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 bmr30632_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.68 _LACS_plot.Line_1_terminator_val_y_1 -2.63 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.90 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.36 _LACS_plot.Line_2_terminator_val_x_2 8.64 _LACS_plot.Line_2_terminator_val_y_2 6.73 _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 39 ALA 8.64 6.62 0 51 MET -3.75 -5.12 0 10 SER -0.82 -0.46 1 11 TYR -0.30 -0.02 1 13 ASN -0.27 0.05 1 14 SER 0.35 0.45 1 15 GLU 0.11 0.30 1 16 GLU -0.14 0.18 1 17 ASP 0.10 0.24 1 22 SER 0.27 0.35 1 25 SER 0.35 0.62 1 28 SER 1.10 1.13 1 29 GLN 0.67 0.56 1 31 LEU -6.45 -1.84 1 32 TYR -3.18 -0.92 1 33 ALA -5.32 -1.44 1 34 THR -0.99 0.23 1 35 LEU -6.68 -1.93 1 36 ASP 0.40 0.02 1 37 VAL -3.56 -1.19 1 41 ILE 3.70 1.51 1 42 ALA 4.27 2.46 1 43 VAL 5.45 4.83 1 44 VAL 0.59 0.93 1 47 LYS -2.96 -1.05 1 48 VAL -5.30 -2.46 1 49 ARG -0.61 -0.13 1 50 ALA -5.62 -2.35 1 52 THR -4.20 -1.96 1 53 LEU 3.83 2.86 1 54 GLU -0.14 -0.20 1 57 VAL -5.35 -2.34 1 58 GLU -1.95 -0.69 1 59 VAL -2.82 -1.46 1 60 ALA -0.58 -1.18 1 61 VAL -0.55 -0.43 1 64 ARG 5.16 0.72 1 65 THR 4.76 4.20 1 66 GLN -4.34 -2.27 1 67 ALA 1.66 1.06 1 69 ARG 0.91 0.70 1 70 LYS -2.19 -1.33 1 71 LEU -1.52 -1.47 1 72 ARG -2.72 -0.84 1 73 LEU -0.07 -1.34 1 74 LYS 1.32 0.45 1 76 LYS -1.28 -2.23 1 78 PHE 3.19 2.74 1 82 ALA -1.13 -1.30 1 84 ARG -1.77 -0.07 1 86 ASP -3.23 -0.38 1 87 LEU -5.73 -2.25 1 88 TYR -3.08 -0.89 1 89 LEU -4.60 -3.19 1 90 GLU -2.95 -1.51 1 91 VAL 3.13 2.54 1 92 ARG -2.41 -0.92 1 93 ILE 0.14 -1.93 1 94 THR -0.19 0.34 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30632_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.68 _LACS_plot.Line_1_terminator_val_y_1 4.05 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.10 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.64 _LACS_plot.Line_2_terminator_val_x_2 8.64 _LACS_plot.Line_2_terminator_val_y_2 -1.91 _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 39 ALA 8.64 -2.02 0 51 MET -3.75 -1.37 0 10 SER -0.82 0.36 1 11 TYR -0.30 0.28 1 13 ASN -0.27 0.32 1 14 SER 0.35 0.10 1 15 GLU 0.11 0.19 1 16 GLU -0.14 0.32 1 17 ASP 0.10 0.14 1 22 SER 0.27 0.08 1 25 SER 0.35 0.27 1 28 SER 1.10 0.03 1 29 GLN 0.67 -0.11 1 31 LEU -6.45 4.61 1 32 TYR -3.18 2.26 1 33 ALA -5.32 3.88 1 34 THR -0.99 1.22 1 35 LEU -6.68 4.75 1 36 ASP 0.40 -0.38 1 37 VAL -3.56 2.37 1 41 ILE 3.70 -2.19 1 42 ALA 4.27 -1.81 1 43 VAL 5.45 -0.62 1 44 VAL 0.59 0.34 1 47 LYS -2.96 1.91 1 48 VAL -5.30 2.84 1 49 ARG -0.61 0.48 1 50 ALA -5.62 3.27 1 52 THR -4.20 2.24 1 53 LEU 3.83 -0.97 1 54 GLU -0.14 -0.06 1 57 VAL -5.35 3.01 1 58 GLU -1.95 1.26 1 59 VAL -2.82 1.36 1 60 ALA -0.58 -0.60 1 61 VAL -0.55 0.12 1 64 ARG 5.16 -4.44 1 65 THR 4.76 -0.56 1 66 GLN -4.34 2.07 1 67 ALA 1.66 -0.60 1 69 ARG 0.91 -0.21 1 70 LYS -2.19 0.86 1 71 LEU -1.52 0.05 1 72 ARG -2.72 1.88 1 73 LEU -0.07 -1.27 1 74 LYS 1.32 -0.87 1 76 LYS -1.28 -0.95 1 78 PHE 3.19 -0.45 1 82 ALA -1.13 -0.17 1 84 ARG -1.77 1.70 1 86 ASP -3.23 2.85 1 87 LEU -5.73 