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 bmr26986_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.42 _LACS_plot.Line_1_terminator_val_y_1 -2.99 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.64 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.41 _LACS_plot.Line_2_terminator_val_x_2 9.38 _LACS_plot.Line_2_terminator_val_y_2 6.49 _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 29 TRP -3.41 -4.33 0 53 TYR -9.42 -2.11 0 10 GLU 1.22 2.13 1 11 PHE 4.96 3.06 1 12 ASP 4.02 3.18 1 13 SER 3.50 2.66 1 14 ALA 2.81 2.42 1 15 ILE 3.62 2.52 1 16 ALA 0.12 -0.43 1 17 GLN -3.65 0.49 1 18 ASP 1.00 -1.28 1 19 LYS -2.61 -1.54 1 20 LEU 1.37 0.55 1 21 VAL -1.86 -0.67 1 22 VAL -1.13 -0.75 1 23 VAL -2.12 -0.67 1 24 ASP -1.68 -1.15 1 25 PHE 0.82 0.68 1 26 TYR -7.00 -2.73 1 27 ALA -5.39 -2.30 1 28 THR 4.41 3.69 1 34 LYS 3.71 2.84 1 35 MET 3.07 2.10 1 36 ILE -0.86 -0.64 1 37 ALA 9.38 6.64 1 39 MET 3.91 2.62 1 40 ILE 5.99 2.43 1 41 GLU 4.30 3.07 1 42 LYS 4.72 2.90 1 43 PHE 3.53 1.13 1 44 SER 4.32 2.27 1 45 GLU 0.94 0.75 1 46 GLN 0.51 3.10 1 47 TYR 0.81 1.79 1 49 GLN 2.46 0.66 1 50 ALA -5.38 -2.28 1 51 ASP -4.37 -1.14 1 52 PHE -2.65 -0.98 1 54 LYS -4.52 -2.29 1 55 LEU -3.10 0.52 1 56 ASP -0.98 -2.10 1 57 VAL 4.25 2.38 1 58 ASP 2.67 1.96 1 59 GLU -0.81 0.68 1 60 LEU -1.95 -2.85 1 62 ASP 4.42 2.39 1 63 VAL 4.98 3.22 1 64 ALA 4.90 3.46 1 65 GLN 4.65 3.44 1 66 LYS 3.59 2.62 1 67 ASN -0.14 0.91 1 68 GLU 3.56 0.35 1 69 VAL 2.86 0.91 1 70 SER -1.46 -0.36 1 71 ALA -2.56 -0.75 1 72 MET -4.64 -1.65 1 74 THR -1.46 1.90 1 75 LEU -3.61 -2.23 1 76 LEU -5.58 -1.76 1 77 LEU -0.89 -0.58 1 78 PHE -6.21 -1.31 1 79 LYS -1.94 1.38 1 80 ASN 2.80 1.36 1 82 LYS -4.30 -2.10 1 83 GLU -0.25 0.28 1 84 VAL -1.16 -1.08 1 85 ALA -2.69 0.13 1 86 LYS -3.01 -0.48 1 87 VAL -1.73 -0.61 1 88 VAL -0.26 -0.34 1 90 ALA -0.42 -1.79 1 91 ASN -0.88 -0.80 1 93 ALA 3.98 2.70 1 94 ALA 2.52 2.03 1 95 ILE 5.73 5.20 1 96 LYS 4.95 3.89 1 97 GLN 4.14 2.92 1 98 ALA 3.68 2.27 1 99 ILE 5.16 4.36 1 100 ALA 3.53 2.51 1 101 ALA 1.48 1.23 1 102 ASN -2.98 1.01 1 103 ALA 2.93 2.32 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26986_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.42 _LACS_plot.Line_1_terminator_val_y_1 6.43 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.36 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.59 _LACS_plot.Line_2_terminator_val_x_2 9.38 _LACS_plot.Line_2_terminator_val_y_2 -2.89 _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 29 TRP -3.41 -0.92 0 53 TYR -9.42 7.31 0 10 GLU 1.22 0.91 1 11 PHE 4.96 -1.90 1 12 ASP 4.02 -0.84 1 13 SER 3.50 -0.84 1 14 ALA 2.81 -0.39 1 15 ILE 3.62 -1.10 1 16 ALA 0.12 -0.55 1 17 GLN -3.65 4.14 1 18 ASP 1.00 -2.28 1 19 LYS -2.61 1.07 1 20 LEU 