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 bmr26053_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.36 _LACS_plot.Line_1_terminator_val_y_1 -2.99 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.68 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.60 _LACS_plot.Line_2_terminator_val_x_2 5.81 _LACS_plot.Line_2_terminator_val_y_2 4.34 _LACS_plot.Y_axis_chem_shift_offset 0.09 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 65 GLN 1.19 -1.60 0 69 GLU -6.34 -1.30 0 35 ASP 0.71 -2.05 0 18 ALA 0.99 -2.00 0 10 MET 0.80 -0.31 1 12 LEU -1.81 -1.05 1 13 SER -0.14 -0.31 1 14 SER -0.63 -0.71 1 15 ALA 2.70 1.48 1 17 VAL -0.96 -0.81 1 19 VAL 2.55 1.40 1 20 GLN 1.72 -0.59 1 21 ARG 5.46 3.80 1 22 SER 2.93 1.70 1 23 ALA -0.74 -0.62 1 24 SER 1.41 0.44 1 25 ARG 1.47 0.69 1 26 VAL -3.42 -1.40 1 27 ALA 0.62 0.33 1 28 TYR 0.54 1.14 1 29 ASN -2.57 -1.96 1 30 GLN 3.57 2.66 1 31 SER 4.24 3.41 1 32 ALA 2.96 2.09 1 33 ILE 4.37 4.30 1 34 ASP 2.65 1.95 1 36 SER 2.77 2.73 1 37 ASN -0.38 -0.47 1 38 ASN 1.76 2.00 1 39 SER 3.64 2.69 1 40 ALA 1.58 1.93 1 41 TRP -2.63 -1.02 1 42 ASP 1.68 0.57 1 43 PHE 0.82 1.34 1 44 ALA -1.79 -0.90 1 45 ASP 2.37 1.93 1 47 VAL 5.44 4.71 1 48 LEU 5.45 2.87 1 49 GLU 5.46 3.82 1 50 GLN 3.91 3.04 1 51 ILE 4.59 3.01 1 52 LEU 4.82 3.02 1 53 ALA 4.57 3.36 1 54 THR 5.81 4.79 1 56 ARG 3.11 2.69 1 57 SER 4.39 3.43 1 58 ARG 0.93 0.37 1 60 TYR -0.60 -0.63 1 61 ILE -7.36 -3.21 1 62 THR -2.07 -1.00 1 64 ASP -0.07 -1.05 1 66 TYR -3.78 -2.14 1 67 ILE -2.83 0.30 1 68 LEU -6.22 -1.69 1 70 ARG 1.73 2.12 1 71 VAL -0.06 1.76 1 72 ASN -3.77 -1.83 1 73 ILE -2.05 -0.43 1 74 VAL -2.24 -0.99 1 75 ASN 2.61 0.91 1 77 ASN -3.26 -1.56 1 79 TYR -1.63 -1.14 1 80 TYR -6.68 -2.39 1 81 ASN -6.35 -2.84 1 82 LEU -5.46 -2.20 1 83 TYR -5.23 -2.27 1 84 LYS 2.57 2.24 1 86 ASP -0.12 -1.30 1 88 THR 3.77 3.18 1 89 TYR 1.55 1.70 1 90 LEU 0.16 0.24 1 91 PHE -3.06 -1.98 1 92 THR -2.03 -0.21 1 93 LEU -6.00 -2.01 1 94 ASN -2.51 -1.29 1 96 LYS -0.61 -1.27 1 97 THR -2.02 -0.77 1 99 TYR 0.58 1.12 1 100 PHE -4.85 -2.50 1 101 VAL -3.51 -1.56 1 103 ASN -0.43 0.06 1 105 ALA -0.22 0.03 1 108 ALA 0.03 0.12 1 109 ASP -0.10 0.27 1 110 ASP 0.00 0.18 1 111 LEU -0.17 -0.08 1 112 ASP 0.52 -0.61 1 113 