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 bmr17305_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -1.35 _LACS_plot.Line_1_terminator_val_y_1 -0.38 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.99 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.41 _LACS_plot.Line_2_terminator_val_x_2 8.00 _LACS_plot.Line_2_terminator_val_y_2 6.19 _LACS_plot.Y_axis_chem_shift_offset -0.14 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 84 ARG -0.45 -4.94 0 10 ASP 0.73 0.55 1 12 LEU 3.89 3.11 1 14 ARG 4.63 3.59 1 15 LEU 3.89 3.57 1 17 THR 6.16 5.17 1 18 TYR 5.56 5.15 1 19 LEU 3.67 2.65 1 20 GLU 1.88 1.84 1 21 GLU 0.56 0.52 1 22 LEU 1.14 -0.57 1 23 GLU -1.35 -0.93 1 24 ALA 5.78 4.33 1 25 VAL 4.57 2.92 1 26 GLU 1.19 1.61 1 27 LEU 5.05 2.65 1 28 LYS 5.47 4.31 1 29 LYS 4.32 4.08 1 30 PHE 3.33 3.50 1 31 LYS 2.71 3.85 1 32 LEU 3.43 2.88 1 33 TYR 4.87 3.54 1 34 LEU 2.74 1.96 1 36 THR -0.53 0.33 1 37 ALA 1.17 0.64 1 38 THR 1.55 1.25 1 39 GLU 2.11 1.15 1 40 LEU 0.43 0.11 1 42 GLU 0.73 0.23 1 44 LYS 0.18 0.40 1 45 ILE -0.87 -0.26 1 47 TRP 3.09 2.78 1 49 SER 2.73 1.98 1 50 MET -1.06 0.97 1 51 GLU 4.64 4.14 1 52 LYS 0.40 -0.76 1 53 ALA 0.02 0.41 1 56 LEU 4.82 3.34 1 57 GLU 3.95 3.22 1 58 MET 2.16 0.51 1 59 ALA 3.59 3.29 1 60 GLN 4.12 3.20 1 61 LEU 3.20 3.34 1 62 LEU 3.43 3.57 1 63 ILE 5.58 4.48 1 64 THR 5.93 4.94 1 65 HIS 3.73 4.82 1 66 PHE -0.35 0.74 1 69 GLU 4.41 3.68 1 70 GLU 2.34 1.15 1 71 ALA 2.79 3.41 1 72 TRP 1.14 1.63 1 73 ARG 4.86 4.05 1 74 LEU 2.51 1.96 1 75 ALA 4.39 3.17 1 76 LEU 4.59 3.11 1 77 SER 3.89 2.68 1 78 THR 8.00 5.40 1 79 PHE 3.56 0.51 1 80 GLU 4.64 3.68 1 81 ARG 2.56 1.98 1 82 ILE 1.20 -0.36 1 83 ASN 3.77 1.65 1 85 LYS 3.86 2.93 1 86 ASP 4.88 2.17 1 87 LEU 2.74 1.96 1 88 TRP 5.06 4.40 1 89 GLU 3.49 2.99 1 90 ARG 3.24 3.59 1 92 GLN 2.74 1.82 1 93 ARG 1.41 1.06 1 94 GLU 1.42 0.92 1 95 ASP 0.96 0.55 1 96 LEU 0.89 0.57 1 97 VAL 1.35 0.62 1 98 ARG -0.20 -0.09 1 99 ASP 0.26 0.32 1 100 THR -0.29 -0.13 1 101 VAL 0.20 -0.07 1 102 GLU 0.30 1.39 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17305_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -1.35 _LACS_plot.Line_1_terminator_val_y_1 0.97 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.01 _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 8.00 _LACS_plot.Line_2_terminator_val_y_2 -1.81 _LACS_plot.Y_axis_chem_shift_offset -0.14 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 84 ARG -0.45 -4.49 0 10 ASP 0.73 -0.18 1 12 LEU 3.89 -0.78 1 14 ARG 4.63 -1.04 1 15 LEU 3.89 -0.32 1 17 THR 6.16 -0.99 1 18 TYR 5.56 -0.41 1 19 LEU 3.67 -1.02 1 20 GLU 1.88 -0.04 1 21 GLU 0.56 -0.04 1 22 LEU 1.14 -1.71 1 23 GLU -1.35 0.42 