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 bmr15402_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.07 _LACS_plot.Line_1_terminator_val_y_1 -3.80 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.59 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.31 _LACS_plot.Line_2_terminator_val_x_2 7.14 _LACS_plot.Line_2_terminator_val_y_2 5.60 _LACS_plot.Y_axis_chem_shift_offset -0.31 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 124 TYR 1.75 -3.43 0 10 ARG 5.84 4.42 1 11 GLU 4.18 2.97 1 12 HIS 4.75 4.73 1 13 ARG 5.00 4.48 1 14 ILE 4.42 4.37 1 15 GLU 2.28 2.91 1 16 THR 0.74 1.68 1 17 GLU -1.47 0.25 1 18 ILE 5.16 4.05 1 19 ILE 0.93 -0.60 1 20 VAL 3.06 0.89 1 21 ASP 1.83 1.03 1 22 ALA -0.68 0.22 1 23 GLU -1.99 0.58 1 24 ASP -2.83 -1.00 1 25 LYS 4.25 4.20 1 26 GLU 4.90 3.88 1 27 GLU 2.07 2.63 1 28 ARG 4.68 4.64 1 29 ALA 3.11 2.74 1 30 MET 0.28 0.76 1 32 TRP 4.92 4.23 1 33 TYR 4.32 5.15 1 34 TYR 5.59 4.22 1 35 TYR 2.95 3.60 1 36 LEU 4.96 3.35 1 37 ASP 2.09 3.55 1 38 ASP 0.07 1.53 1 39 THR 4.11 3.68 1 40 LEU 3.30 0.88 1 41 GLU -0.56 -1.87 1 42 PHE 0.46 1.02 1 44 PHE -3.96 -1.96 1 45 MET -1.57 -1.17 1 47 LYS -3.08 -1.72 1 48 TRP -5.13 -3.31 1 49 LYS -0.06 -0.72 1 50 LYS -1.27 -0.71 1 51 LYS -0.11 0.07 1 52 SER -0.93 -0.73 1 53 ARG 2.09 1.71 1 54 LYS 1.47 1.56 1 55 THR -1.25 -0.86 1 56 SER 1.60 0.83 1 57 THR -0.71 -0.07 1 58 ILE -0.57 -0.39 1 59 GLU -3.46 -1.60 1 60 GLU -2.92 -1.12 1 61 LYS -3.87 -1.25 1 62 THR 2.70 1.63 1 63 VAL -7.07 -3.47 1 64 GLU -3.25 -1.17 1 65 VAL 3.68 0.28 1 66 LEU 0.17 1.27 1 68 MET 0.69 -1.53 1 69 ALA 1.27 0.75 1 71 ASP 5.88 3.49 1 72 ASP 2.20 1.08 1 73 GLU -0.25 -0.12 1 75 LEU 1.57 1.16 1 76 LYS -1.65 -0.02 1 77 ASP -4.08 -1.90 1 78 MET -4.66 -2.66 1 79 TYR -3.86 -0.88 1 80 VAL -5.62 -3.91 1 81 GLU -2.41 -1.60 1 82 VAL -6.87 -4.76 1 83 ALA -6.20 -2.29 1 84 ASP -0.16 0.60 1 85 ILE 2.08 1.06 1 88 LYS 0.51 0.40 1 89 ASP 0.44 0.81 1 90 ASP 0.25 -0.05 1 91 ASP -0.19 0.27 1 92 VAL -2.41 -1.19 1 93 TYR -4.12 -1.67 1 94 THR -0.04 0.02 1 95 ALA -5.23 -2.39 1 96 LYS 2.03 1.37 1 97 LEU 2.87 2.43 1 98 SER 2.90 1.92 1 99 ASP -0.09 0.57 1 100 ILE -2.74 -2.85 1 101 GLU -4.12 -2.30 1 102 ALA -1.56 0.23 1 103 ILE -1.92 -0.40 1 104 ASP 2.72 1.06 1 105 VAL -4.53 -2.93 1 106 ASP -1.89 -0.93 1 107 ASP 4.02 3.74 1 108 ASP 4.57 3.47 1 109 THR 7.14 5.49 1 110 GLN 3.87 3.46 1 111 GLU 1.82 2.11 1 112 ALA 3.34 2.72 1 113 ILE 6.15 5.66 1 114 ALA 4.15 2.99 1 115 ASP 5.84 4.61 1 116 TRP 0.92 1.32 1 117 LEU 4.26 2.79 1 118 TYR 3.78 3.71 1 119 TRP 4.95 3.60 1 120 LEU 2.02 1.63 1 121 ALA 2.50 2.11 1 122 ARG 2.72 -1.91 