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 bmr15701_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.18 _LACS_plot.Line_1_terminator_val_y_1 -3.24 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.00 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.43 _LACS_plot.Line_2_terminator_val_x_2 5.47 _LACS_plot.Line_2_terminator_val_y_2 4.28 _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 52 HIS -2.90 2.23 0 11 MET 1.61 0.60 1 12 THR 4.01 3.25 1 13 ARG 2.69 1.90 1 14 TYR 2.41 1.82 1 15 TRP 0.42 0.44 1 16 ARG 1.85 1.59 1 17 GLN 2.55 1.71 1 18 LEU 2.32 1.55 1 19 ASP 2.03 1.80 1 20 ASP 2.03 1.80 1 21 GLU 0.18 0.47 1 22 VAL 0.65 0.27 1 23 ALA 0.15 0.16 1 24 GLN -0.30 -0.05 1 25 THR 0.09 0.08 1 27 MET -0.79 -0.48 1 29 SER 3.01 2.60 1 30 GLU 2.31 1.40 1 31 TYR -0.49 -0.29 1 32 GLN 1.73 1.52 1 33 ASN 0.78 0.27 1 34 MET -0.82 0.43 1 35 THR -2.74 -1.43 1 36 VAL -5.60 -2.46 1 37 ASP -0.92 -1.06 1 38 ILE -6.19 -1.84 1 39 LEU -5.02 -2.04 1 41 ASN 1.95 1.76 1 42 ASP 1.64 2.45 1 44 ASN 3.28 2.35 1 46 ARG -2.91 -1.54 1 47 SER -3.17 -0.58 1 48 THR 0.03 0.55 1 49 VAL -7.18 -3.66 1 50 GLN 0.31 0.16 1 51 PHE 0.65 1.15 1 53 ILE 1.56 1.68 1 54 LEU 0.97 0.33 1 56 MET -2.66 -0.29 1 57 LYS -1.67 -1.35 1 59 LYS 1.67 1.65 1 60 ILE 3.18 2.89 1 62 GLU 5.47 2.36 1 63 SER -0.55 -0.17 1 64 TYR 1.58 1.13 1 65 ASN 1.65 -1.37 1 66 THR -6.18 -3.15 1 67 ALA -4.89 -1.43 1 68 GLN 2.06 1.91 1 69 ALA -1.07 -0.42 1 72 ARG -0.30 -0.30 1 73 ARG -0.23 -0.44 1 74 ILE -0.19 -0.07 1 75 SER -0.61 -0.41 1 76 LEU 0.52 0.41 1 77 ASP 0.19 0.34 1 78 GLN -0.77 -0.25 1 79 GLN 2.27 2.90 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15701_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.18 _LACS_plot.Line_1_terminator_val_y_1 3.94 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.00 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.57 _LACS_plot.Line_2_terminator_val_x_2 5.47 _LACS_plot.Line_2_terminator_val_y_2 -1.19 _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 52 HIS -2.90 5.13 0 11 MET 1.61 -1.01 1 12 THR 4.01 -0.76 1 13 ARG 2.69 -0.79 1 14 TYR 2.41 -0.59 1 15 TRP 0.42 0.02 1 16 ARG 1.85 -0.26 1 17 GLN 2.55 -0.84 1 18 LEU 2.32 -0.77 1 19 ASP 2.03 -0.23 1 20 ASP 2.03 -0.23 1 21 GLU 0.18 0.29 1 22 VAL 0.65 -0.38 1 23 ALA 0.15 0.01 1 24 GLN -0.30 0.25 1 25 THR 0.09 -0.01 1 27 MET -0.79 0.31 1 29 SER 3.01 -0.41 1 30 GLU 2.31 -0.91 1 31 TYR -0.49 0.20 1 32 GLN 1.73 -0.21 1 33 ASN 0.78 -0.51 1 34 MET -0.82 1.25 1 35 THR -2.74 1.31 1 36 VAL -5.60 3.14 1 37 ASP -0.92 -0.14 1 38 ILE -6.19 4.35 1 39 LEU -5.02 2.98 1 41 ASN 1.95 -0.19 1 42 ASP 1.64 0.81 1 44 ASN 3.28 -0.93 1 46 ARG -2.91 1.37 1 47 SER -3.17 2.59 1 48 THR 0.03 0.52 1 49 VAL -7.18 3.52 1 50 GLN 0.31 -0.15 1 51 PHE 0.65 0.50 1 53 ILE 1.56 0.12 1 54 LEU 0.97 -0.64 1 56 MET -2.66 2.37 1 57 LYS -1.67 0.32 1 59 LYS 1.67 -0.02 1 60 ILE 3.18 -0.29 1 62 GLU 5.47 -3.11 1 63 SER -0.55 0.38 1 64 TYR 1.58 -0.45 1 65 ASN 1.65 -3.02 1 66 THR -6.18 3.03 1 67 ALA -4.89 3.46 1 68 GLN 2.06 -0.15 1 69 ALA -1.07 0.65 1 72 ARG -0.30 0.00 1 73 ARG -0.23 -0.21 1 74 ILE -0.19 0.12 1 75 SER -0.61 0.20 1 76 LEU 0.52 -0.11 1 77 ASP 0.19 0.15 1 78 