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 bmr36060_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.80 _LACS_plot.Line_1_terminator_val_y_1 -3.04 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.78 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.31 _LACS_plot.Line_2_terminator_val_x_2 5.73 _LACS_plot.Line_2_terminator_val_y_2 3.71 _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 41 LEU -7.80 -1.69 0 10 ASP -4.10 -0.77 1 11 GLU 2.82 2.91 1 12 ASN 0.59 0.79 1 13 ASP -2.45 -1.31 1 14 GLU -0.55 -0.01 1 16 ILE -3.38 -1.66 1 17 GLU -2.55 -1.10 1 18 ILE -3.90 -1.47 1 20 SER -3.70 -2.04 1 21 GLU -2.79 -1.94 1 22 ASP 4.23 3.08 1 23 ASP 0.05 -1.17 1 25 THR -1.51 -0.22 1 26 VAL -3.63 -1.27 1 27 LEU 1.85 -0.14 1 28 LEU 4.54 3.13 1 29 SER 4.00 1.94 1 30 THR 5.73 3.39 1 31 VAL 5.48 4.37 1 32 THR 3.38 2.38 1 33 ALA 3.07 2.09 1 34 GLN -0.12 0.88 1 38 ALA 0.08 1.03 1 39 SER -2.93 -1.43 1 42 ARG -5.45 -1.61 1 43 TYR -4.08 -1.99 1 44 ARG 0.75 0.99 1 47 VAL 3.59 2.60 1 48 SER -1.15 -0.12 1 49 GLN 4.88 1.43 1 50 SER -2.10 -1.07 1 51 MET -0.29 -1.18 1 52 ARG -4.59 -2.32 1 54 VAL 0.51 0.21 1 55 ARG 2.33 2.46 1 56 LEU -3.19 -1.52 1 57 VAL -2.79 -0.90 1 58 GLU 2.62 0.46 1 60 ILE 0.38 0.14 1 61 LEU -0.98 -0.75 1 62 HIS -2.94 -0.03 1 63 ALA 1.52 -0.62 1 65 ASP 4.46 3.47 1 66 ALA 0.59 0.07 1 68 TRP -0.02 1.28 1 70 ASN -0.86 -1.40 1 71 LEU 0.52 -0.28 1 72 VAL 0.85 0.07 1 73 TYR -1.56 0.15 1 74 VAL -2.49 -2.41 1 75 VAL 2.47 2.14 1 76 ASN -3.88 -2.37 1 77 TYR -0.95 0.34 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr36060_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.80 _LACS_plot.Line_1_terminator_val_y_1 4.76 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.22 _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 5.73 _LACS_plot.Line_2_terminator_val_y_2 -2.02 _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 41 LEU -7.80 6.11 0 10 ASP -4.10 3.33 1 11 GLU 2.82 0.09 1 12 ASN 0.59 0.20 1 13 ASP -2.45 1.14 1 14 GLU -0.55 0.54 1 16 ILE -3.38 1.72 1 17 GLU -2.55 1.45 1 18 ILE -3.90 2.43 1 20 SER -3.70 1.66 1 21 GLU -2.79 0.85 1 22 ASP 4.23 -1.15 1 23 ASP 0.05 -1.22 1 25 THR -1.51 1.29 1 26 VAL -3.63 2.36 1 27 LEU 1.85 -1.99 1 28 LEU 4.54 -1.41 1 29 SER 4.00 -2.06 1 30 THR 5.73 -2.34 1 31 VAL 5.48 -1.11 1 32 THR 3.38 -1.00 1 33 ALA 3.07 -0.98 1 34 GLN -0.12 1.00 1 38 ALA 0.08 0.95 1 39 SER -2.93 1.50 1 42 ARG -5.45 3.84 1 43 TYR -4.08 2.09 1 44 ARG 0.75 0.24 1 47 VAL 3.59 -0.99 1 48 SER -1.15 1.03 1 49 GLN 4.88 -3.45 1 50 SER -2.10 1.03 1 51 MET -0.29 -0.89 1 52 ARG -4.59 2.27 1 54 VAL 0.51 -0.30 1 55 ARG 2.33 0.13 1 56 LEU -3.19 1.67 1 57 VAL -2.79 1.89 1 58 GLU 2.62 -2.16 1 60 ILE 0.38 -0.24 1 61 LEU -0.98 0.23 1 62 HIS -2.94 2.91 1 63 ALA 1.52 -2.14 1 65 ASP 4.46 -0.99 1 66 ALA 0.59 -0.52 1 68 TRP -0.02 1.30 1 70 ASN -0.86 -0.54 1 71 LEU 0.52 -0.80 1 72 VAL 0.85 -0.78 1 73 TYR -1.56 1.71 1 74 VAL -2.49 0.08 1 75 VAL 2.47 -0.33 1 76 ASN -3.88 1.51 1 77 TYR -0.95 1.29 