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 bmr27690_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.15 _LACS_plot.Line_1_terminator_val_y_1 -2.67 _LACS_plot.Line_1_terminator_val_x_2 2.00 _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 -1.44 _LACS_plot.Line_2_terminator_val_x_2 8.03 _LACS_plot.Line_2_terminator_val_y_2 6.34 _LACS_plot.Y_axis_chem_shift_offset -0.14 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 43 HIS -5.79 -0.26 0 58 SER 8.03 3.49 0 10 ILE -0.09 0.11 1 11 ASP -0.32 0.07 1 12 PHE 0.96 0.86 1 14 GLU -3.78 -1.28 1 16 GLN -0.15 -0.08 1 19 GLU -0.11 -0.25 1 20 TYR -6.18 -4.10 1 21 LEU 0.72 0.53 1 22 ASP -4.02 -0.45 1 23 ILE -2.22 -0.10 1 24 THR -2.47 -0.28 1 25 ASP 1.76 1.94 1 26 ILE 2.77 2.62 1 27 THR -2.70 -0.37 1 28 GLU -0.99 -0.29 1 30 ASP -2.37 -1.08 1 33 GLU -3.68 -1.76 1 34 ALA -0.78 -0.86 1 35 VAL -6.33 -3.48 1 36 LYS 4.63 3.23 1 38 SER 0.87 1.42 1 39 ASN 0.83 0.03 1 40 VAL -4.26 -2.62 1 41 SER -2.48 -1.28 1 42 MET -4.27 -2.18 1 44 TYR -4.92 -0.54 1 45 VAL -2.47 0.68 1 47 VAL -6.81 -2.16 1 48 SER 0.25 0.97 1 49 TRP 5.01 4.49 1 51 THR -2.39 -1.03 1 53 GLU -2.31 -0.86 1 54 GLU -1.08 -0.50 1 55 PHE -1.86 -1.25 1 56 ASP -2.49 0.51 1 57 ALA -3.44 -0.27 1 59 TRP 0.06 0.70 1 60 ASN 3.31 2.27 1 61 ARG -0.59 0.41 1 63 SER -3.53 -1.74 1 64 THR -0.21 -0.36 1 65 LEU -2.10 -0.25 1 66 ASP -2.46 -1.98 1 67 PHE -1.83 -1.27 1 68 THR 1.43 0.35 1 69 LEU 1.16 1.53 1 71 THR -1.62 -0.89 1 73 ARG 0.69 0.40 1 74 VAL -6.55 -4.09 1 75 ILE 1.30 0.73 1 76 LYS 3.85 3.71 1 78 TRP 3.02 2.72 1 79 ASP 3.89 3.52 1 80 MET -0.59 2.24 1 82 ILE 2.62 1.79 1 83 ALA 2.63 1.08 1 85 MET 0.15 2.79 1 86 LYS -3.83 -1.90 1 87 VAL 5.43 4.38 1 90 ARG -4.23 -0.86 1 91 ARG -6.44 -0.95 1 92 LYS -3.58 -1.46 1 93 LEU -5.76 -1.98 1 94 VAL 1.14 0.69 1 95 ILE -1.08 0.50 1 98 HIS 3.81 3.79 1 99 LEU -2.14 -1.72 1 100 ALA -1.09 -1.33 1 101 TYR 1.05 1.05 1 103 ASP 0.67 0.26 1 104 ARG -1.86 -1.15 1 105 SER -2.89 -2.31 1 107 SER -2.48 -1.05 1 109 ALA -0.56 0.29 1 110 ILE -2.00 -0.74 1 111 LYS 2.66 1.20 1 114 GLU -3.05 -0.65 1 115 THR 1.47 1.55 1 116 LEU -4.28 -1.91 1 117 ILE -2.76 -0.74 1 118 PHE -7.15 -2.02 1 119 VAL 0.38 0.33 1 120 VAL -4.58 -2.91 1 121 ASP -4.82 -0.65 1 122 LEU 0.81 -0.36 1 123 VAL 1.38 