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 bmr6333_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.11 _LACS_plot.Line_1_terminator_val_y_1 -3.05 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.47 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.23 _LACS_plot.Line_2_terminator_val_x_2 6.51 _LACS_plot.Line_2_terminator_val_y_2 5.19 _LACS_plot.Y_axis_chem_shift_offset -0.32 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 54 GLU -6.11 -2.08 0 10 LEU 3.57 3.91 1 11 GLU 6.33 4.89 1 12 SER 1.60 1.60 1 13 SER 0.81 1.43 1 14 LEU 3.71 3.07 1 15 ASP -1.30 -0.52 1 16 THR -1.74 -2.11 1 17 HIS 0.05 3.15 1 18 LEU -0.74 -2.54 1 19 LYS 3.89 2.51 1 20 TRP -2.88 -3.80 1 21 LEU -0.78 -0.19 1 22 SER -2.68 -1.36 1 23 GLN 4.89 3.62 1 24 GLU 4.27 3.41 1 25 GLN 3.23 2.58 1 26 LYS 5.48 4.97 1 27 ASP 4.21 3.32 1 28 GLU 3.66 3.04 1 29 LEU 2.93 2.82 1 30 LEU 3.75 3.11 1 31 LYS 4.52 3.43 1 32 MET 2.90 4.06 1 33 LYS 4.58 3.72 1 34 LYS 4.42 3.26 1 35 ASP 0.95 0.71 1 37 LYS 1.12 -0.33 1 38 ALA -1.68 -0.92 1 39 LYS 5.94 5.06 1 40 LYS 3.53 2.27 1 41 GLU 3.01 2.49 1 42 LEU 4.53 3.84 1 43 GLU 3.30 3.38 1 44 ALA 3.48 2.37 1 45 LYS 3.35 1.65 1 46 ILE 6.37 5.84 1 47 LEU 4.49 2.51 1 48 HIS 4.55 4.86 1 49 TYR 2.22 0.28 1 50 TYR 2.43 2.36 1 51 ASP 2.74 2.38 1 52 GLU -0.31 0.57 1 53 LEU -1.59 -0.10 1 56 ASP 4.41 3.33 1 57 ALA 3.14 2.53 1 58 LYS 3.70 2.27 1 59 LYS 4.99 4.03 1 60 GLU 2.84 2.68 1 61 ALA 4.10 3.41 1 62 THR 6.52 5.56 1 63 GLU 3.80 2.67 1 64 HIS 3.45 4.96 1 65 LEU 3.55 3.24 1 66 LYS 5.61 5.08 1 70 ARG 5.00 4.63 1 71 GLU 3.57 3.11 1 72 ILE 5.25 3.87 1 73 LEU 4.56 3.49 1 74 LYS 4.84 4.01 1 75 HIS 2.81 4.71 1 76 VAL 4.67 4.08 1 77 VAL -0.24 -0.88 1 79 GLU 3.64 3.78 1 80 GLU 4.61 3.69 1 81 LYS 3.90 0.65 1 82 ALA 4.63 3.33 1 83 ALA 3.87 2.47 1 84 GLU 2.90 2.94 1 85 LEU 3.43 2.75 1 86 LYS 4.57 3.70 1 87 ASN 4.14 3.25 1 88 LEU 3.43 2.85 1 89 LYS 5.01 3.90 1 90 ASP 3.87 2.75 1 91 SER 0.99 1.11 1 93 ALA -0.39 0.28 1 94 SER -2.22 -0.72 1 95 LYS 5.01 4.07 1 96 GLU 4.74 3.84 1 97 GLU 2.56 2.52 1 98 LEU 3.36 3.05 1 99 LYS 4.70 4.24 1 100 ALA 3.74 2.60 1 101 LYS 3.24 1.55 1 102 VAL 6.42 4.91 1 103 GLU 4.76 3.90 1 104 GLU 2.53 2.90 1 105 ALA 3.46 2.18 1 106 LEU 3.64 2.20 1 107 HIS 2.34 3.19 1 108 ALA -0.38 -0.32 1 109 VAL 2.95 1.97 1 110 THR -0.62 -0.29 1 111 ASP -1.25 0.64 1 112 GLU 4.05 3.81 1 113 GLU 3.48 2.87 1 114 LYS 3.41 3.76 1 115 LYS 5.21 4.10 1 116 GLN 4.31 2.76 1 117 TYR 4.19 3.31 1 118 ILE 5.74 4.96 1 119 ALA 3.38 2.40 1 120 ASP 2.62 2.70 1 121 PHE 0.08 1.13 1 124 ALA 3.03 2.83 1 126 LYS 5.73 4.94 1 127 LYS 4.25 3.34 1 128 ILE 4.21 3.32 1 129 TYR 3.01 3.30 1 131 VAL 0.25 -0.83 1 132 HIS -0.88 1.54 1 133 THR -0.37 -0.32 1 134 SER 0.83 1.80 