1 24 ALA 5.78 -1.45 1 25 VAL 4.57 -1.65 1 26 GLU 1.19 0.42 1 27 LEU 5.05 -2.40 1 28 LYS 5.47 -1.16 1 29 LYS 4.32 -0.24 1 30 PHE 3.33 0.17 1 31 LYS 2.71 1.14 1 32 LEU 3.43 -0.55 1 33 TYR 4.87 -1.33 1 34 LEU 2.74 -0.78 1 36 THR -0.53 0.86 1 37 ALA 1.17 -0.53 1 38 THR 1.55 -0.30 1 39 GLU 2.11 -0.96 1 40 LEU 0.43 -0.32 1 42 GLU 0.73 -0.50 1 44 LYS 0.18 0.22 1 45 ILE -0.87 0.61 1 47 TRP 3.09 -0.31 1 49 SER 2.73 -0.75 1 50 MET -1.06 2.03 1 51 GLU 4.64 -0.50 1 52 LYS 0.40 -1.16 1 53 ALA 0.02 0.39 1 56 LEU 4.82 -1.48 1 57 GLU 3.95 -0.73 1 58 MET 2.16 -1.65 1 59 ALA 3.59 -0.30 1 60 GLN 4.12 -0.92 1 61 LEU 3.20 0.14 1 62 LEU 3.43 0.14 1 63 ILE 5.58 -1.10 1 64 THR 5.93 -0.99 1 65 HIS 3.73 1.09 1 66 PHE -0.35 1.09 1 69 GLU 4.41 -0.73 1 70 GLU 2.34 -1.19 1 71 ALA 2.79 0.62 1 72 TRP 1.14 0.49 1 73 ARG 4.86 -0.81 1 74 LEU 2.51 -0.55 1 75 ALA 4.39 -1.22 1 76 LEU 4.59 -1.48 1 77 SER 3.89 -1.21 1 78 THR 8.00 -2.60 1 79 PHE 3.56 -3.05 1 80 GLU 4.64 -0.96 1 81 ARG 2.56 -0.58 1 82 ILE 1.20 -1.56 1 83 ASN 3.77 -2.12 1 85 LYS 3.86 -0.93 1 86 ASP 4.88 -2.71 1 87 LEU 2.74 -0.78 1 88 TRP 5.06 -0.66 1 89 GLU 3.49 -0.50 1 90 ARG 3.24 0.35 1 92 GLN 2.74 -0.92 1 93 ARG 1.41 -0.35 1 94 GLU 1.42 -0.50 1 95 ASP 0.96 -0.41 1 96 LEU 0.89 -0.32 1 97 VAL 1.35 -0.73 1 98 ARG -0.20 0.11 1 99 ASP 0.26 0.06 1 100 THR -0.29 0.16 1 101 VAL 0.20 -0.27 1 102 GLU 0.30 1.09 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17305_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -1.35 _LACS_plot.Line_1_terminator_val_y_1 -0.07 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.31 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.01 _LACS_plot.Line_2_terminator_val_x_2 8.00 _LACS_plot.Line_2_terminator_val_y_2 -0.76 _LACS_plot.Y_axis_chem_shift_offset 0.16 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 51 GLU 4.64 -1.32 0 10 ASP 0.73 -0.28 1 12 LEU 3.89 -0.47 1 14 ARG 4.63 -0.36 1 15 LEU 3.89 -0.13 1 17 THR 6.16 -0.46 1 18 TYR 5.56 -0.70 1 19 LEU 3.67 -0.47 1 20 GLU 1.88 -0.47 1 21 GLU 0.56 -0.30 1 22 LEU 1.14 -0.13 1 23 GLU -1.35 -0.04 1 24 ALA 5.78 -0.29 1 25 VAL 4.57 -0.19 1 26 GLU 1.19 -0.38 1 27 LEU 5.05 -0.25 1 28 LYS 5.47 -0.25 1 29 LYS 4.32 -0.38 1 30 PHE 3.33 -0.82 1 31 LYS 2.71 -0.47 1 32 LEU 3.43 -0.36 1 33 TYR 4.87 -0.55 1 34 LEU 2.74 -0.58 1 36 THR -0.53 -0.04 1 37 ALA 1.17 -0.22 1 38 THR 1.55 -0.25 1 39 GLU 2.11 -0.25 1 40 LEU 0.43 -0.17 1 42 GLU 0.73 -0.19 1 44 LYS 0.18 -0.20 1 45 ILE -0.87 -0.62 1 47 TRP 3.09 -0.48 1 49 SER 2.73 -0.21 1 50 MET -1.06 -0.38 1 52 LYS 0.40 -0.10 1 53 ALA 0.02 -0.30 1 56 LEU 4.82 -0.34 1 57 GLU 3.95 -0.43 1 58 MET 2.16 -0.18 1 59 ALA 3.59 -0.52 1 60 GLN 4.12 -0.50 1 61 LEU 3.20 -0.30 1 