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 bmr27725_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.43 _LACS_plot.Line_1_terminator_val_y_1 -2.76 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.75 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.33 _LACS_plot.Line_2_terminator_val_x_2 6.34 _LACS_plot.Line_2_terminator_val_y_2 5.00 _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 13 HIS -9.43 -0.53 0 10 HIS -2.57 -3.34 1 11 ALA -5.99 -2.84 1 12 ARG -6.31 -2.61 1 14 ILE -2.94 0.62 1 15 LEU -6.15 -2.41 1 16 LEU -4.14 -1.14 1 17 LYS -3.14 -0.54 1 19 SER 0.87 1.09 1 21 ILE -0.66 -0.77 1 22 MET 0.03 0.20 1 23 THR -2.24 -0.59 1 24 ASP 3.78 4.75 1 25 GLU 2.84 2.43 1 26 GLN 3.41 3.03 1 27 ALA 4.01 2.36 1 28 ARG 6.34 4.46 1 29 VAL 5.23 4.02 1 30 LYS 3.99 2.27 1 31 LEU 3.50 2.78 1 32 GLU 3.78 3.21 1 33 GLN 4.54 2.98 1 34 ILE 4.96 4.38 1 35 ALA 3.84 3.14 1 36 ALA 3.96 2.63 1 37 ASP 4.15 2.84 1 38 ILE 3.63 3.44 1 39 LYS 4.21 3.57 1 40 SER 0.62 0.60 1 42 LYS 2.22 2.30 1 43 THR -2.79 -2.99 1 44 THR -0.87 -2.62 1 45 PHE 4.23 4.11 1 46 ALA 3.22 2.75 1 47 ALA 3.11 2.49 1 48 ALA 2.90 2.04 1 49 ALA 4.88 3.00 1 50 LYS 3.71 3.24 1 51 GLU 1.47 2.08 1 52 PHE -1.67 0.86 1 53 SER -0.08 0.46 1 54 GLN 0.24 -0.62 1 55 ASP -2.86 -1.98 1 58 SER -0.82 0.95 1 59 ALA 4.68 4.76 1 60 ASN 2.58 1.66 1 61 GLN 0.04 -1.13 1 64 ASP 0.98 2.41 1 65 LEU -0.56 -0.20 1 67 TRP -0.87 -0.12 1 68 ALA -5.31 -0.98 1 69 THR 1.34 -0.55 1 71 ASP 2.26 1.19 1 72 ILE 1.84 1.10 1 73 PHE -2.58 -1.14 1 74 ASP 1.85 0.76 1 76 ALA 2.54 2.70 1 77 PHE 1.55 2.68 1 78 ARG 4.57 4.18 1 79 ASP 3.49 3.20 1 80 ALA 2.33 2.41 1 81 LEU 2.58 2.80 1 82 THR 3.06 2.70 1 83 ARG -0.13 -0.05 1 84 LEU -1.95 -0.78 1 85 ASN -3.51 -1.83 1 86 LYS 4.08 3.14 1 88 GLN -2.64 -0.62 1 89 MET -5.06 -1.71 1 90 SER -1.20 0.67 1 91 ALA 0.25 1.16 1 93 VAL -3.96 -1.00 1 94 HIS -6.42 -1.65 1 95 SER -3.93 -1.35 1 96 SER 3.73 2.85 1 97 PHE -0.18 0.72 1 99 TRP -3.73 -1.56 1 100 HIS -8.13 -0.98 1 101 LEU -4.06 -0.30 1 102 ILE -4.03 -0.70 1 103 GLU -6.01 -1.91 1 104 LEU -0.67 -0.60 1 105 LEU -3.21 0.99 1 106 ASP -3.77 -0.76 1 107 THR -2.98 -0.76 1 108 ARG 0.46 -0.76 1 109 ASN -1.65 -0.60 1 110 VAL -2.05 -0.90 1 111 ASP -0.36 -0.09 1 112 LYS 0.00 -0.07 1 113 THR 0.79 0.83 1 114 ASP 0.23 0.34 