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 bmr15628_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.05 _LACS_plot.Line_1_terminator_val_y_1 -2.95 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.35 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.47 _LACS_plot.Line_2_terminator_val_x_2 8.41 _LACS_plot.Line_2_terminator_val_y_2 5.78 _LACS_plot.Y_axis_chem_shift_offset -0.61 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 12 HIS -8.05 0.02 0 10 ALA -7.47 -1.27 1 11 SER -4.03 -0.53 1 13 ILE -2.80 0.17 1 14 LEU -5.77 -2.53 1 15 ILE -0.34 -2.58 1 16 LYS -0.13 1.62 1 17 VAL -3.29 -2.11 1 18 LYS 0.70 0.82 1 19 SER 0.79 1.34 1 20 LYS -2.38 -0.95 1 21 LYS 3.60 2.89 1 22 SER 0.10 -0.33 1 23 ASP 1.04 1.04 1 24 LYS 0.85 0.95 1 25 GLU -2.89 -0.87 1 27 LEU -4.96 -1.78 1 28 ASP 0.43 1.00 1 29 ASP 3.63 5.49 1 30 LYS 4.91 3.85 1 31 GLU 2.67 2.74 1 32 ALA 1.87 2.50 1 33 LYS 4.37 3.37 1 34 GLN 4.10 3.18 1 35 LYS 3.73 2.24 1 36 ALA 3.65 2.85 1 37 GLU 3.27 2.94 1 38 GLU 3.56 3.03 1 39 ILE 4.41 3.77 1 40 GLN 8.42 5.62 1 41 LYS 4.02 3.50 1 42 GLU 2.84 2.86 1 43 VAL 2.72 1.72 1 44 SER 3.70 2.86 1 45 LYS 2.70 2.27 1 46 ASP -0.40 -0.71 1 48 SER 4.43 3.08 1 49 LYS -0.11 -0.38 1 50 PHE 4.23 5.58 1 52 GLU 2.50 2.30 1 53 ILE 5.59 3.27 1 54 ALA 4.98 3.47 1 55 LYS 3.56 3.11 1 56 LYS 0.67 2.22 1 57 GLU -3.45 -0.89 1 58 SER -0.49 0.10 1 59 MET 0.43 0.38 1 60 ASP -1.03 -1.91 1 61 THR 4.73 3.67 1 63 SER -0.45 1.25 1 64 ALA 4.44 4.29 1 65 LYS 2.68 1.53 1 66 LYS -0.15 -1.73 1 67 ASP 4.99 2.20 1 69 GLU 0.85 1.95 1 70 LEU -2.33 -1.12 1 72 TYR 2.24 1.82 1 73 VAL -0.17 0.00 1 74 LEU -2.68 -1.58 1 75 LYS 2.82 2.18 1 77 GLN -0.03 1.37 1 78 THR -3.32 -1.71 1 79 ASP -2.03 0.73 1 80 LYS 4.33 3.60 1 81 ASP 4.08 3.85 1 82 PHE 3.81 3.95 1 83 GLU 3.21 3.95 1 84 LYS 3.69 3.13 1 85 ALA 0.88 1.91 1 86 LEU 3.59 2.65 1 87 PHE 6.13 4.08 1 88 LYS -0.11 0.53 1 89 LEU -0.66 0.18 1 90 LYS -1.56 -1.43 1 91 ASP 3.27 2.44 1 93 GLU -2.24 0.05 1 94 VAL -2.84 -1.89 1 95 SER -1.37 0.91 1 96 GLU -0.78 -0.36 1 97 VAL 4.90 3.22 1 98 VAL -4.19 -1.26 1 99 LYS -2.05 -0.70 1 100 SER -4.88 -1.37 1 101 SER 3.80 2.82 1 102 PHE 0.01 0.68 1 104 TYR -3.18 -0.27 1 105 HIS -4.50 -1.05 1 106 ILE 0.36 2.35 1 107 ILE -3.39 -0.54 1 108 LYS -4.40 -1.88 1 109 ALA -2.47 -1.99 1 110 ASP -1.30 0.29 1 111 LYS 1.38 