TYR 0.09 0.67 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26053_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.36 _LACS_plot.Line_1_terminator_val_y_1 4.37 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.32 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.40 _LACS_plot.Line_2_terminator_val_x_2 5.81 _LACS_plot.Line_2_terminator_val_y_2 -1.47 _LACS_plot.Y_axis_chem_shift_offset 0.09 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 65 GLN 1.19 -2.79 0 69 GLU -6.34 5.04 0 35 ASP 0.71 -2.76 0 18 ALA 0.99 -2.99 0 10 MET 0.80 -1.11 1 12 LEU -1.81 0.76 1 13 SER -0.14 -0.17 1 14 SER -0.63 -0.08 1 15 ALA 2.70 -1.22 1 17 VAL -0.96 0.15 1 19 VAL 2.55 -1.15 1 20 GLN 1.72 -2.31 1 21 ARG 5.46 -1.66 1 22 SER 2.93 -1.23 1 23 ALA -0.74 0.12 1 24 SER 1.41 -0.97 1 25 ARG 1.47 -0.78 1 26 VAL -3.42 2.02 1 27 ALA 0.62 -0.29 1 28 TYR 0.54 0.60 1 29 ASN -2.57 0.61 1 30 GLN 3.57 -0.91 1 31 SER 4.24 -0.83 1 32 ALA 2.96 -0.87 1 33 ILE 4.37 -0.07 1 34 ASP 2.65 -0.70 1 36 SER 2.77 -0.04 1 37 ASN -0.38 -0.09 1 38 ASN 1.76 0.24 1 39 SER 3.64 -0.95 1 40 ALA 1.58 0.35 1 41 TRP -2.63 1.61 1 42 ASP 1.68 -1.11 1 43 PHE 0.82 0.52 1 44 ALA -1.79 0.89 1 45 ASP 2.37 -0.44 1 47 VAL 5.44 -0.73 1 48 LEU 5.45 -2.58 1 49 GLU 5.46 -1.64 1 50 GLN 3.91 -0.87 1 51 ILE 4.59 -1.58 1 52 LEU 4.82 -1.80 1 53 ALA 4.57 -1.21 1 54 THR 5.81 -1.02 1 56 ARG 3.11 -0.42 1 57 SER 4.39 -0.96 1 58 ARG 0.93 -0.56 1 60 TYR -0.60 -0.03 1 61 ILE -7.36 4.15 1 62 THR -2.07 1.07 1 64 ASP -0.07 -0.98 1 66 TYR -3.78 1.64 1 67 ILE -2.83 3.13 1 68 LEU -6.22 4.53 1 70 ARG 1.73 0.39 1 71 VAL -0.06 1.82 1 72 ASN -3.77 1.94 1 73 ILE -2.05 1.62 1 74 VAL -2.24 1.25 1 75 ASN 2.61 -1.70 1 77 ASN -3.26 1.70 1 79 TYR -1.63 0.49 1 80 TYR -6.68 4.29 1 81 ASN -6.35 3.51 1 82 LEU -5.46 3.26 1 83 TYR -5.23 2.96 1 84 LYS 2.57 -0.33 1 86 ASP -0.12 -1.18 1 88 THR 3.77 -0.59 1 89 TYR 1.55 0.15 1 90 LEU 0.16 0.08 1 91 PHE -3.06 1.08 1 92 THR -2.03 1.82 1 93 LEU -6.00 3.99 1 94 ASN -2.51 1.22 1 96 LYS -0.61 -0.66 1 97 THR -2.02 1.25 1 99 TYR 0.58 0.54 1 100 PHE -4.85 2.35 1 101 VAL -3.51 1.95 1 103 ASN -0.43 0.49 1 105 ALA -0.22 0.25 1 108 ALA 0.03 0.09 1 109 ASP -0.10 0.37 1 110 ASP 0.00 0.18 1 111 LEU -0.17 0.09 1 112 ASP 0.52 -1.13 