1.37 -0.82 1 21 VAL -1.86 1.19 1 22 VAL -1.13 0.38 1 23 VAL -2.12 1.45 1 24 ASP -1.68 0.53 1 25 PHE 0.82 -0.14 1 26 TYR -7.00 4.27 1 27 ALA -5.39 3.09 1 28 THR 4.41 -0.72 1 34 LYS 3.71 -0.87 1 35 MET 3.07 -0.97 1 36 ILE -0.86 0.22 1 37 ALA 9.38 -2.74 1 39 MET 3.91 -1.29 1 40 ILE 5.99 -3.56 1 41 GLU 4.30 -1.23 1 42 LYS 4.72 -1.82 1 43 PHE 3.53 -2.40 1 44 SER 4.32 -2.05 1 45 GLU 0.94 -0.19 1 46 GLN 0.51 2.59 1 47 TYR 0.81 0.98 1 49 GLN 2.46 -1.80 1 50 ALA -5.38 3.10 1 51 ASP -4.37 3.23 1 52 PHE -2.65 1.67 1 54 LYS -4.52 2.23 1 55 LEU -3.10 3.62 1 56 ASP -0.98 -1.12 1 57 VAL 4.25 -1.87 1 58 ASP 2.67 -0.71 1 59 GLU -0.81 1.49 1 60 LEU -1.95 -0.90 1 62 ASP 4.42 -2.03 1 63 VAL 4.98 -1.76 1 64 ALA 4.90 -1.44 1 65 GLN 4.65 -1.21 1 66 LYS 3.59 -0.97 1 67 ASN -0.14 1.05 1 68 GLU 3.56 -3.21 1 69 VAL 2.86 -1.95 1 70 SER -1.46 1.10 1 71 ALA -2.56 1.81 1 72 MET -4.64 2.99 1 74 THR -1.46 3.36 1 75 LEU -3.61 1.38 1 76 LEU -5.58 3.82 1 77 LEU -0.89 0.31 1 78 PHE -6.21 4.90 1 79 LYS -1.94 3.32 1 80 ASN 2.80 -1.44 1 82 LYS -4.30 2.20 1 83 GLU -0.25 0.53 1 84 VAL -1.16 0.08 1 85 ALA -2.69 2.82 1 86 LYS -3.01 2.53 1 87 VAL -1.73 1.12 1 88 VAL -0.26 -0.08 1 90 ALA -0.42 -1.37 1 91 ASN -0.88 0.08 1 93 ALA 3.98 -1.28 1 94 ALA 2.52 -0.49 1 95 ILE 5.73 -0.53 1 96 LYS 4.95 -1.06 1 97 GLN 4.14 -1.22 1 98 ALA 3.68 -1.41 1 99 ILE 5.16 -0.80 1 100 ALA 3.53 -1.02 1 101 ALA 1.48 -0.25 1 102 ASN -2.98 3.99 1 103 ALA 2.93 -0.61 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26986_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -9.42 _LACS_plot.Line_1_terminator_val_y_1 1.18 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.12 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.33 _LACS_plot.Line_2_terminator_val_x_2 9.38 _LACS_plot.Line_2_terminator_val_y_2 -0.93 _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 72 MET -4.64 -0.72 0 10 GLU 1.22 -0.32 1 11 PHE 4.96 0.45 1 12 ASP 4.02 -0.66 1 13 SER 3.50 -0.30 1 14 ALA 2.81 -0.19 1 15 ILE 3.62 -0.33 1 16 ALA 0.12 -0.19 1 17 GLN -3.65 -0.19 1 18 ASP 1.00 0.19 1 19 LYS -2.61 0.18 1 20 LEU 1.37 0.49 1 21 VAL -1.86 0.77 1 22 VAL -1.13 0.47 1 23 VAL -2.12 0.71 1 24 ASP -1.68 0.56 1 25 PHE 0.82 0.62 1 26 TYR -7.00 0.68 1 27 ALA -5.39 0.04 1 28 THR 4.41 -0.27 1 29 TRP -3.41 0.08 1 34 LYS 3.71 -0.32 1 35 MET 3.07 -0.16 1 36 ILE -0.86 0.29 1 37 ALA 9.38 -0.49 1 39 MET 3.91 -0.51 1 40 ILE 5.99 -0.48 1 41 GLU 4.30 -0.68 1 42 LYS 4.72 -0.22 1 43 PHE 3.53 0.12 1 44 SER 4.32 -1.35 1 45 GLU 0.94 -0.20 1 46 GLN 0.51 -0.18 1 47 TYR 0.81 -0.31 1 49 GLN 2.46 0.15 1 50 ALA -5.38 0.87 1 51 ASP -4.37 0.58 1 52 PHE -2.65 0.64 1 53 TYR -9.42 1.11 1 54 LYS -4.52 1.25 1 55 LEU -3.10 0.24 1 56 ASP -0.98 -0.70 1 57 VAL 4.25 -0.56 1 58 ASP 2.67 0.19 1 59 GLU -0.81 0.11 