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 bmr11320_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.82 _LACS_plot.Line_1_terminator_val_y_1 -2.39 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.52 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.48 _LACS_plot.Line_2_terminator_val_x_2 7.61 _LACS_plot.Line_2_terminator_val_y_2 5.81 _LACS_plot.Y_axis_chem_shift_offset 0.05 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 10 ILE 0.37 -2.92 0 11 ARG -2.58 -0.70 1 12 VAL -1.12 -1.28 1 13 PHE 0.17 0.39 1 14 ILE -6.82 -2.11 1 15 ALA -4.44 -1.48 1 16 SER 2.02 0.97 1 17 SER -0.38 -0.67 1 18 SER 1.54 1.60 1 20 PHE -0.20 -0.79 1 21 VAL 4.85 3.74 1 22 ALA 2.82 2.52 1 23 ILE 3.79 2.84 1 24 LYS 5.12 3.92 1 25 LYS 4.07 3.29 1 26 LYS 3.17 3.69 1 27 GLN 6.12 4.16 1 28 GLN 3.68 2.99 1 29 ASP 2.96 3.49 1 30 VAL 5.15 3.90 1 31 VAL 6.28 4.97 1 32 ARG 4.10 3.22 1 33 PHE 4.70 4.54 1 34 LEU 5.83 3.54 1 35 GLU 2.34 2.80 1 36 ALA 3.02 2.15 1 37 ASN -0.34 0.64 1 38 LYS 5.44 0.94 1 39 ILE -1.08 -0.63 1 40 GLU 1.35 1.10 1 41 PHE -6.51 -2.26 1 42 GLU -6.08 -2.36 1 43 GLU -3.23 -1.24 1 44 VAL -0.24 -0.64 1 45 ASP -1.00 -1.66 1 46 ILE 3.55 2.55 1 47 THR 4.42 3.19 1 48 MET -1.05 -0.65 1 49 SER -1.80 -2.51 1 50 GLU 2.89 2.26 1 51 GLU 3.80 3.35 1 52 GLN 3.32 1.90 1 53 ARG 5.30 4.79 1 54 GLN 4.23 2.48 1 55 TRP 6.09 5.55 1 56 MET 5.94 5.31 1 57 TYR 2.80 -0.08 1 58 LYS 1.72 1.54 1 59 ASN 0.28 1.33 1 60 VAL 0.42 0.73 1 63 GLU 3.76 2.14 1 64 LYS -2.23 -2.46 1 65 LYS 0.67 0.62 1 67 THR 3.66 2.78 1 68 GLN -1.70 -0.66 1 70 ASN -0.13 -0.21 1 72 LEU -2.12 -1.19 1 75 GLN -3.01 -0.96 1 76 ILE -0.58 1.18 1 77 PHE -5.02 -0.73 1 78 ASN 0.07 -0.89 1 80 ASP -0.02 0.05 1 81 ARG -0.67 -0.25 1 82 TYR 2.97 2.30 1 85 ASP -3.98 -3.22 1 86 TYR 6.22 6.10 1 87 ASP 4.94 3.72 1 88 SER 3.73 3.04 1 89 PHE 4.44 2.61 1 90 PHE 5.05 4.47 1 91 GLU 3.04 2.45 1 92 SER 4.34 2.58 1 93 LYS 5.30 3.32 1 94 GLU 2.53 2.27 1 95 SER -0.73 -0.58 1 96 ASN 3.25 1.49 1 97 THR -0.44 -1.35 1 98 VAL 4.86 3.37 1 99 PHE 7.61 5.25 1 100 SER 4.18 2.88 1 101 PHE 3.75 2.84 1 102 LEU -0.73 -0.07 1 104 LEU -1.99 -0.87 1 105 LYS -1.01 -0.36 1 106 SER -0.54 -0.20 1 109 SER 0.25 0.08 1 110 SER -0.06 0.09 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11320_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.82 _LACS_plot.Line_1_terminator_val_y_1 4.43 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.48 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.52 _LACS_plot.Line_2_terminator_val_x_2 7.61 _LACS_plot.Line_2_terminator_val_y_2 -1.80 _LACS_plot.Y_axis_chem_shift_offset 0.05 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 10 ILE 0.37 -3.29 0 11 ARG -2.58 1.88 1 12 VAL -1.12 -0.16 1 13 PHE 0.17 0.22 1 14 ILE -6.82 4.71 1 15 ALA -4.44 2.96 1 16 SER 2.02 -1.05 1 17 SER -0.38 -0.29 1 18 SER 1.54 0.06 1 20 PHE -0.20 -0.59 1 21 VAL 4.85 -1.11 1 22 ALA 2.82 -0.30 1 