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 bmr30135_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -2.44 _LACS_plot.Line_1_terminator_val_y_1 -1.19 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 1.15 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.35 _LACS_plot.Line_2_terminator_val_x_2 7.77 _LACS_plot.Line_2_terminator_val_y_2 5.72 _LACS_plot.Y_axis_chem_shift_offset -0.10 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 83 LYS -0.18 -3.74 0 10 GLN 1.73 1.17 1 11 ASP 1.59 1.17 1 12 TRP 1.87 0.94 1 13 LEU 2.20 1.49 1 14 GLU 1.75 1.32 1 15 ALA 1.88 1.15 1 16 LEU 1.74 1.03 1 17 HIS 1.60 1.68 1 18 TRP 0.99 0.52 1 19 TYR 1.28 0.78 1 20 ASN 0.81 0.62 1 21 THR 1.18 0.93 1 22 ALA 0.98 0.40 1 23 LEU 0.50 0.36 1 24 GLU -0.20 0.00 1 25 MET 0.20 0.09 1 26 THR -0.16 0.01 1 27 ASP 0.22 0.21 1 29 ASP 0.06 0.24 1 30 GLU -0.07 0.22 1 33 GLU -0.33 -0.05 1 34 TYR -0.24 -0.45 1 35 ASP 0.03 0.06 1 37 MET 0.64 0.32 1 38 GLN -0.06 0.19 1 39 ASP -0.33 -0.22 1 40 GLU -1.05 0.10 1 42 ARG 4.78 3.61 1 43 TYR 2.83 1.06 1 44 MET 3.11 2.63 1 45 MET 4.30 3.52 1 46 LEU 2.04 2.40 1 47 ALA 2.50 1.94 1 48 ARG 4.46 3.42 1 49 GLU 3.19 2.63 1 50 ALA 5.89 2.88 1 51 GLU 3.33 2.72 1 52 MET 3.89 3.40 1 53 LEU 1.13 1.14 1 54 PHE 2.92 2.89 1 55 THR 0.16 1.11 1 58 TYR 2.92 1.00 1 60 LEU -2.44 -1.26 1 61 GLU -0.85 -0.67 1 62 LYS 0.81 0.89 1 63 ASP -2.09 -0.83 1 65 GLN 4.68 3.93 1 66 ARG 2.83 2.44 1 67 SER 5.36 4.75 1 69 ASP 4.27 3.75 1 70 LEU 3.16 3.03 1 71 TYR 6.56 5.18 1 72 THR 7.78 6.27 1 73 GLN 3.91 3.59 1 74 ALA 5.15 3.10 1 75 ALA 5.81 3.56 1 76 GLU 3.60 3.01 1 77 ALA 3.50 2.08 1 78 ALA 5.63 2.67 1 79 MET 3.74 2.39 1 80 GLU 3.18 2.63 1 81 ALA -0.79 -0.92 1 82 MET 5.13 0.70 1 85 ARG 5.40 3.46 1 86 LEU 3.03 1.76 1 87 ALA 3.91 3.49 1 88 ASN 3.87 3.72 1 89 GLN 4.59 3.23 1 90 TYR 3.05 0.02 1 91 TYR 5.49 4.23 1 92 GLN 4.91 3.37 1 93 LYS 6.05 1.59 1 94 ALA 4.37 2.79 1 95 GLU 3.42 2.69 1 96 GLU 2.71 2.51 1 97 ALA 5.22 2.87 1 98 TRP 1.76 0.65 1 99 ALA 2.31 1.37 1 100 GLN 1.28 0.68 1 101 MET 0.61 0.88 1 102 GLU -0.93 -0.26 1 103 GLU 0.26 1.54 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30135_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -2.44 _LACS_plot.Line_1_terminator_val_y_1 1.25 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.84 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.65 _LACS_plot.Line_2_terminator_val_x_2 7.77 _LACS_plot.Line_2_terminator_val_y_2 -2.05 _LACS_plot.Y_axis_chem_shift_offset -0.10 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 83 LYS -0.18 -3.56 0 10 GLN 1.73 -0.56 1 11 ASP 1.59 -0.42 1 12 TRP 1.87 -0.93 1 13 LEU 2.20 -0.71 1 14 GLU 1.75 -0.43 1 15 ALA 1.88 -0.73 1 16 LEU 1.74 -0.71 1 17 HIS 1.60 0.08 1 18 TRP 0.99 -0.47 1 19 TYR 1.28 -0.50 1 20 ASN 0.81 -0.19 1 