1 60 LEU -1.95 0.71 1 62 ASP 4.42 -0.23 1 63 VAL 4.98 -0.68 1 64 ALA 4.90 -0.40 1 65 GLN 4.65 -0.21 1 66 LYS 3.59 -0.16 1 67 ASN -0.14 0.06 1 68 GLU 3.56 -0.52 1 69 VAL 2.86 -0.11 1 70 SER -1.46 0.11 1 71 ALA -2.56 0.30 1 74 THR -1.46 0.71 1 75 LEU -3.61 1.36 1 76 LEU -5.58 0.69 1 77 LEU -0.89 1.07 1 78 PHE -6.21 0.89 1 79 LYS -1.94 0.66 1 80 ASN 2.80 -0.35 1 82 LYS -4.30 0.54 1 83 GLU -0.25 -0.33 1 84 VAL -1.16 0.42 1 85 ALA -2.69 0.20 1 86 LYS -3.01 0.77 1 87 VAL -1.73 0.26 1 88 VAL -0.26 0.49 1 90 ALA -0.42 -0.05 1 91 ASN -0.88 -0.42 1 93 ALA 3.98 -0.07 1 94 ALA 2.52 -0.12 1 95 ILE 5.73 -0.67 1 96 LYS 4.95 -1.04 1 97 GLN 4.14 -0.36 1 98 ALA 3.68 -0.26 1 99 ILE 5.16 -1.02 1 100 ALA 3.53 -0.30 1 101 ALA 1.48 -0.14 1 102 ASN -2.98 0.17 1 103 ALA 2.93 -0.49 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26986_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -9.42 _LACS_plot.Line_1_terminator_val_y_1 -4.23 _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 -1.39 _LACS_plot.Line_2_terminator_val_x_2 5.98 _LACS_plot.Line_2_terminator_val_y_2 2.13 _LACS_plot.Y_axis_chem_shift_offset 0.47 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 27 ALA -5.39 1.71 0 53 TYR -9.42 -1.27 0 10 GLU 1.22 2.31 1 11 PHE 4.96 1.49 1 12 ASP 4.02 2.59 1 13 SER 3.50 1.78 1 14 ALA 2.81 2.74 1 15 ILE 3.62 -0.32 1 16 ALA 0.12 -0.51 1 17 GLN -3.65 -0.47 1 18 ASP 1.00 -0.94 1 19 LYS -2.61 -3.43 1 20 LEU 1.37 -3.12 1 21 VAL -1.86 -1.80 1 22 VAL -1.13 -1.36 1 23 VAL -2.12 -2.58 1 24 ASP -1.68 -1.22 1 25 PHE 0.82 -2.22 1 26 TYR -7.00 -4.79 1 28 THR 4.41 0.14 1 34 LYS 3.71 -1.20 1 35 MET 3.07 1.61 1 36 ILE -0.86 0.58 1 39 MET 3.91 -1.26 1 40 ILE 5.99 1.50 1 41 GLU 4.30 3.58 1 42 LYS 4.72 3.35 1 43 PHE 3.53 2.09 1 44 SER 4.32 0.88 1 45 GLU 0.94 1.18 1 46 GLN 0.51 2.80 1 49 GLN 2.46 -1.07 1 50 ALA -5.38 -2.62 1 51 ASP -4.37 -1.67 1 52 PHE -2.65 -1.14 1 54 LYS -4.52 -3.25 1 55 LEU -3.10 -5.78 1 56 ASP -0.98 2.03 1 57 VAL 4.25 -0.05 1 58 ASP 2.67 1.43 1 59 GLU -0.81 0.56 1 60 LEU -1.95 -0.47 1 62 ASP 4.42 3.93 1 63 VAL 4.98 3.01 1 64 ALA 4.90 0.79 1 65 GLN 4.65 4.58 1 66 LYS 3.59 0.41 1 67 ASN -0.14 -3.63 1 68 GLU 3.56 -0.91 1 69 VAL 2.86 -0.77 1 70 SER -1.46 -1.61 1 71 ALA -2.56 -2.31 1 74 THR -1.46 -3.64 1 75 LEU -3.61 -2.22 1 76 LEU -5.58 -3.24 1 77 LEU -0.89 -2.52 1 78 PHE -6.21 -1.32 1 79 LYS -1.94 1.14 1 80 ASN 2.80 0.18 1 82 LYS -4.30 -1.72 1 83 GLU -0.25 0.67 1 84 VAL -1.16 -0.64 1 85 ALA -2.69 -4.05 1 86 LYS -3.01 -1.46 1 87 VAL -1.73 -1.83 1 88 VAL -0.26 0.09 1 90 ALA -0.42 -2.78 1 93 ALA 3.98 2.07 1 94 ALA 2.52 3.09 1 95 ILE 5.73 -0.14 1 96 LYS 4.95 1.30 1 97 GLN 4.14 1.99 1 98 ALA 3.68 1.85 1 99 ILE 5.16 0.60 1 100 ALA 3.53 2.64 1 101 ALA 1.48 0.47 1 102 ASN -2.98 -2.42 1 stop_ save_