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 bmr6012_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.27 _LACS_plot.Line_1_terminator_val_y_1 -2.40 _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 -1.42 _LACS_plot.Line_2_terminator_val_x_2 5.29 _LACS_plot.Line_2_terminator_val_y_2 3.87 _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 26 MET 3.22 -0.43 0 61 GLU -0.00 -2.24 0 32 LYS 5.29 4.47 0 41 GLU 4.39 4.36 0 10 ILE -1.22 -0.68 1 11 LYS -1.41 -0.45 1 12 TYR -6.08 -2.46 1 13 ASP -5.62 -1.73 1 14 TRP -4.58 -1.55 1 15 TYR -2.11 -1.42 1 16 GLN -7.27 -2.31 1 17 THR -3.83 -2.46 1 18 GLU 3.96 3.13 1 19 SER -2.43 -0.19 1 20 GLN -5.91 -1.23 1 21 VAL -0.28 0.59 1 22 VAL -0.37 -0.87 1 23 ILE -4.09 -0.98 1 24 THR -1.08 -0.72 1 25 LEU -1.77 -1.33 1 27 ILE -3.15 -1.00 1 28 LYS -2.34 -0.51 1 29 ASN 3.04 1.45 1 30 VAL 0.82 0.19 1 31 GLN -1.26 -1.07 1 33 ASN 2.68 1.30 1 34 ASP -0.00 0.46 1 35 VAL -2.55 -1.17 1 36 ASN -3.73 -0.64 1 37 VAL -2.21 -1.23 1 38 GLU -3.70 -2.30 1 39 PHE -3.47 -1.04 1 40 SER -2.36 -1.05 1 42 LYS -2.60 -1.43 1 43 GLU -5.73 -1.38 1 44 LEU -5.96 -1.68 1 45 SER -3.27 -1.91 1 46 ALA -4.49 -2.21 1 47 LEU -3.11 -0.91 1 48 VAL -3.93 -1.50 1 49 LYS -0.28 -0.52 1 50 LEU 0.65 0.22 1 52 SER 0.40 0.01 1 54 GLU -1.86 -0.47 1 55 ASP -2.42 -1.09 1 56 TYR -3.03 -0.75 1 57 ASN -4.70 -1.44 1 58 LEU -4.00 -1.10 1 59 LYS -2.03 -0.87 1 60 LEU -5.66 -1.94 1 62 LEU -0.92 -0.27 1 63 LEU 2.40 2.24 1 64 HIS -3.99 -2.93 1 66 ILE -6.31 -2.14 1 67 ILE 0.80 -0.07 1 69 GLU 4.17 2.61 1 70 GLN -1.83 -0.80 1 71 SER 2.39 1.31 1 72 THR -4.18 -1.40 1 73 PHE -5.81 -1.57 1 74 LYS -4.88 -1.05 1 75 VAL 2.20 1.21 1 76 LEU -2.40 -1.30 1 77 SER 4.39 3.58 1 78 THR -1.25 -0.71 1 79 LYS -1.32 -0.58 1 80 ILE -2.81 -0.37 1 81 GLU -5.46 -1.37 1 82 ILE -1.64 0.06 1 83 LYS -1.17 -0.47 1 84 LEU -2.38 -2.86 1 85 LYS -1.59 -1.55 1 86 LYS -0.67 1.19 1 88 GLU -5.59 -2.57 1 89 ALA 1.95 -0.17 1 90 VAL -4.25 -2.25 1 91 ARG 1.09 0.26 1 92 TRP 1.16 0.09 1 93 GLU 2.41 2.42 1 94 LYS -3.48 -1.59 1 95 LEU 1.86 1.96 1 96 GLU -4.69 -1.36 1 98 GLN -0.72 -0.05 1 100 ASP -0.10 -0.10 1 101 VAL 0.21 0.19 1 103 THR 0.27 0.22 1 105 LYS 0.35 0.28 1 106 GLN -0.20 0.15 1 107 PHE -0.09 0.08 1 108 VAL -0.54 -0.26 1 109 ALA -0.47 -0.12 1 110 ASP -0.16 -0.09 1 111 VAL 0.33 0.24 1 112 LYS 0.09 0.07 1 113 ASN 0.08 0.20 1 