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 bmr6312_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.86 _LACS_plot.Line_1_terminator_val_y_1 -2.69 _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 -1.49 _LACS_plot.Line_2_terminator_val_x_2 9.67 _LACS_plot.Line_2_terminator_val_y_2 6.99 _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 108 LYS -6.86 -1.09 0 10 THR 6.12 3.63 1 12 ALA -5.02 -3.65 1 14 SER -0.83 -1.14 1 15 PHE -0.38 -0.60 1 16 THR 6.24 4.74 1 17 THR 6.19 5.27 1 18 LEU 4.15 3.43 1 19 LEU 4.48 3.02 1 20 THR 6.56 5.15 1 21 ALA 4.74 2.63 1 22 ALA 5.06 2.53 1 23 GLU 3.32 2.62 1 24 ALA 3.66 2.50 1 25 ALA -1.23 -0.43 1 27 LEU -3.53 -0.81 1 28 VAL 7.69 6.04 1 29 ASP 5.09 3.61 1 30 THR 5.94 4.91 1 31 LEU 1.82 1.07 1 32 LYS 1.60 0.45 1 34 ASP 2.82 2.67 1 37 PHE -4.70 -0.60 1 38 THR -0.12 0.11 1 39 VAL -2.45 -1.93 1 40 PHE 0.54 -0.71 1 41 ALA -5.96 -1.71 1 43 THR -2.59 -0.78 1 44 ASP 6.23 4.19 1 45 ALA 3.86 2.61 1 46 ALA 3.65 2.67 1 47 PHE 4.25 4.69 1 48 ALA 2.28 1.44 1 49 ALA -0.19 -0.43 1 50 LEU 2.59 0.85 1 52 GLU 2.24 1.92 1 54 THR 7.31 5.92 1 55 VAL 7.25 5.46 1 56 GLU 5.11 3.92 1 57 ASP 3.20 3.26 1 58 LEU 2.35 2.25 1 59 LEU 0.62 -0.39 1 60 LYS 2.34 1.39 1 62 GLU 3.60 1.92 1 63 ASN -0.75 -0.56 1 64 LYS 4.77 4.55 1 65 GLU 5.03 3.85 1 66 LYS 3.43 2.34 1 67 LEU 5.22 3.24 1 68 THR 9.68 6.56 1 69 GLU 3.29 3.44 1 70 ILE 4.50 4.80 1 71 LEU 3.59 3.66 1 72 THR 4.10 3.63 1 73 TYR -0.50 -0.26 1 74 HIS 3.75 2.58 1 75 VAL -1.59 -0.64 1 76 VAL -5.20 -1.51 1 79 GLU -2.77 -1.25 1 80 VAL -0.27 -0.52 1 81 MET -1.33 -2.05 1 82 SER 4.75 1.73 1 83 SER 2.92 1.67 1 84 ASP -0.52 0.85 1 85 LEU 1.39 0.08 1 86 THR -4.00 -2.24 1 87 GLU 1.41 1.56 1 89 MET -0.10 1.24 1 90 THR -4.39 -2.82 1 91 ALA -3.91 -2.07 1 92 GLU 0.16 0.86 1 93 THR -4.07 -0.41 1 94 VAL 4.44 3.81 1 95 GLU 5.06 2.73 1 98 ALA -3.40 -1.43 1 99 LEU -3.19 -1.86 1 100 THR -0.27 0.23 1 101 VAL -1.73 -1.11 1 102 THR -4.04 -2.11 1 103 LEU -2.02 -0.45 1 104 GLU 2.44 1.68 1 109 VAL -5.57 -4.28 1 110 ASN 2.97 0.29 1 112 VAL 0.76 -0.27 1 113 SER 2.75 2.60 1 114 ILE -0.13 -0.88 1 115 SER 0.47 0.10 1 116 GLN -0.52 0.25 1 118 ASP 4.06 0.80 1 119 VAL 4.61 1.47 1 120 ASP -0.08 1.68 1 121 ALA -6.17 -2.42 1 122 SER 3.97 2.56 1 123 ASN 0.73 -1.39 1 125 VAL -5.24 -2.87 1 126 ILE -4.79 -2.12 1 127 HIS -5.49 -1.64 1 128 VAL 3.02 2.17 1 129 ILE -5.25 -1.78 1 130 ASP -0.87 -0.61 1 132 VAL -0.87 -0.64 1 133 LEU 1.40 -0.34 1 134 MET -4.24 -2.40 1 137 ALA -0.28 1.10 