GLN -0.77 0.52 1 79 GLN 2.27 0.63 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15701_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.18 _LACS_plot.Line_1_terminator_val_y_1 0.63 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.21 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.14 _LACS_plot.Line_2_terminator_val_x_2 5.47 _LACS_plot.Line_2_terminator_val_y_2 -0.50 _LACS_plot.Y_axis_chem_shift_offset 0.03 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 52 HIS -2.90 -0.63 0 57 LYS -1.67 -0.80 0 11 MET 1.61 -0.12 1 12 THR 4.01 -0.34 1 13 ARG 2.69 -0.28 1 14 TYR 2.41 -0.22 1 15 TRP 0.42 -0.05 1 16 ARG 1.85 -0.15 1 17 GLN 2.55 -0.22 1 18 LEU 2.32 -0.28 1 19 ASP 2.03 -0.20 1 20 ASP 2.03 -0.20 1 21 GLU 0.18 -0.14 1 22 VAL 0.65 -0.10 1 23 ALA 0.15 -0.06 1 24 GLN -0.30 0.00 1 25 THR 0.09 0.01 1 27 MET -0.79 -0.03 1 29 SER 3.01 -0.35 1 30 GLU 2.31 -0.24 1 31 TYR -0.49 0.09 1 32 GLN 1.73 -0.19 1 33 ASN 0.78 -0.05 1 34 MET -0.82 0.14 1 35 THR -2.74 0.68 1 36 VAL -5.60 0.44 1 37 ASP -0.92 0.83 1 38 ILE -6.19 0.89 1 39 LEU -5.02 0.49 1 41 ASN 1.95 -0.12 1 42 ASP 1.64 0.30 1 44 ASN 3.28 0.03 1 46 ARG -2.91 1.08 1 47 SER -3.17 0.32 1 48 THR 0.03 0.86 1 49 VAL -7.18 0.68 1 50 GLN 0.31 0.11 1 51 PHE 0.65 -0.19 1 53 ILE 1.56 -0.41 1 54 LEU 0.97 0.03 1 56 MET -2.66 0.02 1 59 LYS 1.67 -0.30 1 60 ILE 3.18 -0.33 1 62 GLU 5.47 -0.52 1 63 SER -0.55 -0.08 1 64 TYR 1.58 0.06 1 65 ASN 1.65 0.27 1 66 THR -6.18 0.61 1 67 ALA -4.89 0.37 1 68 GLN 2.06 0.04 1 69 ALA -1.07 0.05 1 72 ARG -0.30 0.00 1 73 ARG -0.23 0.01 1 74 ILE -0.19 -0.01 1 75 SER -0.61 -0.02 1 76 LEU 0.52 -0.04 1 77 ASP 0.19 -0.11 1 78 GLN -0.77 -0.03 1 79 GLN 2.27 -0.32 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15701_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.18 _LACS_plot.Line_1_terminator_val_y_1 -5.40 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -2.41 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -3.78 _LACS_plot.Line_2_terminator_val_x_2 5.47 _LACS_plot.Line_2_terminator_val_y_2 -1.16 _LACS_plot.Y_axis_chem_shift_offset 3.07 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 62 GLU 5.47 -5.88 0 11 MET 1.61 -1.94 1 12 THR 4.01 -1.51 1 13 ARG 2.69 -1.58 1 14 TYR 2.41 -1.81 1 15 TRP 0.42 -1.97 1 17 GLN 2.55 -1.17 1 18 LEU 2.32 -3.22 1 19 ASP 2.03 -1.77 1 21 GLU 0.18 -2.49 1 22 VAL 0.65 -2.96 1 23 ALA 0.15 -2.87 1 24 GLN -0.30 -3.00 1 30 GLU 2.31 -2.67 1 31 TYR -0.49 -2.53 1 32 GLN 1.73 -2.90 1 34 MET -0.82 -3.90 1 35 THR -2.74 -3.50 1 36 VAL -5.60 -5.78 1 37 ASP -0.92 -2.49 1 38 ILE -6.19 -4.70 1 39 LEU -5.02 -5.25 1 41 ASN 1.95 -2.92 1 42 ASP 1.64 -1.90 1 44 ASN 3.28 -3.85 1 46 ARG -2.91 -3.40 1 47 SER -3.17 -3.77 1 48 THR 0.03 -2.78 1 49 VAL -7.18 -4.60 1 50 GLN 0.31 -2.73 1 51 PHE 0.65 -3.83 1 54 LEU 0.97 -3.14 1 56 MET -2.66 -5.98 1 57 LYS -1.67 -4.37 1 59 LYS 1.67 -3.14 1 60 ILE 3.18 -1.48 1 64 TYR 1.58 -1.76 1 65 ASN 1.65 -4.40 1 66 THR -6.18 -5.64 1 67 ALA -4.89 -4.16 1 68 GLN 2.06 -2.68 1 69 ALA -1.07 -3.17 1 72 ARG -0.30 -2.95 1 73 ARG -0.23 -3.10 1 74 ILE -0.19 -3.17 1 75 SER -0.61 -2.98 1 76 LEU 0.52 -3.87 1 77 ASP 0.19 -3.11 1 78 GLN -0.77 -4.19 1 stop_ save_