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27725_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.43 _LACS_plot.Line_1_terminator_val_y_1 6.67 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.25 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.67 _LACS_plot.Line_2_terminator_val_x_2 6.34 _LACS_plot.Line_2_terminator_val_y_2 -1.34 _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 13 HIS -9.43 8.90 0 10 HIS -2.57 -0.77 1 11 ALA -5.99 3.15 1 12 ARG -6.31 3.70 1 14 ILE -2.94 3.56 1 15 LEU -6.15 3.74 1 16 LEU -4.14 3.00 1 17 LYS -3.14 2.60 1 19 SER 0.87 0.22 1 21 ILE -0.66 -0.11 1 22 MET 0.03 0.17 1 23 THR -2.24 1.65 1 24 ASP 3.78 0.97 1 25 GLU 2.84 -0.41 1 26 GLN 3.41 -0.38 1 27 ALA 4.01 -1.65 1 28 ARG 6.34 -1.88 1 29 VAL 5.23 -1.21 1 30 LYS 3.99 -1.72 1 31 LEU 3.50 -0.72 1 32 GLU 3.78 -0.57 1 33 GLN 4.54 -1.56 1 34 ILE 4.96 -0.58 1 35 ALA 3.84 -0.70 1 36 ALA 3.96 -1.33 1 37 ASP 4.15 -1.31 1 38 ILE 3.63 -0.19 1 39 LYS 4.21 -0.64 1 40 SER 0.62 -0.02 1 42 LYS 2.22 0.08 1 43 THR -2.79 -0.20 1 44 THR -0.87 -1.75 1 45 PHE 4.23 -0.12 1 46 ALA 3.22 -0.47 1 47 ALA 3.11 -0.62 1 48 ALA 2.90 -0.86 1 49 ALA 4.88 -1.88 1 50 LYS 3.71 -0.47 1 51 GLU 1.47 0.61 1 52 PHE -1.67 2.53 1 53 SER -0.08 0.54 1 54 GLN 0.24 -0.86 1 55 ASP -2.86 0.88 1 58 SER -0.82 1.77 1 59 ALA 4.68 0.08 1 60 ASN 2.58 -0.92 1 61 GLN 0.04 -1.17 1 64 ASP 0.98 1.43 1 65 LEU -0.56 0.36 1 67 TRP -0.87 0.75 1 68 ALA -5.31 4.33 1 69 THR 1.34 -1.89 1 71 ASP 2.26 -1.07 1 72 ILE 1.84 -0.74 1 73 PHE -2.58 1.44 1 74 ASP 1.85 -1.09 1 76 ALA 2.54 0.16 1 77 PHE 1.55 1.13 1 78 ARG 4.57 -0.39 1 79 ASP 3.49 -0.29 1 80 ALA 2.33 0.08 1 81 LEU 2.58 0.22 1 82 THR 3.06 -0.36 1 83 ARG -0.13 0.08 1 84 LEU -1.95 1.17 1 85 ASN -3.51 1.68 1 86 LYS 4.08 -0.94 1 88 GLN -2.64 2.02 1 89 MET -5.06 3.35 1 90 SER -1.20 1.87 1 91 ALA 0.25 0.91 1 93 VAL -3.96 2.96 1 94 HIS -6.42 4.77 1 95 SER -3.93 2.58 1 96 SER 3.73 -0.88 1 97 PHE -0.18 0.90 1 99 TRP -3.73 2.17 1 100 HIS -8.13 7.15 1 101 LEU -4.06 3.76 1 102 ILE -4.03 3.33 1 103 GLU -6.01 4.10 1 104 LEU -0.67 0.07 1 105 LEU -3.21 4.20 1 106 ASP -3.77 3.01 1 107 THR -2.98 2.22 1 108 ARG 0.46 -1.22 1 109 ASN -1.65 1.05 1 110 VAL -2.05 1.15 1 111 ASP -0.36 0.27 1 112 LYS 0.00 -0.07 1 113 THR 0.79 0.04 1 114 ASP 0.23 0.11 