114 LEU 0.67 1.73 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6012_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.27 _LACS_plot.Line_1_terminator_val_y_1 4.87 _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 0.58 _LACS_plot.Line_2_terminator_val_x_2 5.29 _LACS_plot.Line_2_terminator_val_y_2 -1.42 _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 26 MET 3.22 -3.65 0 61 GLU -0.00 -2.24 0 32 LYS 5.29 -0.82 0 41 GLU 4.39 -0.03 0 10 ILE -1.22 0.54 1 11 LYS -1.41 0.96 1 12 TYR -6.08 3.62 1 13 ASP -5.62 3.89 1 14 TRP -4.58 3.03 1 15 TYR -2.11 0.69 1 16 GLN -7.27 4.96 1 17 THR -3.83 1.37 1 18 GLU 3.96 -0.83 1 19 SER -2.43 2.24 1 20 GLN -5.91 4.68 1 21 VAL -0.28 0.87 1 22 VAL -0.37 -0.50 1 23 ILE -4.09 3.11 1 24 THR -1.08 0.36 1 25 LEU -1.77 0.44 1 27 ILE -3.15 2.15 1 28 LYS -2.34 1.83 1 29 ASN 3.04 -1.59 1 30 VAL 0.82 -0.63 1 31 GLN -1.26 0.19 1 33 ASN 2.68 -1.38 1 34 ASP -0.00 0.46 1 35 VAL -2.55 1.38 1 36 ASN -3.73 3.09 1 37 VAL -2.21 0.98 1 38 GLU -3.70 1.40 1 39 PHE -3.47 2.43 1 40 SER -2.36 1.31 1 42 LYS -2.60 1.17 1 43 GLU -5.73 4.35 1 44 LEU -5.96 4.28 1 45 SER -3.27 1.36 1 46 ALA -4.49 2.28 1 47 LEU -3.11 2.20 1 48 VAL -3.93 2.43 1 49 LYS -0.28 -0.24 1 50 LEU 0.65 -0.43 1 52 SER 0.40 -0.39 1 54 GLU -1.86 1.39 1 55 ASP -2.42 1.33 1 56 TYR -3.03 2.28 1 57 ASN -4.70 3.26 1 58 LEU -4.00 2.90 1 59 LYS -2.03 1.16 1 60 LEU -5.66 3.72 1 62 LEU -0.92 0.65 1 63 LEU 2.40 -0.16 1 64 HIS -3.99 1.06 1 66 ILE -6.31 4.17 1 67 ILE 0.80 -0.87 1 69 GLU 4.17 -1.56 1 70 GLN -1.83 1.03 1 71 SER 2.39 -1.08 1 72 THR -4.18 2.78 1 73 PHE -5.81 4.24 1 74 LYS -4.88 3.83 1 75 VAL 2.20 -0.99 1 76 LEU -2.40 1.10 1 77 SER 4.39 -0.81 1 78 THR -1.25 0.54 1 79 LYS -1.32 0.74 1 80 ILE -2.81 2.44 1 81 GLU -5.46 4.09 1 82 ILE -1.64 1.70 1 83 LYS -1.17 0.70 1 84 LEU -2.38 -0.48 1 85 LYS -1.59 0.04 1 86 LYS -0.67 1.86 1 88 GLU -5.59 3.02 1 89 ALA 1.95 -2.12 1 90 VAL -4.25 2.00 1 91 ARG 1.09 -0.83 1 92 TRP 1.16 -1.07 1 93 GLU 2.41 0.01 1 94 LYS -3.48 1.89 1 95 LEU 1.86 0.10 1 96 GLU -4.69 3.33 1 98 GLN -0.72 0.67 1 100 ASP -0.10 0.00 1 101 VAL 0.21 -0.02 1 103 THR 0.27 -0.05 1 105 LYS 0.35 -0.07 1 106 GLN -0.20 0.35 1 107 PHE -0.09 0.17 1 108 VAL -0.54 0.28 1 109 ALA -0.47 0.35 1 110 ASP -0.16 0.07 1 111 VAL 0.33 -0.09 1 112 LYS 0.09 -0.02 1 113 ASN 0.08 0.12 1 114 LEU 0.67 1.06 