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 bmr27895_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.81 _LACS_plot.Line_1_terminator_val_y_1 -3.53 _LACS_plot.Line_1_terminator_val_x_2 2.00 _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 -1.45 _LACS_plot.Line_2_terminator_val_x_2 6.91 _LACS_plot.Line_2_terminator_val_y_2 4.20 _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 62 ARG 2.83 -1.19 0 100 LYS 6.91 5.25 0 10 MET -5.53 -0.40 1 11 ASP 4.47 1.03 1 12 ARG -3.55 -0.56 1 13 THR -0.24 -1.58 1 14 ALA -6.91 -2.74 1 17 VAL 2.48 2.63 1 18 THR 3.33 2.20 1 21 GLU -2.55 -1.14 1 22 GLU -1.73 0.32 1 23 ILE -1.98 -0.87 1 24 TYR -1.83 -1.51 1 25 LEU -4.86 -0.97 1 26 LEU 1.68 -1.17 1 28 ASP 0.10 0.76 1 29 LYS 2.71 2.50 1 30 VAL -6.33 -3.31 1 31 GLN -1.78 -1.41 1 32 LYS 4.34 3.65 1 33 ASP -0.17 -0.51 1 34 ASP -2.23 -1.53 1 35 ILE -7.81 -4.00 1 36 GLN -5.67 -1.72 1 37 ILE -1.28 -0.29 1 38 ARG -3.84 -0.93 1 39 PHE -3.69 -2.18 1 40 TYR -2.93 -1.03 1 41 GLU -6.85 -1.53 1 42 GLU -0.30 0.14 1 43 GLU -2.29 -0.84 1 44 GLU 2.18 2.00 1 45 ASN 1.43 0.39 1 48 VAL -3.47 -0.95 1 49 TRP 0.49 0.62 1 50 GLU -6.80 -3.34 1 52 PHE -2.61 -0.79 1 54 ASP -2.00 0.15 1 55 PHE -1.05 -0.66 1 56 SER -1.22 -0.37 1 58 THR 3.05 1.69 1 59 ASP 0.39 1.93 1 60 VAL 2.45 -0.22 1 61 HIS -3.00 0.68 1 63 GLN 3.46 3.37 1 64 PHE -1.58 1.66 1 65 ALA -5.26 -0.84 1 66 ILE -3.21 0.73 1 67 VAL -0.21 -0.86 1 68 PHE -7.56 -3.00 1 69 LYS -5.23 -2.50 1 70 THR 1.28 -0.16 1 72 LYS 0.63 0.51 1 73 TYR -0.46 -1.31 1 74 LYS 1.93 0.86 1 75 ASP -3.26 -1.97 1 76 VAL 1.89 -0.37 1 77 ASN -0.01 -0.05 1 78 ILE 1.56 1.64 1 79 THR -0.36 -0.48 1 80 LYS -1.74 -0.96 1 82 ALA -3.94 -1.86 1 83 SER 0.13 -0.08 1 84 VAL -4.49 -3.50 1 85 PHE -4.91 -1.06 1 86 VAL -4.80 -3.20 1 87 GLN -4.82 -2.26 1 88 LEU -3.69 -1.59 1 89 ARG -5.87 -1.05 1 90 ARG -1.41 0.16 1 91 LYS 4.12 3.39 1 92 SER 4.63 2.17 1 93 ASP -2.41 -1.99 1 94 LEU 5.07 1.14 1 95 GLU 0.87 1.00 1 96 THR -5.71 -2.68 1 97 SER -4.16 -0.90 1 98 GLU 1.01 1.47 1 102 PHE -4.29 -0.64 1 103 LEU -4.65 -1.77 1 104 TYR -3.00 -1.10 1 105 TYR -3.06 -2.40 1 107 GLU -8.81 -4.82 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27895_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.81 _LACS_plot.Line_1_terminator_val_y_1 5.28 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.03 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.55 _LACS_plot.Line_2_terminator_val_x_2 6.91 _LACS_plot.Line_2_terminator_val_y_2 -2.71 _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 62 ARG 2.83 -4.02 0 100 LYS 6.91 -1.66 0 10 MET -5.53 5.13 1 11 ASP 4.47 -3.44 1 12 ARG -3.55 2.99 1 13 THR -0.24 -1.34 1 14 ALA -6.91 4.17 1 17 VAL 2.48 0.15 1 18 THR 3.33 -1.13 1 21 GLU -2.55 1.41 1 22 