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 bmr6988_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.10 _LACS_plot.Line_1_terminator_val_y_1 -2.19 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.39 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.29 _LACS_plot.Line_2_terminator_val_x_2 7.01 _LACS_plot.Line_2_terminator_val_y_2 5.36 _LACS_plot.Y_axis_chem_shift_offset 0.03 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 76 MET 2.75 -0.31 0 26 ALA -6.10 -1.43 0 10 LYS -4.05 -0.92 1 11 LEU -2.49 -2.40 1 12 ALA -2.44 -1.81 1 13 LEU -0.87 -0.61 1 14 ASN -1.16 -1.48 1 16 LYS 3.15 2.78 1 17 THR 0.43 0.38 1 18 LEU -1.35 -0.03 1 19 LYS -3.70 -1.92 1 21 GLU -5.75 -1.76 1 22 THR -1.19 -1.13 1 23 THR -5.20 -1.75 1 24 THR 0.30 0.52 1 25 GLU -2.99 -1.66 1 27 VAL 1.90 1.17 1 28 ASP -2.64 -1.54 1 29 ALA 3.57 2.11 1 30 ALA 3.28 2.30 1 31 THR 7.01 5.15 1 32 ALA 3.78 2.38 1 33 GLU 3.68 3.16 1 34 LYS 4.23 3.57 1 35 VAL 4.93 3.86 1 36 PHE 0.99 -1.04 1 37 LYS 4.96 3.57 1 38 GLN 4.29 3.11 1 39 TYR 4.18 4.00 1 40 ALA 4.91 3.80 1 41 ASN 3.84 3.84 1 42 ASP 3.80 2.80 1 43 ASN -0.54 0.70 1 45 VAL -0.53 -0.16 1 46 ASP -3.93 -1.64 1 48 GLU -2.71 -0.95 1 49 TRP -0.41 0.39 1 50 THR -3.61 -1.13 1 51 TYR -3.70 -0.94 1 52 ASP -4.41 -2.32 1 53 ASP 1.21 2.12 1 54 ALA 3.50 2.72 1 55 THR -1.79 -1.28 1 56 LYS 4.02 1.15 1 57 THR -1.78 0.43 1 58 PHE -3.14 -0.35 1 59 THR -1.15 -0.17 1 60 VAL -3.46 -3.71 1 61 THR -1.47 -0.89 1 62 GLU -1.78 0.03 1 64 SER -0.28 -0.13 1 65 GLN 1.65 1.16 1 66 TRP -2.17 -2.40 1 67 GLN 6.05 5.02 1 69 GLN 3.62 3.06 1 70 LEU 4.43 2.93 1 71 GLN 4.68 3.86 1 72 GLN 5.50 3.52 1 73 LEU 3.93 3.42 1 74 ARG 3.82 2.81 1 75 ASP 1.14 1.01 1 78 ILE 0.03 0.21 1 79 GLN -0.98 -1.51 1 80 ASP 3.23 2.86 1 81 ASP 3.86 3.20 1 82 GLU 3.30 2.59 1 83 LEU 4.93 4.29 1 84 SER 3.85 3.25 1 85 LEU 4.39 3.78 1 86 ARG 3.12 2.74 1 87 ALA 2.82 2.15 1 88 LEU 4.39 3.05 1 89 GLN 2.56 1.92 1 90 ALA -1.27 -1.31 1 91 THR -1.58 -0.80 1 94 ASP 4.44 3.62 1 95 ILE 5.11 3.53 1 96 GLN 2.60 1.76 1 97 ALA 4.62 2.81 1 98 ALA 3.76 3.12 1 99 LEU 3.49 2.93 1 100 GLU 2.56 2.49 1 101 LEU 4.67 4.46 1 102 ILE 2.41 0.78 1 103 PHE 1.19 0.88 1 104 ALA -0.39 -0.26 