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 bmr26777_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -5.84 _LACS_plot.Line_1_terminator_val_y_1 -2.53 _LACS_plot.Line_1_terminator_val_x_2 2.00 _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 -1.21 _LACS_plot.Line_2_terminator_val_x_2 7.26 _LACS_plot.Line_2_terminator_val_y_2 5.41 _LACS_plot.Y_axis_chem_shift_offset -0.21 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 67 MET -4.38 0.67 0 10 HIS 0.19 0.61 1 12 SER -0.18 0.16 1 13 SER -0.29 0.10 1 14 ARG -2.04 -0.62 1 15 THR -0.36 0.37 1 16 VAL -3.88 -2.07 1 17 LEU -4.22 -2.11 1 18 ALA -3.65 -2.31 1 19 VAL -1.84 -2.02 1 20 ASP -1.50 1.22 1 21 ASP 2.17 1.17 1 22 SER -1.90 -2.22 1 24 SER 4.37 2.80 1 25 VAL 4.74 3.93 1 26 ARG 4.97 4.97 1 27 SER 4.20 3.15 1 28 MET 4.23 3.76 1 29 VAL 5.82 4.98 1 30 ALA 4.20 3.32 1 31 MET 4.34 3.74 1 32 THR 6.52 5.25 1 33 LEU 3.77 2.50 1 34 ARG 4.87 3.79 1 35 GLU 3.35 2.29 1 36 ALA -1.50 -0.76 1 38 TYR 0.60 0.28 1 39 ARG -0.20 -0.35 1 40 VAL -3.60 -1.65 1 41 ILE -3.27 -1.44 1 42 GLU -5.54 -1.41 1 43 ALA -5.84 -1.88 1 44 THR 0.58 0.91 1 45 ASP -0.45 -0.27 1 47 ARG 4.09 2.75 1 48 GLU 1.49 2.00 1 50 LEU 3.45 3.24 1 51 GLU 3.52 2.56 1 52 LYS 3.42 3.19 1 53 ALA 3.12 1.91 1 54 LEU 0.16 -0.16 1 55 SER -0.26 1.20 1 56 GLU -1.86 -0.65 1 58 VAL -2.94 -1.19 1 59 ASP -0.97 1.65 1 60 ALA -4.83 -1.16 1 61 ILE -4.47 -0.83 1 62 ILE -3.22 -1.75 1 63 THR -4.58 -3.19 1 64 ASP -5.18 -2.15 1 65 GLN 1.35 0.39 1 66 ASN 3.15 1.53 1 69 ASN 7.26 6.05 1 70 LEU -0.92 1.11 1 71 ASP -0.97 -1.21 1 73 LEU 4.22 3.81 1 75 PHE 2.64 1.21 1 76 ILE 5.15 1.71 1 77 ARG 5.03 4.54 1 78 ALA 2.76 2.44 1 79 PHE 2.30 2.63 1 80 ARG 2.78 0.94 1 81 GLU 0.81 0.44 1 82 HIS 1.05 -0.15 1 84 GLU 4.16 3.26 1 85 SER 0.85 0.94 1 86 LYS 3.56 2.40 1 88 LYS -0.47 -1.24 1 90 ILE -4.89 -1.34 1 91 ILE -4.58 -2.33 1 92 PHE -5.13 -1.42 1 93 LEU -3.55 -2.02 1 94 SER -4.16 -2.25 1 95 THR 3.04 2.73 1 96 ASP -0.47 0.33 1 97 SER -2.61 -1.21 1 98 ALA 0.72 0.69 1 99 ASP 4.15 3.66 1 100 THR 4.65 2.95 1 101 LEU 3.01 2.08 1 102 LYS 4.68 3.56 1 103 GLN 4.73 2.99 1 104 GLN 3.27 3.46 1 105 ALA 4.47 2.74 1 106 ARG 1.99 0.81 1 107 GLU 3.30 2.43 1 108 ALA 0.26 -0.23 1 110 ALA -0.17 0.39 1 111 MET -0.62 0.37 1 113 TRP -0.88 -0.36 1 114 MET -3.85 -0.57 1 115 VAL -1.99 -1.84 1 116 LYS -0.92 0.94 1 118 PHE -5.76 -3.16 1 119 THR -3.93 -2.61 1 120 