0.88 1 125 VAL -4.00 -0.79 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27690_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.15 _LACS_plot.Line_1_terminator_val_y_1 4.48 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.05 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.56 _LACS_plot.Line_2_terminator_val_x_2 8.03 _LACS_plot.Line_2_terminator_val_y_2 -1.69 _LACS_plot.Y_axis_chem_shift_offset -0.14 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 43 HIS -5.79 5.53 0 58 SER 8.03 -4.54 0 10 ILE -0.09 0.20 1 11 ASP -0.32 0.39 1 12 PHE 0.96 -0.10 1 14 GLU -3.78 2.50 1 16 GLN -0.15 0.07 1 19 GLU -0.11 -0.14 1 20 TYR -6.18 2.08 1 21 LEU 0.72 -0.19 1 22 ASP -4.02 3.57 1 23 ILE -2.22 2.12 1 24 THR -2.47 2.19 1 25 ASP 1.76 0.18 1 26 ILE 2.77 -0.15 1 27 THR -2.70 2.33 1 28 GLU -0.99 0.70 1 30 ASP -2.37 1.29 1 33 GLU -3.68 1.92 1 34 ALA -0.78 -0.08 1 35 VAL -6.33 2.85 1 36 LYS 4.63 -1.40 1 38 SER 0.87 0.55 1 39 ASN 0.83 -0.80 1 40 VAL -4.26 1.64 1 41 SER -2.48 1.20 1 42 MET -4.27 2.09 1 44 TYR -4.92 4.38 1 45 VAL -2.47 3.15 1 47 VAL -6.81 4.65 1 48 SER 0.25 0.72 1 49 TRP 5.01 -0.52 1 51 THR -2.39 1.36 1 53 GLU -2.31 1.45 1 54 GLU -1.08 0.58 1 55 PHE -1.86 0.61 1 56 ASP -2.49 3.00 1 57 ALA -3.44 3.17 1 59 TRP 0.06 0.64 1 60 ASN 3.31 -1.04 1 61 ARG -0.59 1.00 1 63 SER -3.53 1.79 1 64 THR -0.21 -0.15 1 65 LEU -2.10 1.85 1 66 ASP -2.46 0.48 1 67 PHE -1.83 0.56 1 68 THR 1.43 -1.08 1 69 LEU 1.16 0.37 1 71 THR -1.62 0.73 1 73 ARG 0.69 -0.29 1 74 VAL -6.55 2.46 1 75 ILE 1.30 -0.57 1 76 LYS 3.85 -0.14 1 78 TRP 3.02 -0.30 1 79 ASP 3.89 -0.37 1 80 MET -0.59 2.83 1 82 ILE 2.62 -0.83 1 83 ALA 2.63 -1.55 1 85 MET 0.15 2.64 1 86 LYS -3.83 1.93 1 87 VAL 5.43 -1.05 1 90 ARG -4.23 3.37 1 91 ARG -6.44 5.49 1 92 LYS -3.58 2.12 1 93 LEU -5.76 3.78 1 94 VAL 1.14 -0.45 1 95 ILE -1.08 1.58 1 98 HIS 3.81 -0.02 1 99 LEU -2.14 0.42 1 100 ALA -1.09 -0.24 1 101 TYR 1.05 0.00 1 103 ASP 0.67 -0.41 1 104 ARG -1.86 0.71 1 105 SER -2.89 0.58 1 107 SER -2.48 1.43 1 109 ALA -0.56 0.85 1 110 ILE -2.00 1.26 1 111 LYS 2.66 -1.46 1 114 GLU -3.05 2.40 1 115 THR 1.47 0.08 1 116 LEU -4.28 2.37 1 117 ILE -2.76 2.02 1 118 PHE -7.15 5.13 1 119 VAL 0.38 -0.05 1 120 VAL -4.58 1.67 1 121 ASP -4.82 4.17 1 122 LEU 0.81 -1.17 