.67 1 71 VAL -6.33 -1.88 1 73 SER 5.53 4.37 1 75 ASP -1.26 0.54 1 76 LEU 4.66 3.88 1 77 ALA 5.13 3.33 1 78 ALA 2.94 2.24 1 79 LEU 5.66 3.71 1 80 LEU 3.73 2.48 1 81 SER 4.82 3.73 1 82 SER 4.77 4.30 1 83 VAL 5.95 4.29 1 84 ARG 3.97 2.98 1 85 ARG 2.02 1.95 1 86 VAL -1.56 -1.58 1 87 SER -1.89 -0.43 1 88 ASP -3.00 -0.40 1 89 ASP 0.57 0.14 1 90 VAL 1.09 0.49 1 91 ARG -2.78 -0.91 1 92 SER 0.39 1.22 1 93 ALA -1.74 0.73 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19482_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.91 _LACS_plot.Line_1_terminator_val_y_1 6.32 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.07 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.77 _LACS_plot.Line_2_terminator_val_x_2 7.19 _LACS_plot.Line_2_terminator_val_y_2 -2.03 _LACS_plot.Y_axis_chem_shift_offset -0.17 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 47 HIS -4.28 5.90 0 10 GLU -3.09 2.19 1 11 ARG -1.72 1.42 1 12 ASP 2.57 -0.97 1 14 ASN -2.75 1.76 1 15 ALA -4.43 2.69 1 16 VAL -1.92 0.58 1 17 LEU -1.46 2.08 1 18 ASN -4.64 2.17 1 19 LEU -7.79 6.32 1 20 LEU -6.53 4.89 1 21 PHE -3.22 2.18 1 22 SER -4.49 2.80 1 23 LEU -1.34 0.00 1 24 ARG -0.00 0.40 1 26 THR -1.89 1.20 1 29 SER 0.11 -0.50 1 30 SER -2.03 0.66 1 31 LEU 5.04 -2.30 1 32 SER 7.19 -2.74 1 33 ARG 4.06 -0.76 1 34 ALA 3.82 -1.10 1 35 VAL 6.20 -1.80 1 36 LYS 3.00 -0.75 1 37 VAL 6.91 -1.84 1 38 PHE 6.48 -1.76 1 40 THR 5.56 -0.83 1 41 PHE 1.20 0.25 1 42 GLU 3.86 -3.25 1 43 ALA -1.58 1.19 1 44 LYS -1.76 0.50 1 45 ILE 2.20 -0.85 1 46 HIS -1.37 3.56 1 48 LEU -5.24 4.54 1 49 GLU -5.10 3.40 1 50 THR -3.81 1.28 1 51 ARG -3.05 2.88 1 53 ALA -0.54 0.15 1 54 GLN 1.25 0.03 1 55 ARG -0.39 0.10 1 57 LEU 0.00 0.21 1 58 ALA 0.63 0.03 1 60 SER -0.04 0.26 1 62 HIS -1.96 2.84 1 63 LEU -2.77 1.67 1 64 GLU -4.84 2.64 1 65 TYR -1.14 1.08 1 66 PHE -4.00 2.02 1 67 VAL -6.17 2.99 1 68 ARG -3.61 1.98 1 69 PHE -4.94 2.66 1 70 GLU -9.91 6.24 1 71 VAL -6.33 4.45 1 73 SER 5.53 -1.16 1 75 ASP -1.26 1.80 1 76 LEU 4.66 -0.78 1 77 ALA 5.13 -1.80 1 78 ALA 2.94 -0.70 1 79 LEU 5.66 -1.95 1 80 LEU 3.73 -1.25 1 81 SER 4.82 -1.09 1 82 SER 4.77 -0.47 1 83 VAL 5.95 -1.66 1 84 ARG 3.97 -0.99 1 85 ARG 2.02 -0.07 1 86 VAL -1.56 -0.02 1 87 SER -1.89 1.46 1 88 ASP -3.00 2.60 1 89 ASP 0.57 -0.43 1 90 VAL 1.09 -0.60 1 91 ARG -2.78 1.87 1 92 SER 0.39 0.83 1 93 ALA -1.74 2.47 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19482_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -9.91 _LACS_plot.Line_1_terminator_val_y_1 1.41 _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 0.34 _LACS_plot.Line_2_terminator_val_x_2 7.19 _LACS_plot.Line_2_terminator_val_y_2 -0.88 _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 79 LEU 5.66 -1.46 0 10 GLU -3.09 0.93 1 11 ARG -1.72 0.16 1 12 ASP 2.57 -0.36 1 14 ASN -2.75 0.52 1 15 ALA -4.43 0.74 1 16 VAL -1.92 0.63 1 17 LEU -1.46 0.34 1 18 ASN -4.64 0.83 1 19 LEU -7.79 0.78 1 20 LEU -6.53 1.46 1 21 PHE -3.22 0.65 1 22 SER -4.49 0.76 1 23 LEU -1.34 0.66 1 24 ARG -0.00 0.03 1 26 THR -1.89 -0.03 1 29 SER 