GLU -1.73 2.05 1 23 ILE -1.98 1.11 1 24 TYR -1.83 0.32 1 25 LEU -4.86 3.89 1 26 LEU 1.68 -2.85 1 28 ASP 0.10 0.66 1 29 LYS 2.71 -0.21 1 30 VAL -6.33 3.02 1 31 GLN -1.78 0.37 1 32 LYS 4.34 -0.69 1 33 ASP -0.17 -0.34 1 34 ASP -2.23 0.70 1 35 ILE -7.81 3.81 1 36 GLN -5.67 3.95 1 37 ILE -1.28 0.99 1 38 ARG -3.84 2.91 1 39 PHE -3.69 1.51 1 40 TYR -2.93 1.90 1 41 GLU -6.85 5.32 1 42 GLU -0.30 0.44 1 43 GLU -2.29 1.45 1 44 GLU 2.18 -0.18 1 45 ASN 1.43 -1.04 1 48 VAL -3.47 2.52 1 49 TRP 0.49 0.13 1 50 GLU -6.80 3.46 1 52 PHE -2.61 1.82 1 54 ASP -2.00 2.15 1 55 PHE -1.05 0.39 1 56 SER -1.22 0.85 1 58 THR 3.05 -1.36 1 59 ASP 0.39 1.54 1 60 VAL 2.45 -2.67 1 61 HIS -3.00 3.68 1 63 GLN 3.46 -0.09 1 64 PHE -1.58 3.24 1 65 ALA -5.26 4.42 1 66 ILE -3.21 3.94 1 67 VAL -0.21 -0.65 1 68 PHE -7.56 4.56 1 69 LYS -5.23 2.73 1 70 THR 1.28 -1.44 1 72 LYS 0.63 -0.12 1 73 TYR -0.46 -0.85 1 74 LYS 1.93 -1.07 1 75 ASP -3.26 1.29 1 76 VAL 1.89 -2.26 1 77 ASN -0.01 -0.04 1 78 ILE 1.56 0.08 1 79 THR -0.36 -0.12 1 80 LYS -1.74 0.78 1 82 ALA -3.94 2.08 1 83 SER 0.13 -0.21 1 84 VAL -4.49 0.99 1 85 PHE -4.91 3.85 1 86 VAL -4.80 1.60 1 87 GLN -4.82 2.56 1 88 LEU -3.69 2.10 1 89 ARG -5.87 4.82 1 90 ARG -1.41 1.57 1 91 LYS 4.12 -0.73 1 92 SER 4.63 -2.46 1 93 ASP -2.41 0.42 1 94 LEU 5.07 -3.93 1 95 GLU 0.87 0.13 1 96 THR -5.71 3.03 1 97 SER -4.16 3.26 1 98 GLU 1.01 0.46 1 102 PHE -4.29 3.65 1 103 LEU -4.65 2.88 1 104 TYR -3.00 1.90 1 105 TYR -3.06 0.66 1 107 GLU -8.81 3.99 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27895_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.81 _LACS_plot.Line_1_terminator_val_y_1 0.92 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.11 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.32 _LACS_plot.Line_2_terminator_val_x_2 6.91 _LACS_plot.Line_2_terminator_val_y_2 -0.69 _LACS_plot.Y_axis_chem_shift_offset -0.08 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 68 PHE -7.56 -1.15 0 10 MET -5.53 0.94 1 11 ASP 4.47 -0.84 1 12 ARG -3.55 0.34 1 13 THR -0.24 0.20 1 14 ALA -6.91 -0.13 1 17 VAL 2.48 -0.18 1 18 THR 3.33 -0.44 1 21 GLU -2.55 0.09 1 22 GLU -1.73 0.10 1 23 ILE -1.98 0.20 1 24 TYR -1.83 0.30 1 25 LEU -4.86 0.69 1 28 ASP 0.10 0.69 1 29 LYS 2.71 -0.67 1 30 VAL -6.33 0.36 1 31 GLN -1.78 0.25 1 32 LYS 4.34 -0.32 1 33 ASP -0.17 0.15 1 34 ASP -2.23 0.52 1 35 ILE -7.81 1.02 1 36 GLN -5.67 0.49 1 37 ILE -1.28 0.13 1 38 ARG -3.84 0.16 1 39 PHE -3.69 -0.22 1 40 TYR -2.93 1.16 1 41 GLU -6.85 0.57 1 42 GLU -0.30 0.40 1 43 GLU -2.29 0.20 1 44 GLU 2.18 -0.21 1 45 ASN 1.43 -0.10 1 48 VAL -3.47 0.84 1 49 TRP 0.49 -0.01 1 50 GLU -6.80 0.29 1 52 PHE -2.61 1.10 1 54 ASP -2.00 0.41 1 55 PHE -1.05 0.40 1 56 SER -1.22 0.29 1 58 THR 3.05 -0.18 1 59 ASP 0.39 0.43 1 