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 bmr18130_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.87 _LACS_plot.Line_1_terminator_val_y_1 -5.13 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.72 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.24 _LACS_plot.Line_2_terminator_val_x_2 9.80 _LACS_plot.Line_2_terminator_val_y_2 5.89 _LACS_plot.Y_axis_chem_shift_offset 0.15 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 53 HIS -9.87 -2.64 0 11 ALA -2.01 -1.94 1 12 ARG 5.43 2.56 1 13 ASP 3.35 1.74 1 14 GLU 2.15 1.39 1 15 LEU 3.25 2.08 1 16 ASP 2.25 1.27 1 17 ARG -1.30 -1.80 1 18 LEU 0.36 -0.26 1 19 ALA -0.92 -0.52 1 22 THR -1.41 0.46 1 23 LEU -2.81 -2.48 1 24 VAL 0.27 -1.52 1 25 GLU -6.65 -4.20 1 26 PHE -4.50 -1.76 1 28 THR -5.67 -3.25 1 29 ASP 1.83 1.88 1 30 TRP -2.21 -3.15 1 33 HIS 3.25 4.57 1 35 GLN 5.08 3.00 1 36 ALA 3.05 1.54 1 37 ALA 0.24 0.12 1 38 GLN 9.80 5.79 1 40 LEU 2.56 1.55 1 41 LEU 2.87 1.94 1 42 ALA 3.60 2.17 1 43 GLU 2.88 1.88 1 44 VAL 2.88 2.04 1 45 PHE 3.47 1.07 1 46 SER 3.80 2.50 1 47 ASP -0.20 -0.20 1 48 TYR -1.05 0.06 1 50 GLU 2.11 0.28 1 51 VAL 2.01 0.77 1 54 LEU -3.18 -1.74 1 55 LYS -3.09 -1.84 1 56 VAL -0.82 -0.68 1 57 GLU -1.85 -2.32 1 58 ASP -4.01 -2.85 1 62 ARG 4.11 2.16 1 63 ARG 5.28 3.24 1 64 LEU 4.04 3.33 1 66 ARG 4.08 2.54 1 67 SER 0.17 0.69 1 68 PHE 5.00 0.55 1 69 GLN 4.86 2.04 1 70 VAL -1.91 -0.58 1 71 LYS -5.51 -2.33 1 72 LEU -5.31 -4.27 1 73 TRP 0.02 1.41 1 75 THR -1.17 -1.36 1 76 PHE 0.11 -0.18 1 77 VAL 0.84 -1.01 1 78 PHE -5.31 -2.61 1 79 LEU -2.98 -1.74 1 80 ARG 3.07 1.07 1 81 ASP -3.20 -2.36 1 83 ARG 1.52 0.44 1 84 GLU -1.31 -1.28 1 85 VAL -2.23 -0.97 1 86 ALA -2.89 -0.78 1 87 ARG -4.79 -1.76 1 88 VAL -2.97 -2.07 1 89 VAL 4.50 3.44 1 90 ARG -3.35 -2.28 1 93 SER 4.31 2.33 1 94 ALA 4.79 2.70 1 95 SER 4.14 2.35 1 96 VAL 1.45 1.78 1 97 LEU 4.21 3.29 1 98 GLU 2.94 2.10 1 99 GLU 3.13 1.54 1 100 ALA 7.47 4.99 1 101 PHE 3.33 2.15 1 102 GLU 4.08 2.54 1 103 SER 2.91 2.10 1 104 LEU 1.06 -0.02 1 105 VAL 0.18 -0.35 1 107 GLU -0.30 0.48 1 109 HIS 0.92 1.63 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18130_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.87 _LACS_plot.Line_1_terminator_val_y_1 4.74 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.28 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.76 _LACS_plot.Line_2_terminator_val_x_2 9.80 _LACS_plot.Line_2_terminator_val_y_2 -3.91 _LACS_plot.Y_axis_chem_shift_offset 0.15 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 53 HIS -9.87 7.23 0 11 ALA -2.01 0.07 1 12 ARG 5.43 -2.87 1 13 ASP 3.35 -1.61 1 14 GLU 2.15 -0.76 1 15 LEU 3.25 -1.17 1 16 ASP 2.25 -0.98 1 17 ARG -1.30 -0.50 1 18 LEU 0.36 -0.62 1 19 ALA -0.92 0.40 1 22 THR -1.41 1.87 1 23 LEU -2.81 0.33 