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 bmr30693_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.95 _LACS_plot.Line_1_terminator_val_y_1 -2.93 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.80 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.17 _LACS_plot.Line_2_terminator_val_x_2 7.60 _LACS_plot.Line_2_terminator_val_y_2 5.40 _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 23 ILE 5.55 1.31 0 11 LYS -0.05 0.23 1 12 THR 0.45 0.48 1 13 ILE -3.09 -1.09 1 14 THR 0.43 0.24 1 15 LEU -6.78 -2.27 1 16 GLU -1.56 -1.61 1 17 VAL -6.95 -3.77 1 18 GLU -3.08 -1.40 1 20 SER -0.66 -1.06 1 21 ASP 1.89 1.66 1 22 THR -3.37 -2.19 1 24 GLU 5.14 4.03 1 25 ASN 3.28 2.72 1 26 VAL 7.60 5.44 1 27 LYS 2.30 2.97 1 28 ALA 4.21 2.82 1 29 LYS 3.52 3.53 1 30 ILE 7.32 5.03 1 31 GLN 6.00 4.31 1 32 ASP 3.11 3.12 1 33 LYS 1.02 1.96 1 34 GLU -4.49 -1.18 1 36 ILE -2.61 -0.90 1 39 ASP 2.82 1.52 1 40 GLN -0.80 -0.15 1 41 GLN -1.44 0.94 1 42 ARG -1.68 -0.95 1 43 LEU -5.28 -2.04 1 44 ILE -4.58 -2.09 1 45 PHE -5.28 -1.31 1 46 ALA 2.65 0.01 1 48 LYS -2.65 -1.58 1 49 GLN 0.63 0.19 1 50 LEU 0.14 -0.85 1 51 GLU -2.55 -0.75 1 52 ASP 2.80 2.50 1 54 ARG -3.42 -1.67 1 55 THR -4.60 -2.06 1 56 LEU 5.70 3.56 1 57 SER 4.05 2.80 1 58 ASP 3.79 3.07 1 59 TYR -0.84 0.32 1 60 ASN 2.59 1.07 1 61 ILE 3.46 1.34 1 62 GLN -4.23 -2.05 1 63 LYS 2.14 1.67 1 64 GLU 5.66 1.83 1 65 SER 1.69 2.84 1 66 THR 0.28 0.62 1 67 LEU -3.33 -1.28 1 68 HIS -2.18 1.23 1 69 LEU -3.21 -1.36 1 70 VAL -3.33 -1.57 1 71 LEU -1.60 -1.21 1 72 ARG -0.60 -0.31 1 73 LEU -0.26 -0.19 1 74 ARG 0.62 0.38 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30693_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.95 _LACS_plot.Line_1_terminator_val_y_1 4.02 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.20 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.83 _LACS_plot.Line_2_terminator_val_x_2 7.60 _LACS_plot.Line_2_terminator_val_y_2 -2.20 _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 23 ILE 5.55 -4.24 0 11 LYS -0.05 0.28 1 12 THR 0.45 0.03 1 13 ILE -3.09 2.00 1 14 THR 0.43 -0.19 1 15 LEU -6.78 4.51 1 16 GLU -1.56 -0.05 1 17 VAL -6.95 3.18 1 18 GLU -3.08 1.68 1 20 SER -0.66 -0.40 1 21 ASP 1.89 -0.23 1 22 THR -3.37 1.18 1 24 GLU 5.14 -1.11 1 25 ASN 3.28 -0.56 1 26 VAL 7.60 -2.16 1 27 LYS 2.30 0.67 1 28 ALA 4.21 -1.39 1 29 LYS 3.52 0.01 1 30 ILE 7.32 -2.29 1 31 GLN 6.00 -1.69 1 32 ASP 3.11 0.01 1 33 LYS 1.02 0.94 1 34 GLU -4.49 3.31 1 36 ILE -2.61 1.71 1 39 ASP 2.82 -1.30 1 40 GLN -0.80 0.65 1 41 GLN -1.44 2.38 1 42 ARG -1.68 0.73 1 43 LEU -5.28 3.24 1 44 ILE -4.58 2.49 1 45 PHE -5.28 3.97 1 46 ALA 2.65 -2.64 1 48 LYS -2.65 1.07 1 49 GLN 0.63 -0.44 1 50 LEU 0.14 -0.99 1 51 GLU -2.55 1.80 1 52 ASP 2.80 -0.30 1 54 ARG -3.42 1.75 1 55 THR -4.60 2.54 1 56 LEU 5.70 -2.14 1 57 SER 4.05 -1.25 1 58 ASP 3.79 -0.72 1 59 TYR -0.84 1.16 1 60 ASN 2.59 -1.52 1 61 ILE 3.46 -2.12 1 62 GLN -4.23 2.18 1 63 LYS 2.14 -0.47 1 64 GLU 5.66 -3.83 1 65 SER 1.69 1.15 1 66 THR 0.28 0.34 1 67 LEU -3.33 2.05 1 68 HIS -2.18 3.41 1 69 LEU -3.21 1.85 1 70 VAL -3.33 1.76 1 71 LEU -1.60 0.39 1 72 ARG -0.60 0.29 1 73 LEU -0.26 0.07 1 74 ARG 