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 bmr11310_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.19 _LACS_plot.Line_1_terminator_val_y_1 -2.41 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.59 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.26 _LACS_plot.Line_2_terminator_val_x_2 6.83 _LACS_plot.Line_2_terminator_val_y_2 5.08 _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 47 ILE 6.48 5.66 0 57 ALA -6.41 -1.25 0 10 TYR -0.50 -0.33 1 11 VAL -0.89 -0.36 1 12 ASP 0.13 0.04 1 13 LEU 0.01 0.21 1 15 ASN -5.47 -0.95 1 16 ARG -2.90 -1.83 1 17 GLN -4.77 -1.92 1 18 LEU -6.02 -1.69 1 19 LYS -2.88 -0.55 1 20 VAL -3.40 -1.02 1 21 LYS 1.25 1.19 1 22 VAL -6.25 -3.88 1 23 ALA 2.10 1.73 1 24 ASP -2.12 -1.08 1 25 ARG 3.87 2.47 1 26 ARG 2.45 1.30 1 27 VAL 2.71 1.81 1 28 ILE -2.37 -1.40 1 29 SER -3.51 -1.54 1 30 THR -3.27 -1.24 1 31 THR -1.54 -1.31 1 33 ALA 1.33 1.20 1 34 GLU 0.20 0.13 1 35 ARG 1.56 0.68 1 36 GLN 0.01 -0.01 1 37 ALA -0.33 -0.05 1 39 THR -1.37 -1.34 1 43 LEU 4.45 3.38 1 44 GLN 4.38 2.96 1 45 GLU 4.68 3.77 1 46 ALA 2.58 2.46 1 48 ASN 4.29 2.59 1 49 ASP 3.28 3.07 1 50 LEU 1.99 2.68 1 51 VAL 5.03 4.33 1 52 LYS 2.27 1.97 1 53 LYS 2.35 1.30 1 54 TYR -3.78 -0.75 1 55 THR 2.19 2.05 1 56 LEU 2.33 0.43 1 58 ARG -3.89 -0.06 1 59 ALA -5.07 -1.00 1 60 PHE -4.13 -1.42 1 61 VAL -4.39 -3.28 1 62 ARG -4.06 -1.06 1 64 SER -0.26 -0.68 1 66 THR -0.52 0.19 1 67 GLU -5.46 -1.87 1 68 ASP 1.78 0.60 1 69 ILE -7.19 -2.65 1 70 VAL -2.64 -1.01 1 71 ARG -0.79 -0.26 1 72 VAL -1.95 -0.61 1 73 TYR -4.38 -1.37 1 74 ALA -6.48 -2.04 1 75 GLU -6.57 -2.94 1 76 ALA -2.39 -0.76 1 77 ASN 2.64 1.93 1 78 SER -5.79 -2.61 1 79 GLN 2.91 2.59 1 80 GLU 4.31 3.47 1 81 SER 4.22 3.78 1 82 ALA 5.58 3.29 1 83 ASP 4.36 3.26 1 84 ARG 4.30 3.36 1 85 LEU 5.13 2.54 1 86 ALA 4.71 3.08 1 87 TYR 4.19 3.00 1 88 GLU 3.58 3.91 1 89 VAL 6.38 4.47 1 90 SER 6.83 4.95 1 91 LEU 3.72 2.84 1 92 LEU 2.55 2.71 1 93 VAL 6.04 4.63 1 94 PHE 3.99 4.41 1 95 GLN 2.55 2.92 1 96 LEU -0.02 0.88 1 97 ALA -2.31 -2.22 1 100 ILE -4.71 -1.73 1 102 GLU -0.86 -0.32 1 103 ARG 0.90 0.42 1 105 GLN -2.12 -0.87 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11310_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.19 _LACS_plot.Line_1_terminator_val_y_1 4.78 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.41 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.74 _LACS_plot.Line_2_terminator_val_x_2 6.83 _LACS_plot.Line_2_terminator_val_y_2 -1.75 _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 47 ILE 6.48 -0.82 0 57 ALA -6.41 5.16 0 10 TYR -0.50 0.17 1 11 VAL -0.89 0.53 1 12 ASP 0.13 -0.09 1 13 LEU 0.01 0.20 1 15 ASN -5.47 4.52 1 16 ARG -2.90 1.07 1 17 GLN -4.77 2.85 1 18 LEU -6.02 4.33 1 19 LYS -2.88 2.33 1 20 VAL -3.40 2.38 1 21 LYS 1.25 -0.06 1 22 VAL -6.25 2.37 1 23 ALA 2.10 -0.37 1 24 ASP -2.12 1.04 1 25 ARG 3.87 -1.40 1 26 ARG 2.45 -1.15 1 27 VAL 2.71 -0.90 1 28 ILE -2.37 0.97 1 29 SER -3.51 1.97 1 30 THR -3.27 2.03 1 31 THR -1.54 0.23 1 33 ALA 1.33 -0.13 1 34 GLU 0.20 -0.07 1 35 ARG 1.56 -0.88 1 36 GLN 0.01 -0.02 1 37 ALA -0.33 0.28 1 39 THR -1.37 0.03 1 43 LEU 4.45 -1.07 1 44 GLN 4.38 -1.42 1 45 GLU 4.68 -0.91 1 46 ALA 2.58 -0.12 1 48 ASN 4.29 -1.70 1 49 ASP 3.28 -0.21 1 50 LEU 1.99 0.69 1 51 VAL 5.03 -0.70 1 52 LYS 2.27 -0.30 1 53 LYS 2.35 -1.05 1 54 TYR -3.78 3.03 1 55 THR 2.19 -0.14 1 56 LEU 2.33 -1.90 1 58 ARG -3.89 3.83 1 59 ALA -5.07 4.07 1 60 PHE -4.13 2.71 1 61 VAL -4.39 1.11 1 62 ARG -4.06 3.00 1 64 SER -0.26 -0.42 1 66 THR -0.52 0.71 1 67 GLU -5.46 3.59 1 68 ASP 1.78 -1.18 1 69 ILE -7.19 4.54 1 70 VAL -2.64 1.63 1 71 ARG -0.79 0.53 1 72 VAL -1.95 1.34 1 73 TYR -4.38 3.01 1 74 ALA -6.48 4.44 1 75 GLU -6.57 3.63 1 76 ALA -2.39 1.63 1 77 ASN 2.64 -0.71 1 78 SER -5.79 3.18 1 79 GLN 2.91 -0.32 1 80 GLU 4.31 -0.84 1 81 SER 4.22 -0.44 1 82 ALA 5.58 -2.29 1 83 ASP 4.36 -1.10 1 84 ARG 4.30 -0.94 1 85 LEU 5.13 -2.59 1 86 ALA 4.71 -1.63 1 87 TYR 4.19 -1.19 1 88 GLU 3.58 0.33 1 89 VAL 6.38 -1.91 1 90 SER 6.83 -1.88 1 91 LEU 3.72 -0.88 1 92 LEU 2.55 0.16 1 93 VAL 6.04 -1.41 1 94 PHE 3.99 0.42 1 95 GLN 2.55 0.37 1 96 LEU -0.02 0.90 1 97 ALA -2.31 0.09 1 100 ILE -4.71 2.98 1 102 GLU -0.86 0.54 1 103 ARG 0.90 -0.48 1 105 GLN -2.12 1.25 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11310_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.19 _LACS_plot.Line_1_terminator_val_y_1 0.82 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.17 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.23 _LACS_plot.Line_2_terminator_val_x_2 6.83 _LACS_plot.Line_2_terminator_val_y_2 -0.66 _LACS_plot.Y_axis_chem_shift_offset -0.04 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 103 ARG 0.90 -1.39 0 10 TYR -0.50 0.11 1 11 VAL -0.89 0.02 1 12 ASP 0.13 -0.04 1 13 LEU 0.01 -0.08 1 15 ASN -5.47 0.71 1 16 ARG -2.90 0.10 1 17 GLN -4.77 1.44 1 18 LEU -6.02 0.56 1 19 LYS -2.88 0.74 1 20 VAL -3.40 0.26 1 21 LYS 1.25 0.34 1 22 VAL -6.25 0.81 1 23 ALA 2.10 -0.24 1 24 ASP -2.12 -0.01 1 25 ARG 3.87 -0.37 1 26 ARG 2.45 -0.14 1 27 VAL 2.71 -0.24 1 28 ILE -2.37 0.51 1 29 SER -3.51 0.44 1 30 THR -3.27 0.44 1 31 THR -1.54 0.29 1 33 ALA 1.33 -0.25 1 34 GLU 0.20 -0.09 1 35 ARG 1.56 -0.09 1 36 GLN 0.01 0.02 1 37 ALA -0.33 0.16 1 39 THR -1.37 -0.23 1 43 LEU 4.45 -0.21 1 44 GLN 4.38 -0.49 1 45 GLU 4.68 -0.35 1 46 ALA 2.58 -0.02 1 47 ILE 6.48 -0.71 1 48 ASN 4.29 -0.31 1 49 ASP 3.28 -0.15 1 50 LEU 1.99 -0.14 1 51 VAL 5.03 -0.51 1 52 LYS 2.27 -0.05 1 53 LYS 2.35 -0.23 1 54 TYR -3.78 0.19 1 55 THR 2.19 -0.06 1 56 LEU 2.33 -0.39 1 57 ALA -6.41 1.05 1 58 ARG -3.89 0.17 1 59 ALA -5.07 1.19 1 60 PHE -4.13 0.61 1 61 VAL -4.39 1.12 1 62 ARG -4.06 0.43 