1 125 LYS -5.22 -2.35 1 126 PHE 4.25 2.20 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15402_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.07 _LACS_plot.Line_1_terminator_val_y_1 3.27 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.41 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.69 _LACS_plot.Line_2_terminator_val_x_2 7.14 _LACS_plot.Line_2_terminator_val_y_2 -1.54 _LACS_plot.Y_axis_chem_shift_offset -0.31 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 124 TYR 1.75 -5.18 0 10 ARG 5.84 -1.42 1 11 GLU 4.18 -1.21 1 12 HIS 4.75 -0.02 1 13 ARG 5.00 -0.52 1 14 ILE 4.42 -0.05 1 15 GLU 2.28 0.63 1 16 THR 0.74 0.94 1 17 GLU -1.47 1.72 1 18 ILE 5.16 -1.11 1 19 ILE 0.93 -1.53 1 20 VAL 3.06 -2.17 1 21 ASP 1.83 -0.80 1 22 ALA -0.68 0.90 1 23 GLU -1.99 2.57 1 24 ASP -2.83 1.83 1 25 LYS 4.25 -0.05 1 26 GLU 4.90 -1.02 1 27 GLU 2.07 0.56 1 28 ARG 4.68 -0.04 1 29 ALA 3.11 -0.37 1 30 MET 0.28 0.48 1 32 TRP 4.92 -0.69 1 33 TYR 4.32 0.83 1 34 TYR 5.59 -1.37 1 35 TYR 2.95 0.65 1 36 LEU 4.96 -1.61 1 37 ASP 2.09 1.46 1 38 ASP 0.07 1.46 1 39 THR 4.11 -0.43 1 40 LEU 3.30 -2.42 1 41 GLU -0.56 -1.31 1 42 PHE 0.46 0.56 1 44 PHE -3.96 2.00 1 45 MET -1.57 0.40 1 47 LYS -3.08 1.36 1 48 TRP -5.13 1.82 1 49 LYS -0.06 -0.66 1 50 LYS -1.27 0.56 1 51 LYS -0.11 0.18 1 52 SER -0.93 0.20 1 53 ARG 2.09 -0.38 1 54 LYS 1.47 0.09 1 55 THR -1.25 0.39 1 56 SER 1.60 -0.77 1 57 THR -0.71 0.64 1 58 ILE -0.57 0.18 1 59 GLU -3.46 1.86 1 60 GLU -2.92 1.80 1 61 LYS -3.87 2.62 1 62 THR 2.70 -1.07 1 63 VAL -7.07 3.60 1 64 GLU -3.25 2.08 1 65 VAL 3.68 -3.40 1 66 LEU 0.17 1.10 1 68 MET 0.69 -2.22 1 69 ALA 1.27 -0.52 1 71 ASP 5.88 -2.39 1 72 ASP 2.20 -1.12 1 73 GLU -0.25 0.13 1 75 LEU 1.57 -0.41 1 76 LYS -1.65 1.63 1 77 ASP -4.08 2.18 1 78 MET -4.66 2.00 1 79 TYR -3.86 2.98 1 80 VAL -5.62 1.71 1 81 GLU -2.41 0.81 1 82 VAL -6.87 2.11 1 83 ALA -6.20 3.91 1 84 ASP -0.16 0.76 1 85 ILE 2.08 -1.02 1 88 LYS 0.51 -0.11 1 89 ASP 0.44 0.37 1 90 ASP 0.25 -0.30 1 91 ASP -0.19 0.46 1 92 VAL -2.41 1.22 1 93 TYR -4.12 2.45 1 94 THR -0.04 0.06 1 95 ALA -5.23 2.84 1 96 LYS 2.03 -0.66 1 97 LEU 2.87 -0.44 1 98 SER 2.90 -0.98 1 99 ASP -0.09 0.66 1 100 ILE -2.74 -0.11 1 101 GLU -4.12 1.82 1 102 ALA -1.56 1.79 1 103 ILE -1.92 1.52 1 104 ASP 2.72 -1.66 1 105 VAL -4.53 1.60 1 106 ASP -1.89 0.96 1 107 ASP 4.02 -0.28 1 108 ASP 4.57 -1.10 1 109 THR 7.14 -1.65 1 110 GLN 3.87 -0.41 1 111 GLU 1.82 0.29 1 112 ALA 3.34 -0.62 1 113 ILE 6.15 -0.49 1 114 ALA 4.15 -1.16 1 115 ASP 5.84 -1.23 1 116 TRP 0.92 0.40 1 117 LEU 4.26 -1.47 1 118 TYR 3.78 -0.07 1 119 TRP 4.95 -1.35 1 120 LEU 