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6988_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.10 _LACS_plot.Line_1_terminator_val_y_1 3.91 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.61 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.71 _LACS_plot.Line_2_terminator_val_x_2 7.01 _LACS_plot.Line_2_terminator_val_y_2 -1.65 _LACS_plot.Y_axis_chem_shift_offset 0.03 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 76 MET 2.75 -3.06 0 26 ALA -6.10 4.67 0 10 LYS -4.05 3.13 1 11 LEU -2.49 0.09 1 12 ALA -2.44 0.63 1 13 LEU -0.87 0.26 1 14 ASN -1.16 -0.32 1 16 LYS 3.15 -0.37 1 17 THR 0.43 -0.05 1 18 LEU -1.35 1.32 1 19 LYS -3.70 1.78 1 21 GLU -5.75 3.99 1 22 THR -1.19 0.06 1 23 THR -5.20 3.45 1 24 THR 0.30 0.22 1 25 GLU -2.99 1.33 1 27 VAL 1.90 -0.73 1 28 ASP -2.64 1.10 1 29 ALA 3.57 -1.46 1 30 ALA 3.28 -0.98 1 31 THR 7.01 -1.86 1 32 ALA 3.78 -1.40 1 33 GLU 3.68 -0.52 1 34 LYS 4.23 -0.66 1 35 VAL 4.93 -1.07 1 36 PHE 0.99 -2.03 1 37 LYS 4.96 -1.39 1 38 GLN 4.29 -1.18 1 39 TYR 4.18 -0.18 1 40 ALA 4.91 -1.11 1 41 ASN 3.84 0.00 1 42 ASP 3.80 -1.00 1 43 ASN -0.54 1.24 1 45 VAL -0.53 0.37 1 46 ASP -3.93 2.29 1 48 GLU -2.71 1.76 1 49 TRP -0.41 0.80 1 50 THR -3.61 2.48 1 51 TYR -3.70 2.76 1 52 ASP -4.41 2.09 1 53 ASP 1.21 0.91 1 54 ALA 3.50 -0.78 1 55 THR -1.79 0.51 1 56 LYS 4.02 -2.87 1 57 THR -1.78 2.21 1 58 PHE -3.14 2.79 1 59 THR -1.15 0.98 1 60 VAL -3.46 -0.25 1 61 THR -1.47 0.58 1 62 GLU -1.78 1.81 1 64 SER -0.28 0.15 1 65 GLN 1.65 -0.49 1 66 TRP -2.17 -0.23 1 67 GLN 6.05 -1.03 1 69 GLN 3.62 -0.56 1 70 LEU 4.43 -1.50 1 71 GLN 4.68 -0.82 1 72 GLN 5.50 -1.98 1 73 LEU 3.93 -0.51 1 74 ARG 3.82 -1.01 1 75 ASP 1.14 -0.13 1 78 ILE 0.03 0.18 1 79 GLN -0.98 -0.53 1 80 ASP 3.23 -0.37 1 81 ASP 3.86 -0.66 1 82 GLU 3.30 -0.71 1 83 LEU 4.93 -0.64 1 84 SER 3.85 -0.60 1 85 LEU 4.39 -0.61 1 86 ARG 3.12 -0.38 1 87 ALA 2.82 -0.67 1 88 LEU 4.39 -1.34 1 89 GLN 2.56 -0.64 1 90 ALA -1.27 -0.04 1 91 THR -1.58 0.78 1 94 ASP 4.44 -0.82 1 95 ILE 5.11 -1.58 1 96 GLN 2.60 -0.84 1 97 ALA 4.62 -1.81 1 98 ALA 3.76 -0.64 1 99 LEU 3.49 -0.56 1 100 GLU 2.56 -0.07 1 101 LEU 4.67 -0.21 1 102 ILE 2.41 -1.63 1 103 PHE 1.19 -0.31 1 104 ALA -0.39 0.13 