23 ILE 3.79 -0.95 1 24 LYS 5.12 -1.20 1 25 LYS 4.07 -0.78 1 26 LYS 3.17 0.52 1 27 GLN 6.12 -1.96 1 28 GLN 3.68 -0.69 1 29 ASP 2.96 0.53 1 30 VAL 5.15 -1.25 1 31 VAL 6.28 -1.31 1 32 ARG 4.10 -0.88 1 33 PHE 4.70 -0.16 1 34 LEU 5.83 -2.29 1 35 GLU 2.34 0.46 1 36 ALA 3.02 -0.87 1 37 ASN -0.34 0.98 1 38 LYS 5.44 -4.50 1 39 ILE -1.08 0.45 1 40 GLU 1.35 -0.25 1 41 PHE -6.51 4.25 1 42 GLU -6.08 3.72 1 43 GLU -3.23 1.99 1 44 VAL -0.24 -0.40 1 45 ASP -1.00 -0.66 1 46 ILE 3.55 -1.00 1 47 THR 4.42 -1.23 1 48 MET -1.05 0.40 1 49 SER -1.80 -0.71 1 50 GLU 2.89 -0.63 1 51 GLU 3.80 -0.45 1 52 GLN 3.32 -1.42 1 53 ARG 5.30 -0.51 1 54 GLN 4.23 -1.75 1 55 TRP 6.09 -0.54 1 56 MET 5.94 -0.63 1 57 TYR 2.80 -2.88 1 58 LYS 1.72 -0.18 1 59 ASN 0.28 1.05 1 60 VAL 0.42 0.31 1 63 GLU 3.76 -1.62 1 64 LYS -2.23 -0.23 1 65 LYS 0.67 -0.05 1 67 THR 3.66 -0.88 1 68 GLN -1.70 1.04 1 70 ASN -0.13 -0.08 1 72 LEU -2.12 0.93 1 75 GLN -3.01 2.05 1 76 ILE -0.58 1.76 1 77 PHE -5.02 4.29 1 78 ASN 0.07 -0.96 1 80 ASP -0.02 0.07 1 81 ARG -0.67 0.42 1 82 TYR 2.97 -0.67 1 85 ASP -3.98 0.76 1 86 TYR 6.22 -0.12 1 87 ASP 4.94 -1.22 1 88 SER 3.73 -0.69 1 89 PHE 4.44 -1.83 1 90 PHE 5.05 -0.58 1 91 GLU 3.04 -0.59 1 92 SER 4.34 -1.76 1 93 LYS 5.30 -1.98 1 94 GLU 2.53 -0.26 1 95 SER -0.73 0.15 1 96 ASN 3.25 -1.76 1 97 THR -0.44 -0.91 1 98 VAL 4.86 -1.49 1 99 PHE 7.61 -2.36 1 100 SER 4.18 -1.30 1 101 PHE 3.75 -0.91 1 102 LEU -0.73 0.66 1 104 LEU -1.99 1.12 1 105 LYS -1.01 0.65 1 106 SER -0.54 0.34 1 109 SER 0.25 -0.17 1 110 SER -0.06 0.15 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11320_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.82 _LACS_plot.Line_1_terminator_val_y_1 0.85 _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 0.31 _LACS_plot.Line_2_terminator_val_x_2 7.61 _LACS_plot.Line_2_terminator_val_y_2 -0.85 _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 89 PHE 4.44 -1.90 0 10 ILE 0.37 0.59 1 11 ARG -2.58 0.89 1 12 VAL -1.12 0.61 1 13 PHE 0.17 0.66 1 14 ILE -6.82 0.67 1 15 ALA -4.44 0.73 1 16 SER 2.02 -0.15 1 17 SER -0.38 0.07 1 18 SER 1.54 -0.24 1 20 PHE -0.20 0.20 1 21 VAL 4.85 -0.38 1 22 ALA 2.82 -0.19 1 23 ILE 3.79 -0.41 1 24 LYS 5.12 -0.37 1 25 LYS 4.07 -0.30 1 26 LYS 3.17 -0.73 1 27 GLN 6.12 -0.70 1 28 GLN 3.68 -0.30 1 29 ASP 2.96 -0.15 1 30 VAL 5.15 -1.02 1 31 VAL 6.28 -1.05 1 32 ARG 4.10 -0.17 1 33 PHE 4.70 -0.45 1 34 LEU 5.83 -0.54 1 35 GLU 2.34 -0.07 1 36 ALA 3.02 -0.22 1 37 ASN -0.34 -0.18 1 38 LYS 5.44 -0.36 1 39 ILE -1.08 -0.12 1 40 GLU 1.35 -0.07 1 41 PHE -6.51 1.33 1 42 GLU -6.08 0.04 1 43 GLU -3.23 0.65 1 44 VAL -0.24 -0.31 1 45 ASP -1.00 0.48 1 46 ILE 3.55 0.07 1 47 THR 4.42 -0.19 1 48 MET -1.05 0.13 1 49 SER -1.80 0.36 1 50 GLU 2.89 -0.18 1 51 GLU 3.80 -0.31 1 52 GLN 3.32 0.20 1 53 ARG 5.30 -0.78 1 54 GLN 4.23 -0.57 1 55 TRP 6.09 -0.87 1 56 MET 5.94 -1.29 1 57 TYR 2.80 -0.34 1 58 LYS 1.72 -0.27 1 59 ASN 0.28 -0.45 1 60 VAL 