2.04 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15628_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.05 _LACS_plot.Line_1_terminator_val_y_1 5.10 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.65 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 1.53 _LACS_plot.Line_2_terminator_val_x_2 8.41 _LACS_plot.Line_2_terminator_val_y_2 -2.63 _LACS_plot.Y_axis_chem_shift_offset -0.61 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 12 HIS -8.05 8.07 0 10 ALA -7.47 6.20 1 11 SER -4.03 3.50 1 13 ILE -2.80 2.97 1 14 LEU -5.77 3.24 1 15 ILE -0.34 -2.24 1 16 LYS -0.13 1.75 1 17 VAL -3.29 1.18 1 18 LYS 0.70 0.12 1 19 SER 0.79 0.55 1 20 LYS -2.38 1.43 1 21 LYS 3.60 -0.71 1 22 SER 0.10 -0.43 1 23 ASP 1.04 0.00 1 24 LYS 0.85 0.10 1 25 GLU -2.89 2.02 1 27 LEU -4.96 3.18 1 28 ASP 0.43 0.57 1 29 ASP 3.63 1.86 1 30 LYS 4.91 -1.06 1 31 GLU 2.67 0.07 1 32 ALA 1.87 0.63 1 33 LYS 4.37 -1.00 1 34 GLN 4.10 -0.92 1 35 LYS 3.73 -1.49 1 36 ALA 3.65 -0.80 1 37 GLU 3.27 -0.33 1 38 GLU 3.56 -0.53 1 39 ILE 4.41 -0.64 1 40 GLN 8.42 -2.80 1 41 LYS 4.02 -0.52 1 42 GLU 2.84 0.02 1 43 VAL 2.72 -1.00 1 44 SER 3.70 -0.84 1 45 LYS 2.70 -0.43 1 46 ASP -0.40 -0.31 1 48 SER 4.43 -1.35 1 49 LYS -0.11 -0.27 1 50 PHE 4.23 1.35 1 52 GLU 2.50 -0.20 1 53 ILE 5.59 -2.32 1 54 ALA 4.98 -1.51 1 55 LYS 3.56 -0.45 1 56 LYS 0.67 1.55 1 57 GLU -3.45 2.56 1 58 SER -0.49 0.59 1 59 MET 0.43 -0.05 1 60 ASP -1.03 -0.88 1 61 THR 4.73 -1.06 1 63 SER -0.45 1.70 1 64 ALA 4.44 -0.15 1 65 LYS 2.68 -1.15 1 66 LYS -0.15 -1.58 1 67 ASP 4.99 -2.79 1 69 GLU 0.85 1.10 1 70 LEU -2.33 1.21 1 72 TYR 2.24 -0.42 1 73 VAL -0.17 0.17 1 74 LEU -2.68 1.10 1 75 LYS 2.82 -0.64 1 77 GLN -0.03 1.40 1 78 THR -3.32 1.61 1 79 ASP -2.03 2.76 1 80 LYS 4.33 -0.73 1 81 ASP 4.08 -0.23 1 82 PHE 3.81 0.14 1 83 GLU 3.21 0.74 1 84 LYS 3.69 -0.56 1 85 ALA 0.88 1.03 1 86 LEU 3.59 -0.94 1 87 PHE 6.13 -2.05 1 88 LYS -0.11 0.64 1 89 LEU -0.66 0.84 1 90 LYS -1.56 0.13 1 91 ASP 3.27 -0.83 1 93 GLU -2.24 2.29 1 94 VAL -2.84 0.95 1 95 SER -1.37 2.28 1 96 GLU -0.78 0.42 1 97 VAL 4.90 -1.68 1 98 VAL -4.19 2.93 1 99 LYS -2.05 1.35 1 100 SER -4.88 3.51 1 101 SER 3.80 -0.98 1 102 PHE 0.01 0.67 1 104 TYR -3.18 2.91 1 105 HIS -4.50 3.45 1 106 ILE 0.36 1.99 1 107 ILE -3.39 2.85 1 108 LYS -4.40 2.52 1 109 ALA -2.47 0.48 1 110 ASP -1.30 1.59 1 