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6333_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.11 _LACS_plot.Line_1_terminator_val_y_1 3.06 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.53 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.77 _LACS_plot.Line_2_terminator_val_x_2 6.51 _LACS_plot.Line_2_terminator_val_y_2 -1.32 _LACS_plot.Y_axis_chem_shift_offset -0.32 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 54 GLU -6.11 4.03 0 10 LEU 3.57 0.34 1 11 GLU 6.33 -1.44 1 12 SER 1.60 0.00 1 13 SER 0.81 0.62 1 14 LEU 3.71 -0.64 1 15 ASP -1.30 0.78 1 16 THR -1.74 -0.37 1 17 HIS 0.05 3.10 1 18 LEU -0.74 -1.80 1 19 LYS 3.89 -1.38 1 20 TRP -2.88 -0.92 1 21 LEU -0.78 0.59 1 22 SER -2.68 1.32 1 23 GLN 4.89 -1.27 1 24 GLU 4.27 -0.86 1 25 GLN 3.23 -0.65 1 26 LYS 5.48 -0.51 1 27 ASP 4.21 -0.89 1 28 GLU 3.66 -0.62 1 29 LEU 2.93 -0.11 1 30 LEU 3.75 -0.64 1 31 LYS 4.52 -1.09 1 32 MET 2.90 1.16 1 33 LYS 4.58 -0.86 1 34 LYS 4.42 -1.16 1 35 ASP 0.95 -0.24 1 37 LYS 1.12 -1.45 1 38 ALA -1.68 0.76 1 39 LYS 5.94 -0.88 1 40 LYS 3.53 -1.26 1 41 GLU 3.01 -0.52 1 42 LEU 4.53 -0.69 1 43 GLU 3.30 0.08 1 44 ALA 3.48 -1.11 1 45 LYS 3.35 -1.70 1 46 ILE 6.37 -0.53 1 47 LEU 4.49 -1.98 1 48 HIS 4.55 0.31 1 49 TYR 2.22 -1.94 1 50 TYR 2.43 -0.07 1 51 ASP 2.74 -0.36 1 52 GLU -0.31 0.88 1 53 LEU -1.59 1.49 1 56 ASP 4.41 -1.08 1 57 ALA 3.14 -0.61 1 58 LYS 3.70 -1.43 1 59 LYS 4.99 -0.96 1 60 GLU 2.84 -0.16 1 61 ALA 4.10 -0.69 1 62 THR 6.52 -0.96 1 63 GLU 3.80 -1.13 1 64 HIS 3.45 1.51 1 65 LEU 3.55 -0.31 1 66 LYS 5.61 -0.53 1 70 ARG 5.00 -0.37 1 71 GLU 3.57 -0.46 1 72 ILE 5.25 -1.38 1 73 LEU 4.56 -1.07 1 74 LYS 4.84 -0.83 1 75 HIS 2.81 1.90 1 76 VAL 4.67 -0.59 1 77 VAL -0.24 -0.64 1 79 GLU 3.64 0.14 1 80 GLU 4.61 -0.92 1 81 LYS 3.90 -3.25 1 82 ALA 4.63 -1.30 1 83 ALA 3.87 -1.40 1 84 GLU 2.90 0.04 1 85 LEU 3.43 -0.68 1 86 LYS 4.57 -0.87 1 87 ASN 4.14 -0.89 1 88 LEU 3.43 -0.58 1 89 LYS 5.01 -1.11 1 90 ASP 3.87 -1.12 1 91 SER 0.99 0.12 1 93 ALA -0.39 0.67 1 94 SER -2.22 1.50 1 95 LYS 5.01 -0.94 1 96 GLU 4.74 -0.90 1 97 GLU 2.56 -0.04 1 98 LEU 3.36 -0.31 1 99 LYS 4.70 -0.46 1 100 ALA 3.74 -1.14 1 101 LYS 3.24 -1.69 1 102 VAL 6.42 -1.51 1 103 GLU 4.76 -0.86 1 104 GLU 2.53 0.37 1 105 ALA 3.46 -1.28 1 106 LEU 3.64 -1.44 1 107 HIS 2.34 0.85 1 108 ALA -0.38 0.06 1 109 VAL 2.95 -0.98 1 110 THR -0.62 0.33 1 111 ASP -1.25 1.89 1 112 GLU 4.05 -0.24 1 113 GLU 3.48 -0.61 1 114 LYS 3.41 0.35 1 115 LYS 5.21 -1.11 1 116 GLN 4.31 -1.55 1 117 TYR 4.19 -0.88 1 118 ILE 5.74 -0.78 1 119 ALA 3.38 -0.98 1 120 ASP 2.62 0.08 1 121 PHE 0.08 1.05 1 124 ALA 3.03 -0.20 1 126 LYS 5.73 -0.79 1 127 LYS 4.25 -0.91 1 128 ILE 4.21 -0.89 1 129 TYR 3.01 0.29 1 131 VAL 0.25 -1.08 1 132 HIS -0.88 2.42 1 133 THR -0.37 0.05 1 134 SER 0.83 0.97 