GLN 3.47 3.06 1 122 GLN 3.21 2.66 1 123 LEU 3.63 2.64 1 124 LEU 3.56 2.64 1 125 ALA 5.10 3.96 1 126 VAL 3.46 0.85 1 127 ILE 3.81 2.84 1 128 LYS 3.26 2.80 1 129 LYS 1.98 1.29 1 130 VAL -0.70 0.18 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26777_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -5.84 _LACS_plot.Line_1_terminator_val_y_1 3.31 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.85 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.79 _LACS_plot.Line_2_terminator_val_x_2 7.26 _LACS_plot.Line_2_terminator_val_y_2 -1.85 _LACS_plot.Y_axis_chem_shift_offset -0.21 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 67 MET -4.38 5.05 0 10 HIS 0.19 0.42 1 12 SER -0.18 0.34 1 13 SER -0.29 0.39 1 14 ARG -2.04 1.42 1 15 THR -0.36 0.73 1 16 VAL -3.88 1.81 1 17 LEU -4.22 2.11 1 18 ALA -3.65 1.34 1 19 VAL -1.84 -0.18 1 20 ASP -1.50 2.72 1 21 ASP 2.17 -1.00 1 22 SER -1.90 -0.32 1 24 SER 4.37 -1.57 1 25 VAL 4.74 -0.81 1 26 ARG 4.97 0.00 1 27 SER 4.20 -1.05 1 28 MET 4.23 -0.47 1 29 VAL 5.82 -0.84 1 30 ALA 4.20 -0.88 1 31 MET 4.34 -0.60 1 32 THR 6.52 -1.27 1 33 LEU 3.77 -1.27 1 34 ARG 4.87 -1.08 1 35 GLU 3.35 -1.06 1 36 ALA -1.50 0.74 1 38 TYR 0.60 -0.32 1 39 ARG -0.20 -0.15 1 40 VAL -3.60 1.95 1 41 ILE -3.27 1.83 1 42 GLU -5.54 4.13 1 43 ALA -5.84 3.96 1 44 THR 0.58 0.33 1 45 ASP -0.45 0.18 1 47 ARG 4.09 -1.34 1 48 GLU 1.49 0.51 1 50 LEU 3.45 -0.21 1 51 GLU 3.52 -0.96 1 52 LYS 3.42 -0.23 1 53 ALA 3.12 -1.21 1 54 LEU 0.16 -0.32 1 55 SER -0.26 1.46 1 56 GLU -1.86 1.21 1 58 VAL -2.94 1.75 1 59 ASP -0.97 2.62 1 60 ALA -4.83 3.67 1 61 ILE -4.47 3.64 1 62 ILE -3.22 1.47 1 63 THR -4.58 1.39 1 64 ASP -5.18 3.03 1 65 GLN 1.35 -0.96 1 66 ASN 3.15 -1.62 1 69 ASN 7.26 -1.21 1 70 LEU -0.92 2.03 1 71 ASP -0.97 -0.24 1 73 LEU 4.22 -0.41 1 75 PHE 2.64 -1.43 1 76 ILE 5.15 -3.44 1 77 ARG 5.03 -0.49 1 78 ALA 2.76 -0.32 1 79 PHE 2.30 0.33 1 80 ARG 2.78 -1.84 1 81 GLU 0.81 -0.37 1 82 HIS 1.05 -1.20 1 84 GLU 4.16 -0.90 1 85 SER 0.85 0.09 1 86 LYS 3.56 -1.16 1 88 LYS -0.47 -0.77 1 90 ILE -4.89 3.55 1 91 ILE -4.58 2.25 1 92 PHE -5.13 3.71 1 93 LEU -3.55 1.53 1 94 SER -4.16 1.91 1 95 THR 3.04 -0.31 1 96 ASP -0.47 0.80 1 97 SER -2.61 1.40 1 98 ALA 0.72 -0.03 1 99 ASP 4.15 -0.49 1 100 THR 4.65 -1.70 1 101 LEU 3.01 -0.93 1 102 LYS 4.68 -1.12 1 103 GLN 4.73 -1.74 1 104 GLN 3.27 0.19 1 105 ALA 4.47 -1.73 1 106 ARG 1.99 -1.18 1 107 