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 bmr25885_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.40 _LACS_plot.Line_1_terminator_val_y_1 -2.45 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.91 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.37 _LACS_plot.Line_2_terminator_val_x_2 6.88 _LACS_plot.Line_2_terminator_val_y_2 5.29 _LACS_plot.Y_axis_chem_shift_offset -0.12 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 46 ILE 3.19 -1.68 0 10 ASP -0.58 -0.18 1 11 THR 0.48 -0.84 1 12 THR 6.88 6.07 1 13 TYR 0.86 0.42 1 14 THR -0.52 -0.65 1 15 LYS 0.02 0.58 1 16 ILE -1.40 0.76 1 17 PHE -1.39 -0.15 1 18 VAL -1.81 -2.37 1 21 LEU -0.66 -0.90 1 23 TYR 3.99 2.53 1 24 HIS -0.57 0.59 1 25 THR 6.37 4.20 1 26 THR -6.07 -2.53 1 27 ASP 5.29 3.97 1 28 ALA 2.99 2.54 1 29 SER 5.02 3.61 1 30 LEU 2.94 2.93 1 31 ARG 4.37 4.19 1 32 LYS 3.21 2.25 1 33 TYR 4.74 4.21 1 34 PHE 3.08 4.15 1 35 GLU 2.82 1.62 1 36 VAL 2.78 0.91 1 37 PHE 1.10 1.48 1 39 GLU -0.25 0.18 1 40 ILE -2.13 -0.45 1 41 GLU 0.27 1.23 1 42 GLU -4.84 -0.83 1 43 ALA -2.40 -0.41 1 44 VAL -6.17 -2.85 1 45 VAL -0.10 0.22 1 47 THR -4.82 -2.65 1 48 ASP -2.12 -0.32 1 49 ARG 3.48 2.59 1 50 GLN 2.40 2.55 1 51 THR -1.39 0.01 1 53 LYS -0.85 -0.33 1 54 SER -0.06 0.20 1 55 ARG 0.17 0.01 1 57 TYR -4.68 -2.85 1 59 PHE -6.40 -1.58 1 60 VAL -3.80 -1.51 1 61 THR -0.22 -0.49 1 62 MET -1.31 -2.64 1 63 ALA 1.19 1.82 1 64 ASP -4.41 -1.43 1 65 ARG 3.72 3.21 1 66 ALA 4.08 2.83 1 67 ALA 1.66 2.56 1 68 ALA 3.70 2.98 1 69 GLU 3.56 2.91 1 70 ARG 4.40 4.34 1 71 ALA 0.15 0.86 1 73 LYS 4.05 3.23 1 74 ASP -2.59 -2.68 1 76 ASN -3.30 -0.22 1 78 ILE 1.40 -1.42 1 79 ILE -1.34 -0.40 1 80 ASP 3.05 1.32 1 82 ARG -5.14 -2.46 1 83 LYS 2.60 1.27 1 84 ALA -3.42 -1.43 1 85 ASN -2.59 -0.22 1 86 VAL -4.55 -2.00 1 87 ASN -3.31 -0.01 1 88 LEU 2.27 1.80 1 89 ALA 3.38 2.39 1 90 TYR 3.00 1.29 1 91 LEU 0.20 0.00 1 93 ALA -1.35 -0.90 1 94 LYS -0.38 -0.29 1 96 ARG 0.61 0.46 1 97 ILE 0.15 -0.09 1 98 MET -0.19 -0.35 1 99 GLN -0.24 -0.06 1 102 PHE 0.01 0.13 1 103 ALA -0.56 -0.25 1 104 PHE -0.23 -0.04 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25885_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.40 _LACS_plot.Line_1_terminator_val_y_1 3.95 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.09 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.63 _LACS_plot.Line_2_terminator_val_x_2 6.88 _LACS_plot.Line_2_terminator_val_y_2 -1.59 _LACS_plot.Y_axis_chem_shift_offset -0.12 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 46 ILE 3.19 -4.87 0 10 ASP -0.58 0.40 1 11 THR 0.48 -1.32 1 12 THR 6.88 -0.81 1 13 TYR 0.86 -0.44 1 14 THR -0.52 -0.13 1 15 LYS 0.02 0.56 1 16 ILE -1.40 2.16 1 17 PHE -1.39 1.24 1 18 VAL -1.81 -0.56 1 21 LEU -0.66 -0.24 1 23 TYR 3.99 -1.46 1 24 HIS -0.57 1.16 1 25 THR 6.37 -2.17 1 26 THR -6.07 3.54 1 27 ASP 5.29 -1.32 1 28 ALA 2.99 -0.45 1 29 SER 5.02 -1.41 1 30 LEU 2.94 -0.01 1 31 ARG 4.37 -0.18 1 32 LYS 3.21 -0.96 1 33 TYR 4.74 -0.53 1 34 PHE 3.08 1.07 1 35 GLU 2.82 -1.20 1 36 VAL 2.78 -1.87 1 37 PHE 1.10 0.38 1 39 GLU -0.25 0.43 1 40 ILE -2.13 1.68 1 41 GLU 0.27 0.96 1 42 GLU -4.84 4.01 1 43 ALA -2.40 1.99 1 44 VAL -6.17 3.32 1 45 VAL -0.10 0.32 1 47 THR -4.82 2.17 1 48 ASP -2.12 1.80 1 49 ARG 3.48 -0.89 1 50 GLN 2.40 0.15 1 51 THR -1.39 1.40 1 53 LYS -0.85 0.52 1 54 SER -0.06 0.26 1 55 ARG 0.17 -0.16 1 57 TYR -4.68 1.83 1 59 PHE -6.40 4.82 1 60 VAL -3.80 2.29 1 61 THR -0.22 -0.27 1 62 MET -1.31 -1.33 1 63 ALA 1.19 0.63 1 64 ASP -4.41 2.98 1 65 ARG 3.72 -0.51 1 66 ALA 4.08 -1.25 1 67 ALA 1.66 0.90 1 68 ALA 3.70 -0.72 1 69 GLU 3.56 -0.65 1 70 ARG 4.40 -0.06 1 71 ALA 0.15 0.71 1 73 LYS 4.05 -0.82 1 74 ASP -2.59 -0.09 1 76 ASN -3.30 3.08 1 78 ILE 1.40 -2.82 1 79 ILE -1.34 0.94 1 80 ASP 3.05 -1.73 1 82 ARG -5.14 2.68 1 83 LYS 2.60 -1.33 1 84 ALA -3.42 1.99 1 85 ASN -2.59 2.37 1 86 VAL -4.55 2.55 1 87 ASN -3.31 3.30 1 88 LEU 2.27 -0.47 1 89 ALA 3.38 -0.99 1 90 TYR 3.00 -1.71 1 91 LEU 0.20 -0.20 1 93 ALA -1.35 0.45 1 94 LYS -0.38 0.09 1 96 ARG 0.61 -0.15 1 97 ILE 0.15 -0.24 1 98 MET -0.19 -0.16 1 99 GLN -0.24 0.18 1 102 PHE 0.01 0.12 1 103 ALA -0.56 0.31 1 104 PHE -0.23 0.19 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25885_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.40 _LACS_plot.Line_1_terminator_val_y_1 0.46 _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 0.12 _LACS_plot.Line_2_terminator_val_x_2 6.88 _LACS_plot.Line_2_terminator_val_y_2 -0.57 _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 71 ALA 0.15 -2.20 0 10 ASP -0.58 0.08 1 11 THR 0.48 0.29 1 12 THR 6.88 -0.91 1 13 TYR 0.86 0.22 1 14 THR -0.52 0.06 1 15 LYS 0.02 0.65 1 16 ILE -1.40 0.05 1 17 PHE -1.39 0.05 1 18 VAL -1.81 0.34 1 21 LEU -0.66 -0.51 1 23 TYR 3.99 -0.41 1 24 HIS -0.57 -0.06 1 25 THR 6.37 -0.42 1 26 THR -6.07 0.39 1 27 ASP 5.29 -0.74 1 28 ALA 2.99 -0.18 1 29 SER 5.02 -0.17 1 30 LEU 2.94 -0.20 1 31 ARG 4.37 -0.57 1 32 LYS 3.21 -0.38 1 33 TYR 4.74 -0.55 1 34 PHE 3.08 -0.23 1 35 GLU 2.82 0.14 1 36 VAL 2.78 -0.34 1 37 PHE 1.10 -0.03 1 39 GLU -0.25 -0.09 1 40 ILE -2.13 0.07 1 41 GLU 0.27 0.04 1 42 GLU -4.84 0.11 1 43 ALA -2.40 0.81 1 44 VAL -6.17 0.51 1 45 VAL -0.10 -0.27 1 46 ILE 3.19 -0.17 1 47 THR -4.82 0.45 1 48 ASP -2.12 -0.08 1 49 ARG 3.48 -0.32 1 50 GLN 2.40 -0.07 1 51 THR -1.39 0.08 1 53 LYS -0.85 -0.08 1 54 SER -0.06 -0.30 1 55 ARG 0.17 0.14 1 57 TYR -4.68 0.60 1 59 PHE -6.40 1.19 1 