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 bmr18678_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.85 _LACS_plot.Line_1_terminator_val_y_1 -3.42 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.85 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.46 _LACS_plot.Line_2_terminator_val_x_2 5.55 _LACS_plot.Line_2_terminator_val_y_2 4.22 _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 47 ALA -8.85 -2.77 0 11 GLN 4.03 3.27 1 12 ALA -0.52 -0.46 1 13 ALA -0.60 -0.57 1 14 THR -5.45 -2.31 1 15 GLU 5.56 4.55 1 16 ASP 4.24 3.24 1 17 ASP 3.64 3.65 1 18 ILE 5.09 4.08 1 19 ARG 5.09 4.20 1 21 GLN 3.58 2.18 1 22 LEU 4.50 3.03 1 23 GLN 3.97 2.97 1 24 SER 3.47 2.33 1 25 HIS -1.15 0.94 1 27 VAL -3.48 -2.08 1 29 ALA 0.63 1.64 1 30 ARG 1.72 1.63 1 31 GLU -4.77 -0.88 1 32 VAL -1.94 -0.81 1 33 ARG -3.71 -1.65 1 34 LEU -2.34 -0.64 1 35 MET -1.64 -0.24 1 36 ARG -2.46 0.16 1 37 ASN -0.41 -0.09 1 38 LYS 2.85 2.10 1 39 SER 2.41 1.51 1 40 SER -2.02 -0.63 1 42 GLN -0.66 -0.30 1 43 SER 0.03 0.04 1 44 ARG -0.64 -0.23 1 46 PHE -5.36 -3.04 1 48 PHE -3.93 -0.98 1 49 VAL -1.63 -1.01 1 50 GLU -3.91 -1.92 1 51 PHE -1.33 0.08 1 52 SER 3.83 2.72 1 53 HIS -3.44 -1.08 1 55 GLN 4.52 2.88 1 56 ASP 2.82 2.49 1 57 ALA 2.28 2.24 1 58 THR 4.29 3.32 1 59 ARG 4.13 3.26 1 60 TRP 4.34 3.06 1 61 MET 2.61 3.03 1 62 GLU 2.94 1.97 1 63 ALA 2.65 2.00 1 64 ASN -1.25 0.16 1 65 GLN 4.86 1.58 1 66 HIS 4.69 2.15 1 67 SER -2.04 -0.68 1 68 LEU -6.13 -2.41 1 69 ASN -1.89 -1.05 1 70 ILE -2.84 -2.05 1 71 LEU 3.06 0.02 1 73 GLN -4.16 -2.33 1 74 LYS 1.28 0.43 1 75 VAL -3.53 -1.54 1 76 SER -1.00 -0.62 1 77 MET 0.04 -1.66 1 78 HIS -4.84 -0.72 1 79 TYR 2.02 1.88 1 80 SER 0.43 1.49 1 81 ASP 0.61 0.65 1 83 LYS -0.12 -0.37 1 85 LYS 0.38 -0.25 1 86 ILE -0.07 -0.15 1 87 ASN 0.41 0.00 1 88 GLU 0.12 0.09 1 89 ASP 0.30 0.10 1 90 TRP -0.91 -1.10 1 91 LEU 0.45 1.45 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18678_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.85 _LACS_plot.Line_1_terminator_val_y_1 5.43 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.15 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.54 _LACS_plot.Line_2_terminator_val_x_2 5.55 _LACS_plot.Line_2_terminator_val_y_2 -1.33 _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 47 ALA -8.85 6.08 0 11 GLN 4.03 -0.76 1 12 ALA -0.52 0.06 1 13 ALA -0.60 0.03 1 14 