2.02 -0.39 1 121 ALA 2.50 -0.39 1 122 ARG 2.72 -4.63 1 125 LYS -5.22 2.87 1 126 PHE 4.25 -2.05 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15402_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.07 _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 -0.18 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.25 _LACS_plot.Line_2_terminator_val_x_2 7.14 _LACS_plot.Line_2_terminator_val_y_2 -0.72 _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 71 ASP 5.88 -1.66 0 29 ALA 3.11 -1.55 0 10 ARG 5.84 -0.41 1 11 GLU 4.18 -0.25 1 12 HIS 4.75 -0.28 1 13 ARG 5.00 -0.43 1 14 ILE 4.42 -0.82 1 15 GLU 2.28 -0.33 1 16 THR 0.74 -0.10 1 17 GLU -1.47 0.21 1 18 ILE 5.16 -0.71 1 19 ILE 0.93 -0.01 1 20 VAL 3.06 -0.40 1 21 ASP 1.83 -0.11 1 22 ALA -0.68 0.09 1 23 GLU -1.99 0.19 1 24 ASP -2.83 0.24 1 25 LYS 4.25 0.07 1 26 GLU 4.90 -0.33 1 27 GLU 2.07 -0.32 1 28 ARG 4.68 -0.49 1 30 MET 0.28 0.06 1 32 TRP 4.92 -0.66 1 33 TYR 4.32 -0.66 1 34 TYR 5.59 -0.24 1 35 TYR 2.95 -0.12 1 36 LEU 4.96 -0.61 1 37 ASP 2.09 -0.25 1 38 ASP 0.07 -0.02 1 39 THR 4.11 -0.50 1 40 LEU 3.30 -0.63 1 41 GLU -0.56 0.02 1 42 PHE 0.46 -0.24 1 44 PHE -3.96 0.55 1 45 MET -1.57 0.82 1 47 LYS -3.08 0.82 1 48 TRP -5.13 0.80 1 49 LYS -0.06 0.17 1 50 LYS -1.27 -0.30 1 51 LYS -0.11 0.04 1 52 SER -0.93 0.05 1 53 ARG 2.09 -0.08 1 54 LYS 1.47 -0.04 1 55 THR -1.25 0.16 1 56 SER 1.60 -0.13 1 57 THR -0.71 0.02 1 58 ILE -0.57 0.08 1 59 GLU -3.46 0.08 1 60 GLU -2.92 0.60 1 61 LYS -3.87 0.43 1 62 THR 2.70 0.64 1 63 VAL -7.07 1.09 1 64 GLU -3.25 0.36 1 65 VAL 3.68 -0.21 1 66 LEU 0.17 -0.28 1 68 MET 0.69 0.31 1 69 ALA 1.27 -0.25 1 72 ASP 2.20 -0.45 1 73 GLU -0.25 0.05 1 75 LEU 1.57 -0.23 1 76 LYS -1.65 0.58 1 77 ASP -4.08 0.13 1 78 MET -4.66 0.51 1 79 TYR -3.86 0.72 1 80 VAL -5.62 0.83 1 81 GLU -2.41 0.53 1 82 VAL -6.87 1.29 1 83 ALA -6.20 0.72 1 84 ASP -0.16 0.19 1 85 ILE 2.08 0.06 1 88 LYS 0.51 0.05 1 89 ASP 0.44 -0.06 1 90 ASP 0.25 0.00 1 91 ASP -0.19 -0.03 1 92 VAL -2.41 0.49 1 93 TYR -4.12 0.35 1 94 THR -0.04 0.67 1 95 ALA -5.23 0.42 1 96 LYS 2.03 -0.33 1 97 LEU 2.87 -0.31 1 98 SER 2.90 -0.25 1 99 ASP -0.09 0.51 1 100 ILE -2.74 0.90 1 101 GLU -4.12 0.40 1 102 ALA -1.56 0.24 1 103 ILE -1.92 0.07 1 104 ASP 2.72 -0.28 1 105 VAL -4.53 0.60 1 106 ASP -1.89 -0.04 1 107 ASP 4.02 -0.39 1 108 ASP 4.57 -0.28 1 109 THR 7.14 -0.75 1 110 GLN 3.87 -0.60 1 111 GLU 1.82 -0.05 1 112 ALA 3.34 0.29 1 113 ILE 6.15 -0.46 1 114 ALA 4.15 -0.15 1 115 ASP 5.84 0.11 1 116 TRP 0.92 -0.08 1 117 LEU 4.26 -0.64 1 118 TYR 3.78 -0.35 1 119 TRP 4.95 -0.82 1 120 LEU 2.02 -0.70 1 121 ALA 2.50 -0.41 1 122 ARG 