62 LEU 3.43 -0.29 1 63 ILE 5.58 -0.86 1 64 THR 5.93 -0.60 1 65 HIS 3.73 -0.78 1 66 PHE -0.35 0.13 1 69 GLU 4.41 -0.25 1 70 GLU 2.34 -0.10 1 71 ALA 2.79 -0.66 1 72 TRP 1.14 -0.23 1 73 ARG 4.86 -0.87 1 74 LEU 2.51 -0.59 1 75 ALA 4.39 -0.84 1 76 LEU 4.59 -0.78 1 77 SER 3.89 -0.34 1 78 THR 8.00 -1.01 1 79 PHE 3.56 -0.11 1 80 GLU 4.64 -0.93 1 81 ARG 2.56 -0.44 1 82 ILE 1.20 0.26 1 83 ASN 3.77 -0.46 1 84 ARG -0.45 0.44 1 85 LYS 3.86 -0.44 1 86 ASP 4.88 -0.36 1 87 LEU 2.74 -0.34 1 88 TRP 5.06 -0.49 1 89 GLU 3.49 -0.89 1 90 ARG 3.24 -0.52 1 92 GLN 2.74 -0.55 1 93 ARG 1.41 -0.22 1 94 GLU 1.42 -0.32 1 95 ASP 0.96 -0.19 1 96 LEU 0.89 -0.24 1 97 VAL 1.35 -0.21 1 98 ARG -0.20 -0.12 1 99 ASP 0.26 -0.12 1 100 THR -0.29 -0.10 1 101 VAL 0.20 -0.08 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17305_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -1.35 _LACS_plot.Line_1_terminator_val_y_1 -2.86 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.68 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -3.07 _LACS_plot.Line_2_terminator_val_x_2 6.15 _LACS_plot.Line_2_terminator_val_y_2 -0.23 _LACS_plot.Y_axis_chem_shift_offset 2.38 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 102 GLU 0.30 -47.06 0 10 ASP 0.73 -2.16 1 12 LEU 3.89 -2.03 1 14 ARG 4.63 -1.48 1 15 LEU 3.89 -1.86 1 17 THR 6.16 -0.54 1 18 TYR 5.56 -0.54 1 19 LEU 3.67 -0.32 1 20 GLU 1.88 -2.58 1 21 GLU 0.56 -1.44 1 22 LEU 1.14 -1.87 1 23 GLU -1.35 -1.61 1 24 ALA 5.78 1.43 1 25 VAL 4.57 -1.27 1 26 GLU 1.19 -1.10 1 27 LEU 5.05 -1.87 1 28 LYS 5.47 -0.63 1 29 LYS 4.32 -1.06 1 30 PHE 3.33 -2.46 1 31 LYS 2.71 -0.66 1 32 LEU 3.43 -0.11 1 33 TYR 4.87 -0.64 1 34 LEU 2.74 -1.92 1 36 THR -0.53 -2.57 1 37 ALA 1.17 -2.06 1 38 THR 1.55 -1.34 1 39 GLU 2.11 -2.63 1 40 LEU 0.43 -2.32 1 42 GLU 0.73 -2.44 1 44 LYS 0.18 -3.25 1 45 ILE -0.87 -3.75 1 47 TRP 3.09 -0.45 1 50 MET -1.06 -1.69 1 51 GLU 4.64 -1.67 1 52 LYS 0.40 -3.14 1 53 ALA 0.02 -2.12 1 56 LEU 4.82 -1.33 1 57 GLU 3.95 0.52 1 58 MET 2.16 -1.44 1 59 ALA 3.59 0.61 1 60 GLN 4.12 0.00 1 61 LEU 3.20 -0.93 1 62 LEU 3.43 -1.49 1 63 ILE 5.58 0.29 1 64 THR 5.93 -1.81 1 65 HIS 3.73 -0.26 1 66 PHE -0.35 -1.43 1 69 GLU 4.41 0.11 1 70 GLU 2.34 1.68 1 71 ALA 2.79 -2.04 1 72 TRP 1.14 -2.66 1 73 ARG 4.86 0.93 1 74 LEU 2.51 -0.29 1 75 ALA 4.39 -3.16 1 76 LEU 4.59 -1.05 1 79 PHE 3.56 -0.57 1 80 GLU 4.64 -0.56 1 81 ARG 2.56 -1.04 1 82 ILE 1.20 -4.48 1 83 ASN 3.77 -2.82 1 84 ARG -0.45 -1.97 1 87 LEU 2.74 -1.56 1 88 TRP 5.06 -1.58 1 89 GLU 3.49 0.09 1 90 ARG 3.24 0.44 1 92 GLN 2.74 -1.03 1 93 ARG 1.41 -1.56 1 94 GLU 1.42 -2.29 1 97 VAL 1.35 -2.79 1 98 ARG -0.20 -3.05 1 100 THR -0.29 -3.17 1 101 VAL 0.20 -3.77 1 stop_ save_