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6312_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.86 _LACS_plot.Line_1_terminator_val_y_1 4.17 _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 0.51 _LACS_plot.Line_2_terminator_val_x_2 9.67 _LACS_plot.Line_2_terminator_val_y_2 -2.68 _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 108 LYS -6.86 5.77 0 10 THR 6.12 -2.49 1 12 ALA -5.02 1.37 1 14 SER -0.83 -0.31 1 15 PHE -0.38 -0.22 1 16 THR 6.24 -1.50 1 17 THR 6.19 -0.92 1 18 LEU 4.15 -0.72 1 19 LEU 4.48 -1.46 1 20 THR 6.56 -1.41 1 21 ALA 4.74 -2.11 1 22 ALA 5.06 -2.53 1 23 GLU 3.32 -0.70 1 24 ALA 3.66 -1.16 1 25 ALA -1.23 0.80 1 27 LEU -3.53 2.72 1 28 VAL 7.69 -1.65 1 29 ASP 5.09 -1.48 1 30 THR 5.94 -1.03 1 31 LEU 1.82 -0.75 1 32 LYS 1.60 -1.15 1 34 ASP 2.82 -0.15 1 37 PHE -4.70 4.10 1 38 THR -0.12 0.23 1 39 VAL -2.45 0.52 1 40 PHE 0.54 -1.25 1 41 ALA -5.96 4.25 1 43 THR -2.59 1.81 1 44 ASP 6.23 -2.04 1 45 ALA 3.86 -1.25 1 46 ALA 3.65 -0.98 1 47 PHE 4.25 0.44 1 48 ALA 2.28 -0.84 1 49 ALA -0.19 -0.24 1 50 LEU 2.59 -1.74 1 52 GLU 2.24 -0.32 1 54 THR 7.31 -1.39 1 55 VAL 7.25 -1.79 1 56 GLU 5.11 -1.19 1 57 ASP 3.20 0.06 1 58 LEU 2.35 -0.10 1 59 LEU 0.62 -1.01 1 60 LYS 2.34 -0.95 1 62 GLU 3.60 -1.68 1 63 ASN -0.75 0.19 1 64 LYS 4.77 -0.22 1 65 GLU 5.03 -1.18 1 66 LYS 3.43 -1.09 1 67 LEU 5.22 -1.98 1 68 THR 9.68 -3.12 1 69 GLU 3.29 0.15 1 70 ILE 4.50 0.30 1 71 LEU 3.59 0.07 1 72 THR 4.10 -0.47 1 73 TYR -0.50 0.24 1 74 HIS 3.75 -1.17 1 75 VAL -1.59 0.95 1 76 VAL -5.20 3.69 1 79 GLU -2.77 1.52 1 80 VAL -0.27 -0.25 1 81 MET -1.33 -0.72 1 82 SER 4.75 -3.02 1 83 SER 2.92 -1.25 1 84 ASP -0.52 1.37 1 85 LEU 1.39 -1.31 1 86 THR -4.00 1.76 1 87 GLU 1.41 0.15 1 89 MET -0.10 1.34 1 90 THR -4.39 1.57 1 91 ALA -3.91 1.84 1 92 GLU 0.16 0.70 1 93 THR -4.07 3.66 1 94 VAL 4.44 -0.63 1 95 GLU 5.06 -2.33 1 98 ALA -3.40 1.97 1 99 LEU -3.19 1.33 1 100 THR -0.27 0.50 1 101 VAL -1.73 0.62 1 102 THR -4.04 1.93 1 103 LEU -2.02 1.57 1 104 GLU 2.44 -0.76 1 109 VAL -5.57 1.29 1 110 ASN 2.97 -2.68 1 112 VAL 0.76 -1.03 1 113 SER 2.75 -0.15 1 114 ILE -0.13 -0.75 1 115 SER 0.47 -0.37 1 116 GLN -0.52 0.77 1 118 ASP 4.06 -3.26 1 119 VAL 4.61 -3.14 1 120 ASP -0.08 1.76 1 121 ALA -6.17 3.75 1 122 SER 3.97 -1.41 1 123 ASN 0.73 -2.12 1 125 VAL -5.24 2.37 1 126 ILE -4.79 2.67 1 127 HIS -5.49 3.85 1 128 VAL 3.02 -0.85 1 129 ILE -5.25 3.47 1 130 ASP -0.87 0.26 1 132 VAL -0.87 0.23 1 133 LEU 1.40 -1.74 1 134 MET -4.24 1.84 1 137 ALA -0.28 1.38 