60 VAL -3.80 0.55 1 61 THR -0.22 0.74 1 62 MET -1.31 0.64 1 63 ALA 1.19 -0.20 1 64 ASP -4.41 0.22 1 65 ARG 3.72 -0.36 1 66 ALA 4.08 -0.11 1 67 ALA 1.66 -0.14 1 68 ALA 3.70 -0.25 1 69 GLU 3.56 -0.38 1 70 ARG 4.40 -0.38 1 73 LYS 4.05 -0.45 1 74 ASP -2.59 0.18 1 76 ASN -3.30 0.89 1 78 ILE 1.40 0.11 1 79 ILE -1.34 -0.39 1 80 ASP 3.05 -0.43 1 82 ARG -5.14 0.29 1 83 LYS 2.60 -0.18 1 84 ALA -3.42 0.34 1 85 ASN -2.59 0.74 1 86 VAL -4.55 1.24 1 87 ASN -3.31 0.14 1 88 LEU 2.27 0.12 1 89 ALA 3.38 -0.19 1 90 TYR 3.00 -0.14 1 91 LEU 0.20 -0.45 1 93 ALA -1.35 -0.52 1 94 LYS -0.38 -0.20 1 96 ARG 0.61 -0.13 1 97 ILE 0.15 -0.08 1 98 MET -0.19 -0.03 1 99 GLN -0.24 -0.05 1 102 PHE 0.01 -0.12 1 103 ALA -0.56 -0.09 1 104 PHE -0.23 -0.05 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25885_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.40 _LACS_plot.Line_1_terminator_val_y_1 -2.30 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.49 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.95 _LACS_plot.Line_2_terminator_val_x_2 6.88 _LACS_plot.Line_2_terminator_val_y_2 2.03 _LACS_plot.Y_axis_chem_shift_offset 0.23 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 59 PHE -6.40 -0.31 0 26 THR -6.07 0.18 0 27 ASP 5.29 4.47 0 10 ASP -0.58 1.23 1 11 THR 0.48 0.82 1 12 THR 6.88 0.70 1 13 TYR 0.86 -1.21 1 14 THR -0.52 -0.58 1 15 LYS 0.02 -1.53 1 16 ILE -1.40 -0.87 1 17 PHE -1.39 -3.52 1 18 VAL -1.81 -2.74 1 23 TYR 3.99 -0.73 1 24 HIS -0.57 1.97 1 25 THR 6.37 -0.06 1 28 ALA 2.99 2.80 1 29 SER 5.02 3.12 1 30 LEU 2.94 0.92 1 31 ARG 4.37 0.71 1 32 LYS 3.21 1.97 1 33 TYR 4.74 0.75 1 34 PHE 3.08 1.77 1 35 GLU 2.82 0.59 1 36 VAL 2.78 0.70 1 37 PHE 1.10 -0.85 1 39 GLU -0.25 -0.34 1 40 ILE -2.13 -0.06 1 41 GLU 0.27 -0.26 1 42 GLU -4.84 -3.21 1 43 ALA -2.40 -3.75 1 44 VAL -6.17 -2.86 1 45 VAL -0.10 0.11 1 46 ILE 3.19 -1.44 1 47 THR -4.82 -0.16 1 48 ASP -2.12 1.25 1 49 ARG 3.48 1.27 1 50 GLN 2.40 1.85 1 51 THR -1.39 1.87 1 53 LYS -0.85 -0.16 1 54 SER -0.06 1.60 1 55 ARG 0.17 1.36 1 57 TYR -4.68 -3.64 1 60 VAL -3.80 -1.91 1 61 THR -0.22 0.18 1 62 MET -1.31 -0.19 1 63 ALA 1.19 -0.92 1 64 ASP -4.41 -0.79 1 65 ARG 3.72 1.41 1 66 ALA 4.08 2.80 1 67 ALA 1.66 1.86 1 68 ALA 3.70 0.93 1 69 GLU 3.56 0.09 1 71 ALA 0.15 -0.92 1 73 LYS 4.05 0.21 1 78 ILE 1.40 -0.73 1 79 ILE -1.34 -1.92 1 80 ASP 3.05 -0.10 1 82 ARG -5.14 -2.83 1 83 LYS 2.60 -2.45 1 84 ALA -3.42 -2.63 1 85 ASN -2.59 -1.75 1 86 VAL -4.55 -0.31 1 87 ASN -3.31 -1.44 1 88 LEU 2.27 1.17 1 89 ALA 3.38 1.76 1 90 TYR 3.00 -0.27 1 91 LEU 0.20 0.08 1 93 ALA -1.35 -1.21 1 96 ARG 0.61 -0.11 1 97 ILE 0.15 -0.43 1 98 MET -0.19 -0.63 1 102 PHE 0.01 -0.62 1 103 ALA -0.56 0.21 1 104 PHE -0.23 -0.68 1 stop_ save_