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 bmr19068_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.41 _LACS_plot.Line_1_terminator_val_y_1 -2.91 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.79 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.67 _LACS_plot.Line_2_terminator_val_x_2 9.43 _LACS_plot.Line_2_terminator_val_y_2 7.47 _LACS_plot.Y_axis_chem_shift_offset 0.08 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 10 HIS 3.72 7.17 0 11 MET 0.68 -0.18 1 13 SER -0.37 -0.26 1 14 GLU 0.72 0.52 1 15 GLU -0.01 -0.06 1 16 ASP -0.05 0.11 1 17 ASP 0.19 0.28 1 19 VAL 5.37 3.76 1 20 VAL 6.47 4.85 1 21 ALA 4.05 2.50 1 22 MET 3.37 2.83 1 23 ILE 5.59 4.95 1 24 LYS 5.10 4.23 1 25 GLU 3.53 2.82 1 26 LEU 4.08 3.01 1 27 LEU 4.02 3.30 1 28 ASP 4.41 3.68 1 29 THR 0.10 1.24 1 30 ARG -0.25 0.43 1 31 ILE 0.03 0.50 1 32 ARG 9.43 7.98 1 34 THR 5.03 3.95 1 35 VAL 4.06 2.98 1 36 GLN 3.94 2.18 1 37 GLU 3.28 2.51 1 38 ASP -1.01 -0.58 1 41 ASP -2.99 -0.61 1 42 VAL -3.11 -1.53 1 43 ILE -3.96 -2.77 1 44 TYR 2.93 2.52 1 45 LYS -2.03 -1.99 1 47 PHE -2.74 -1.68 1 48 GLU -4.47 -1.81 1 49 ASP 2.27 0.85 1 51 ILE -1.44 -3.24 1 52 VAL 0.24 0.00 1 53 GLN -0.82 -1.66 1 54 LEU -5.78 -2.37 1 55 LYS -3.04 -1.53 1 56 LEU -2.05 -1.58 1 57 GLN -5.05 -1.79 1 59 SER 2.52 1.67 1 61 THR 0.14 -0.45 1 62 SER 1.95 1.69 1 65 SER 4.38 2.76 1 66 SER 3.88 2.89 1 67 ILE 4.80 3.66 1 68 ILE 4.73 3.58 1 69 THR 5.56 4.33 1 70 LEU 3.44 2.88 1 71 LYS 6.70 5.17 1 72 ASN 4.11 2.80 1 74 ILE 5.58 4.88 1 75 GLN 6.13 5.00 1 76 ASN 3.88 3.31 1 77 MET 4.32 3.59 1 78 LEU 3.09 3.30 1 79 GLN 3.43 2.74 1 80 PHE 3.95 3.13 1 81 TYR -0.72 2.25 1 82 ILE 0.42 -0.05 1 84 GLU 3.60 2.60 1 85 VAL 4.01 1.96 1 86 GLU -1.72 -0.61 1 88 VAL -4.96 -2.17 1 89 GLU -6.41 -2.55 1 90 GLN -1.26 -1.47 1 91 VAL -1.72 -1.54 1 92 MET -0.65 -0.84 1 93 ASP 0.05 0.14 1 94 ASP -0.33 -0.26 1 95 GLU -0.14 -0.09 1 96 SER -0.54 -0.12 1 97 ASP 0.79 1.91 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19068_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.41 _LACS_plot.Line_1_terminator_val_y_1 3.50 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.21 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.33 _LACS_plot.Line_2_terminator_val_x_2 9.43 _LACS_plot.Line_2_terminator_val_y_2 -1.96 _LACS_plot.Y_axis_chem_shift_offset 0.08 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 10 HIS 3.72 3.45 0 11 MET 0.68 -0.86 1 13 SER -0.37 0.11 1 14 GLU 0.72 -0.20 1 15 GLU -0.01 -0.05 1 16 ASP -0.05 0.16 1 17 ASP 0.19 0.09 1 19 VAL 