THR -5.45 3.14 1 15 GLU 5.56 -1.01 1 16 ASP 4.24 -1.00 1 17 ASP 3.64 0.01 1 18 ILE 5.09 -1.01 1 19 ARG 5.09 -0.89 1 21 GLN 3.58 -1.40 1 22 LEU 4.50 -1.47 1 23 GLN 3.97 -1.00 1 24 SER 3.47 -1.14 1 25 HIS -1.15 2.09 1 27 VAL -3.48 1.40 1 29 ALA 0.63 1.01 1 30 ARG 1.72 -0.09 1 31 GLU -4.77 3.89 1 32 VAL -1.94 1.13 1 33 ARG -3.71 2.06 1 34 LEU -2.34 1.70 1 35 MET -1.64 1.40 1 36 ARG -2.46 2.62 1 37 ASN -0.41 0.32 1 38 LYS 2.85 -0.75 1 39 SER 2.41 -0.90 1 40 SER -2.02 1.39 1 42 GLN -0.66 0.36 1 43 SER 0.03 0.01 1 44 ARG -0.64 0.41 1 46 PHE -5.36 2.32 1 48 PHE -3.93 2.95 1 49 VAL -1.63 0.62 1 50 GLU -3.91 1.99 1 51 PHE -1.33 1.41 1 52 SER 3.83 -1.11 1 53 HIS -3.44 2.36 1 55 GLN 4.52 -1.64 1 56 ASP 2.82 -0.33 1 57 ALA 2.28 -0.04 1 58 THR 4.29 -0.97 1 59 ARG 4.13 -0.87 1 60 TRP 4.34 -1.28 1 61 MET 2.61 0.42 1 62 GLU 2.94 -0.97 1 63 ALA 2.65 -0.65 1 64 ASN -1.25 1.41 1 65 GLN 4.86 -3.28 1 66 HIS 4.69 -2.54 1 67 SER -2.04 1.36 1 68 LEU -6.13 3.72 1 69 ASN -1.89 0.84 1 70 ILE -2.84 0.79 1 71 LEU 3.06 -3.04 1 73 GLN -4.16 1.83 1 74 LYS 1.28 -0.85 1 75 VAL -3.53 1.99 1 76 SER -1.00 0.38 1 77 MET 0.04 -1.70 1 78 HIS -4.84 4.12 1 79 TYR 2.02 -0.14 1 80 SER 0.43 1.06 1 81 ASP 0.61 0.04 1 83 LYS -0.12 -0.25 1 85 LYS 0.38 -0.63 1 86 ILE -0.07 -0.08 1 87 ASN 0.41 -0.41 1 88 GLU 0.12 -0.03 1 89 ASP 0.30 -0.20 1 90 TRP -0.91 -0.19 1 91 LEU 0.45 1.00 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18678_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.85 _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 -0.13 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.22 _LACS_plot.Line_2_terminator_val_x_2 5.55 _LACS_plot.Line_2_terminator_val_y_2 -0.43 _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 35 MET -1.64 -1.49 0 11 GLN 4.03 -0.46 1 12 ALA -0.52 -0.04 1 13 ALA -0.60 0.20 1 14 THR -5.45 0.32 1 15 GLU 5.56 -0.66 1 16 ASP 4.24 -0.18 1 17 ASP 3.64 -0.13 1 18 ILE 5.09 -0.64 1 19 ARG 5.09 -0.40 1 21 GLN 3.58 -0.01 1 22 LEU 4.50 -0.44 1 23 GLN 3.97 -0.18 1 24 SER 3.47 -0.17 1 25 HIS -1.15 0.10 1 27 VAL -3.48 0.30 1 29 ALA 0.63 0.18 1 30 ARG 1.72 -0.16 1 31 GLU -4.77 0.11 1 32 VAL -1.94 0.43 1 33 ARG -3.71 0.50 1 34 LEU -2.34 0.08 1 37 ASN -0.41 -0.07 1 38 LYS 2.85 -0.20 1 39 SER 2.41 -0.02 1 40 SER -2.02 0.14 1 42 GLN -0.66 -0.06 1 43 SER 0.03 -0.13 1 44 ARG -0.64 0.16 1 46 PHE -5.36 0.86 1 47 ALA -8.85 