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6012_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.27 _LACS_plot.Line_1_terminator_val_y_1 0.88 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.06 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.33 _LACS_plot.Line_2_terminator_val_x_2 5.29 _LACS_plot.Line_2_terminator_val_y_2 -0.35 _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 64 HIS -3.99 -0.25 0 14 TRP -4.58 1.48 0 63 LEU 2.40 -0.96 0 10 ILE -1.22 0.01 1 11 LYS -1.41 0.24 1 12 TYR -6.08 1.20 1 13 ASP -5.62 0.57 1 15 TYR -2.11 -0.26 1 16 GLN -7.27 1.19 1 17 THR -3.83 0.54 1 18 GLU 3.96 -0.17 1 19 SER -2.43 0.27 1 20 GLN -5.91 1.23 1 21 VAL -0.28 0.01 1 22 VAL -0.37 0.80 1 23 ILE -4.09 0.82 1 24 THR -1.08 0.93 1 25 LEU -1.77 0.48 1 26 MET 3.22 0.23 1 27 ILE -3.15 0.06 1 28 LYS -2.34 0.12 1 29 ASN 3.04 -0.35 1 30 VAL 0.82 -0.06 1 31 GLN -1.26 0.15 1 32 LYS 5.29 -0.40 1 33 ASN 2.68 0.02 1 34 ASP -0.00 0.21 1 35 VAL -2.55 0.70 1 36 ASN -3.73 0.20 1 37 VAL -2.21 0.24 1 38 GLU -3.70 0.13 1 39 PHE -3.47 0.45 1 40 SER -2.36 0.29 1 41 GLU 4.39 -0.28 1 42 LYS -2.60 0.39 1 43 GLU -5.73 0.90 1 44 LEU -5.96 0.70 1 45 SER -3.27 0.88 1 46 ALA -4.49 0.76 1 47 LEU -3.11 0.82 1 48 VAL -3.93 0.67 1 49 LYS -0.28 0.49 1 50 LEU 0.65 -0.02 1 52 SER 0.40 -0.15 1 54 GLU -1.86 0.02 1 55 ASP -2.42 0.67 1 56 TYR -3.03 0.28 1 57 ASN -4.70 0.65 1 58 LEU -4.00 0.11 1 59 LYS -2.03 0.82 1 60 LEU -5.66 0.43 1 61 GLU -0.00 0.34 1 62 LEU -0.92 0.12 1 66 ILE -6.31 0.91 1 67 ILE 0.80 0.32 1 69 GLU 4.17 -0.06 1 70 GLN -1.83 0.25 1 71 SER 2.39 0.22 1 72 THR -4.18 0.67 1 73 PHE -5.81 1.21 1 74 LYS -4.88 0.27 1 75 VAL 2.20 0.11 1 76 LEU -2.40 0.65 1 77 SER 4.39 -0.07 1 78 THR -1.25 0.13 1 79 LYS -1.32 0.81 1 80 ILE -2.81 0.74 1 81 GLU -5.46 0.88 1 82 ILE -1.64 0.60 1 83 LYS -1.17 0.74 1 84 LEU -2.38 0.20 1 85 LYS -1.59 0.18 1 86 LYS -0.67 0.10 1 88 GLU -5.59 0.22 1 89 ALA 1.95 0.39 1 90 VAL -4.25 0.22 1 91 ARG 1.09 -0.02 1 92 TRP 1.16 0.14 1 93 GLU 2.41 -0.03 1 94 LYS -3.48 0.46 1 95 LEU 1.86 -0.41 1 96 GLU -4.69 0.53 1 98 GLN -0.72 0.05 1 100 ASP -0.10 -0.01 1 101 VAL 0.21 -0.03 1 103 THR 0.27 -0.05 1 105 LYS 0.35 -0.08 1 106 GLN -0.20 -0.03 1 107 PHE -0.09 0.05 1 108 VAL -0.54 -0.06 1 109 ALA -0.47 -0.06 1 110 ASP -0.16 0.01 1 111 VAL 0.33 0.00 1 112 LYS 0.09 0.03 1 113 ASN 0.08 0.02 1 114 LEU 