21 THR 1.18 -0.25 1 22 ALA 0.98 -0.58 1 23 LEU 0.50 -0.14 1 24 GLU -0.20 0.20 1 25 MET 0.20 -0.11 1 26 THR -0.16 0.17 1 27 ASP 0.22 -0.01 1 29 ASP 0.06 0.18 1 30 GLU -0.07 0.29 1 33 GLU -0.33 0.28 1 34 TYR -0.24 -0.21 1 35 ASP 0.03 0.03 1 37 MET 0.64 -0.32 1 38 GLN -0.06 0.25 1 39 ASP -0.33 0.11 1 40 GLU -1.05 1.15 1 42 ARG 4.78 -1.17 1 43 TYR 2.83 -1.77 1 44 MET 3.11 -0.48 1 45 MET 4.30 -0.78 1 46 LEU 2.04 0.36 1 47 ALA 2.50 -0.56 1 48 ARG 4.46 -1.04 1 49 GLU 3.19 -0.56 1 50 ALA 5.89 -3.01 1 51 GLU 3.33 -0.61 1 52 MET 3.89 -0.49 1 53 LEU 1.13 0.01 1 54 PHE 2.92 -0.03 1 55 THR 0.16 0.95 1 58 TYR 2.92 -1.92 1 60 LEU -2.44 1.18 1 61 GLU -0.85 0.18 1 62 LYS 0.81 0.08 1 63 ASP -2.09 1.26 1 65 GLN 4.68 -0.75 1 66 ARG 2.83 -0.39 1 67 SER 5.36 -0.61 1 69 ASP 4.27 -0.52 1 70 LEU 3.16 -0.13 1 71 TYR 6.56 -1.38 1 72 THR 7.78 -1.51 1 73 GLN 3.91 -0.32 1 74 ALA 5.15 -2.05 1 75 ALA 5.81 -2.25 1 76 GLU 3.60 -0.59 1 77 ALA 3.50 -1.42 1 78 ALA 5.63 -2.96 1 79 MET 3.74 -1.35 1 80 GLU 3.18 -0.55 1 81 ALA -0.79 -0.13 1 82 MET 5.13 -4.43 1 85 ARG 5.40 -1.94 1 86 LEU 3.03 -1.27 1 87 ALA 3.91 -0.42 1 88 ASN 3.87 -0.15 1 89 GLN 4.59 -1.36 1 90 TYR 3.05 -3.03 1 91 TYR 5.49 -1.26 1 92 GLN 4.91 -1.54 1 93 LYS 6.05 -4.46 1 94 ALA 4.37 -1.58 1 95 GLU 3.42 -0.73 1 96 GLU 2.71 -0.20 1 97 ALA 5.22 -2.35 1 98 TRP 1.76 -1.11 1 99 ALA 2.31 -0.94 1 100 GLN 1.28 -0.60 1 101 MET 0.61 0.27 1 102 GLU -0.93 0.67 1 103 GLU 0.26 1.28 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30135_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -2.44 _LACS_plot.Line_1_terminator_val_y_1 0.13 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.20 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.10 _LACS_plot.Line_2_terminator_val_x_2 7.77 _LACS_plot.Line_2_terminator_val_y_2 -0.63 _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 47 ALA 2.50 -0.96 0 10 GLN 1.73 -0.16 1 11 ASP 1.59 -0.14 1 12 TRP 1.87 -0.18 1 13 LEU 2.20 -0.54 1 14 GLU 1.75 -0.33 1 15 ALA 1.88 -0.21 1 16 LEU 1.74 -0.23 1 17 HIS 1.60 -0.26 1 18 TRP 0.99 -0.20 1 19 TYR 1.28 -0.30 1 20 ASN 0.81 -0.17 1 21 THR 1.18 -0.17 1 22 ALA 0.98 -0.10 1 23 LEU 0.50 -0.12 1 24 GLU -0.20 -0.11 1 25 MET 0.20 0.05 1 26 THR -0.16 0.04 1 27 ASP 0.22 0.02 1 29 ASP 0.06 0.03 1 30 GLU -0.07 -0.02 1 33 GLU -0.33 -0.08 1 34 TYR -0.24 0.09 1 35 ASP 0.03 -0.12 1 37 MET 0.64 -0.04 1 38 GLN -0.06 -0.02 1 39 ASP -0.33 -0.08 1 40 GLU -1.05 -0.41 1 42 ARG 4.78 -0.39 1 43 TYR 2.83 -0.38 1 44 MET 3.11 -0.17 1 45 MET 4.30 -0.53 1 46 LEU 2.04 -0.40 1 48 ARG 4.46 -0.32 1 49 GLU 3.19 -0.45 1 50 ALA 5.89 -0.76 1 51 GLU 3.33 -0.18 1 52 MET 3.89 -0.30 1 53 LEU 1.13 -0.12 1 54 PHE 2.92 -0.36 1 55 THR 0.16 -0.16 1 58 TYR 2.92 -0.23 1 60 LEU -2.44 0.25 1 61 GLU -0.85 -0.06 1 62 LYS 0.81 -0.16 1 63 ASP -2.09 0.02 1 65 