GLU 3.30 -0.87 1 108 ALA 0.26 -0.49 1 110 ALA -0.17 0.56 1 111 MET -0.62 0.99 1 113 TRP -0.88 0.52 1 114 MET -3.85 3.28 1 115 VAL -1.99 0.15 1 116 LYS -0.92 1.86 1 118 PHE -5.76 2.60 1 119 THR -3.93 1.32 1 120 GLN 3.47 -0.41 1 122 GLN 3.21 -0.55 1 123 LEU 3.63 -0.99 1 124 LEU 3.56 -0.92 1 125 ALA 5.10 -1.14 1 126 VAL 3.46 -2.61 1 127 ILE 3.81 -0.97 1 128 LYS 3.26 -0.46 1 129 LYS 1.98 -0.69 1 130 VAL -0.70 0.88 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26777_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -5.84 _LACS_plot.Line_1_terminator_val_y_1 0.75 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.13 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.31 _LACS_plot.Line_2_terminator_val_x_2 7.26 _LACS_plot.Line_2_terminator_val_y_2 -0.72 _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 1.35 1.27 0 10 HIS 0.19 -0.04 1 12 SER -0.18 0.03 1 13 SER -0.29 0.06 1 14 ARG -2.04 0.31 1 15 THR -0.36 0.87 1 16 VAL -3.88 0.44 1 17 LEU -4.22 0.70 1 18 ALA -3.65 0.94 1 19 VAL -1.84 0.47 1 20 ASP -1.50 -0.08 1 21 ASP 2.17 0.28 1 22 SER -1.90 0.28 1 24 SER 4.37 -0.25 1 25 VAL 4.74 -0.33 1 26 ARG 4.97 -0.59 1 27 SER 4.20 -0.25 1 28 MET 4.23 -0.15 1 29 VAL 5.82 -0.81 1 30 ALA 4.20 -0.40 1 31 MET 4.34 -0.34 1 32 THR 6.52 -0.48 1 33 LEU 3.77 -0.20 1 34 ARG 4.87 0.41 1 35 GLU 3.35 -0.25 1 36 ALA -1.50 0.15 1 38 TYR 0.60 0.06 1 39 ARG -0.20 0.21 1 40 VAL -3.60 1.20 1 41 ILE -3.27 0.24 1 42 GLU -5.54 1.00 1 43 ALA -5.84 0.40 1 44 THR 0.58 0.13 1 45 ASP -0.45 0.59 1 47 ARG 4.09 -0.38 1 48 GLU 1.49 -0.37 1 50 LEU 3.45 -0.50 1 51 GLU 3.52 -0.49 1 52 LYS 3.42 -0.34 1 53 ALA 3.12 -0.53 1 54 LEU 0.16 0.05 1 55 SER -0.26 0.10 1 56 GLU -1.86 0.25 1 58 VAL -2.94 -0.08 1 59 ASP -0.97 0.31 1 60 ALA -4.83 0.47 1 61 ILE -4.47 0.68 1 62 ILE -3.22 0.79 1 63 THR -4.58 1.05 1 64 ASP -5.18 0.82 1 66 ASN 3.15 0.11 1 67 MET -4.38 -0.03 1 69 ASN 7.26 -0.70 1 70 LEU -0.92 0.10 1 71 ASP -0.97 -0.06 1 73 LEU 4.22 -0.15 1 75 PHE 2.64 0.00 1 76 ILE 5.15 -0.70 1 77 ARG 5.03 -0.34 1 78 ALA 2.76 0.01 1 79 PHE 2.30 -0.32 1 80 ARG 2.78 -0.07 1 81 GLU 0.81 -0.17 1 82 HIS 1.05 -0.18 1 84 GLU 4.16 -0.27 1 85 SER 0.85 -0.76 1 86 LYS 3.56 -0.33 1 88 LYS -0.47 0.23 1 90 ILE -4.89 0.76 1 91 ILE -4.58 0.35 1 92 PHE -5.13 0.60 1 93 LEU -3.55 0.71 1 94 SER -4.16 0.97 1 95 THR 3.04 0.03 1 96 ASP -0.47 0.14 1 97 SER -2.61 -0.12 1 98 ALA 0.72 -0.21 