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6312_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.86 _LACS_plot.Line_1_terminator_val_y_1 0.64 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.17 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.19 _LACS_plot.Line_2_terminator_val_x_2 9.67 _LACS_plot.Line_2_terminator_val_y_2 -0.84 _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 82 SER 4.75 1.33 0 10 THR 6.12 -0.33 1 12 ALA -5.02 -0.42 1 14 SER -0.83 0.12 1 15 PHE -0.38 1.08 1 16 THR 6.24 -0.46 1 17 THR 6.19 -0.66 1 18 LEU 4.15 -0.75 1 19 LEU 4.48 -0.44 1 20 THR 6.56 -0.47 1 21 ALA 4.74 -0.36 1 22 ALA 5.06 -0.58 1 23 GLU 3.32 -0.27 1 24 ALA 3.66 -0.23 1 25 ALA -1.23 -0.20 1 27 LEU -3.53 0.09 1 28 VAL 7.69 -0.95 1 29 ASP 5.09 -0.45 1 30 THR 5.94 -0.51 1 31 LEU 1.82 -0.54 1 32 LYS 1.60 -0.14 1 34 ASP 2.82 -0.34 1 37 PHE -4.70 0.64 1 38 THR -0.12 0.69 1 39 VAL -2.45 0.47 1 40 PHE 0.54 0.68 1 41 ALA -5.96 0.00 1 43 THR -2.59 0.74 1 44 ASP 6.23 -0.22 1 45 ALA 3.86 -0.22 1 46 ALA 3.65 -0.20 1 47 PHE 4.25 -0.57 1 48 ALA 2.28 -0.04 1 49 ALA -0.19 0.08 1 50 LEU 2.59 -0.18 1 52 GLU 2.24 -0.24 1 54 THR 7.31 -0.44 1 55 VAL 7.25 -0.78 1 56 GLU 5.11 -0.65 1 57 ASP 3.20 -0.27 1 58 LEU 2.35 -0.34 1 59 LEU 0.62 -0.25 1 60 LYS 2.34 -0.19 1 62 GLU 3.60 -0.10 1 63 ASN -0.75 0.66 1 64 LYS 4.77 -0.11 1 65 GLU 5.03 -0.26 1 66 LYS 3.43 -0.17 1 67 LEU 5.22 -0.29 1 68 THR 9.68 0.08 1 69 GLU 3.29 -0.50 1 70 ILE 4.50 -0.51 1 71 LEU 3.59 -0.22 1 72 THR 4.10 -0.33 1 73 TYR -0.50 -0.49 1 74 HIS 3.75 -0.28 1 75 VAL -1.59 0.96 1 76 VAL -5.20 -0.40 1 79 GLU -2.77 -0.34 1 80 VAL -0.27 -0.06 1 81 MET -1.33 0.40 1 83 SER 2.92 -0.29 1 84 ASP -0.52 0.00 1 85 LEU 1.39 0.03 1 86 THR -4.00 0.12 1 87 GLU 1.41 -0.64 1 89 MET -0.10 -0.37 1 90 THR -4.39 1.22 1 91 ALA -3.91 0.40 1 92 GLU 0.16 -0.14 1 93 THR -4.07 0.77 1 94 VAL 4.44 -0.37 1 95 GLU 5.06 -0.47 1 98 ALA -3.40 1.02 1 99 LEU -3.19 0.28 1 100 THR -0.27 0.59 1 101 VAL -1.73 0.83 1 102 THR -4.04 0.07 1 103 LEU -2.02 0.12 1 104 GLU 2.44 -0.24 1 108 LYS -6.86 0.73 1 109 VAL -5.57 -0.42 1 110 ASN 2.97 -0.60 1 112 VAL 0.76 -0.17 1 113 SER 2.75 -0.27 1 114 ILE -0.13 0.47 1 115 SER 0.47 -0.09 1 116 GLN -0.52 0.16 1 118 ASP 4.06 -0.68 1 119 VAL 4.61 -0.22 1 120 ASP -0.08 -0.24 1 121 ALA -6.17 0.48 1 122 SER 3.97 -0.43 1 123 ASN 0.73 0.19 1 125 VAL -5.24 0.47 1 126 ILE -4.79 0.42 1 127 HIS -5.49 0.65 1 128 VAL 3.02 0.23 1 129 ILE -5.25 1.41 1 130 ASP -0.87 0.20 1 132 VAL -0.87 -0.02 1 133 LEU 1.40 -0.22 1 134 MET -4.24 0.39 1 137 ALA -0.28 -0.20 