1 123 VAL 1.38 -0.50 1 125 VAL -4.00 3.21 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27690_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.15 _LACS_plot.Line_1_terminator_val_y_1 1.01 _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 0.41 _LACS_plot.Line_2_terminator_val_x_2 8.03 _LACS_plot.Line_2_terminator_val_y_2 -0.88 _LACS_plot.Y_axis_chem_shift_offset -0.14 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 58 SER 8.03 0.23 0 10 ILE -0.09 -0.17 1 11 ASP -0.32 -0.17 1 12 PHE 0.96 -0.46 1 14 GLU -3.78 0.17 1 16 GLN -0.15 0.09 1 19 GLU -0.11 -0.14 1 20 TYR -6.18 0.32 1 21 LEU 0.72 0.28 1 22 ASP -4.02 0.65 1 23 ILE -2.22 0.74 1 24 THR -2.47 0.35 1 25 ASP 1.76 0.56 1 26 ILE 2.77 -0.13 1 27 THR -2.70 0.26 1 28 GLU -0.99 0.16 1 30 ASP -2.37 0.25 1 33 GLU -3.68 0.33 1 34 ALA -0.78 -0.03 1 35 VAL -6.33 0.54 1 36 LYS 4.63 -0.58 1 38 SER 0.87 0.03 1 39 ASN 0.83 0.23 1 40 VAL -4.26 0.74 1 41 SER -2.48 0.78 1 42 MET -4.27 1.28 1 43 HIS -5.79 0.73 1 44 TYR -4.92 1.67 1 45 VAL -2.47 0.37 1 47 VAL -6.81 0.72 1 48 SER 0.25 0.29 1 49 TRP 5.01 -0.96 1 51 THR -2.39 0.37 1 53 GLU -2.31 0.07 1 54 GLU -1.08 0.54 1 55 PHE -1.86 0.35 1 56 ASP -2.49 0.25 1 57 ALA -3.44 0.32 1 59 TRP 0.06 -0.86 1 60 ASN 3.31 -0.06 1 61 ARG -0.59 0.31 1 63 SER -3.53 0.39 1 64 THR -0.21 -0.43 1 65 LEU -2.10 0.45 1 66 ASP -2.46 1.46 1 67 PHE -1.83 0.33 1 68 THR 1.43 0.45 1 69 LEU 1.16 -0.06 1 71 THR -1.62 0.30 1 73 ARG 0.69 -0.11 1 74 VAL -6.55 0.12 1 75 ILE 1.30 -0.26 1 76 LYS 3.85 -0.05 1 78 TRP 3.02 -0.28 1 79 ASP 3.89 0.23 1 80 MET -0.59 -0.20 1 82 ILE 2.62 -0.40 1 83 ALA 2.63 -0.49 1 85 MET 0.15 -0.35 1 86 LYS -3.83 0.71 1 87 VAL 5.43 -0.79 1 90 ARG -4.23 1.44 1 91 ARG -6.44 0.98 1 92 LYS -3.58 1.29 1 93 LEU -5.76 1.06 1 94 VAL 1.14 0.94 1 95 ILE -1.08 0.18 1 98 HIS 3.81 -0.15 1 99 LEU -2.14 0.19 1 100 ALA -1.09 0.05 1 101 TYR 1.05 0.08 1 103 ASP 0.67 0.05 1 104 ARG -1.86 0.24 1 105 SER -2.89 0.01 1 107 SER -2.48 0.14 1 109 ALA -0.56 0.00 1 110 ILE -2.00 0.02 1 111 LYS 2.66 -0.08 1 114 GLU -3.05 0.08 1 115 THR 1.47 0.44 1 116 LEU -4.28 1.05 1 117 ILE -2.76 1.20 1 118 PHE -7.15 1.84 1 119 VAL 0.38 0.90 1 120 VAL -4.58 1.34 1 121 ASP -4.82 1.24 1 122 LEU 0.81 0.57 1 123 VAL 1.38 0.22 1 125 VAL -4.00 0.65 