1 24 VAL 0.27 -1.79 1 25 GLU -6.65 2.45 1 26 PHE -4.50 2.74 1 28 THR -5.67 2.42 1 29 ASP 1.83 0.05 1 30 TRP -2.21 -0.94 1 33 HIS 3.25 1.32 1 35 GLN 5.08 -2.08 1 36 ALA 3.05 -1.51 1 37 ALA 0.24 -0.12 1 38 GLN 9.80 -4.01 1 40 LEU 2.56 -1.01 1 41 LEU 2.87 -0.93 1 42 ALA 3.60 -1.43 1 43 GLU 2.88 -1.00 1 44 VAL 2.88 -0.84 1 45 PHE 3.47 -2.40 1 46 SER 3.80 -1.30 1 47 ASP -0.20 0.00 1 48 TYR -1.05 1.11 1 50 GLU 2.11 -1.83 1 51 VAL 2.01 -1.24 1 54 LEU -3.18 1.44 1 55 LYS -3.09 1.25 1 56 VAL -0.82 0.14 1 57 GLU -1.85 -0.47 1 58 ASP -4.01 1.16 1 62 ARG 4.11 -1.95 1 63 ARG 5.28 -2.04 1 64 LEU 4.04 -0.71 1 66 ARG 4.08 -1.54 1 67 SER 0.17 0.52 1 68 PHE 5.00 -4.45 1 69 GLN 4.86 -2.82 1 70 VAL -1.91 1.33 1 71 LYS -5.51 3.18 1 72 LEU -5.31 1.04 1 73 TRP 0.02 1.39 1 75 THR -1.17 -0.19 1 76 PHE 0.11 -0.29 1 77 VAL 0.84 -1.85 1 78 PHE -5.31 2.70 1 79 LEU -2.98 1.24 1 80 ARG 3.07 -2.00 1 81 ASP -3.20 0.84 1 83 ARG 1.52 -1.08 1 84 GLU -1.31 0.03 1 85 VAL -2.23 1.26 1 86 ALA -2.89 2.11 1 87 ARG -4.79 3.03 1 88 VAL -2.97 0.90 1 89 VAL 4.50 -1.06 1 90 ARG -3.35 1.07 1 93 SER 4.31 -1.98 1 94 ALA 4.79 -2.09 1 95 SER 4.14 -1.79 1 96 VAL 1.45 0.33 1 97 LEU 4.21 -0.92 1 98 GLU 2.94 -0.84 1 99 GLU 3.13 -1.59 1 100 ALA 7.47 -2.48 1 101 PHE 3.33 -1.18 1 102 GLU 4.08 -1.54 1 103 SER 2.91 -0.81 1 104 LEU 1.06 -1.08 1 105 VAL 0.18 -0.53 1 107 GLU -0.30 0.78 1 109 HIS 0.92 0.71 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18130_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -9.87 _LACS_plot.Line_1_terminator_val_y_1 0.98 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.12 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.24 _LACS_plot.Line_2_terminator_val_x_2 9.80 _LACS_plot.Line_2_terminator_val_y_2 -0.81 _LACS_plot.Y_axis_chem_shift_offset -0.06 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 28 THR -5.67 -0.98 0 11 ALA -2.01 0.23 1 12 ARG 5.43 -0.46 1 13 ASP 3.35 -0.27 1 14 GLU 2.15 -0.29 1 15 LEU 3.25 -0.26 1 16 ASP 2.25 -0.03 1 17 ARG -1.30 0.17 1 18 LEU 0.36 -0.07 1 19 ALA -0.92 0.18 1 22 THR -1.41 0.17 1 23 LEU -2.81 0.22 1 24 VAL 0.27 0.39 1 25 GLU -6.65 0.47 1 26 PHE -4.50 0.71 1 29 ASP 1.83 -0.30 1 30 TRP -2.21 -0.07 1 33 HIS 3.25 -0.21 1 35 GLN 5.08 -0.17 1 36 ALA 3.05 -0.08 1 37 ALA 0.24 0.18 1 38 GLN 9.80 -0.50 1 40 LEU 2.56 -0.14 1 41 LEU 2.87 -0.43 1 42 ALA 3.60 -0.13 1 43 GLU 2.88 -0.29 1 44 VAL 2.88 -0.15 1 45 PHE 3.47 -0.70 1 46 SER 3.80 -0.39 1 47 ASP -0.20 0.04 1 48 TYR -1.05 0.27 1 50 GLU 2.11 0.06 1 51 VAL 2.01 -0.07 1 53 HIS -9.87 1.35 1 54 LEU -3.18 0.05 1 55 LYS -3.09 0.08 1 56 VAL -0.82 -0.06 1 57 GLU -1.85 0.15 1 58 ASP -4.01 0.62 1 64 LEU 5.28 -0.01 1 66 ARG 4.04 -0.26 1 67 SER 4.08 -0.19 1 68 PHE 0.17 0.21 1 69 GLN 5.00 -0.37 1 70 VAL 4.86 -0.58 1 71 LYS -1.91 0.08 