1 113 TYR 0.09 0.58 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26053_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.36 _LACS_plot.Line_1_terminator_val_y_1 0.73 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.21 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.12 _LACS_plot.Line_2_terminator_val_x_2 5.81 _LACS_plot.Line_2_terminator_val_y_2 -0.52 _LACS_plot.Y_axis_chem_shift_offset 0.03 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 92 THR -2.03 1.57 0 24 SER 1.41 -1.52 0 10 MET 0.80 0.24 1 12 LEU -1.81 -0.11 1 13 SER -0.14 -0.09 1 14 SER -0.63 -0.22 1 15 ALA 2.70 -0.18 1 17 VAL -0.96 -0.17 1 18 ALA 0.99 0.18 1 19 VAL 2.55 -0.67 1 20 GLN 1.72 0.14 1 21 ARG 5.46 0.07 1 22 SER 2.93 -0.34 1 23 ALA -0.74 -0.12 1 25 ARG 1.47 -0.12 1 26 VAL -3.42 -0.07 1 27 ALA 0.62 -0.09 1 28 TYR 0.54 -0.20 1 29 ASN -2.57 0.26 1 30 GLN 3.57 -0.49 1 31 SER 4.24 -0.18 1 32 ALA 2.96 0.17 1 33 ILE 4.37 -0.80 1 34 ASP 2.65 -0.17 1 35 ASP 0.71 0.36 1 36 SER 2.77 -0.53 1 37 ASN -0.38 0.30 1 38 ASN 1.76 -0.38 1 39 SER 3.64 -0.24 1 40 ALA 1.58 -0.53 1 41 TRP -2.63 0.15 1 42 ASP 1.68 0.04 1 43 PHE 0.82 -0.37 1 44 ALA -1.79 0.23 1 45 ASP 2.37 -0.21 1 47 VAL 5.44 -0.46 1 48 LEU 5.45 -0.67 1 49 GLU 5.46 -0.64 1 50 GLN 3.91 -0.17 1 51 ILE 4.59 -0.51 1 52 LEU 4.82 -0.58 1 53 ALA 4.57 -0.19 1 54 THR 5.81 -0.44 1 56 ARG 3.11 0.34 1 57 SER 4.39 -0.27 1 58 ARG 0.93 -0.19 1 60 TYR -0.60 0.06 1 61 ILE -7.36 0.66 1 62 THR -2.07 0.13 1 64 ASP -0.07 0.55 1 65 GLN 1.19 -0.11 1 66 TYR -3.78 0.21 1 67 ILE -2.83 0.36 1 68 LEU -6.22 1.55 1 69 GLU -6.34 0.77 1 70 ARG 1.73 -1.14 1 71 VAL -0.06 -0.40 1 72 ASN -3.77 -0.03 1 73 ILE -2.05 0.17 1 74 VAL -2.24 -0.03 1 75 ASN 2.61 -0.45 1 77 ASN -3.26 0.04 1 79 TYR -1.63 1.31 1 80 TYR -6.68 1.05 1 81 ASN -6.35 1.30 1 82 LEU -5.46 0.82 1 83 TYR -5.23 0.69 1 84 LYS 2.57 -0.21 1 86 ASP -0.12 -0.20 1 88 THR 3.77 -0.41 1 89 TYR 1.55 -0.24 1 90 LEU 0.16 -0.35 1 91 PHE -3.06 -0.17 1 93 LEU -6.00 1.29 1 94 ASN -2.51 -0.33 1 96 LYS -0.61 0.27 1 97 THR -2.02 0.10 1 99 TYR 0.58 -0.26 1 100 PHE -4.85 0.95 1 101 VAL -3.51 0.22 1 103 ASN -0.43 0.28 1 108 ALA 0.03 0.00 1 109 ASP -0.10 -0.02 1 110 ASP 0.00 -0.05 1 111 LEU -0.17 -0.03 1 112 ASP 0.52 -0.22 1 