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 bmr18278_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.53 _LACS_plot.Line_1_terminator_val_y_1 -3.13 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.97 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.32 _LACS_plot.Line_2_terminator_val_x_2 6.01 _LACS_plot.Line_2_terminator_val_y_2 3.91 _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 26 HIS -6.91 -0.38 0 10 ALA 0.12 0.67 1 12 ASP 1.89 0.21 1 13 GLU 3.34 0.79 1 14 ALA -2.33 0.98 1 15 THR 2.89 0.04 1 16 TYR -2.80 -1.84 1 18 LYS -3.45 -2.54 1 19 ALA 2.38 0.94 1 21 GLN -0.98 -0.02 1 22 VAL -0.70 -0.64 1 23 ALA -3.55 -2.20 1 24 VAL 0.28 -0.97 1 25 VAL -7.08 -4.18 1 27 TYR -7.07 -1.80 1 28 THR -1.63 1.35 1 30 THR -4.78 -2.37 1 31 LEU -1.79 -1.29 1 32 ALA 3.29 2.63 1 33 ASP 0.25 -0.82 1 35 LYS 1.35 1.12 1 36 VAL 0.49 0.02 1 37 PHE -2.64 -1.63 1 38 ASP -2.32 0.60 1 39 SER -2.42 -1.64 1 40 SER 4.61 2.68 1 41 ARG 5.02 3.16 1 42 THR 4.24 2.63 1 43 ARG 0.87 1.42 1 45 LYS -3.40 -1.14 1 47 PHE -4.13 -0.71 1 48 ARG -5.13 -2.34 1 49 PHE -3.66 -1.75 1 50 THR 2.46 0.42 1 51 VAL 3.46 2.22 1 53 ARG -2.54 -1.78 1 55 GLU -0.03 0.91 1 56 VAL -7.53 -4.62 1 57 ILE 1.31 0.75 1 58 ARG 3.82 3.83 1 60 TRP 2.33 1.96 1 61 ASP 3.90 4.17 1 62 GLU 1.44 1.87 1 64 VAL 5.40 3.50 1 65 ALA 2.29 1.66 1 66 GLN -0.92 -0.21 1 67 MET -3.39 -0.40 1 68 SER -5.79 -3.67 1 69 VAL 6.02 4.80 1 71 GLN -1.19 -0.10 1 72 ARG -4.92 -2.17 1 73 ALA -5.98 -1.56 1 74 LYS -2.31 -1.47 1 75 LEU -2.98 -1.83 1 76 VAL 0.72 0.15 1 78 SER 2.86 1.65 1 80 ASP 3.68 1.94 1 81 TYR 0.67 -0.02 1 82 ALA -0.10 -0.31 1 83 TYR 1.96 1.20 1 85 SER 2.75 1.85 1 86 ARG 1.59 1.77 1 88 HIS -4.09 -0.31 1 91 VAL -0.93 2.09 1 92 ILE -4.60 -2.48 1 95 ASN 2.91 1.31 1 96 ALA -1.44 0.13 1 97 THR 1.99 1.47 1 98 LEU -5.40 -1.80 1 99 THR -0.01 0.16 1 100 PHE -5.15 -2.06 1 101 ASP -1.74 -0.87 1 102 VAL -3.36 -1.06 1 103 GLU -6.64 -2.74 1 104 LEU 0.24 -0.86 1 105 LEU 1.82 2.10 1 106 ARG -2.70 -0.44 1 107 VAL -2.67 -1.48 1 108 GLU -2.13 0.25 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18278_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.53 _LACS_plot.Line_1_terminator_val_y_1 4.40 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.03 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.68 _LACS_plot.Line_2_terminator_val_x_2 6.01 _LACS_plot.Line_2_terminator_val_y_2 -2.10 _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 26 HIS -6.91 6.53 0 10 ALA 0.12 0.55 1 12 ASP 1.89 -1.68 1 13 GLU 3.34 -2.55 1 14 ALA -2.33 3.31 1 15 THR 2.89 -2.85 1 16 TYR -2.80 0.96 1 18 LYS -3.45 0.91 1 19 ALA 2.38 -1.44 1 21 GLN -0.98 0.96 1 22 VAL -0.70 0.06 1 23 ALA -3.55 1.35 1 24 VAL 0.28 -1.25 1 25 VAL -7.08 2.90 1 27 TYR -7.07 5.27 1 28 THR -1.63 2.98 1 30 THR -4.78 2.41 1 31 LEU -1.79 0.50 1 32 ALA 3.29 -0.66 1 33 ASP 0.25 -1.07 1 35 LYS 1.35 -0.23 1 36 VAL 0.49 -0.47 1 37 PHE -2.64 1.01 1 38 ASP -2.32 2.92 1 39 SER -2.42 0.78 1 40 SER 4.61 -1.93 1 41 ARG 5.02 -1.86 1 42 THR 4.24 -1.61 1 43 ARG 0.87 0.55 1 45 LYS -3.40 2.26 1 47 PHE -4.13 3.42 1 48 ARG -5.13 2.79 1 49 PHE -3.66 1.91 1 50 THR 2.46 -2.04 1 51 VAL 3.46 -1.24 1 53 ARG -2.54 0.76 1 55 GLU -0.03 0.94 1 56 VAL -7.53 2.91 1 57 ILE 1.31 -0.56 1 58 ARG 3.82 0.01 1 60 TRP 2.33 -0.37 1 61 ASP 3.90 0.27 1 62 GLU 1.44 0.43 1 64 VAL 5.40 -1.90 1 65 ALA 2.29 -0.63 1 66 GLN -0.92 0.71 1 67 MET -3.39 2.99 1 68 SER -5.79 2.12 1 69 VAL 6.02 -1.22 1 71 GLN -1.19 1.09 1 72 ARG -4.92 2.75 1 73 ALA -5.98 4.42 1 74 LYS -2.31 0.84 1 75 LEU -2.98 1.15 1 76 VAL 0.72 -0.57 1 78 SER 2.86 -1.21 1 80 ASP 3.68 -1.74 1 81 TYR 0.67 -0.69 1 82 ALA -0.10 -0.21 1 83 TYR 1.96 -0.76 1 85 SER 2.75 -0.90 1 86 ARG 1.59 0.18 1 88 HIS -4.09 3.78 1 91 VAL -0.93 3.02 1 92 ILE -4.60 2.12 1 95 ASN 2.91 -1.60 1 96 ALA -1.44 1.57 1 97 THR 1.99 -0.52 1 98 LEU -5.40 3.60 1 99 THR -0.01 0.17 1 100 PHE -5.15 3.09 1 101 ASP -1.74 0.87 1 102 VAL -3.36 2.30 1 103 GLU -6.64 3.90 1 104 LEU 0.24 -1.10 1 105 LEU 1.82 0.28 1 106 ARG -2.70 2.26 1 107 VAL -2.67 1.19 1 108 GLU -2.13 2.38 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18278_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.53 _LACS_plot.Line_1_terminator_val_y_1 0.93 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.18 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.26 _LACS_plot.Line_2_terminator_val_x_2 6.01 _LACS_plot.Line_2_terminator_val_y_2 -0.64 _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 27 TYR -7.07 1.84 0 56 VAL -7.53 0.06 0 10 ALA 0.12 -0.23 1 12 ASP 1.89 -0.48 1 13 GLU 3.34 -0.86 1 14 ALA -2.33 0.30 1 15 THR 2.89 -0.17 1 16 TYR -2.80 0.42 1 18 LYS -3.45 0.07 1 19 ALA 2.38 -0.49 1 21 GLN -0.98 0.16 1 22 VAL -0.70 0.20 1 23 ALA -3.55 0.09 1 24 VAL 0.28 0.51 1 25 VAL -7.08 1.63 1 26 HIS -6.91 0.98 1 28 THR -1.63 0.21 1 30 THR -4.78 1.03 1 31 LEU -1.79 0.31 1 32 ALA 3.29 -0.25 1 33 ASP 0.25 -0.23 1 35 LYS 1.35 -0.27 1 36 VAL 0.49 0.23 1 37 PHE -2.64 0.39 1 38 ASP -2.32 0.08 1 39 SER -2.42 0.14 1 40 SER 4.61 -0.28 1 41 ARG 5.02 -0.80 1 42 THR 4.24 -0.44 1 43 ARG 0.87 -0.02 1 45 LYS -3.40 0.32 1 47 PHE -4.13 0.23 1 48 ARG -5.13 1.12 1 49 PHE -3.66 0.04 1 50 THR 2.46 -0.02 1 51 VAL 3.46 -0.41 1 53 ARG -2.54 0.28 1 55 GLU -0.03 -0.24 1 57 ILE 1.31 -0.37 1 58 ARG 3.82 -0.27 1 60 TRP 2.33 -0.33 1 61 ASP 3.90 0.09 1 62 GLU 1.44 -0.17 1 64 VAL 5.40 -0.36 1 65 ALA 2.29 -0.14 1 66 GLN -0.92 -0.01 1 67 MET -3.39 0.34 1 68 SER -5.79 0.41 1 69 