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6988_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.10 _LACS_plot.Line_1_terminator_val_y_1 0.78 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.15 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.32 _LACS_plot.Line_2_terminator_val_x_2 7.01 _LACS_plot.Line_2_terminator_val_y_2 -0.70 _LACS_plot.Y_axis_chem_shift_offset -0.09 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 57 THR -1.78 1.14 0 32 ALA 3.78 -1.19 0 52 ASP -4.41 -0.05 0 23 THR -5.20 1.48 0 10 LYS -4.05 0.92 1 11 LEU -2.49 0.57 1 12 ALA -2.44 0.43 1 13 LEU -0.87 0.11 1 14 ASN -1.16 0.44 1 16 LYS 3.15 -0.26 1 17 THR 0.43 0.01 1 18 LEU -1.35 0.11 1 19 LYS -3.70 0.71 1 21 GLU -5.75 1.23 1 22 THR -1.19 0.36 1 24 THR 0.30 0.34 1 25 GLU -2.99 1.20 1 26 ALA -6.10 0.50 1 27 VAL 1.90 0.01 1 28 ASP -2.64 0.13 1 29 ALA 3.57 -0.94 1 30 ALA 3.28 -0.35 1 31 THR 7.01 -0.65 1 33 GLU 3.68 -0.38 1 34 LYS 4.23 -0.59 1 35 VAL 4.93 -0.49 1 36 PHE 0.99 0.17 1 37 LYS 4.96 -0.16 1 38 GLN 4.29 -0.28 1 39 TYR 4.18 -0.27 1 40 ALA 4.91 -0.50 1 41 ASN 3.84 -0.28 1 42 ASP 3.80 -0.27 1 43 ASN -0.54 -0.12 1 45 VAL -0.53 0.01 1 46 ASP -3.93 0.27 1 48 GLU -2.71 0.35 1 49 TRP -0.41 0.68 1 50 THR -3.61 0.47 1 51 TYR -3.70 0.45 1 53 ASP 1.21 -0.55 1 54 ALA 3.50 -0.23 1 55 THR -1.79 0.03 1 56 LYS 4.02 -0.20 1 58 PHE -3.14 1.02 1 59 THR -1.15 0.85 1 60 VAL -3.46 0.37 1 61 THR -1.47 0.35 1 62 GLU -1.78 0.12 1 64 SER -0.28 -0.09 1 65 GLN 1.65 -0.29 1 66 TRP -2.17 0.51 1 67 GLN 6.05 -0.27 1 69 GLN 3.62 -0.42 1 70 LEU 4.43 -0.53 1 71 GLN 4.68 -0.20 1 72 GLN 5.50 -0.24 1 73 LEU 3.93 0.05 1 74 ARG 3.82 -0.20 1 75 ASP 1.14 -0.02 1 76 MET 2.75 -0.12 1 78 ILE 0.03 0.10 1 79 GLN -0.98 0.09 1 80 ASP 3.23 -0.41 1 81 ASP 3.86 -0.35 1 82 GLU 3.30 -0.36 1 83 LEU 4.93 -0.69 1 84 SER 3.85 -0.42 1 85 LEU 4.39 -0.32 1 86 ARG 3.12 -0.30 1 87 ALA 2.82 -0.80 1 88 LEU 4.39 -0.43 1 89 GLN 2.56 -0.13 1 90 ALA -1.27 0.16 1 91 THR -1.58 -0.09 1 94 ASP 4.44 -0.71 1 95 ILE 5.11 -0.41 1 96 GLN 2.60 -0.18 1 97 ALA 4.62 -0.53 1 98 ALA 3.76 -0.62 1 99 LEU 3.49 -0.34 1 100 GLU 2.56 -0.22 1 101 LEU 4.67 -0.73 1 102 ILE 2.41 -0.01 1 103 PHE 1.19 0.05 1 104 ALA -0.39 -0.09 