111 LYS 1.38 0.66 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15628_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.05 _LACS_plot.Line_1_terminator_val_y_1 0.93 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.22 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.22 _LACS_plot.Line_2_terminator_val_x_2 8.41 _LACS_plot.Line_2_terminator_val_y_2 -0.92 _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 33 LYS 4.37 -1.72 0 10 ALA -7.47 0.89 1 11 SER -4.03 0.96 1 12 HIS -8.05 1.60 1 13 ILE -2.80 -0.64 1 14 LEU -5.77 0.47 1 15 ILE -0.34 0.19 1 16 LYS -0.13 0.00 1 17 VAL -3.29 0.75 1 18 LYS 0.70 0.01 1 19 SER 0.79 -0.01 1 20 LYS -2.38 0.24 1 21 LYS 3.60 -0.32 1 22 SER 0.10 -0.18 1 23 ASP 1.04 -0.09 1 24 LYS 0.85 -0.07 1 25 GLU -2.89 0.17 1 27 LEU -4.96 0.44 1 28 ASP 0.43 0.00 1 29 ASP 3.63 -0.25 1 30 LYS 4.91 -0.42 1 31 GLU 2.67 -0.35 1 32 ALA 1.87 -0.45 1 34 GLN 4.10 -0.40 1 35 LYS 3.73 -0.25 1 36 ALA 3.65 -0.58 1 37 GLU 3.27 -0.48 1 38 GLU 3.56 -0.40 1 39 ILE 4.41 -0.53 1 40 GLN 8.42 -0.81 1 41 LYS 4.02 -0.54 1 42 GLU 2.84 -0.29 1 43 VAL 2.72 -0.13 1 44 SER 3.70 -0.37 1 45 LYS 2.70 -0.18 1 46 ASP -0.40 -0.01 1 48 SER 4.43 -0.09 1 49 LYS -0.11 0.16 1 50 PHE 4.23 -1.11 1 52 GLU 2.50 -0.34 1 53 ILE 5.59 -0.52 1 54 ALA 4.98 -0.69 1 55 LYS 3.56 -0.21 1 56 LYS 0.67 -0.15 1 57 GLU -3.45 0.29 1 58 SER -0.49 -0.32 1 59 MET 0.43 -0.02 1 60 ASP -1.03 0.25 1 61 THR 4.73 -0.43 1 63 SER -0.45 0.08 1 64 ALA 4.44 -0.52 1 65 LYS 2.68 -0.15 1 66 LYS -0.15 0.29 1 67 ASP 4.99 -0.33 1 69 GLU 0.85 0.13 1 70 LEU -2.33 0.10 1 72 TYR 2.24 -0.37 1 73 VAL -0.17 -0.06 1 74 LEU -2.68 0.60 1 75 LYS 2.82 -0.55 1 77 GLN -0.03 0.03 1 78 THR -3.32 0.27 1 79 ASP -2.03 -0.17 1 80 LYS 4.33 -0.29 1 81 ASP 4.08 -0.07 1 82 PHE 3.81 -0.93 1 83 GLU 3.21 -0.65 1 84 LYS 3.69 -0.37 1 85 ALA 0.88 -0.28 1 86 LEU 3.59 -0.65 1 87 PHE 6.13 -0.76 1 88 LYS -0.11 0.06 1 89 LEU -0.66 -0.17 1 90 LYS -1.56 0.04 1 91 ASP 3.27 -0.68 1 93 GLU -2.24 -0.12 1 94 VAL -2.84 0.74 1 95 SER -1.37 -0.16 1 96 GLU -0.78 0.03 1 97 VAL 4.90 0.05 1 98 VAL -4.19 0.29 1 99 LYS -2.05 0.53 1 100 SER -4.88 0.68 1 101 SER 3.80 -0.36 1 102 PHE 0.01 -0.01 1 104 TYR -3.18 0.77 1 105 HIS -4.50 1.32 1 106 ILE 0.36 -0.05 1 107 ILE -3.39 0.63 1 108 LYS -4.40 0.69 1 109 ALA -2.47 0.28 1 110 ASP -1.30 -0.22 1 111 LYS 1.38 -0.33 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15628_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.05 _LACS_plot.Line_1_terminator_val_y_1 -2.12 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.77 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.41 _LACS_plot.Line_2_terminator_val_x_2 8.41 _LACS_plot.Line_2_terminator_val_y_2 2.62 _LACS_plot.Y_axis_chem_shift_offset -0.18 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 111 LYS 1.38 4.75 0 10 ALA -7.47 -2.22 1 11 SER -4.03 -1.53 1 12 HIS -8.05 -1.09 1 13 ILE -2.80 -3.39 1 14 LEU -5.77 -3.49 1 15 ILE -0.34 -0.95 1 16 LYS -0.13 -1.56 1 17 VAL -3.29 0.35 1 18 LYS 0.70 -0.26 1 19 SER 0.79 -0.36 1 20 LYS -2.38 0.66 1 21 LYS 3.60 0.41 1 22 SER 0.10 0.24 1 23 ASP 1.04 0.24 1 24 LYS 0.85 0.21 1 25 GLU -2.89 -0.60 1 27 LEU -4.96 -0.18 1 28 ASP 0.43 0.33 1 29 ASP 3.63 0.30 1 30 LYS 4.91 2.88 1 31 GLU 2.67 2.43 1 32 ALA 1.87 0.23 1 33 LYS 4.37 1.34 1 34 GLN 4.10 2.32 1 35 LYS 3.73 1.56 1 36 ALA 3.65 1.06 1 37 GLU 3.27 2.65 1 38 GLU 3.56 3.65 1 39 ILE 4.41 1.17 1 40 GLN 8.42 3.02 1 41 LYS 4.02 2.18 1 42 GLU 2.84 3.46 1 43 VAL 2.72 0.16 1 44 SER 3.70 1.95 1 45 LYS 2.70 0.69 1 48 SER 4.43 1.47 1 49 LYS -0.11 -1.00 1 50 PHE 4.23 0.41 1 52 GLU 2.50 2.90 1 53 ILE 5.59 1.49 1 54 ALA 4.98 1.64 1 55 LYS 3.56 2.40 1 56 LYS 0.67 1.30 1 57 GLU -3.45 1.30 1 58 SER -0.49 1.56 1 59 MET 0.43 -1.10 1 60 ASP -1.03 -0.78 1 61 THR 4.73 1.57 1 63 SER -0.45 3.03 1 64 ALA 4.44 0.69 1 65 LYS 2.68 0.56 1 66 LYS -0.15 -0.99 1 67 ASP 4.99 -1.27 1 69 GLU 0.85 0.36 1 70 LEU -2.33 1.05 1 72 TYR 2.24 0.07 1 73 VAL -0.17 -1.40 1 74 LEU -2.68 0.80 1 75 LYS 2.82 0.94 1 77 GLN -0.03 0.30 1 78 THR -3.32 -0.78 1 79 ASP -2.03 0.46 1 80 LYS 4.33 1.89 1 81 ASP 4.08 2.59 1 82 PHE 3.81 0.12 1 83 GLU 3.21 1.19 1 84 LYS 3.69 2.18 1 85 ALA 0.88 1.99 1 86 LEU 3.59 0.73 1 87 PHE 6.13 0.38 1 88 LYS -0.11 0.49 1 89 LEU -0.66 -0.07 1 90 LYS -1.56 -0.76 1 91 ASP 3.27 1.15 1 93 GLU -2.24 -2.32 1 94 VAL -2.84 0.26 1 95 SER -1.37 0.04 1 96 GLU -0.78 0.04 1 97 VAL 4.90 0.38 1 98 VAL -4.19 -2.04 1 99 LYS -2.05 -1.33 1 100 SER -4.88 0.89 1 101 SER 3.80 0.78 1 102 PHE 0.01 0.65 1 104 TYR -3.18 -0.86 1 105 HIS -4.50 1.63 1 106 ILE 0.36 -1.64 1 107 ILE -3.39 -3.52 1 108 LYS -4.40 -2.12 1 109 ALA -2.47 -1.57 1 110 ASP -1.30 -1.04 1 stop_ save_