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27690_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.15 _LACS_plot.Line_1_terminator_val_y_1 -1.73 _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 -0.87 _LACS_plot.Line_2_terminator_val_x_2 8.03 _LACS_plot.Line_2_terminator_val_y_2 1.45 _LACS_plot.Y_axis_chem_shift_offset 0.44 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 58 SER 8.03 4.08 0 10 ILE -0.09 -1.08 1 11 ASP -0.32 -1.27 1 12 PHE 0.96 0.12 1 14 GLU -3.78 -0.14 1 16 GLN -0.15 -0.09 1 19 GLU -0.11 -2.39 1 20 TYR -6.18 -3.25 1 21 LEU 0.72 -2.80 1 22 ASP -4.02 -0.88 1 23 ILE -2.22 -0.54 1 24 THR -2.47 -0.79 1 25 ASP 1.76 -1.41 1 26 ILE 2.77 0.35 1 27 THR -2.70 -0.63 1 28 GLU -0.99 0.26 1 30 ASP -2.37 0.58 1 33 GLU -3.68 -0.65 1 34 ALA -0.78 -2.00 1 35 VAL -6.33 -0.80 1 36 LYS 4.63 0.74 1 38 SER 0.87 -1.61 1 39 ASN 0.83 -0.26 1 40 VAL -4.26 -1.71 1 41 SER -2.48 -0.53 1 42 MET -4.27 -0.33 1 43 HIS -5.79 2.25 1 44 TYR -4.92 -2.03 1 45 VAL -2.47 -1.90 1 47 VAL -6.81 -0.39 1 48 SER 0.25 0.05 1 49 TRP 5.01 1.17 1 51 THR -2.39 1.32 1 53 GLU -2.31 0.21 1 54 GLU -1.08 0.29 1 55 PHE -1.86 -0.53 1 56 ASP -2.49 -3.10 1 57 ALA -3.44 -0.07 1 59 TRP 0.06 1.17 1 60 ASN 3.31 1.11 1 61 ARG -0.59 1.07 1 63 SER -3.53 -1.05 1 64 THR -0.21 -0.29 1 65 LEU -2.10 -2.96 1 66 ASP -2.46 -0.54 1 67 PHE -1.83 -3.23 1 68 THR 1.43 0.10 1 69 LEU 1.16 -0.18 1 71 THR -1.62 0.74 1 73 ARG 0.69 -0.87 1 74 VAL -6.55 -1.19 1 75 ILE 1.30 0.80 1 76 LYS 3.85 3.14 1 78 TRP 3.02 0.76 1 79 ASP 3.89 2.58 1 80 MET -0.59 2.33 1 82 ILE 2.62 -1.42 1 83 ALA 2.63 0.40 1 85 MET 0.15 -3.10 1 86 LYS -3.83 1.22 1 87 VAL 5.43 -0.05 1 90 ARG -4.23 -1.41 1 91 ARG -6.44 -3.49 1 92 LYS -3.58 -1.85 1 93 LEU -5.76 -2.20 1 94 VAL 1.14 -1.06 1 95 ILE -1.08 -2.51 1 98 HIS 3.81 2.06 1 99 LEU -2.14 -3.83 1 100 ALA -1.09 -1.99 1 101 TYR 1.05 -0.13 1 103 ASP 0.67 -1.07 1 104 ARG -1.86 -2.04 1 105 SER -2.89 1.45 1 107 SER -2.48 -0.26 1 109 ALA -0.56 -1.09 1 110 ILE -2.00 -1.82 1 111 LYS 2.66 -1.02 1 114 GLU -3.05 -0.72 1 115 THR 1.47 -1.57 1 116 LEU -4.28 -2.23 1 117 ILE -2.76 -0.80 1 118 PHE -7.15 0.63 1 119 VAL 0.38 0.01 1 120 VAL -4.58 -3.15 1 121 ASP -4.82 -0.88 1 122 LEU 0.81 -2.13 1 123 VAL 1.38 -0.19 1 125 VAL -4.00 -1.49 1 stop_ save_