1 64 SER -0.26 0.10 1 66 THR -0.52 0.17 1 67 GLU -5.46 0.32 1 68 ASP 1.78 0.31 1 69 ILE -7.19 0.87 1 70 VAL -2.64 0.19 1 71 ARG -0.79 0.60 1 72 VAL -1.95 0.30 1 73 TYR -4.38 0.49 1 74 ALA -6.48 0.83 1 75 GLU -6.57 0.89 1 76 ALA -2.39 0.36 1 77 ASN 2.64 -0.30 1 78 SER -5.79 0.42 1 79 GLN 2.91 -0.61 1 80 GLU 4.31 -0.23 1 81 SER 4.22 -0.25 1 82 ALA 5.58 -0.88 1 83 ASP 4.36 -0.62 1 84 ARG 4.30 -0.20 1 85 LEU 5.13 -0.24 1 86 ALA 4.71 -0.75 1 87 TYR 4.19 -0.51 1 88 GLU 3.58 -0.85 1 89 VAL 6.38 -0.65 1 90 SER 6.83 -0.55 1 91 LEU 3.72 -0.37 1 92 LEU 2.55 -0.20 1 93 VAL 6.04 -0.83 1 94 PHE 3.99 -0.97 1 95 GLN 2.55 -0.15 1 96 LEU -0.02 0.23 1 97 ALA -2.31 0.43 1 100 ILE -4.71 0.39 1 102 GLU -0.86 -0.12 1 105 GLN -2.12 0.06 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11310_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.19 _LACS_plot.Line_1_terminator_val_y_1 -2.54 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.55 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.86 _LACS_plot.Line_2_terminator_val_x_2 6.83 _LACS_plot.Line_2_terminator_val_y_2 2.04 _LACS_plot.Y_axis_chem_shift_offset 0.16 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 46 ALA 2.58 3.51 0 88 GLU 3.58 3.81 0 56 LEU 2.33 -2.56 0 10 TYR -0.50 -0.57 1 11 VAL -0.89 -1.32 1 12 ASP 0.13 -0.68 1 15 ASN -5.47 -1.26 1 16 ARG -2.90 -3.61 1 17 GLN -4.77 -0.89 1 18 LEU -6.02 -1.95 1 19 LYS -2.88 -1.12 1 20 VAL -3.40 -1.26 1 21 LYS 1.25 -0.66 1 22 VAL -6.25 -1.34 1 23 ALA 2.10 0.78 1 24 ASP -2.12 1.06 1 25 ARG 3.87 -0.48 1 26 ARG 2.45 0.92 1 27 VAL 2.71 -0.40 1 28 ILE -2.37 -2.77 1 29 SER -3.51 -0.40 1 30 THR -3.27 -0.05 1 33 ALA 1.33 0.57 1 34 GLU 0.20 -0.01 1 35 ARG 1.56 -0.39 1 36 GLN 0.01 -0.52 1 37 ALA -0.33 -0.43 1 44 GLN 4.38 2.10 1 45 GLU 4.68 1.80 1 47 ILE 6.48 1.15 1 48 ASN 4.29 3.26 1 49 ASP 3.28 1.94 1 50 LEU 1.99 1.87 1 51 VAL 5.03 1.70 1 52 LYS 2.27 0.88 1 53 LYS 2.35 -0.51 1 54 TYR -3.78 -1.31 1 55 THR 2.19 -1.27 1 57 ALA -6.41 -0.27 1 58 ARG -3.89 -2.83 1 59 ALA -5.07 -2.64 1 60 PHE -4.13 -2.00 1 61 VAL -4.39 -1.49 1 62 ARG -4.06 -0.26 1 64 SER -0.26 0.63 1 66 THR -0.52 -0.97 1 67 GLU -5.46 -1.05 1 68 ASP 1.78 -1.19 1 69 ILE -7.19 -1.80 1 70 VAL -2.64 -1.61 1 71 ARG -0.79 -1.15 1 72 VAL -1.95 -2.98 1 73 TYR -4.38 -2.55 1 74 ALA -6.48 -3.52 1 75 GLU -6.57 -2.71 1 76 ALA -2.39 -3.16 1 77 ASN 2.64 -0.90 1 78 SER -5.79 -0.80 1 79 GLN 2.91 1.09 1 80 GLU 4.31 3.16 1 81 SER 4.22 -0.40 1 82 ALA 5.58 0.63 1 83 ASP 4.36 3.11 1 84 ARG 4.30 1.42 1 85 LEU 5.13 0.69 1 86 ALA 4.71 2.23 1 87 TYR 4.19 1.64 1 89 VAL 6.38 1.58 1 90 SER 6.83 1.19 1 91 LEU 3.72 1.70 1 92 LEU 2.55 1.69 1 93 VAL 6.04 1.02 1 94 PHE 3.99 1.80 1 95 GLN 2.55 2.61 1 96 LEU -0.02 0.28 1 97 ALA -2.31 -1.27 1 100 ILE -4.71 -1.15 1 102 GLU -0.86 -0.19 1 103 ARG 0.90 -0.21 1 105 GLN -2.12 -0.50 1 stop_ save_