0.42 -0.90 1 63 GLU 3.76 -0.15 1 64 LYS -2.23 0.16 1 65 LYS 0.67 -0.27 1 67 THR 3.66 -0.42 1 68 GLN -1.70 0.10 1 70 ASN -0.13 -0.28 1 72 LEU -2.12 0.16 1 75 GLN -3.01 0.68 1 76 ILE -0.58 0.85 1 77 PHE -5.02 0.56 1 78 ASN 0.07 0.26 1 80 ASP -0.02 0.28 1 81 ARG -0.67 0.31 1 82 TYR 2.97 -0.93 1 85 ASP -3.98 0.44 1 86 TYR 6.22 -0.68 1 87 ASP 4.94 -0.32 1 88 SER 3.73 -0.28 1 90 PHE 5.05 -1.54 1 91 GLU 3.04 -0.56 1 92 SER 4.34 -0.60 1 93 LYS 5.30 -0.89 1 94 GLU 2.53 -0.56 1 95 SER -0.73 -0.05 1 96 ASN 3.25 -0.19 1 97 THR -0.44 0.57 1 98 VAL 4.86 -0.47 1 99 PHE 7.61 -0.50 1 100 SER 4.18 -0.01 1 101 PHE 3.75 -0.35 1 102 LEU -0.73 -0.26 1 104 LEU -1.99 0.11 1 105 LYS -1.01 0.07 1 106 SER -0.54 -0.10 1 109 SER 0.25 0.02 1 110 SER -0.06 0.01 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11320_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.82 _LACS_plot.Line_1_terminator_val_y_1 -2.50 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.72 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.70 _LACS_plot.Line_2_terminator_val_x_2 7.61 _LACS_plot.Line_2_terminator_val_y_2 2.61 _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 38 LYS 5.44 -1.33 0 35 GLU 2.34 4.60 0 10 ILE 0.37 -1.39 1 11 ARG -2.58 -1.50 1 12 VAL -1.12 -1.57 1 13 PHE 0.17 -0.26 1 14 ILE -6.82 -2.72 1 15 ALA -4.44 0.11 1 16 SER 2.02 1.26 1 17 SER -0.38 0.12 1 20 PHE -0.20 0.41 1 21 VAL 4.85 1.17 1 22 ALA 2.82 2.38 1 23 ILE 3.79 1.20 1 24 LYS 5.12 2.39 1 25 LYS 4.07 2.22 1 26 LYS 3.17 2.12 1 27 GLN 6.12 1.62 1 28 GLN 3.68 1.97 1 29 ASP 2.96 2.83 1 30 VAL 5.15 0.84 1 31 VAL 6.28 1.42 1 32 ARG 4.10 3.27 1 33 PHE 4.70 2.79 1 34 LEU 5.83 1.26 1 36 ALA 3.02 1.10 1 37 ASN -0.34 -2.92 1 39 ILE -1.08 -0.31 1 40 GLU 1.35 -0.56 1 41 PHE -6.51 -2.65 1 42 GLU -6.08 -1.67 1 43 GLU -3.23 -0.27 1 44 VAL -0.24 -2.20 1 45 ASP -1.00 2.54 1 46 ILE 3.55 0.24 1 47 THR 4.42 0.94 1 48 MET -1.05 -0.20 1 49 SER -1.80 -0.82 1 50 GLU 2.89 1.87 1 51 GLU 3.80 3.66 1 52 GLN 3.32 2.13 1 53 ARG 5.30 0.38 1 54 GLN 4.23 2.92 1 55 TRP 6.09 3.36 1 56 MET 5.94 1.44 1 57 TYR 2.80 2.45 1 58 LYS 1.72 0.88 1 59 ASN 0.28 -1.18 1 60 VAL 0.42 -1.55 1 63 GLU 3.76 0.58 1 64 LYS -2.23 -0.92 1 65 LYS 0.67 -0.84 1 67 THR 3.66 0.22 1 68 GLN -1.70 -0.70 1 70 ASN -0.13 -0.85 1 72 LEU -2.12 -0.30 1 75 GLN -3.01 -1.04 1 76 ILE -0.58 -2.76 1 77 PHE -5.02 -1.74 1 78 ASN 0.07 1.78 1 80 ASP -0.02 -0.66 1 81 ARG -0.67 -0.48 1 82 TYR 2.97 -0.01 1 85 ASP -3.98 0.05 1 86 TYR 6.22 0.48 1 87 ASP 4.94 2.86 1 88 SER 3.73 2.13 1 89 PHE 4.44 0.04 1 90 PHE 5.05 1.37 1 91 GLU 3.04 2.75 1 92 SER 4.34 0.98 1 93 LYS 5.30 3.77 1 94 GLU 2.53 1.09 1 95 SER -0.73 -0.89 1 96 ASN 3.25 0.66 1 97 THR -0.44 1.27 1 98 VAL 4.86 0.90 1 99 PHE 7.61 2.19 1 100 SER 4.18 3.57 1 101 PHE 3.75 1.02 1 102 LEU -0.73 -1.66 1 104 LEU -1.99 -0.90 1 105 LYS -1.01 -0.53 1 106 SER -0.54 -0.23 1 109 SER 0.25 0.04 1 110 SER -0.06 -0.68 1 stop_ save_