0.67 -0.14 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6012_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.27 _LACS_plot.Line_1_terminator_val_y_1 -2.66 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.60 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.52 _LACS_plot.Line_2_terminator_val_x_2 5.29 _LACS_plot.Line_2_terminator_val_y_2 0.20 _LACS_plot.Y_axis_chem_shift_offset 1.04 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 31 GLN -1.26 1.83 0 66 ILE -6.31 0.14 0 77 SER 4.39 2.14 0 10 ILE -1.22 -1.36 1 11 LYS -1.41 -1.93 1 12 TYR -6.08 -2.50 1 13 ASP -5.62 -2.06 1 14 TRP -4.58 -2.37 1 15 TYR -2.11 -3.76 1 16 GLN -7.27 -2.66 1 17 THR -3.83 0.27 1 18 GLU 3.96 -0.21 1 19 SER -2.43 0.04 1 20 GLN -5.91 -1.59 1 21 VAL -0.28 -2.51 1 22 VAL -0.37 -1.18 1 23 ILE -4.09 -1.49 1 24 THR -1.08 -0.58 1 25 LEU -1.77 -0.64 1 26 MET 3.22 -2.00 1 27 ILE -3.15 -3.24 1 28 LYS -2.34 -0.90 1 29 ASN 3.04 -0.87 1 30 VAL 0.82 -0.50 1 32 LYS 5.29 1.03 1 33 ASN 2.68 0.07 1 34 ASP -0.00 -2.02 1 35 VAL -2.55 -2.58 1 36 ASN -3.73 -1.66 1 37 VAL -2.21 -3.04 1 38 GLU -3.70 -1.90 1 39 PHE -3.47 -0.80 1 40 SER -2.36 -2.22 1 41 GLU 4.39 -0.70 1 42 LYS -2.60 -0.72 1 43 GLU -5.73 -3.87 1 44 LEU -5.96 -3.16 1 45 SER -3.27 -2.23 1 46 ALA -4.49 -3.49 1 47 LEU -3.11 -2.26 1 48 VAL -3.93 -2.01 1 49 LYS -0.28 -1.31 1 52 SER 0.40 1.13 1 54 GLU -1.86 -2.44 1 55 ASP -2.42 -1.34 1 56 TYR -3.03 -2.18 1 57 ASN -4.70 -2.56 1 58 LEU -4.00 -3.88 1 59 LYS -2.03 -1.73 1 60 LEU -5.66 -2.55 1 61 GLU -0.00 -0.87 1 62 LEU -0.92 0.26 1 63 LEU 2.40 -2.28 1 69 GLU 4.17 0.17 1 70 GLN -1.83 -1.23 1 71 SER 2.39 -2.63 1 72 THR -4.18 -1.88 1 73 PHE -5.81 -3.05 1 74 LYS -4.88 -2.29 1 75 VAL 2.20 -1.40 1 76 LEU -2.40 -0.60 1 78 THR -1.25 -1.83 1 79 LYS -1.32 -3.27 1 80 ILE -2.81 -1.77 1 81 GLU -5.46 -1.55 1 82 ILE -1.64 -2.64 1 83 LYS -1.17 -1.72 1 84 LEU -2.38 -1.18 1 85 LYS -1.59 -1.00 1 88 GLU -5.59 -1.55 1 89 ALA 1.95 -1.83 1 90 VAL -4.25 -1.19 1 91 ARG 1.09 0.45 1 92 TRP 1.16 1.44 1 93 GLU 2.41 -1.17 1 94 LYS -3.48 -4.03 1 95 LEU 1.86 -0.98 1 96 GLU -4.69 0.37 1 98 GLN -0.72 0.20 1 100 ASP -0.10 -0.32 1 105 LYS 0.35 -0.19 1 106 GLN -0.20 -0.67 1 107 PHE -0.09 -0.60 1 108 VAL -0.54 -1.25 1 109 ALA -0.47 -0.72 1 110 ASP -0.16 -0.24 1 111 VAL 0.33 -0.27 1 112 LYS 0.09 -0.59 1 113 ASN 0.08 -1.32 1 stop_ save_