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 bmr17482_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -1.20 _LACS_plot.Line_1_terminator_val_y_1 -0.37 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.44 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.28 _LACS_plot.Line_2_terminator_val_x_2 6.05 _LACS_plot.Line_2_terminator_val_y_2 4.93 _LACS_plot.Y_axis_chem_shift_offset -0.28 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 35 ASP 2.13 2.86 0 36 LYS 1.86 0.67 0 11 GLU 2.37 2.37 1 12 LYS 2.85 2.14 1 13 ALA 2.87 2.23 1 14 SER 3.41 2.86 1 15 GLU 1.37 1.41 1 16 ALA 0.83 1.27 1 17 LEU -0.33 -0.17 1 18 LYS 0.37 0.29 1 20 ASP 0.17 0.30 1 21 SER 0.73 0.79 1 22 GLN 1.25 1.04 1 23 LYS -0.63 0.01 1 24 SER -0.16 -0.15 1 25 TYR 4.03 3.05 1 26 ALA 3.67 3.04 1 27 GLU 2.91 2.88 1 28 GLN 3.16 3.14 1 30 LYS 4.87 4.20 1 31 GLU 3.30 2.93 1 32 TYR 3.69 3.82 1 33 ILE 3.61 2.92 1 34 THR 5.62 4.66 1 37 ALA 3.46 2.83 1 38 ASP 2.58 2.53 1 39 LYS 2.47 2.03 1 40 VAL 2.78 2.21 1 41 ALA 2.53 2.03 1 43 LYS 0.30 0.60 1 44 VAL 0.39 0.13 1 45 GLN -0.57 -0.04 1 47 GLU 0.44 0.87 1 48 ASP 0.35 0.38 1 49 ASN 0.40 0.63 1 50 LYS 0.70 0.63 1 52 VAL 2.82 2.15 1 53 PHE 1.95 0.98 1 54 GLN 1.75 1.85 1 56 VAL 2.51 1.80 1 57 HIS 1.36 1.97 1 58 ASP 0.68 0.82 1 59 SER 0.93 0.91 1 60 ALA 1.08 1.06 1 61 GLU 0.29 0.62 1 62 LYS 0.79 0.63 1 64 LYS 0.51 0.53 1 65 ASP 0.51 0.58 1 66 ASN 0.16 0.38 1 67 ALA 0.22 0.55 1 68 GLU -0.06 0.20 1 70 GLN 0.12 0.35 1 72 GLU -0.81 0.02 1 73 SER -1.20 -0.24 1 74 LEU 3.27 2.80 1 75 ALA 3.28 2.77 1 76 ASP 3.38 2.93 1 77 GLN 2.60 2.68 1 78 ALA 3.07 2.63 1 79 ARG 4.25 3.50 1 80 ASP 3.45 2.68 1 81 TYR 3.25 2.93 1 82 MET 3.63 3.36 1 84 ALA 2.71 2.15 1 85 ALA 3.39 2.78 1 86 LYS 4.76 3.99 1 87 SER 4.05 3.31 1 88 LYS 2.59 1.50 1 89 LEU 3.87 3.10 1 90 ASN 4.02 4.07 1 91 ASP 4.16 3.24 1 92 ALA 3.64 3.04 1 93 VAL 6.06 4.96 1 94 GLU 3.40 3.03 1 95 TYR 3.83 3.66 1 96 VAL 5.36 4.48 1 97 SER 4.04 3.50 1 99 ARG 1.82 1.13 1 100 VAL 2.30 1.73 1 101 HIS 0.34 0.86 1 103 GLU -0.98 -0.15 1 104 GLU -0.87 -0.12 1 105 ASP -1.18 -0.47 1 107 THR 1.31 1.10 1 108 LYS 0.19 0.05 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17482_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -1.20 _LACS_plot.Line_1_terminator_val_y_1 0.83 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.56 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.72 _LACS_plot.Line_2_terminator_val_x_2 6.05 _LACS_plot.Line_2_terminator_val_y_2 -1.12 _LACS_plot.Y_axis_chem_shift_offset -0.28 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 35 ASP 2.13 0.73 0 36 LYS 1.86 -1.19 0 11 GLU 2.37 0.00 1 12 LYS 2.85 -0.71 1 13 ALA 2.87 -0.64 1 14 SER 3.41 -0.55 1 15 GLU 1.37 0.04 1 16 ALA 0.83 0.44 1 17 LEU -0.33 0.16 1 18 LYS 0.37 -0.08 1 20 ASP 0.17 0.13 1 21 SER 0.73 0.06 1 22 GLN 1.25 -0.21 1 23 