60 VAL 2.45 0.37 1 64 PHE -1.58 0.68 1 65 ALA -5.26 1.23 1 66 ILE -3.21 0.35 1 67 VAL -0.21 0.70 1 69 LYS -5.23 1.04 1 70 THR 1.28 0.69 1 72 LYS 0.63 -0.44 1 73 TYR -0.46 -0.68 1 74 LYS 1.93 -0.88 1 76 VAL 1.89 -0.01 1 77 ASN -0.01 0.19 1 78 ILE 1.56 0.08 1 79 THR -0.36 0.10 1 80 LYS -1.74 0.18 1 82 ALA -3.94 0.27 1 83 SER 0.13 0.32 1 84 VAL -4.49 0.67 1 85 PHE -4.91 0.69 1 86 VAL -4.80 0.83 1 87 GLN -4.82 0.30 1 89 ARG -5.87 0.90 1 90 ARG -1.41 0.29 1 91 LYS 4.12 -0.55 1 92 SER 4.63 -0.60 1 93 ASP -2.41 0.03 1 94 LEU 5.07 -0.25 1 95 GLU 0.87 -0.19 1 96 THR -5.71 1.09 1 97 SER -4.16 0.01 1 100 LYS 6.91 -0.66 1 102 PHE -4.29 -0.16 1 103 LEU -4.65 0.27 1 104 TYR -3.00 -0.70 1 105 TYR -3.06 0.14 1 107 GLU -8.81 0.74 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27895_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.81 _LACS_plot.Line_1_terminator_val_y_1 -1.50 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.19 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.46 _LACS_plot.Line_2_terminator_val_x_2 5.07 _LACS_plot.Line_2_terminator_val_y_2 0.60 _LACS_plot.Y_axis_chem_shift_offset 0.16 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 69 LYS -5.23 2.48 0 96 THR -5.71 2.71 0 10 MET -5.53 -0.91 1 11 ASP 4.47 -0.72 1 12 ARG -3.55 -0.89 1 13 THR -0.24 -1.97 1 14 ALA -6.91 -0.98 1 17 VAL 2.48 -0.84 1 18 THR 3.33 1.86 1 21 GLU -2.55 -0.44 1 22 GLU -1.73 -0.08 1 23 ILE -1.98 -2.35 1 24 TYR -1.83 -2.13 1 25 LEU -4.86 -2.45 1 26 LEU 1.68 -1.48 1 28 ASP 0.10 -0.42 1 29 LYS 2.71 1.87 1 30 VAL -6.33 1.16 1 31 GLN -1.78 3.06 1 32 LYS 4.34 -1.07 1 33 ASP -0.17 -1.58 1 34 ASP -2.23 -0.67 1 35 ILE -7.81 -3.74 1 36 GLN -5.67 -1.32 1 37 ILE -1.28 -2.16 1 38 ARG -3.84 -1.81 1 39 PHE -3.69 0.15 1 40 TYR -2.93 -2.25 1 41 GLU -6.85 -0.40 1 42 GLU -0.30 0.39 1 43 GLU -2.29 1.87 1 44 GLU 2.18 1.37 1 45 ASN 1.43 1.41 1 48 VAL -3.47 0.43 1 49 TRP 0.49 -1.02 1 50 GLU -6.80 -2.46 1 52 PHE -2.61 1.81 1 54 ASP -2.00 -0.10 1 55 PHE -1.05 -1.94 1 58 THR 3.05 1.39 1 59 ASP 0.39 0.36 1 60 VAL 2.45 -0.54 1 61 HIS -3.00 -0.64 1 62 ARG 2.83 -1.39 1 63 GLN 3.46 -1.09 1 64 PHE -1.58 -0.10 1 65 ALA -5.26 -1.50 1 66 ILE -3.21 -1.42 1 67 VAL -0.21 -0.49 1 68 PHE -7.56 -3.07 1 72 LYS 0.63 0.65 1 73 TYR -0.46 -1.96 1 75 ASP -3.26 -0.14 1 76 VAL 1.89 0.64 1 77 ASN -0.01 0.90 1 78 ILE 1.56 0.21 1 79 THR -0.36 0.26 1 82 ALA -3.94 -1.66 1 83 SER 0.13 0.50 1 84 VAL -4.49 -1.81 1 85 PHE -4.91 -1.24 1 86 VAL -4.80 -1.64 1 87 GLN -4.82 0.45 1 88 LEU -3.69 -2.70 1 89 ARG -5.87 -1.27 1 90 ARG -1.41 1.26 1 91 LYS 4.12 3.06 1 92 SER 4.63 2.96 1 93 ASP -2.41 0.81 1 94 LEU 5.07 -0.87 1 95 GLU 0.87 0.22 1 97 SER -4.16 0.81 1 102 PHE -4.29 -2.78 1 103 LEU -4.65 -2.59 1 104 TYR -3.00 1.20 1 stop_ save_