5.37 -1.61 1 20 VAL 6.47 -1.62 1 21 ALA 4.05 -1.55 1 22 MET 3.37 -0.54 1 23 ILE 5.59 -0.64 1 24 LYS 5.10 -0.87 1 25 GLU 3.53 -0.71 1 26 LEU 4.08 -1.07 1 27 LEU 4.02 -0.72 1 28 ASP 4.41 -0.73 1 29 THR 0.10 1.14 1 30 ARG -0.25 0.68 1 31 ILE 0.03 0.47 1 32 ARG 9.43 -1.45 1 34 THR 5.03 -1.08 1 35 VAL 4.06 -1.08 1 36 GLN 3.94 -1.76 1 37 GLU 3.28 -0.77 1 38 ASP -1.01 0.43 1 41 ASP -2.99 2.38 1 42 VAL -3.11 1.58 1 43 ILE -3.96 1.19 1 44 TYR 2.93 -0.41 1 45 LYS -2.03 0.04 1 47 PHE -2.74 1.06 1 48 GLU -4.47 2.66 1 49 ASP 2.27 -1.42 1 51 ILE -1.44 -1.80 1 52 VAL 0.24 -0.24 1 53 GLN -0.82 -0.84 1 54 LEU -5.78 3.41 1 55 LYS -3.04 1.51 1 56 LEU -2.05 0.47 1 57 GLN -5.05 3.26 1 59 SER 2.52 -0.85 1 61 THR 0.14 -0.59 1 62 SER 1.95 -0.26 1 65 SER 4.38 -1.62 1 66 SER 3.88 -0.99 1 67 ILE 4.80 -1.14 1 68 ILE 4.73 -1.15 1 69 THR 5.56 -1.23 1 70 LEU 3.44 -0.56 1 71 LYS 6.70 -1.53 1 72 ASN 4.11 -1.31 1 74 ILE 5.58 -0.70 1 75 GLN 6.13 -1.13 1 76 ASN 3.88 -0.57 1 77 MET 4.32 -0.73 1 78 LEU 3.09 0.21 1 79 GLN 3.43 -0.69 1 80 PHE 3.95 -0.82 1 81 TYR -0.72 2.97 1 82 ILE 0.42 -0.47 1 84 GLU 3.60 -1.00 1 85 VAL 4.01 -2.05 1 86 GLU -1.72 1.11 1 88 VAL -4.96 2.79 1 89 GLU -6.41 3.86 1 90 GLN -1.26 -0.21 1 91 VAL -1.72 0.18 1 92 MET -0.65 -0.19 1 93 ASP 0.05 0.09 1 94 ASP -0.33 0.07 1 95 GLU -0.14 0.05 1 96 SER -0.54 0.42 1 97 ASP 0.79 1.12 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19068_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.41 _LACS_plot.Line_1_terminator_val_y_1 0.66 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.14 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.28 _LACS_plot.Line_2_terminator_val_x_2 9.43 _LACS_plot.Line_2_terminator_val_y_2 -0.92 _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 PHE -2.74 0.98 0 89 GLU -6.41 0.29 0 36 GLN 3.94 0.42 0 10 HIS 3.72 -0.64 1 11 MET 0.68 -0.02 1 13 SER -0.37 0.04 1 14 GLU 0.72 -0.05 1 15 GLU -0.01 -0.08 1 16 ASP -0.05 -0.02 1 17 ASP 0.19 -0.08 1 19 VAL 5.37 -0.45 1 20 VAL 6.47 -0.91 1 21 ALA 4.05 -0.44 1 22 MET 3.37 -0.29 1 23 ILE 5.59 -0.94 1 24 LYS 5.10 -0.72 1 25 GLU 3.53 -0.26 1 26 LEU 4.08 -0.42 1 27 LEU 4.02 -0.34 1 28 ASP 4.41 -0.22 1 29 THR 0.10 0.08 1 30 ARG -0.25 0.37 1 31 ILE 0.03 0.24 1 32 ARG 9.43 -0.69 1 34 THR 5.03 -0.31 1 35 VAL 4.06 -0.24 1 37 GLU 3.28 -0.26 1 38 ASP -1.01 0.28 1 41 ASP -2.99 0.12 1 42 VAL -3.11 0.56 1 43 ILE -3.96 0.23 1 44 TYR 2.93 -0.49 1 45 LYS -2.03 0.15 1 48 GLU -4.47 0.02 1 49 ASP 2.27 -0.52 1 51 ILE -1.44 0.38 1 52 VAL 0.24 0.52 1 53 GLN -0.82 0.57 1 54 LEU -5.78 