LYS -0.63 0.64 1 24 SER -0.16 0.01 1 25 TYR 4.03 -0.98 1 26 ALA 3.67 -0.63 1 27 GLU 2.91 -0.03 1 28 GLN 3.16 -0.02 1 30 LYS 4.87 -0.67 1 31 GLU 3.30 -0.37 1 32 TYR 3.69 0.13 1 33 ILE 3.61 -0.69 1 34 THR 5.62 -0.96 1 37 ALA 3.46 -0.63 1 38 ASP 2.58 -0.05 1 39 LYS 2.47 -0.44 1 40 VAL 2.78 -0.57 1 41 ALA 2.53 -0.50 1 43 LYS 0.30 0.30 1 44 VAL 0.39 -0.26 1 45 GLN -0.57 0.53 1 47 GLU 0.44 0.43 1 48 ASP 0.35 0.03 1 49 ASN 0.40 0.23 1 50 LYS 0.70 -0.07 1 52 VAL 2.82 -0.67 1 53 PHE 1.95 -0.97 1 54 GLN 1.75 0.10 1 56 VAL 2.51 -0.71 1 57 HIS 1.36 0.61 1 58 ASP 0.68 0.14 1 59 SER 0.93 -0.02 1 60 ALA 1.08 -0.02 1 61 GLU 0.29 0.33 1 62 LYS 0.79 -0.16 1 64 LYS 0.51 0.02 1 65 ASP 0.51 0.07 1 66 ASN 0.16 0.22 1 67 ALA 0.22 0.33 1 68 GLU -0.06 0.26 1 70 GLN 0.12 0.23 1 72 GLU -0.81 0.83 1 73 SER -1.20 0.96 1 74 LEU 3.27 -0.47 1 75 ALA 3.28 -0.51 1 76 ASP 3.38 -0.45 1 77 GLN 2.60 0.08 1 78 ALA 3.07 -0.44 1 79 ARG 4.25 -0.75 1 80 ASP 3.45 -0.77 1 81 TYR 3.25 -0.32 1 82 MET 3.63 -0.27 1 84 ALA 2.71 -0.56 1 85 ALA 3.39 -0.61 1 86 LYS 4.76 -0.77 1 87 SER 4.05 -0.74 1 88 LYS 2.59 -1.09 1 89 LEU 3.87 -0.77 1 90 ASN 4.02 0.05 1 91 ASP 4.16 -0.92 1 92 ALA 3.64 -0.60 1 93 VAL 6.06 -1.10 1 94 GLU 3.40 -0.37 1 95 TYR 3.83 -0.17 1 96 VAL 5.36 -0.88 1 97 SER 4.04 -0.54 1 99 ARG 1.82 -0.69 1 100 VAL 2.30 -0.57 1 101 HIS 0.34 0.52 1 103 GLU -0.98 0.83 1 104 GLU -0.87 0.75 1 105 ASP -1.18 0.71 1 107 THR 1.31 -0.21 1 108 LYS 0.19 -0.14 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17482_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -1.20 _LACS_plot.Line_1_terminator_val_y_1 0.06 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.15 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.12 _LACS_plot.Line_2_terminator_val_x_2 6.05 _LACS_plot.Line_2_terminator_val_y_2 -0.44 _LACS_plot.Y_axis_chem_shift_offset 0.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 96 VAL 5.36 -0.64 0 11 GLU 2.37 -0.25 1 12 LYS 2.85 -0.18 1 13 ALA 2.87 -0.31 1 14 SER 3.41 -0.36 1 15 GLU 1.37 -0.18 1 16 ALA 0.83 -0.06 1 17 LEU -0.33 0.02 1 18 LYS 0.37 -0.04 1 20 ASP 0.17 -0.04 1 21 SER 0.73 -0.09 1 22 GLN 1.25 -0.06 1 23 LYS -0.63 0.02 1 24 SER -0.16 0.02 1 25 TYR 4.03 -0.17 1 26 ALA 3.67 -0.26 1 27 GLU 2.91 -0.33 1 28 GLN 3.16 -0.15 1 30 LYS 4.87 -0.36 1 31 GLU 3.30 -0.31 1 32 TYR 3.69 -0.28 1 33 ILE 3.61 -0.38 1 34 THR 5.62 -0.42 1 35 ASP 2.13 -0.14 1 36 LYS 1.86 -0.16 1 37 ALA 3.46 -0.32 1 38 ASP 2.58 -0.23 1 39 LYS 2.47 -0.17 1 40 VAL 2.78 -0.21 1 41 ALA 2.53 -0.20 1 43 LYS 0.30 0.02 1 44 VAL 0.39 0.03 1 45 GLN -0.57 0.01 1 47 GLU 0.44 -0.14 1 48 ASP 0.35 -0.06 1 49 ASN 0.40 -0.07 1 50 LYS 0.70 -0.01 1 52 VAL 2.82 -0.26 1 53 PHE 1.95 -0.03 1 54 GLN 1.75 -0.17 1 56 VAL 2.51 -0.15 1 57 HIS 1.36 -0.19 1 58 ASP 0.68 -0.06 1 59 SER 0.93 -0.10 1 60 ALA 1.08 -0.07 1 61 GLU 0.29 -0.15 1 62 LYS 0.79 -0.02 1 64 LYS 0.51 -0.02 1 65 ASP 0.51 -0.06 1 66 ASN 0.16 -0.05 1 67 ALA 0.22 -0.02 1 68 GLU -0.06 -0.08 1 70 GLN 0.12 0.05 1 72 GLU -0.81 0.06 1 73 SER -1.20 0.12 1 74 LEU 3.27 -0.14 1 75 ALA 3.28 -0.33 1 76 ASP 3.38 -0.23 1 77 GLN 2.60 -0.18 1 78 ALA 3.07 -0.17 1 79 ARG 4.25 -0.33 1 80 ASP 3.45 -0.13 1 81 TYR 3.25 -0.12 1 82 MET 3.63 -0.24 1 84 ALA 2.71 -0.03 1 85 ALA 3.39 -0.29 1 86 LYS 4.76 -0.45 1 87 SER 4.05 -0.17 1 88 LYS 2.59 0.02 1 89 LEU 3.87 -0.23 1 90 ASN 4.02 -0.35 1 91 ASP 4.16 -0.18 1 92 ALA 3.64 -0.12 1 93 VAL 6.06 -0.53 1 94 GLU 3.40 -0.31 1 95 TYR 3.83 -0.32 1 97 SER 4.04 -0.39 1 99 ARG 1.82 -0.14 1 100 VAL 2.30 -0.18 1 101 HIS 0.34 0.05 1 103 GLU -0.98 -0.03 1 104 GLU -0.87 -0.09 1 105 ASP -1.18 -0.03 1 107 THR 1.31 -0.07 1 108 LYS 0.19 0.04 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17482_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -1.20 _LACS_plot.Line_1_terminator_val_y_1 -0.40 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.95 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.72 _LACS_plot.Line_2_terminator_val_x_2 6.05 _LACS_plot.Line_2_terminator_val_y_2 2.63 _LACS_plot.Y_axis_chem_shift_offset -0.11 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 79 ARG 4.25 -0.85 0 90 ASN 4.02 -1.04 0 11 GLU 2.37 -1.37 1 12 LYS 2.85 1.92 1 13 ALA 2.87 0.56 1 14 SER 3.41 1.55 1 15 GLU 1.37 0.89 1 16 ALA 0.83 0.13 1 17 LEU -0.33 -1.32 1 20 ASP 0.17 0.34 1 21 SER 0.73 0.29 1 22 GLN 1.25 -0.02 1 23 LYS -0.63 -0.41 1 24 SER -0.16 1.12 1 25 TYR 4.03 1.85 1 26 ALA 3.67 1.24 1 27 GLU 2.91 2.57 1 28 GLN 3.16 3.13 1 30 LYS 4.87 2.33 1 31 GLU 3.30 1.16 1 32 TYR 3.69 2.15 1 33 ILE 3.61 1.12 1 34 THR 5.62 1.88 1 35 ASP 2.13 1.63 1 36 LYS 1.86 1.37 1 37 ALA 3.46 0.99 1 38 ASP 2.58 2.05 1 39 LYS 2.47 1.99 1 40 VAL 2.78 0.38 1 41 ALA 2.53 1.31 1 43 LYS 0.30 0.03 1 44 VAL 0.39 -1.28 1 47 GLU 0.44 -0.12 1 48 ASP 0.35 -0.44 1 49 ASN 0.40 -0.23 1 50 LYS 0.70 0.35 1 52 VAL 2.82 0.07 1 53 PHE 1.95 0.64 1 54 GLN 1.75 1.17 1 56 VAL 2.51 0.23 1 58 ASP 0.68 0.80 1 59 SER 0.93 0.49 1 60 ALA 1.08 0.39 1 61 GLU 0.29 0.44 1 62 LYS 0.79 0.85 1 64 LYS 0.51 0.02 1 65 ASP 0.51 -0.07 1 66 ASN 0.16 0.02 1 67 ALA 0.22 0.09 1 68 GLU -0.06 0.64 1 70 GLN 0.12 0.50 1 72 GLU -0.81 0.04 1 73 SER -1.20 0.87 1 74 LEU 3.27 1.14 1 75 ALA 3.28 1.25 1 76 ASP 3.38 2.18 1 77 GLN 2.60 2.04 1 78 ALA 3.07 1.18 1 80 ASP 3.45 2.58 1 81 TYR 3.25 1.95 1 82 MET 3.63 1.88 1 84 ALA 2.71 2.35 1 85 ALA 3.39 1.05 1 86 LYS 4.76 1.89 1 87 SER 4.05 1.87 1 88 LYS 2.59 1.90 1 89 LEU 3.87 0.61 1 91 ASP 4.16 2.50 1 92 ALA 3.64 1.15 1 93 VAL 6.06 2.46 1 94 GLU 3.40 2.75 1 95 TYR 3.83 2.51 1 96 VAL 5.36 1.45 1 97 SER 4.04 2.20 1 99 ARG 1.82 1.53 1 100 VAL 2.30 0.08 1 101 HIS 0.34 1.38 1 103 GLU -0.98 -0.13 1 104 GLU -0.87 -0.78 1 107 THR 1.31 0.19 1 108 LYS 0.19 -1.19 1 stop_ save_