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr36060_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.80 _LACS_plot.Line_1_terminator_val_y_1 0.64 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.22 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.10 _LACS_plot.Line_2_terminator_val_x_2 5.73 _LACS_plot.Line_2_terminator_val_y_2 -0.52 _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 28 LEU 4.54 0.76 0 10 ASP -4.10 -0.06 1 11 GLU 2.82 -0.54 1 12 ASN 0.59 -0.11 1 13 ASP -2.45 0.19 1 14 GLU -0.55 -0.22 1 16 ILE -3.38 0.29 1 17 GLU -2.55 0.06 1 18 ILE -3.90 0.52 1 20 SER -3.70 0.04 1 21 GLU -2.79 -0.15 1 22 ASP 4.23 -0.39 1 23 ASP 0.05 -0.21 1 25 THR -1.51 0.38 1 26 VAL -3.63 0.18 1 27 LEU 1.85 -0.03 1 29 SER 4.00 -0.14 1 30 THR 5.73 -0.44 1 31 VAL 5.48 -0.56 1 32 THR 3.38 -0.15 1 33 ALA 3.07 -0.31 1 34 GLN -0.12 0.29 1 38 ALA 0.08 -0.37 1 39 SER -2.93 0.06 1 41 LEU -7.80 0.96 1 42 ARG -5.45 1.22 1 43 TYR -4.08 0.25 1 44 ARG 0.75 0.81 1 47 VAL 3.59 -0.28 1 48 SER -1.15 -0.11 1 49 GLN 4.88 -0.54 1 50 SER -2.10 0.04 1 51 MET -0.29 0.31 1 52 ARG -4.59 0.10 1 54 VAL 0.51 0.01 1 55 ARG 2.33 -0.37 1 56 LEU -3.19 0.90 1 57 VAL -2.79 0.14 1 58 GLU 2.62 -0.55 1 60 ILE 0.38 0.00 1 61 LEU -0.98 0.85 1 62 HIS -2.94 -0.66 1 63 ALA 1.52 0.05 1 65 ASP 4.46 -0.61 1 66 ALA 0.59 -0.14 1 68 TRP -0.02 -0.10 1 70 ASN -0.86 0.38 1 71 LEU 0.52 -0.25 1 72 VAL 0.85 -0.12 1 73 TYR -1.56 0.09 1 74 VAL -2.49 0.63 1 75 VAL 2.47 -0.57 1 76 ASN -3.88 -0.02 1 77 TYR -0.95 0.12 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr36060_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.80 _LACS_plot.Line_1_terminator_val_y_1 -1.71 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.05 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.71 _LACS_plot.Line_2_terminator_val_x_2 5.73 _LACS_plot.Line_2_terminator_val_y_2 0.57 _LACS_plot.Y_axis_chem_shift_offset 0.38 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 41 LEU -7.80 -1.80 0 74 VAL -2.49 3.75 0 68 TRP -0.02 4.37 0 10 ASP -4.10 0.02 1 11 GLU 2.82 -0.46 1 12 ASN 0.59 3.92 1 13 ASP -2.45 -0.52 1 16 ILE -3.38 -1.68 1 17 GLU -2.55 -1.65 1 20 SER -3.70 0.61 1 21 GLU -2.79 2.44 1 22 ASP 4.23 0.51 1 23 ASP 0.05 1.21 1 25 THR -1.51 -2.12 1 26 VAL -3.63 -1.08 1 27 LEU 1.85 -2.24 1 28 LEU 4.54 1.08 1 29 SER 4.00 2.07 1 30 THR 5.73 1.53 1 31 VAL 5.48 2.63 1 32 THR 3.38 1.71 1 33 ALA 3.07 -3.24 1 38 ALA 0.08 -0.94 1 39 SER -2.93 0.13 1 42 ARG -5.45 -2.77 1 43 TYR -4.08 -0.87 1 47 VAL 3.59 0.79 1 48 SER -1.15 0.75 1 49 GLN 4.88 -1.26 1 50 SER -2.10 -0.94 1 51 MET -0.29 0.28 1 52 ARG -4.59 -1.62 1 54 VAL 0.51 -0.11 1 55 ARG 2.33 -3.08 1 56 LEU -3.19 -1.48 1 57 VAL -2.79 -0.30 1 58 GLU 2.62 -0.56 1 60 ILE 0.38 -1.93 1 61 LEU -0.98 -0.61 1 62 HIS -2.94 -0.99 1 65 ASP 4.46 0.76 1 66 ALA 0.59 -0.37 1 70 ASN -0.86 0.04 1 71 LEU 0.52 -3.24 1 72 VAL 0.85 -1.83 1 73 TYR -1.56 -1.56 1 75 VAL 2.47 -1.90 1 76 ASN -3.88 -1.43 1 77 TYR -0.95 0.37 1 stop_ save_