0.11 0.00 1 30 SER -2.03 0.15 1 31 LEU 5.04 -0.36 1 32 SER 7.19 -1.03 1 33 ARG 4.06 -0.47 1 34 ALA 3.82 -0.42 1 35 VAL 6.20 -0.43 1 36 LYS 3.00 -0.24 1 37 VAL 6.91 -0.56 1 38 PHE 6.48 -0.92 1 40 THR 5.56 -0.56 1 41 PHE 1.20 -0.31 1 42 GLU 3.86 -0.48 1 43 ALA -1.58 0.46 1 44 LYS -1.76 0.26 1 45 ILE 2.20 -0.23 1 46 HIS -1.37 -0.02 1 47 HIS -4.28 0.13 1 48 LEU -5.24 1.18 1 49 GLU -5.10 1.14 1 50 THR -3.81 0.48 1 51 ARG -3.05 0.34 1 53 ALA -0.54 -0.22 1 54 GLN 1.25 -0.21 1 55 ARG -0.39 -0.05 1 57 LEU 0.00 -0.05 1 58 ALA 0.63 -0.09 1 60 SER -0.04 0.10 1 62 HIS -1.96 0.06 1 63 LEU -2.77 0.31 1 64 GLU -4.84 0.15 1 65 TYR -1.14 -0.14 1 66 PHE -4.00 0.80 1 67 VAL -6.17 0.88 1 68 ARG -3.61 1.31 1 69 PHE -4.94 0.95 1 70 GLU -9.91 1.57 1 71 VAL -6.33 0.56 1 73 SER 5.53 -0.77 1 75 ASP -1.26 0.38 1 76 LEU 4.66 -0.71 1 77 ALA 5.13 -0.59 1 78 ALA 2.94 -0.38 1 80 LEU 3.73 -0.76 1 81 SER 4.82 -0.43 1 82 SER 4.77 -0.31 1 83 VAL 5.95 -0.73 1 84 ARG 3.97 -0.16 1 85 ARG 2.02 -0.10 1 86 VAL -1.56 0.33 1 87 SER -1.89 0.36 1 88 ASP -3.00 0.33 1 89 ASP 0.57 -0.16 1 90 VAL 1.09 0.60 1 91 ARG -2.78 0.42 1 92 SER 0.39 0.53 1 93 ALA -1.74 0.00 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19482_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -9.91 _LACS_plot.Line_1_terminator_val_y_1 -4.01 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.37 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.12 _LACS_plot.Line_2_terminator_val_x_2 7.19 _LACS_plot.Line_2_terminator_val_y_2 2.28 _LACS_plot.Y_axis_chem_shift_offset 0.37 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 17 LEU -1.46 -5.38 0 93 ALA -1.74 3.86 0 10 GLU -3.09 -0.60 1 11 ARG -1.72 -0.81 1 12 ASP 2.57 -1.02 1 14 ASN -2.75 -1.43 1 15 ALA -4.43 -2.21 1 16 VAL -1.92 -0.61 1 18 ASN -4.64 -0.18 1 19 LEU -7.79 -3.62 1 20 LEU -6.53 -1.44 1 21 PHE -3.22 -2.76 1 22 SER -4.49 -0.73 1 23 LEU -1.34 -0.61 1 24 ARG -0.00 0.69 1 26 THR -1.89 -1.19 1 29 SER 0.11 -0.62 1 30 SER -2.03 -0.20 1 32 SER 7.19 2.24 1 33 ARG 4.06 2.09 1 34 ALA 3.82 1.16 1 35 VAL 6.20 1.78 1 36 LYS 3.00 1.90 1 37 VAL 6.91 1.42 1 38 PHE 6.48 2.18 1 40 THR 5.56 0.37 1 41 PHE 1.20 -2.66 1 42 GLU 3.86 0.55 1 44 LYS -1.76 -0.60 1 45 ILE 2.20 -0.55 1 46 HIS -1.37 1.75 1 47 HIS -4.28 -2.46 1 48 LEU -5.24 -3.26 1 50 THR -3.81 0.42 1 51 ARG -3.05 -1.77 1 53 ALA -0.54 -0.65 1 54 GLN 1.25 0.00 1 55 ARG -0.39 -0.94 1 57 LEU 0.00 -0.56 1 58 ALA 0.63 0.49 1 60 SER -0.04 -1.04 1 62 HIS -1.96 -0.22 1 63 LEU -2.77 -1.54 1 64 GLU -4.84 -3.29 1 65 TYR -1.14 -3.22 1 66 PHE -4.00 -1.77 1 67 VAL -6.17 -3.67 1 68 ARG -3.61 0.07 1 69 PHE -4.94 -5.56 1 70 GLU -9.91 -1.79 1 71 VAL -6.33 -4.30 1 73 SER 5.53 2.75 1 75 ASP -1.26 -0.81 1 76 LEU 4.66 -0.61 1 77 ALA 5.13 2.36 1 78 ALA 2.94 2.20 1 79 LEU 5.66 1.10 1 80 LEU 3.73 1.62 1 81 SER 4.82 2.34 1 82 SER 4.77 2.75 1 83 VAL 5.95 2.30 1 84 ARG 3.97 0.59 1 85 ARG 2.02 1.37 1 86 VAL -1.56 -2.11 1 87 SER -1.89 -2.13 1 88 ASP -3.00 -0.90 1 89 ASP 0.57 -1.96 1 90 VAL 1.09 0.38 1 91 ARG -2.78 -2.22 1 92 SER 0.39 -0.98 1 stop_ save_