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 bmr15444_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -4.52 _LACS_plot.Line_1_terminator_val_y_1 -2.20 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.95 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.53 _LACS_plot.Line_2_terminator_val_x_2 8.02 _LACS_plot.Line_2_terminator_val_y_2 6.02 _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 47 ALA -4.52 -0.37 0 94 HIS 2.75 5.63 0 10 GLU 0.36 0.39 1 11 LEU 0.95 0.63 1 12 SER 0.98 0.67 1 15 ARG 0.20 0.03 1 16 ILE 0.32 -0.24 1 17 ARG -0.23 -0.46 1 18 ARG -0.66 -0.29 1 20 PHE -0.25 -0.17 1 21 SER -3.27 -1.72 1 22 VAL 6.93 5.30 1 23 ALA 3.64 2.61 1 24 GLU 0.56 3.21 1 25 VAL 8.03 6.00 1 26 GLU 4.95 4.03 1 27 ALA 3.40 2.36 1 28 LEU 3.49 3.72 1 29 VAL 6.51 5.35 1 30 GLU 4.10 3.07 1 31 ALA 2.03 2.94 1 32 VAL 5.03 3.26 1 33 GLU 4.77 4.18 1 34 HIS 2.75 4.62 1 35 LEU -1.73 0.10 1 37 THR 0.18 -1.21 1 39 ARG -2.30 -2.09 1 40 TRP 3.34 2.79 1 41 ARG 6.68 4.05 1 42 ASP 3.78 2.92 1 43 VAL 6.12 4.87 1 44 LYS 5.23 3.85 1 45 MET 2.98 2.56 1 46 ARG 2.73 2.53 1 48 PHE -2.62 -1.24 1 49 ASP 3.13 3.12 1 50 ASN -0.11 -0.62 1 51 ALA -1.63 -2.21 1 52 ASP 3.14 2.42 1 53 HIS 0.80 1.47 1 54 ARG -1.87 -3.59 1 55 THR -3.45 -1.50 1 56 TYR 4.98 2.85 1 57 VAL 4.23 3.02 1 58 ASP 3.25 2.95 1 59 LEU 4.53 2.44 1 60 LYS 4.49 2.57 1 61 ASP 3.68 2.87 1 62 LYS 2.83 0.48 1 63 TRP 2.62 3.24 1 64 LYS 5.24 3.97 1 65 THR 5.25 4.07 1 66 LEU 3.63 2.91 1 67 VAL 6.35 4.60 1 68 HIS 4.14 5.21 1 69 THR 6.32 5.19 1 70 ALA 1.21 1.45 1 71 SER 1.34 1.45 1 72 ILE -1.79 -1.12 1 73 ALA 0.78 0.12 1 75 GLN 4.30 2.49 1 76 GLN -0.72 -0.30 1 77 ARG 2.39 1.31 1 78 ARG -2.89 -1.38 1 80 GLU 0.79 0.64 1 82 VAL -2.56 -0.58 1 84 GLN 3.64 2.77 1 85 ASP 4.31 2.68 1 86 LEU 2.76 2.04 1 87 LEU 4.98 2.87 1 88 ASP 4.90 3.50 1 89 ARG 2.29 3.38 1 90 VAL 6.01 4.33 1 91 LEU 3.84 2.96 1 92 ALA 3.55 2.60 1 93 ALA 3.32 2.57 1 95 ALA 3.75 2.77 1 96 TYR 4.01 3.66 1 97 TRP 2.85 2.30 1 98 SER 3.73 2.87 1 99 GLN 1.54 1.08 1 100 GLN 1.17 0.30 1 101 GLN 1.29 0.81 1 103 LYS 0.17 -0.09 1 104 GLN 0.29 0.20 1 105 HIS -0.46 1.16 1 106 VAL -0.59 -0.44 1 107 GLU -0.56 -0.03 1 109 LEU 0.57 0.32 1 110 LYS 0.04 -0.27 1 111 ILE 0.30 -0.17 1 112 LEU 0.20 0.02 1 113 ASP -0.30 -0.25 1 114 ALA 0.88 0.67 1 115 LYS 1.07 0.36 1 116 ALA 