GLN 4.68 -0.11 1 66 ARG 2.83 -0.09 1 67 SER 5.36 -0.63 1 69 ASP 4.27 0.06 1 70 LEU 3.16 -0.34 1 71 TYR 6.56 -0.59 1 72 THR 7.78 -0.53 1 73 GLN 3.91 -0.26 1 74 ALA 5.15 -0.47 1 75 ALA 5.81 -0.35 1 76 GLU 3.60 -0.55 1 77 ALA 3.50 0.00 1 78 ALA 5.63 -0.75 1 79 MET 3.74 -0.41 1 80 GLU 3.18 -0.28 1 81 ALA -0.79 0.21 1 82 MET 5.13 -0.42 1 83 LYS -0.18 0.40 1 85 ARG 5.40 -0.32 1 86 LEU 3.03 -0.65 1 87 ALA 3.91 -0.57 1 88 ASN 3.87 -0.18 1 89 GLN 4.59 -0.36 1 90 TYR 3.05 -0.18 1 91 TYR 5.49 -0.34 1 92 GLN 4.91 -0.33 1 93 LYS 6.05 -0.69 1 94 ALA 4.37 -0.76 1 95 GLU 3.42 -0.21 1 96 GLU 2.71 -0.32 1 97 ALA 5.22 -0.16 1 98 TRP 1.76 -0.03 1 99 ALA 2.31 0.05 1 100 GLN 1.28 -0.01 1 101 MET 0.61 -0.03 1 102 GLU -0.93 0.07 1 103 GLU 0.26 -0.21 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30135_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -2.44 _LACS_plot.Line_1_terminator_val_y_1 -1.69 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.89 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.30 _LACS_plot.Line_2_terminator_val_x_2 7.77 _LACS_plot.Line_2_terminator_val_y_2 3.97 _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 79 MET 3.74 4.69 0 55 THR 0.16 2.90 0 82 MET 5.13 -0.63 0 72 THR 7.78 1.38 0 10 GLN 1.73 0.38 1 11 ASP 1.59 0.75 1 12 TRP 1.87 0.65 1 13 LEU 2.20 0.98 1 14 GLU 1.75 1.03 1 15 ALA 1.88 0.79 1 16 LEU 1.74 0.25 1 17 HIS 1.60 1.66 1 18 TRP 0.99 0.38 1 19 TYR 1.28 -0.26 1 20 ASN 0.81 0.61 1 21 THR 1.18 -0.09 1 22 ALA 0.98 0.08 1 23 LEU 0.50 -0.22 1 24 GLU -0.20 -0.22 1 25 MET 0.20 -0.08 1 26 THR -0.16 -0.54 1 27 ASP 0.22 -0.34 1 29 ASP 0.06 -0.06 1 30 GLU -0.07 0.45 1 33 GLU -0.33 -0.38 1 34 TYR -0.24 -0.37 1 35 ASP 0.03 0.30 1 37 MET 0.64 0.01 1 38 GLN -0.06 -0.65 1 39 ASP -0.33 -0.93 1 40 GLU -1.05 -0.91 1 42 ARG 4.78 1.57 1 43 TYR 2.83 -0.28 1 44 MET 3.11 2.05 1 45 MET 4.30 2.72 1 46 LEU 2.04 0.17 1 47 ALA 2.50 1.37 1 48 ARG 4.46 2.69 1 49 GLU 3.19 1.89 1 50 ALA 5.89 3.20 1 51 GLU 3.33 2.62 1 52 MET 3.89 2.69 1 53 LEU 1.13 -0.40 1 54 PHE 2.92 1.07 1 58 TYR 2.92 0.60 1 60 LEU -2.44 -1.16 1 61 GLU -0.85 -0.51 1 62 LYS 0.81 0.20 1 63 ASP -2.09 -2.32 1 65 GLN 4.68 2.26 1 66 ARG 2.83 2.20 1 67 SER 5.36 2.30 1 69 ASP 4.27 2.92 1 70 LEU 3.16 2.01 1 71 TYR 6.56 2.86 1 73 GLN 3.91 3.84 1 74 ALA 5.15 0.80 1 75 ALA 5.81 1.54 1 76 GLU 3.60 2.95 1 77 ALA 3.50 2.69 1 78 ALA 5.63 1.57 1 80 GLU 3.18 0.58 1 81 ALA -0.79 -2.32 1 83 LYS -0.18 0.13 1 85 ARG 5.40 3.36 1 86 LEU 3.03 -0.05 1 87 ALA 3.91 0.75 1 88 ASN 3.87 2.59 1 89 GLN 4.59 2.94 1 90 TYR 3.05 2.33 1 91 TYR 5.49 3.06 1 92 GLN 4.91 2.99 1 93 LYS 6.05 2.17 1 94 ALA 4.37 0.03 1 95 GLU 3.42 3.34 1 96 GLU 2.71 2.25 1 97 ALA 5.22 2.07 1 98 TRP 1.76 3.06 1 99 ALA 2.31 1.14 1 100 GLN 1.28 0.66 1 101 MET 0.61 -0.29 1 102 GLU -0.93 -1.15 1 stop_ save_