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27725_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -9.43 _LACS_plot.Line_1_terminator_val_y_1 0.85 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.24 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.15 _LACS_plot.Line_2_terminator_val_x_2 6.34 _LACS_plot.Line_2_terminator_val_y_2 -0.67 _LACS_plot.Y_axis_chem_shift_offset 0.05 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 13 HIS -9.43 -0.10 0 10 HIS -2.57 0.30 1 11 ALA -5.99 0.78 1 12 ARG -6.31 1.05 1 14 ILE -2.94 -0.63 1 15 LEU -6.15 0.27 1 16 LEU -4.14 0.83 1 17 LYS -3.14 -0.09 1 19 SER 0.87 -0.54 1 21 ILE -0.66 0.41 1 22 MET 0.03 -0.12 1 23 THR -2.24 1.19 1 24 ASP 3.78 -0.44 1 25 GLU 2.84 -0.55 1 26 GLN 3.41 -0.53 1 27 ALA 4.01 -0.43 1 28 ARG 6.34 -1.37 1 29 VAL 5.23 -0.66 1 30 LYS 3.99 -0.35 1 31 LEU 3.50 -0.46 1 32 GLU 3.78 -0.39 1 33 GLN 4.54 -0.39 1 34 ILE 4.96 -0.63 1 35 ALA 3.84 -0.54 1 36 ALA 3.96 -0.26 1 37 ASP 4.15 -0.25 1 38 ILE 3.63 -0.17 1 39 LYS 4.21 -0.25 1 40 SER 0.62 -0.05 1 42 LYS 2.22 -0.25 1 43 THR -2.79 0.23 1 44 THR -0.87 0.76 1 45 PHE 4.23 -0.92 1 46 ALA 3.22 -0.32 1 47 ALA 3.11 -0.27 1 48 ALA 2.90 0.00 1 49 ALA 4.88 -0.43 1 50 LYS 3.71 -0.40 1 51 GLU 1.47 -0.54 1 52 PHE -1.67 -0.41 1 53 SER -0.08 -0.05 1 54 GLN 0.24 -0.07 1 55 ASP -2.86 0.28 1 58 SER -0.82 -0.20 1 59 ALA 4.68 -0.44 1 60 ASN 2.58 -0.11 1 61 GLN 0.04 0.45 1 64 ASP 0.98 -0.44 1 65 LEU -0.56 -0.04 1 67 TRP -0.87 -0.36 1 68 ALA -5.31 0.53 1 69 THR 1.34 0.49 1 71 ASP 2.26 -0.35 1 72 ILE 1.84 -0.10 1 73 PHE -2.58 -0.29 1 74 ASP 1.85 -0.24 1 76 ALA 2.54 -0.11 1 77 PHE 1.55 -0.82 1 78 ARG 4.57 -0.44 1 79 ASP 3.49 -0.30 1 80 ALA 2.33 -0.32 1 81 LEU 2.58 -0.59 1 82 THR 3.06 -0.22 1 83 ARG -0.13 0.06 1 84 LEU -1.95 0.04 1 85 ASN -3.51 0.10 1 86 LYS 4.08 -0.72 1 88 GLN -2.64 0.23 1 89 MET -5.06 0.94 1 90 SER -1.20 -0.21 1 91 ALA 0.25 0.00 1 93 VAL -3.96 0.27 1 94 HIS -6.42 0.30 1 95 SER -3.93 0.92 1 96 SER 3.73 -0.40 1 97 PHE -0.18 -0.04 1 99 TRP -3.73 0.87 1 100 HIS -8.13 0.71 1 101 LEU -4.06 0.19 1 102 ILE -4.03 0.38 1 103 GLU -6.01 0.64 1 104 LEU -0.67 0.83 1 105 LEU -3.21 1.10 1 106 ASP -3.77 0.23 1 107 THR -2.98 1.18 1 108 ARG 0.46 -0.06 1 109 ASN -1.65 0.64 1 110 VAL -2.05 0.06 1 111 ASP -0.36 -0.06 1 112 LYS 0.00 0.04 1 113 THR 0.79 -0.08 1 114 ASP 0.23 -0.08 