1 72 LEU -5.51 -0.26 1 73 TRP -5.31 0.30 1 75 THR 0.02 0.72 1 76 PHE -1.17 0.29 1 77 VAL 0.11 0.28 1 78 PHE 0.84 -0.07 1 79 LEU -5.31 0.86 1 80 ARG -2.98 0.38 1 81 ASP 3.07 0.08 1 83 ARG -3.20 0.37 1 84 GLU 1.52 0.20 1 85 VAL -1.31 0.42 1 86 ALA -2.23 0.36 1 87 ARG -2.89 1.35 1 88 VAL -4.79 0.46 1 89 VAL -2.97 0.80 1 90 ARG 4.50 -0.57 1 93 SER -3.35 0.20 1 94 ALA 4.31 -0.33 1 95 SER 4.79 -0.19 1 96 VAL 4.14 -0.08 1 97 LEU 1.45 -0.20 1 98 GLU 4.21 -0.54 1 99 GLU 2.94 -0.42 1 100 ALA 3.13 -0.73 1 101 PHE 7.47 -1.16 1 102 GLU 3.33 -0.41 1 103 SER 4.08 -0.31 1 104 LEU 2.91 -0.19 1 105 VAL 1.06 0.18 1 107 GLU 0.18 -0.05 1 109 HIS -0.30 -0.15 1 110 HIS 0.92 -0.27 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18130_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -9.87 _LACS_plot.Line_1_terminator_val_y_1 -4.76 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.04 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.64 _LACS_plot.Line_2_terminator_val_x_2 9.80 _LACS_plot.Line_2_terminator_val_y_2 3.08 _LACS_plot.Y_axis_chem_shift_offset 0.80 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 53 HIS -9.87 -0.56 0 11 ALA -2.01 1.37 1 12 ARG 5.43 0.36 1 13 ASP 3.35 1.21 1 14 GLU 2.15 2.73 1 15 LEU 3.25 0.25 1 16 ASP 2.25 0.23 1 17 ARG -1.30 -0.75 1 18 LEU 0.36 -1.93 1 19 ALA -0.92 0.42 1 22 THR -1.41 -4.50 1 23 LEU -2.81 -4.20 1 24 VAL 0.27 -4.00 1 25 GLU -6.65 -3.64 1 26 PHE -4.50 -0.67 1 28 THR -5.67 -2.31 1 29 ASP 1.83 0.29 1 30 TRP -2.21 -0.91 1 33 HIS 3.25 5.78 1 35 GLN 5.08 3.70 1 36 ALA 3.05 0.60 1 37 ALA 0.24 0.64 1 38 GLN 9.80 0.45 1 40 LEU 2.56 -0.38 1 41 LEU 2.87 0.42 1 42 ALA 3.60 2.10 1 43 GLU 2.88 1.34 1 44 VAL 2.88 1.43 1 45 PHE 3.47 3.42 1 46 SER 3.80 -0.19 1 47 ASP -0.20 -1.91 1 48 TYR -1.05 -2.02 1 50 GLU 2.11 -0.76 1 51 VAL 2.01 -1.02 1 54 LEU -3.18 -5.17 1 55 LYS -3.09 -2.45 1 56 VAL -0.82 -2.56 1 57 GLU -1.85 -2.30 1 58 ASP -4.01 -3.60 1 62 ARG 4.11 0.65 1 63 ARG 5.28 2.92 1 64 LEU 4.04 4.78 1 66 ARG 4.08 0.10 1 67 SER 0.17 -2.00 1 68 PHE 5.00 -1.50 1 69 GLN 4.86 0.04 1 70 VAL -1.91 -2.30 1 71 LYS -5.51 -3.35 1 72 LEU -5.31 -1.14 1 73 TRP 0.02 -3.57 1 75 THR -1.17 -2.81 1 76 PHE 0.11 -3.53 1 77 VAL 0.84 -2.28 1 78 PHE -5.31 -2.87 1 79 LEU -2.98 -0.49 1 80 ARG 3.07 -0.37 1 81 ASP -3.20 -0.99 1 83 ARG 1.52 0.03 1 84 GLU -1.31 -1.44 1 85 VAL -2.23 -3.43 1 86 ALA -2.89 -2.05 1 87 ARG -4.79 -2.90 1 88 VAL -2.97 -0.78 1 89 VAL 4.50 -2.39 1 90 ARG -3.35 -1.47 1 93 SER 4.31 1.78 1 94 ALA 4.79 1.40 1 95 SER 4.14 2.30 1 96 VAL 1.45 -0.21 1 97 LEU 4.21 0.52 1 98 GLU 2.94 1.39 1 99 GLU 3.13 0.58 1 100 ALA 7.47 2.30 1 101 PHE 3.33 2.83 1 102 GLU 4.08 0.55 1 103 SER 2.91 -0.08 1 104 LEU 1.06 0.40 1 105 VAL 0.18 0.23 1 107 GLU -0.30 -0.51 1 109 HIS 0.92 4.87 1 stop_ save_