0.73 1 55 LYS -3.04 0.60 1 56 LEU -2.05 0.58 1 57 GLN -5.05 0.40 1 59 SER 2.52 -0.17 1 61 THR 0.14 0.01 1 62 SER 1.95 -0.21 1 65 SER 4.38 -0.18 1 66 SER 3.88 -0.12 1 67 ILE 4.80 -0.47 1 68 ILE 4.73 -0.48 1 69 THR 5.56 -0.40 1 70 LEU 3.44 -0.08 1 71 LYS 6.70 -0.70 1 72 ASN 4.11 -0.32 1 74 ILE 5.58 -0.57 1 75 GLN 6.13 -0.72 1 76 ASN 3.88 -0.27 1 77 MET 4.32 -0.20 1 78 LEU 3.09 -0.26 1 79 GLN 3.43 -0.15 1 80 PHE 3.95 -0.61 1 81 TYR -0.72 -0.22 1 82 ILE 0.42 0.12 1 84 GLU 3.60 -0.25 1 85 VAL 4.01 -0.02 1 86 GLU -1.72 0.08 1 88 VAL -4.96 1.09 1 90 GLN -1.26 0.76 1 91 VAL -1.72 0.20 1 92 MET -0.65 0.14 1 93 ASP 0.05 0.00 1 94 ASP -0.33 -0.05 1 95 GLU -0.14 -0.06 1 96 SER -0.54 -0.02 1 97 ASP 0.79 -0.25 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19068_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.41 _LACS_plot.Line_1_terminator_val_y_1 -2.48 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.63 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.81 _LACS_plot.Line_2_terminator_val_x_2 6.69 _LACS_plot.Line_2_terminator_val_y_2 2.17 _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 36 GLN 3.94 5.07 0 10 HIS 3.72 1.91 1 11 MET 0.68 0.27 1 13 SER -0.37 0.18 1 14 GLU 0.72 0.16 1 15 GLU -0.01 1.43 1 16 ASP -0.05 -0.03 1 17 ASP 0.19 0.97 1 19 VAL 5.37 1.12 1 20 VAL 6.47 1.24 1 21 ALA 4.05 2.84 1 22 MET 3.37 0.00 1 23 ILE 5.59 1.12 1 24 LYS 5.10 1.39 1 25 GLU 3.53 3.58 1 26 LEU 4.08 2.72 1 27 LEU 4.02 1.62 1 28 ASP 4.41 1.60 1 29 THR 0.10 1.80 1 30 ARG -0.25 0.61 1 31 ILE 0.03 -0.58 1 34 THR 5.03 1.63 1 35 VAL 4.06 2.90 1 37 GLU 3.28 0.62 1 38 ASP -1.01 0.67 1 41 ASP -2.99 -2.18 1 42 VAL -3.11 -3.24 1 43 ILE -3.96 -0.51 1 44 TYR 2.93 -1.05 1 45 LYS -2.03 -1.24 1 47 PHE -2.74 -1.99 1 48 GLU -4.47 -0.86 1 49 ASP 2.27 -1.60 1 51 ILE -1.44 -0.09 1 52 VAL 0.24 -2.18 1 53 GLN -0.82 -0.96 1 54 LEU -5.78 -2.69 1 55 LYS -3.04 -1.82 1 56 LEU -2.05 -2.50 1 57 GLN -5.05 -0.56 1 61 THR 0.14 0.66 1 62 SER 1.95 -1.13 1 65 SER 4.38 2.54 1 66 SER 3.88 1.94 1 67 ILE 4.80 0.80 1 68 ILE 4.73 1.59 1 69 THR 5.56 2.57 1 70 LEU 3.44 0.73 1 71 LYS 6.70 1.50 1 72 ASN 4.11 2.58 1 74 ILE 5.58 0.80 1 75 GLN 6.13 0.97 1 76 ASN 3.88 2.43 1 77 MET 4.32 1.46 1 78 LEU 3.09 1.09 1 79 GLN 3.43 1.03 1 80 PHE 3.95 0.79 1 81 TYR -0.72 0.09 1 84 GLU 3.60 0.56 1 85 VAL 4.01 -1.26 1 86 GLU -1.72 0.05 1 88 VAL -4.96 -2.54 1 89 GLU -6.41 -2.56 1 90 GLN -1.26 -0.39 1 91 VAL -1.72 -0.86 1 92 MET -0.65 -0.52 1 93 ASP 0.05 -0.71 1 94 ASP -0.33 0.11 1 95 GLU -0.14 0.33 1 96 SER -0.54 -1.18 1 stop_ save_