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27725_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -9.43 _LACS_plot.Line_1_terminator_val_y_1 -3.44 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.09 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.67 _LACS_plot.Line_2_terminator_val_x_2 6.34 _LACS_plot.Line_2_terminator_val_y_2 2.96 _LACS_plot.Y_axis_chem_shift_offset -0.25 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 100 HIS -8.13 3.49 0 10 HIS -2.57 0.15 1 11 ALA -5.99 -3.87 1 12 ARG -6.31 -1.94 1 13 HIS -9.43 -0.44 1 14 ILE -2.94 -3.40 1 15 LEU -6.15 -2.44 1 16 LEU -4.14 -2.16 1 17 LYS -3.14 -1.07 1 19 SER 0.87 0.84 1 21 ILE -0.66 -1.50 1 22 MET 0.03 -2.25 1 23 THR -2.24 0.40 1 24 ASP 3.78 0.77 1 25 GLU 2.84 1.65 1 26 GLN 3.41 3.20 1 27 ALA 4.01 0.16 1 28 ARG 6.34 1.92 1 29 VAL 5.23 2.43 1 30 LYS 3.99 2.50 1 31 LEU 3.50 1.47 1 32 GLU 3.78 3.79 1 33 GLN 4.54 2.32 1 34 ILE 4.96 1.58 1 35 ALA 3.84 2.01 1 36 ALA 3.96 3.23 1 37 ASP 4.15 2.18 1 38 ILE 3.63 4.40 1 39 LYS 4.21 2.38 1 40 SER 0.62 1.01 1 42 LYS 2.22 -0.04 1 43 THR -2.79 -2.00 1 44 THR -0.87 -0.07 1 45 PHE 4.23 1.85 1 46 ALA 3.22 2.67 1 47 ALA 3.11 3.10 1 48 ALA 2.90 2.05 1 49 ALA 4.88 1.67 1 50 LYS 3.71 2.78 1 51 GLU 1.47 1.31 1 52 PHE -1.67 1.27 1 53 SER -0.08 2.40 1 54 GLN 0.24 -1.44 1 55 ASP -2.86 -0.41 1 58 SER -0.82 2.71 1 59 ALA 4.68 0.91 1 60 ASN 2.58 0.83 1 61 GLN 0.04 1.47 1 64 ASP 0.98 -0.65 1 65 LEU -0.56 0.48 1 67 TRP -0.87 1.41 1 68 ALA -5.31 -0.43 1 69 THR 1.34 0.99 1 71 ASP 2.26 0.53 1 72 ILE 1.84 0.43 1 73 PHE -2.58 -0.83 1 74 ASP 1.85 0.24 1 76 ALA 2.54 3.15 1 77 PHE 1.55 0.90 1 78 ARG 4.57 2.32 1 79 ASP 3.49 2.20 1 80 ALA 2.33 2.69 1 81 LEU 2.58 1.40 1 82 THR 3.06 0.74 1 83 ARG -0.13 -0.11 1 84 LEU -1.95 -1.72 1 85 ASN -3.51 -0.06 1 86 LYS 4.08 1.28 1 88 GLN -2.64 -2.36 1 89 MET -5.06 0.09 1 90 SER -1.20 -0.16 1 91 ALA 0.25 0.16 1 93 VAL -3.96 -1.87 1 94 HIS -6.42 -0.42 1 95 SER -3.93 0.20 1 96 SER 3.73 0.43 1 97 PHE -0.18 -0.29 1 99 TRP -3.73 -0.77 1 101 LEU -4.06 -1.65 1 102 ILE -4.03 -2.41 1 103 GLU -6.01 -1.50 1 104 LEU -0.67 -2.55 1 105 LEU -3.21 -2.70 1 106 ASP -3.77 -2.27 1 107 THR -2.98 -2.10 1 108 ARG 0.46 -3.33 1 109 ASN -1.65 -0.10 1 110 VAL -2.05 -1.23 1 111 ASP -0.36 0.53 1 112 LYS 0.00 0.20 1 113 THR 0.79 0.00 1 114 ASP 0.23 0.13 1 stop_ save_