2.72 -0.82 1 124 TYR 1.75 -0.33 1 125 LYS -5.22 0.36 1 126 PHE 4.25 0.13 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15402_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.07 _LACS_plot.Line_1_terminator_val_y_1 -2.37 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.74 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.61 _LACS_plot.Line_2_terminator_val_x_2 7.14 _LACS_plot.Line_2_terminator_val_y_2 2.38 _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 12 HIS 4.75 4.45 0 118 TYR 3.78 4.51 0 27 GLU 2.07 4.15 0 120 LEU 2.02 4.24 0 10 ARG 5.84 2.49 1 11 GLU 4.18 2.27 1 13 ARG 5.00 1.92 1 14 ILE 4.42 1.66 1 15 GLU 2.28 1.67 1 16 THR 0.74 0.94 1 17 GLU -1.47 -0.32 1 18 ILE 5.16 -0.28 1 19 ILE 0.93 -0.44 1 20 VAL 3.06 -1.63 1 21 ASP 1.83 -1.31 1 22 ALA -0.68 0.11 1 23 GLU -1.99 -0.75 1 24 ASP -2.83 0.41 1 25 LYS 4.25 2.82 1 26 GLU 4.90 1.84 1 28 ARG 4.68 0.55 1 29 ALA 3.11 2.11 1 30 MET 0.28 2.25 1 32 TRP 4.92 1.09 1 33 TYR 4.32 1.53 1 34 TYR 5.59 3.09 1 35 TYR 2.95 3.04 1 36 LEU 4.96 0.82 1 37 ASP 2.09 1.58 1 38 ASP 0.07 1.78 1 39 THR 4.11 0.21 1 40 LEU 3.30 -1.17 1 41 GLU -0.56 -1.79 1 44 PHE -3.96 -2.61 1 45 MET -1.57 -0.30 1 47 LYS -3.08 -1.28 1 48 TRP -5.13 -0.88 1 49 LYS -0.06 -2.49 1 50 LYS -1.27 -1.01 1 51 LYS -0.11 -0.16 1 54 LYS 1.47 0.59 1 55 THR -1.25 -0.05 1 56 SER 1.60 -0.47 1 57 THR -0.71 -0.90 1 58 ILE -0.57 -0.69 1 59 GLU -3.46 -1.98 1 60 GLU -2.92 -0.69 1 61 LYS -3.87 -0.83 1 62 THR 2.70 -0.64 1 63 VAL -7.07 -2.70 1 64 GLU -3.25 -1.66 1 65 VAL 3.68 -0.43 1 66 LEU 0.17 0.17 1 68 MET 0.69 2.53 1 71 ASP 5.88 1.44 1 72 ASP 2.20 1.35 1 73 GLU -0.25 1.62 1 75 LEU 1.57 0.53 1 76 LYS -1.65 -0.46 1 77 ASP -4.08 -3.33 1 78 MET -4.66 -0.67 1 79 TYR -3.86 -1.78 1 80 VAL -5.62 -1.92 1 81 GLU -2.41 -0.59 1 82 VAL -6.87 -3.30 1 83 ALA -6.20 -0.57 1 84 ASP -0.16 1.35 1 85 ILE 2.08 1.22 1 88 LYS 0.51 0.32 1 89 ASP 0.44 -0.35 1 90 ASP 0.25 -0.35 1 91 ASP -0.19 -1.51 1 92 VAL -2.41 -0.71 1 93 TYR -4.12 -1.42 1 94 THR -0.04 -1.26 1 95 ALA -5.23 -1.13 1 96 LYS 2.03 1.91 1 97 LEU 2.87 -0.28 1 98 SER 2.90 0.26 1 99 ASP -0.09 -1.85 1 100 ILE -2.74 -0.99 1 101 GLU -4.12 -0.99 1 102 ALA -1.56 -0.72 1 103 ILE -1.92 -2.12 1 104 ASP 2.72 -1.20 1 105 VAL -4.53 -0.24 1 106 ASP -1.89 -0.71 1 107 ASP 4.02 1.81 1 108 ASP 4.57 2.33 1 109 THR 7.14 0.74 1 110 GLN 3.87 2.67 1 111 GLU 1.82 0.77 1 112 ALA 3.34 2.17 1 113 ILE 6.15 1.69 1 114 ALA 4.15 3.57 1 115 ASP 5.84 1.45 1 116 TRP 0.92 0.77 1 117 LEU 4.26 2.88 1 119 TRP 4.95 1.26 1 121 ALA 2.50 2.27 1 122 ARG 2.72 0.05 1 124 TYR 1.75 -1.66 1 125 LYS -5.22 -0.06 1 stop_ save_