0.08 0.02 1 117 GLN -0.00 0.02 1 118 LYS 0.01 -0.16 1 119 VAL 0.68 0.35 1 121 ALA 0.22 1.21 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15444_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -4.52 _LACS_plot.Line_1_terminator_val_y_1 2.32 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -1.04 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.47 _LACS_plot.Line_2_terminator_val_x_2 8.02 _LACS_plot.Line_2_terminator_val_y_2 -2.00 _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 47 ALA -4.52 4.15 0 94 HIS 2.75 2.88 0 10 GLU 0.36 0.03 1 11 LEU 0.95 -0.32 1 12 SER 0.98 -0.31 1 15 ARG 0.20 -0.17 1 16 ILE 0.32 -0.56 1 17 ARG -0.23 -0.23 1 18 ARG -0.66 0.37 1 20 PHE -0.25 0.08 1 21 SER -3.27 1.55 1 22 VAL 6.93 -1.63 1 23 ALA 3.64 -1.03 1 24 GLU 0.56 2.65 1 25 VAL 8.03 -2.03 1 26 GLU 4.95 -0.92 1 27 ALA 3.40 -1.04 1 28 LEU 3.49 0.23 1 29 VAL 6.51 -1.16 1 30 GLU 4.10 -1.03 1 31 ALA 2.03 0.91 1 32 VAL 5.03 -1.77 1 33 GLU 4.77 -0.59 1 34 HIS 2.75 1.87 1 35 LEU -1.73 1.83 1 37 THR 0.18 -1.39 1 39 ARG -2.30 0.21 1 40 TRP 3.34 -0.55 1 41 ARG 6.68 -2.63 1 42 ASP 3.78 -0.86 1 43 VAL 6.12 -1.25 1 44 LYS 5.23 -1.38 1 45 MET 2.98 -0.42 1 46 ARG 2.73 -0.20 1 48 PHE -2.62 1.38 1 49 ASP 3.13 -0.01 1 50 ASN -0.11 -0.51 1 51 ALA -1.63 -0.58 1 52 ASP 3.14 -0.72 1 53 HIS 0.80 0.67 1 54 ARG -1.87 -1.72 1 55 THR -3.45 1.95 1 56 TYR 4.98 -2.13 1 57 VAL 4.23 -1.21 1 58 ASP 3.25 -0.30 1 59 LEU 4.53 -2.09 1 60 LYS 4.49 -1.92 1 61 ASP 3.68 -0.81 1 62 LYS 2.83 -2.35 1 63 TRP 2.62 0.62 1 64 LYS 5.24 -1.27 1 65 THR 5.25 -1.18 1 66 LEU 3.63 -0.72 1 67 VAL 6.35 -1.75 1 68 HIS 4.14 1.07 1 69 THR 6.32 -1.13 1 70 ALA 1.21 0.24 1 71 SER 1.34 0.11 1 72 ILE -1.79 0.67 1 73 ALA 0.78 -0.66 1 75 GLN 4.30 -1.81 1 76 GLN -0.72 0.42 1 77 ARG 2.39 -1.08 1 78 ARG -2.89 1.51 1 80 GLU 0.79 -0.15 1 82 VAL -2.56 1.98 1 84 GLN 3.64 -0.87 1 85 ASP 4.31 -1.63 1 86 LEU 2.76 -0.72 1 87 LEU 4.98 -2.11 1 88 ASP 4.90 -1.40 1 89 ARG 2.29 1.09 1 90 VAL 6.01 -1.68 1 91 LEU 3.84 -0.88 1 92 ALA 3.55 -0.95 1 93 ALA 3.32 -0.75 1 95 ALA 3.75 -0.98 1 96 TYR 4.01 -0.35 1 97 TRP 2.85 -0.55 1 98 SER 3.73 -0.86 1 99 GLN 1.54 -0.46 1 100 GLN 1.17 -0.87 1 101 GLN 1.29 -0.48 1 103 LYS 0.17 -0.26 1 104 GLN 0.29 -0.09 1 105 HIS -0.46 1.62 1 106 VAL -0.59 0.15 1 107 GLU -0.56 0.53 1 109 LEU 0.57 -0.25 1 110 