3.48 1 88 TYR -3.08 2.19 1 89 LEU -4.60 1.41 1 90 GLU -2.95 1.44 1 91 VAL 3.13 -0.59 1 92 ARG -2.41 1.49 1 93 ILE 0.14 -2.07 1 94 THR -0.19 0.53 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30632_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.68 _LACS_plot.Line_1_terminator_val_y_1 0.58 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.12 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.21 _LACS_plot.Line_2_terminator_val_x_2 8.64 _LACS_plot.Line_2_terminator_val_y_2 -0.64 _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 39 ALA 8.64 -0.46 0 10 SER -0.82 -0.03 1 11 TYR -0.30 0.05 1 13 ASN -0.27 0.03 1 14 SER 0.35 -0.03 1 15 GLU 0.11 -0.08 1 16 GLU -0.14 -0.08 1 17 ASP 0.10 -0.06 1 22 SER 0.27 -0.02 1 28 SER 1.10 0.01 1 29 GLN 0.67 0.28 1 32 TYR -3.18 0.95 1 33 ALA -5.32 0.60 1 34 THR -0.99 0.64 1 35 LEU -6.68 0.31 1 36 ASP 0.40 0.53 1 37 VAL -3.56 0.05 1 41 ILE 3.70 -0.57 1 42 ALA 4.27 -0.56 1 43 VAL 5.45 -0.38 1 44 VAL 0.59 0.10 1 47 LYS -2.96 0.97 1 48 VAL -5.30 0.38 1 49 ARG -0.61 0.50 1 50 ALA -5.62 0.31 1 52 THR -4.20 0.06 1 53 LEU 3.83 -0.27 1 54 GLU -0.14 0.01 1 57 VAL -5.35 0.34 1 58 GLU -1.95 0.34 1 59 VAL -2.82 0.04 1 60 ALA -0.58 0.19 1 61 VAL -0.55 -0.20 1 64 ARG 5.16 -0.45 1 65 THR 4.76 -0.41 1 66 GLN -4.34 0.10 1 67 ALA 1.66 -0.48 1 69 ARG 0.91 -0.19 1 70 LYS -2.19 1.03 1 71 LEU -1.52 0.32 1 72 ARG -2.72 0.02 1 73 LEU -0.07 0.27 1 74 LYS 1.32 -0.28 1 76 LYS -1.28 0.35 1 82 ALA -1.13 0.28 1 84 ARG -1.77 0.35 1 86 ASP -3.23 0.27 1 87 LEU -5.73 0.55 1 88 TYR -3.08 0.42 1 89 LEU -4.60 0.70 1 90 GLU -2.95 0.41 1 91 VAL 3.13 0.14 1 92 ARG -2.41 0.20 1 93 ILE 0.14 0.85 1 94 THR -0.19 -0.05 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30632_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.68 _LACS_plot.Line_1_terminator_val_y_1 -5.45 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -2.60 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -3.83 _LACS_plot.Line_2_terminator_val_x_2 5.44 _LACS_plot.Line_2_terminator_val_y_2 -1.63 _LACS_plot.Y_axis_chem_shift_offset 3.25 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 43 VAL 5.45 0.35 0 84 ARG -1.77 -0.64 0 52 THR -4.20 -1.62 0 65 THR 4.76 -4.28 0 10 SER -0.82 -3.53 1 11 TYR -0.30 -2.54 1 13 ASN -0.27 -2.58 1 14 SER 0.35 -2.63 1 16 GLU -0.14 -2.92 1 17 ASP 0.10 -1.97 1 25 SER 0.35 -2.01 1 28 SER 1.10 -2.41 1 29 GLN 0.67 -3.70 1 34 THR -0.99 -4.45 1 35 LEU -6.68 -6.75 1 36 ASP 0.40 -3.27 1 41 ILE 3.70 -2.42 1 42 ALA 4.27 -2.80 1 44 VAL 0.59 -1.66 1 47 LYS -2.96 -3.27 1 48 VAL -5.30 -5.05 1 49 ARG -0.61 -4.09 1 50 ALA -5.62 -4.96 1 53 LEU 3.83 -2.46 1 54 GLU -0.14 -3.82 1 58 GLU -1.95 -3.81 1 59 VAL -2.82 -5.03 1 60 ALA -0.58 -4.77 1 64 ARG 5.16 -2.60 1 67 ALA 1.66 -1.72 1 69 ARG 0.91 -4.14 1 70 LYS -2.19 -2.85 1 71 LEU -1.52 -5.43 1 72 ARG -2.72 -4.04 1 73 LEU -0.07 -4.04 1 74 LYS 1.32 -0.57 1 76 LYS -1.28 -3.59 1 82 ALA -1.13 -3.90 1 86 ASP -3.23 -5.95 1 87 LEU -5.73 -6.71 1 88 TYR -3.08 -3.93 1 90 GLU -2.95 -3.34 1 91 VAL 3.13 -2.84 1 92 ARG -2.41 -5.15 1 93 ILE 0.14 -2.23 1 stop_ save_