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6312_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.86 _LACS_plot.Line_1_terminator_val_y_1 -2.15 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.09 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.98 _LACS_plot.Line_2_terminator_val_x_2 9.67 _LACS_plot.Line_2_terminator_val_y_2 2.15 _LACS_plot.Y_axis_chem_shift_offset 0.43 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 137 ALA -0.28 -8.45 0 10 THR 6.12 1.53 1 12 ALA -5.02 -3.51 1 14 SER -0.83 -2.31 1 15 PHE -0.38 -0.11 1 16 THR 6.24 3.60 1 17 THR 6.19 0.54 1 18 LEU 4.15 0.28 1 19 LEU 4.48 2.20 1 20 THR 6.56 0.91 1 21 ALA 4.74 -1.86 1 22 ALA 5.06 1.64 1 23 GLU 3.32 3.04 1 24 ALA 3.66 1.69 1 25 ALA -1.23 -1.26 1 27 LEU -3.53 -0.62 1 28 VAL 7.69 0.24 1 29 ASP 5.09 3.58 1 30 THR 5.94 1.79 1 31 LEU 1.82 -2.22 1 32 LYS 1.60 0.67 1 34 ASP 2.82 0.92 1 37 PHE -4.70 -1.54 1 38 THR -0.12 -1.52 1 39 VAL -2.45 -2.35 1 40 PHE 0.54 -2.57 1 41 ALA -5.96 3.80 1 43 THR -2.59 1.22 1 44 ASP 6.23 3.44 1 45 ALA 3.86 0.17 1 46 ALA 3.65 -3.07 1 47 PHE 4.25 2.94 1 48 ALA 2.28 -0.74 1 49 ALA -0.19 0.89 1 50 LEU 2.59 -1.28 1 54 THR 7.31 1.52 1 55 VAL 7.25 0.22 1 56 GLU 5.11 2.99 1 57 ASP 3.20 3.40 1 58 LEU 2.35 -1.63 1 59 LEU 0.62 0.08 1 62 GLU 3.60 0.33 1 63 ASN -0.75 -0.47 1 64 LYS 4.77 2.63 1 65 GLU 5.03 2.11 1 66 LYS 3.43 -0.09 1 67 LEU 5.22 0.73 1 68 THR 9.68 2.20 1 69 GLU 3.29 -0.39 1 70 ILE 4.50 2.96 1 71 LEU 3.59 2.61 1 72 THR 4.10 1.40 1 73 TYR -0.50 -4.64 1 74 HIS 3.75 0.24 1 75 VAL -1.59 -2.42 1 79 GLU -2.77 -2.67 1 80 VAL -0.27 -1.83 1 81 MET -1.33 2.99 1 82 SER 4.75 3.23 1 83 SER 2.92 0.28 1 84 ASP -0.52 -0.49 1 85 LEU 1.39 -1.42 1 86 THR -4.00 -1.34 1 87 GLU 1.41 1.08 1 89 MET -0.10 -1.94 1 90 THR -4.39 0.73 1 91 ALA -3.91 -2.28 1 92 GLU 0.16 -1.09 1 93 THR -4.07 2.93 1 94 VAL 4.44 0.70 1 95 GLU 5.06 -0.16 1 98 ALA -3.40 0.35 1 99 LEU -3.19 -0.96 1 100 THR -0.27 -0.36 1 101 VAL -1.73 -0.85 1 102 THR -4.04 -2.17 1 103 LEU -2.02 1.11 1 104 GLU 2.44 -0.76 1 108 LYS -6.86 -2.03 1 109 VAL -5.57 -1.88 1 110 ASN 2.97 0.23 1 112 VAL 0.76 -0.82 1 113 SER 2.75 0.28 1 114 ILE -0.13 -0.90 1 115 SER 0.47 1.89 1 116 GLN -0.52 -3.24 1 118 ASP 4.06 -1.16 1 119 VAL 4.61 -1.21 1 120 ASP -0.08 -2.40 1 121 ALA -6.17 -0.61 1 122 SER 3.97 0.90 1 123 ASN 0.73 -1.53 1 125 VAL -5.24 -5.05 1 126 ILE -4.79 -3.07 1 127 HIS -5.49 0.84 1 128 VAL 3.02 -1.26 1 129 ILE -5.25 -0.52 1 130 ASP -0.87 -0.90 1 132 VAL -0.87 -0.10 1 133 LEU 1.40 -2.92 1 134 MET -4.24 -0.28 1 stop_ save_