LYS 0.04 -0.31 1 111 ILE 0.30 -0.47 1 112 LEU 0.20 -0.18 1 113 ASP -0.30 0.05 1 114 ALA 0.88 -0.21 1 115 LYS 1.07 -0.71 1 116 ALA 0.08 -0.06 1 117 GLN -0.00 0.02 1 118 LYS 0.01 -0.17 1 119 VAL 0.68 -0.33 1 121 ALA 0.22 0.99 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15444_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -4.52 _LACS_plot.Line_1_terminator_val_y_1 0.25 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.26 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.04 _LACS_plot.Line_2_terminator_val_x_2 8.02 _LACS_plot.Line_2_terminator_val_y_2 -0.70 _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 37 THR 0.18 -1.19 0 20 PHE -0.25 0.03 1 21 SER -3.27 0.19 1 22 VAL 6.93 -0.46 1 23 ALA 3.64 -0.06 1 24 GLU 0.56 -0.17 1 25 VAL 8.03 -0.49 1 26 GLU 4.95 -0.60 1 27 ALA 3.40 -0.16 1 28 LEU 3.49 -0.13 1 29 VAL 6.51 -0.44 1 30 GLU 4.10 -0.04 1 31 ALA 2.03 -0.39 1 32 VAL 5.03 -1.02 1 33 GLU 4.77 -0.52 1 34 HIS 2.75 -0.30 1 35 LEU -1.73 -0.35 1 39 ARG -2.30 0.20 1 40 TRP 3.34 -0.68 1 41 ARG 6.68 -0.47 1 42 ASP 3.78 -0.25 1 43 VAL 6.12 -0.83 1 44 LYS 5.23 -0.33 1 45 MET 2.98 -0.35 1 46 ARG 2.73 -0.34 1 47 ALA -4.52 0.18 1 48 PHE -2.62 0.23 1 49 ASP 3.13 -0.36 1 50 ASN -0.11 0.00 1 51 ALA -1.63 0.35 1 52 ASP 3.14 -0.42 1 53 HIS 0.80 -0.28 1 55 THR -3.45 0.25 1 56 TYR 4.98 -0.41 1 57 VAL 4.23 -0.97 1 58 ASP 3.25 -0.50 1 59 LEU 4.53 -0.61 1 61 ASP 3.68 -0.48 1 62 LYS 2.83 -0.38 1 63 TRP 2.62 -0.52 1 64 LYS 5.24 -0.69 1 65 THR 5.25 -0.36 1 66 LEU 3.63 -0.61 1 67 VAL 6.35 -1.35 1 68 HIS 4.14 -0.69 1 69 THR 6.32 -0.84 1 70 ALA 1.21 -0.50 1 71 SER 1.34 -0.25 1 72 ILE -1.79 0.15 1 73 ALA 0.78 -0.26 1 75 GLN 4.30 -0.24 1 76 GLN -0.72 -0.06 1 78 ARG -2.89 0.19 1 80 GLU 0.79 -0.30 1 82 VAL -2.56 -0.09 1 84 GLN 3.64 -0.70 1 85 ASP 4.31 -0.29 1 86 LEU 2.76 -0.16 1 87 LEU 4.98 -0.55 1 88 ASP 4.90 -0.27 1 89 ARG 2.29 -0.21 1 90 VAL 6.01 -0.31 1 91 LEU 3.84 -0.33 1 92 ALA 3.55 -0.08 1 93 ALA 3.32 0.23 1 94 HIS 2.75 -0.08 1 95 ALA 3.75 -0.38 1 96 TYR 4.01 -0.61 1 97 TRP 2.85 -0.38 1 98 SER 3.73 -0.20 1 99 GLN 1.54 -0.14 1 100 GLN 1.17 -0.30 1 105 HIS -0.46 -0.17 1 106 VAL -0.59 -0.09 1 107 GLU -0.56 -0.14 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15444_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -4.52 _LACS_plot.Line_1_terminator_val_y_1 -1.54 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.97 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.34 _LACS_plot.Line_2_terminator_val_x_2 8.02 _LACS_plot.Line_2_terminator_val_y_2 2.62 _LACS_plot.Y_axis_chem_shift_offset -0.23 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 121 ALA 0.22 4.86 0 10 GLU 0.36 0.27 1 11 LEU 0.95 0.22 1 12 SER 0.98 3.18 1 15 ARG 0.20 -0.36 1 16 ILE 0.32 -0.35 1 17 ARG -0.23 -0.46 1 18 ARG -0.66 0.43 1 20 PHE -0.25 1.41 1 21 SER -3.27 0.84 1 22 VAL 6.93 1.48 1 23 ALA 3.64 3.78 1 24 GLU 0.56 2.50 1 25 VAL 8.03 1.31 1 26 GLU 4.95 1.08 1 27 ALA 3.40 2.92 1 28 LEU 3.49 -0.67 1 29 VAL 6.51 0.66 1 30 GLU 4.10 2.58 1 31 ALA 2.03 1.46 1 32 VAL 5.03 3.11 1 33 GLU 4.77 2.14 1 34 HIS 2.75 2.23 1 35 LEU -1.73 -0.64 1 37 THR 0.18 -1.00 1 39 ARG -2.30 0.12 1 40 TRP 3.34 2.39 1 41 ARG 6.68 2.37 1 42 ASP 3.78 2.71 1 43 VAL 6.12 0.89 1 44 LYS 5.23 1.21 1 45 MET 2.98 0.66 1 46 ARG 2.73 1.07 1 47 ALA -4.52 -1.30 1 48 PHE -2.62 1.03 1 49 ASP 3.13 0.63 1 50 ASN -0.11 -1.10 1 51 ALA -1.63 -1.27 1 52 ASP 3.14 0.26 1 53 HIS 0.80 0.23 1 54 ARG -1.87 -1.52 1 55 THR -3.45 1.45 1 56 TYR 4.98 0.35 1 57 VAL 4.23 0.58 1 58 ASP 3.25 3.29 1 59 LEU 4.53 -1.62 1 60 LYS 4.49 1.90 1 61 ASP 3.68 2.45 1 62 LYS 2.83 1.80 1 63 TRP 2.62 0.19 1 64 LYS 5.24 3.47 1 65 THR 5.25 2.36 1 66 LEU 3.63 0.20 1 67 VAL 6.35 2.21 1 68 HIS 4.14 3.34 1 69 THR 6.32 0.25 1 70 ALA 1.21 -0.02 1 71 SER 1.34 -1.33 1 72 ILE -1.79 -1.77 1 73 ALA 0.78 1.06 1 75 GLN 4.30 0.71 1 76 GLN -0.72 -0.29 1 77 ARG 2.39 -0.18 1 78 ARG -2.89 0.17 1 80 GLU 0.79 0.49 1 82 VAL -2.56 -1.48 1 84 GLN 3.64 0.57 1 85 ASP 4.31 2.88 1 86 LEU 2.76 1.15 1 87 LEU 4.98 1.16 1 88 ASP 4.90 3.97 1 89 ARG 2.29 3.87 1 90 VAL 6.01 1.08 1 91 LEU 3.84 2.39 1 92 ALA 3.55 2.77 1 93 ALA 3.32 1.56 1 94 HIS 2.75 4.84 1 95 ALA 3.75 1.91 1 96 TYR 4.01 2.49 1 97 TRP 2.85 2.71 1 98 SER 3.73 1.06 1 99 GLN 1.54 0.82 1 100 GLN 1.17 0.58 1 101 GLN 1.29 0.69 1 103 LYS 0.17 -0.10 1 104 GLN 0.29 -0.45 1 105 HIS -0.46 0.62 1 106 VAL -0.59 -0.86 1 107 GLU -0.56 -0.56 1 109 LEU 0.57 -0.44 1 110 LYS 0.04 -0.53 1 111 ILE 0.30 -0.32 1 112 LEU 0.20 -0.83 1 113 ASP -0.30 -0.16 1 114 ALA 0.88 0.44 1 115 LYS 1.07 0.07 1 116 ALA 0.08 -0.16 1 117 GLN -0.00 0.35 1 118 LYS 0.01 -0.32 1 119 VAL 0.68 0.23 1 stop_ save_