113 TYR 0.09 -0.22 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26053_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.36 _LACS_plot.Line_1_terminator_val_y_1 -2.87 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.79 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.00 _LACS_plot.Line_2_terminator_val_x_2 5.81 _LACS_plot.Line_2_terminator_val_y_2 2.52 _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 93 LEU -6.00 -4.13 0 65 GLN 1.19 -2.92 0 69 GLU -6.34 -0.66 0 61 ILE -7.36 -1.93 0 113 TYR 0.09 3.71 0 56 ARG 3.11 4.69 0 83 TYR -5.23 0.81 0 10 MET 0.80 -0.16 1 12 LEU -1.81 -0.40 1 13 SER -0.14 0.83 1 14 SER -0.63 0.37 1 15 ALA 2.70 1.06 1 17 VAL -0.96 -0.72 1 18 ALA 0.99 -1.85 1 19 VAL 2.55 1.95 1 20 GLN 1.72 0.62 1 21 ARG 5.46 3.56 1 22 SER 2.93 0.08 1 23 ALA -0.74 -1.87 1 24 SER 1.41 1.99 1 25 ARG 1.47 -0.59 1 26 VAL -3.42 -2.14 1 27 ALA 0.62 -0.32 1 28 TYR 0.54 1.91 1 29 ASN -2.57 -0.18 1 30 GLN 3.57 0.59 1 31 SER 4.24 2.00 1 32 ALA 2.96 1.72 1 33 ILE 4.37 1.92 1 34 ASP 2.65 1.19 1 35 ASP 0.71 1.95 1 36 SER 2.77 0.75 1 37 ASN -0.38 -0.28 1 38 ASN 1.76 2.86 1 39 SER 3.64 2.05 1 40 ALA 1.58 -0.55 1 41 TRP -2.63 1.52 1 42 ASP 1.68 1.17 1 43 PHE 0.82 2.34 1 44 ALA -1.79 0.12 1 45 ASP 2.37 1.66 1 47 VAL 5.44 1.24 1 48 LEU 5.45 0.53 1 49 GLU 5.46 3.10 1 50 GLN 3.91 2.70 1 51 ILE 4.59 3.51 1 52 LEU 4.82 1.17 1 53 ALA 4.57 3.92 1 54 THR 5.81 1.43 1 57 SER 4.39 1.94 1 58 ARG 0.93 -0.06 1 60 TYR -0.60 0.48 1 62 THR -2.07 -0.85 1 64 ASP -0.07 -0.66 1 66 TYR -3.78 -4.24 1 67 ILE -2.83 -2.85 1 68 LEU -6.22 -1.66 1 70 ARG 1.73 -0.96 1 71 VAL -0.06 -2.65 1 72 ASN -3.77 -3.00 1 73 ILE -2.05 -1.62 1 74 VAL -2.24 0.50 1 75 ASN 2.61 -0.23 1 77 ASN -3.26 -2.52 1 79 TYR -1.63 -0.74 1 80 TYR -6.68 -2.22 1 81 ASN -6.35 -1.85 1 82 LEU -5.46 -3.64 1 84 LYS 2.57 1.19 1 86 ASP -0.12 1.06 1 88 THR 3.77 0.19 1 89 TYR 1.55 -2.00 1 90 LEU 0.16 -2.92 1 91 PHE -3.06 -1.77 1 92 THR -2.03 -0.70 1 94 ASN -2.51 1.67 1 96 LYS -0.61 1.94 1 97 THR -2.02 1.84 1 99 TYR 0.58 -1.16 1 100 PHE -4.85 -2.76 1 101 VAL -3.51 -2.45 1 103 ASN -0.43 0.73 1 105 ALA -0.22 0.22 1 108 ALA 0.03 -0.53 1 109 ASP -0.10 -0.36 1 110 ASP 0.00 -0.11 1 111 LEU -0.17 -1.16 1 112 ASP 0.52 -1.76 1 stop_ save_