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6333_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.11 _LACS_plot.Line_1_terminator_val_y_1 0.30 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.27 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.03 _LACS_plot.Line_2_terminator_val_x_2 6.51 _LACS_plot.Line_2_terminator_val_y_2 -0.60 _LACS_plot.Y_axis_chem_shift_offset 0.12 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 54 GLU -6.11 0.24 0 10 LEU 3.57 -0.57 1 11 GLU 6.33 -0.70 1 12 SER 1.60 -0.12 1 13 SER 0.81 0.39 1 14 LEU 3.71 -0.67 1 15 ASP -1.30 0.13 1 16 THR -1.74 -0.06 1 17 HIS 0.05 -0.06 1 18 LEU -0.74 -0.07 1 19 LYS 3.89 -0.34 1 20 TRP -2.88 -0.30 1 21 LEU -0.78 -0.48 1 22 SER -2.68 -0.06 1 23 GLN 4.89 -0.69 1 24 GLU 4.27 -0.32 1 25 GLN 3.23 -0.48 1 26 LYS 5.48 -0.76 1 27 ASP 4.21 -0.36 1 28 GLU 3.66 -0.34 1 29 LEU 2.93 -0.28 1 30 LEU 3.75 -0.48 1 31 LYS 4.52 -0.40 1 32 MET 2.90 -0.44 1 33 LYS 4.58 -0.25 1 34 LYS 4.42 -0.32 1 35 ASP 0.95 -0.08 1 37 LYS 1.12 -0.17 1 38 ALA -1.68 -0.02 1 39 LYS 5.94 -0.49 1 40 LYS 3.53 -0.22 1 41 GLU 3.01 -0.22 1 42 LEU 4.53 -0.45 1 43 GLU 3.30 -0.68 1 44 ALA 3.48 -0.33 1 45 LYS 3.35 -0.47 1 46 ILE 6.37 -0.56 1 47 LEU 4.49 -0.08 1 48 HIS 4.55 -0.30 1 49 TYR 2.22 0.00 1 50 TYR 2.43 -0.49 1 51 ASP 2.74 -0.63 1 52 GLU -0.31 -0.26 1 53 LEU -1.59 -0.04 1 56 ASP 4.41 -0.30 1 57 ALA 3.14 -0.04 1 58 LYS 3.70 -0.64 1 59 LYS 4.99 -0.38 1 60 GLU 2.84 -0.40 1 61 ALA 4.10 -0.97 1 62 THR 6.52 -0.82 1 63 GLU 3.80 -0.44 1 65 LEU 3.55 -0.20 1 66 LYS 5.61 -0.81 1 70 ARG 5.00 -0.54 1 71 GLU 3.57 -0.34 1 72 ILE 5.25 -1.08 1 73 LEU 4.56 -0.56 1 74 LYS 4.84 -0.79 1 75 HIS 2.81 -0.48 1 76 VAL 4.67 -0.49 1 77 VAL -0.24 0.35 1 79 GLU 3.64 -0.58 1 80 GLU 4.61 -0.30 1 81 LYS 3.90 -0.15 1 82 ALA 4.63 -0.56 1 83 ALA 3.87 -0.24 1 84 GLU 2.90 -0.33 1 85 LEU 3.43 -0.44 1 86 LYS 4.57 -0.57 1 87 ASN 4.14 -0.35 1 88 LEU 3.43 -0.28 1 89 LYS 5.01 -0.38 1 90 ASP 3.87 -0.20 1 91 SER 0.99 -0.01 1 93 ALA -0.39 -0.11 1 94 SER -2.22 -0.09 1 95 LYS 5.01 -0.41 1 96 GLU 4.74 -0.44 1 97 GLU 2.56 -0.32 1 98 LEU 3.36 -0.51 1 99 LYS 4.70 -0.71 1 100 ALA 3.74 -0.20 1 101 LYS 3.24 -0.23 1 102 VAL 6.42 -0.65 1 103 GLU 4.76 -0.65 1 104 GLU 2.53 -0.41 1 105 ALA 3.46 -0.19 1 106 LEU 3.64 -0.39 1 107 HIS 2.34 -0.38 1 108 ALA -0.38 -0.06 1 109 VAL 2.95 -0.33 1 110 THR -0.62 0.07 1 111 ASP -1.25 -0.11 1 112 GLU 4.05 -0.54 1 113 GLU 3.48 -0.33 1 114 LYS 3.41 -0.14 1 115 LYS 5.21 -0.47 1 116 GLN 4.31 -0.36 1 117 TYR 4.19 0.00 1 118 ILE 5.74 -0.67 1 119 ALA 3.38 -0.24 1 120 ASP 2.62 -0.35 1 121 PHE 0.08 0.12 1 124 ALA 3.03 -0.35 1 126 LYS 5.73 -0.52 1 127 LYS 4.25 -0.25 1 128 ILE 4.21 -0.56 1 129 TYR 3.01 -0.48 1 131 VAL 0.25 0.13 1 132 HIS -0.88 -0.13 1 133 THR -0.37 -0.06 1 134 SER 0.83 -0.28 1 stop_ save_