0.62 -0.24 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30693_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.95 _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 -0.12 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.31 _LACS_plot.Line_2_terminator_val_x_2 7.60 _LACS_plot.Line_2_terminator_val_y_2 -0.72 _LACS_plot.Y_axis_chem_shift_offset -0.09 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 66 THR 0.28 0.94 0 11 LYS -0.05 0.04 1 12 THR 0.45 0.72 1 13 ILE -3.09 0.35 1 14 THR 0.43 0.62 1 15 LEU -6.78 0.42 1 16 GLU -1.56 0.54 1 17 VAL -6.95 0.59 1 18 GLU -3.08 0.44 1 20 SER -0.66 -0.10 1 21 ASP 1.89 0.05 1 22 THR -3.37 0.56 1 23 ILE 5.55 -0.53 1 24 GLU 5.14 -0.46 1 25 ASN 3.28 -0.19 1 26 VAL 7.60 -0.72 1 27 LYS 2.30 0.26 1 28 ALA 4.21 -0.16 1 29 LYS 3.52 -0.12 1 30 ILE 7.32 -0.66 1 31 GLN 6.00 -0.51 1 32 ASP 3.11 -0.30 1 33 LYS 1.02 0.00 1 34 GLU -4.49 0.23 1 36 ILE -2.61 -0.03 1 39 ASP 2.82 -0.22 1 40 GLN -0.80 0.15 1 41 GLN -1.44 -0.12 1 42 ARG -1.68 0.15 1 43 LEU -5.28 1.03 1 44 ILE -4.58 0.78 1 45 PHE -5.28 0.54 1 46 ALA 2.65 -0.61 1 48 LYS -2.65 0.29 1 49 GLN 0.63 0.20 1 50 LEU 0.14 -0.25 1 51 GLU -2.55 0.15 1 52 ASP 2.80 -0.26 1 54 ARG -3.42 0.38 1 55 THR -4.60 0.88 1 56 LEU 5.70 -0.28 1 57 SER 4.05 -0.22 1 58 ASP 3.79 -0.35 1 59 TYR -0.84 0.10 1 60 ASN 2.59 -0.39 1 61 ILE 3.46 -0.78 1 62 GLN -4.23 0.18 1 63 LYS 2.14 -0.34 1 64 GLU 5.66 -1.00 1 65 SER 1.69 0.17 1 67 LEU -3.33 0.74 1 68 HIS -2.18 0.43 1 69 LEU -3.21 0.83 1 70 VAL -3.33 0.25 1 71 LEU -1.60 0.70 1 72 ARG -0.60 -0.04 1 73 LEU -0.26 0.06 1 74 ARG 0.62 -0.01 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30693_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.95 _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 0.64 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.59 _LACS_plot.Line_2_terminator_val_x_2 7.60 _LACS_plot.Line_2_terminator_val_y_2 2.21 _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 27 LYS 2.30 3.95 0 55 THR -4.60 1.86 0 64 GLU 5.66 -1.35 0 11 LYS -0.05 -0.66 1 12 THR 0.45 -0.38 1 13 ILE -3.09 -1.18 1 14 THR 0.43 -0.91 1 15 LEU -6.78 -2.93 1 16 GLU -1.56 -0.74 1 17 VAL -6.95 -2.14 1 18 GLU -3.08 1.26 1 20 SER -0.66 0.06 1 21 ASP 1.89 0.06 1 22 THR -3.37 2.05 1 23 ILE 5.55 2.64 1 24 GLU 5.14 2.04 1 25 ASN 3.28 3.18 1 26 VAL 7.60 1.65 1 28 ALA 4.21 2.50 1 29 LYS 3.52 3.72 1 30 ILE 7.32 1.91 1 31 GLN 6.00 2.89 1 32 ASP 3.11 0.95 1 33 LYS 1.02 1.27 1 34 GLU -4.49 1.24 1 36 ILE -2.61 -1.41 1 39 ASP 2.82 0.79 1 40 GLN -0.80 -0.62 1 41 GLN -1.44 0.30 1 42 ARG -1.68 -2.25 1 43 LEU -5.28 -2.31 1 44 ILE -4.58 -0.34 1 45 PHE -5.28 -1.33 1 46 ALA 2.65 -0.51 1 48 LYS -2.65 -1.90 1 49 GLN 0.63 -0.33 1 50 LEU 0.14 -0.94 1 51 GLU -2.55 -0.73 1 52 ASP 2.80 1.03 1 54 ARG -3.42 -0.95 1 56 LEU 5.70 3.21 1 57 SER 4.05 3.71 1 58 ASP 3.79 1.10 1 59 TYR -0.84 -1.20 1 60 ASN 2.59 -0.86 1 61 ILE 3.46 -1.79 1 62 GLN -4.23 -0.03 1 63 LYS 2.14 -0.79 1 65 SER 1.69 -2.44 1 66 THR 0.28 -0.75 1 67 LEU -3.33 -1.83 1 68 HIS -2.18 -0.95 1 69 LEU -3.21 -2.33 1 70 VAL -3.33 -2.30 1 71 LEU -1.60 0.23 1 72 ARG -0.60 -0.95 1 73 LEU -0.26 -0.15 1 74 ARG 0.62 0.57 1 stop_ save_