0.81 1 48 PHE -3.93 0.81 1 49 VAL -1.63 0.38 1 50 GLU -3.91 0.62 1 51 PHE -1.33 0.08 1 52 SER 3.83 -0.21 1 53 HIS -3.44 0.35 1 55 GLN 4.52 -0.18 1 56 ASP 2.82 -0.21 1 57 ALA 2.28 -1.32 1 58 THR 4.29 0.02 1 59 ARG 4.13 -0.24 1 60 TRP 4.34 -0.35 1 61 MET 2.61 -0.93 1 62 GLU 2.94 -0.30 1 63 ALA 2.65 -0.14 1 64 ASN -1.25 -0.09 1 65 GLN 4.86 -0.43 1 66 HIS 4.69 -0.71 1 67 SER -2.04 0.53 1 68 LEU -6.13 0.34 1 69 ASN -1.89 0.59 1 70 ILE -2.84 0.17 1 71 LEU 3.06 -0.39 1 73 GLN -4.16 0.25 1 74 LYS 1.28 0.29 1 75 VAL -3.53 0.35 1 76 SER -1.00 0.16 1 77 MET 0.04 0.54 1 78 HIS -4.84 -0.11 1 79 TYR 2.02 0.39 1 80 SER 0.43 0.30 1 81 ASP 0.61 0.00 1 83 LYS -0.12 -0.10 1 85 LYS 0.38 -0.03 1 86 ILE -0.07 -0.07 1 87 ASN 0.41 -0.15 1 88 GLU 0.12 -0.23 1 89 ASP 0.30 -0.07 1 90 TRP -0.91 0.04 1 91 LEU 0.45 -0.17 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18678_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.85 _LACS_plot.Line_1_terminator_val_y_1 -3.39 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.99 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.69 _LACS_plot.Line_2_terminator_val_x_2 5.55 _LACS_plot.Line_2_terminator_val_y_2 2.50 _LACS_plot.Y_axis_chem_shift_offset -0.17 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 47 ALA -8.85 -3.02 0 36 ARG -2.46 -4.64 0 14 THR -5.45 1.61 0 13 ALA -0.60 0.29 1 15 GLU 5.56 2.47 1 16 ASP 4.24 3.37 1 17 ASP 3.64 3.25 1 18 ILE 5.09 1.71 1 21 GLN 3.58 2.82 1 22 LEU 4.50 1.36 1 23 GLN 3.97 4.30 1 24 SER 3.47 0.97 1 25 HIS -1.15 1.83 1 30 ARG 1.72 0.67 1 31 GLU -4.77 -2.65 1 32 VAL -1.94 -1.81 1 33 ARG -3.71 -1.48 1 35 MET -1.64 -1.93 1 37 ASN -0.41 -1.88 1 39 SER 2.41 1.13 1 40 SER -2.02 1.73 1 42 GLN -0.66 0.61 1 43 SER 0.03 2.00 1 44 ARG -0.64 1.30 1 46 PHE -5.36 -2.69 1 48 PHE -3.93 -0.92 1 49 VAL -1.63 -2.38 1 50 GLU -3.91 -1.09 1 51 PHE -1.33 0.55 1 52 SER 3.83 -0.18 1 55 GLN 4.52 2.32 1 56 ASP 2.82 0.96 1 57 ALA 2.28 1.88 1 58 THR 4.29 2.60 1 59 ARG 4.13 2.88 1 61 MET 2.61 3.10 1 62 GLU 2.94 4.52 1 63 ALA 2.65 1.17 1 65 GLN 4.86 -0.12 1 66 HIS 4.69 -0.21 1 67 SER -2.04 -2.88 1 68 LEU -6.13 -1.82 1 69 ASN -1.89 0.23 1 70 ILE -2.84 -1.43 1 71 LEU 3.06 -0.08 1 74 LYS 1.28 -0.33 1 75 VAL -3.53 -0.34 1 76 SER -1.00 -1.44 1 77 MET 0.04 -0.72 1 86 ILE -0.07 -0.36 1 87 ASN 0.41 0.34 1 88 GLU 0.12 -0.06 1 89 ASP 0.30 -0.09 1 90 TRP -0.91 -0.70 1 stop_ save_