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6988_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.10 _LACS_plot.Line_1_terminator_val_y_1 -4.21 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.57 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.42 _LACS_plot.Line_2_terminator_val_x_2 7.01 _LACS_plot.Line_2_terminator_val_y_2 1.61 _LACS_plot.Y_axis_chem_shift_offset 1.50 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 73 LEU 3.93 4.20 0 10 LYS -4.05 -4.92 1 11 LEU -2.49 -4.87 1 12 ALA -2.44 -4.13 1 13 LEU -0.87 -3.73 1 14 ASN -1.16 -1.63 1 16 LYS 3.15 0.46 1 17 THR 0.43 -2.25 1 18 LEU -1.35 -5.39 1 19 LYS -3.70 -1.85 1 21 GLU -5.75 -2.57 1 22 THR -1.19 -3.99 1 23 THR -5.20 -2.04 1 24 THR 0.30 -4.93 1 25 GLU -2.99 -1.86 1 26 ALA -6.10 -2.25 1 27 VAL 1.90 -3.26 1 28 ASP -2.64 -3.11 1 29 ALA 3.57 -0.08 1 30 ALA 3.28 1.63 1 31 THR 7.01 0.03 1 32 ALA 3.78 -2.09 1 33 GLU 3.68 -0.72 1 34 LYS 4.23 1.95 1 35 VAL 4.93 2.05 1 36 PHE 0.99 1.12 1 37 LYS 4.96 1.35 1 38 GLN 4.29 -0.36 1 39 TYR 4.18 1.60 1 40 ALA 4.91 0.04 1 41 ASN 3.84 2.59 1 42 ASP 3.80 -0.62 1 43 ASN -0.54 -2.64 1 45 VAL -0.53 -3.91 1 46 ASP -3.93 -3.18 1 48 GLU -2.71 -1.21 1 49 TRP -0.41 -0.50 1 50 THR -3.61 -3.52 1 51 TYR -3.70 -4.09 1 52 ASP -4.41 -3.20 1 53 ASP 1.21 0.27 1 54 ALA 3.50 0.51 1 55 THR -1.79 -1.01 1 56 LYS 4.02 -3.25 1 57 THR -1.78 -1.15 1 58 PHE -3.14 -2.95 1 59 THR -1.15 -3.31 1 60 VAL -3.46 -3.91 1 61 THR -1.47 -1.70 1 62 GLU -1.78 -1.82 1 64 SER -0.28 -0.78 1 65 GLN 1.65 -1.95 1 66 TRP -2.17 -1.64 1 67 GLN 6.05 0.23 1 69 GLN 3.62 -0.21 1 70 LEU 4.43 0.18 1 71 GLN 4.68 1.58 1 72 GLN 5.50 0.72 1 74 ARG 3.82 0.27 1 75 ASP 1.14 -1.74 1 76 MET 2.75 -1.43 1 78 ILE 0.03 -2.29 1 79 GLN -0.98 -2.87 1 80 ASP 3.23 -0.02 1 81 ASP 3.86 0.96 1 82 GLU 3.30 -0.08 1 83 LEU 4.93 -0.17 1 84 SER 3.85 0.29 1 85 LEU 4.39 1.88 1 86 ARG 3.12 -0.24 1 87 ALA 2.82 -0.16 1 88 LEU 4.39 1.67 1 89 GLN 2.56 0.14 1 90 ALA -1.27 0.01 1 91 THR -1.58 -1.21 1 94 ASP 4.44 -1.56 1 95 ILE 5.11 1.40 1 96 GLN 2.60 1.50 1 97 ALA 4.62 -0.14 1 98 ALA 3.76 -0.63 1 99 LEU 3.49 1.34 1 100 GLU 2.56 0.69 1 101 LEU 4.67 0.99 1 102 ILE 2.41 -0.22 1 103 PHE 1.19 -0.62 1 104 ALA -0.39 -2.98 1 stop_ save_