VAL 6.02 -1.05 1 71 GLN -1.19 -0.22 1 72 ARG -4.92 1.24 1 73 ALA -5.98 0.85 1 74 LYS -2.31 1.04 1 75 LEU -2.98 0.93 1 76 VAL 0.72 0.58 1 78 SER 2.86 -0.12 1 80 ASP 3.68 -0.28 1 81 TYR 0.67 -0.21 1 82 ALA -0.10 0.06 1 83 TYR 1.96 -0.02 1 85 SER 2.75 -0.31 1 86 ARG 1.59 -0.16 1 88 HIS -4.09 0.00 1 91 VAL -0.93 0.00 1 92 ILE -4.60 0.02 1 95 ASN 2.91 -0.86 1 96 ALA -1.44 0.02 1 97 THR 1.99 0.24 1 98 LEU -5.40 0.50 1 99 THR -0.01 0.87 1 100 PHE -5.15 0.98 1 101 ASP -1.74 0.42 1 102 VAL -3.36 0.88 1 103 GLU -6.64 0.94 1 104 LEU 0.24 0.31 1 105 LEU 1.82 -0.15 1 106 ARG -2.70 0.00 1 107 VAL -2.67 0.72 1 108 GLU -2.13 -0.11 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18278_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.53 _LACS_plot.Line_1_terminator_val_y_1 -2.34 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.28 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.03 _LACS_plot.Line_2_terminator_val_x_2 6.01 _LACS_plot.Line_2_terminator_val_y_2 1.61 _LACS_plot.Y_axis_chem_shift_offset 0.32 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 108 GLU -2.13 3.88 0 26 HIS -6.91 2.39 0 10 ALA 0.12 0.90 1 12 ASP 1.89 0.25 1 13 GLU 3.34 -1.87 1 14 ALA -2.33 -0.82 1 15 THR 2.89 -2.44 1 16 TYR -2.80 -2.57 1 18 LYS -3.45 -0.89 1 19 ALA 2.38 1.56 1 21 GLN -0.98 -2.34 1 22 VAL -0.70 -1.07 1 23 ALA -3.55 -3.28 1 24 VAL 0.28 -0.11 1 25 VAL -7.08 -0.68 1 27 TYR -7.07 -1.93 1 28 THR -1.63 -1.08 1 30 THR -4.78 0.48 1 31 LEU -1.79 2.32 1 32 ALA 3.29 0.40 1 33 ASP 0.25 0.95 1 35 LYS 1.35 -0.13 1 36 VAL 0.49 0.75 1 37 PHE -2.64 -1.31 1 38 ASP -2.32 -1.99 1 39 SER -2.42 0.11 1 40 SER 4.61 2.12 1 41 ARG 5.02 3.09 1 42 THR 4.24 1.03 1 43 ARG 0.87 1.14 1 45 LYS -3.40 -2.13 1 47 PHE -4.13 -2.91 1 48 ARG -5.13 -1.77 1 49 PHE -3.66 -4.07 1 50 THR 2.46 -0.41 1 51 VAL 3.46 1.24 1 53 ARG -2.54 -0.01 1 55 GLU -0.03 -1.13 1 56 VAL -7.53 -1.14 1 57 ILE 1.31 0.75 1 58 ARG 3.82 2.63 1 60 TRP 2.33 1.15 1 61 ASP 3.90 2.50 1 62 GLU 1.44 2.81 1 64 VAL 5.40 0.90 1 65 ALA 2.29 -0.09 1 66 GLN -0.92 -0.30 1 67 MET -3.39 -4.35 1 68 SER -5.79 1.57 1 69 VAL 6.02 0.25 1 71 GLN -1.19 -1.82 1 72 ARG -4.92 -0.77 1 73 ALA -5.98 -3.37 1 74 LYS -2.31 -1.41 1 75 LEU -2.98 -1.18 1 76 VAL 0.72 0.74 1 78 SER 2.86 -0.30 1 80 ASP 3.68 0.12 1 81 TYR 0.67 -2.55 1 82 ALA -0.10 -1.86 1 83 TYR 1.96 0.66 1 85 SER 2.75 2.32 1 86 ARG 1.59 2.90 1 88 HIS -4.09 -0.02 1 91 VAL -0.93 -1.82 1 92 ILE -4.60 -0.56 1 95 ASN 2.91 -1.82 1 96 ALA -1.44 -0.76 1 97 THR 1.99 0.31 1 98 LEU -5.40 -2.54 1 99 THR -0.01 -1.51 1 100 PHE -5.15 -1.90 1 101 ASP -1.74 0.34 1 102 VAL -3.36 -3.31 1 103 GLU -6.64 -1.35 1 104 LEU 0.24 -3.02 1 105 LEU 1.82 0.19 1 106 ARG -2.70 -3.97 1 107 VAL -2.67 -1.27 1 stop_ save_