1 99 ASP 4.15 -0.55 1 100 THR 4.65 -0.41 1 101 LEU 3.01 -0.43 1 102 LYS 4.68 -1.24 1 103 GLN 4.73 -0.44 1 104 GLN 3.27 -0.42 1 105 ALA 4.47 -0.64 1 106 ARG 1.99 -0.12 1 107 GLU 3.30 -0.35 1 108 ALA 0.26 0.05 1 110 ALA -0.17 0.17 1 111 MET -0.62 0.15 1 113 TRP -0.88 0.31 1 114 MET -3.85 0.13 1 115 VAL -1.99 1.00 1 116 LYS -0.92 -0.52 1 118 PHE -5.76 0.83 1 119 THR -3.93 0.30 1 120 GLN 3.47 -0.23 1 122 GLN 3.21 -0.39 1 123 LEU 3.63 -0.49 1 124 LEU 3.56 -0.20 1 125 ALA 5.10 -0.31 1 126 VAL 3.46 -0.44 1 127 ILE 3.81 -0.33 1 128 LYS 3.26 -0.22 1 129 LYS 1.98 0.13 1 130 VAL -0.70 0.22 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26777_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -5.84 _LACS_plot.Line_1_terminator_val_y_1 -2.74 _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 -0.99 _LACS_plot.Line_2_terminator_val_x_2 7.26 _LACS_plot.Line_2_terminator_val_y_2 3.00 _LACS_plot.Y_axis_chem_shift_offset 0.12 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 66 ASN 3.15 -3.23 0 10 HIS 0.19 0.65 1 12 SER -0.18 -0.01 1 13 SER -0.29 -0.29 1 14 ARG -2.04 -0.88 1 15 THR -0.36 -0.56 1 16 VAL -3.88 -2.86 1 17 LEU -4.22 -5.03 1 18 ALA -3.65 -2.65 1 19 VAL -1.84 -1.61 1 20 ASP -1.50 -1.82 1 21 ASP 2.17 -0.14 1 22 SER -1.90 1.29 1 24 SER 4.37 2.84 1 25 VAL 4.74 1.56 1 26 ARG 4.97 2.08 1 27 SER 4.20 2.14 1 28 MET 4.23 3.58 1 29 VAL 5.82 0.93 1 30 ALA 4.20 1.65 1 31 MET 4.34 2.35 1 32 THR 6.52 1.79 1 33 LEU 3.77 1.75 1 34 ARG 4.87 5.65 1 35 GLU 3.35 0.59 1 36 ALA -1.50 -1.03 1 38 TYR 0.60 0.03 1 39 ARG -0.20 -0.84 1 40 VAL -3.60 -0.38 1 41 ILE -3.27 -2.33 1 42 GLU -5.54 -1.37 1 43 ALA -5.84 -1.51 1 44 THR 0.58 -1.36 1 45 ASP -0.45 0.44 1 47 ARG 4.09 2.34 1 48 GLU 1.49 2.50 1 50 LEU 3.45 -0.64 1 51 GLU 3.52 4.28 1 52 LYS 3.42 1.27 1 53 ALA 3.12 -0.15 1 54 LEU 0.16 0.57 1 55 SER -0.26 -0.88 1 56 GLU -1.86 -1.29 1 58 VAL -2.94 -1.99 1 59 ASP -0.97 -1.05 1 60 ALA -4.83 -3.48 1 61 ILE -4.47 -2.75 1 62 ILE -3.22 -2.15 1 63 THR -4.58 -4.60 1 64 ASP -5.18 -0.42 1 65 GLN 1.35 0.18 1 67 MET -4.38 -3.35 1 69 ASN 7.26 0.67 1 70 LEU -0.92 -3.72 1 71 ASP -0.97 -1.24 1 73 LEU 4.22 1.31 1 75 PHE 2.64 0.45 1 76 ILE 5.15 1.79 1 77 ARG 5.03 2.98 1 78 ALA 2.76 3.54 1 79 PHE 2.30 1.90 1 80 ARG 2.78 0.38 1 81 GLU 0.81 0.24 1 82 HIS 1.05 1.62 1 84 GLU 4.16 -0.23 1 85 SER 0.85 1.37 1 86 LYS 3.56 1.41 1 88 LYS -0.47 -0.48 1 90 ILE -4.89 -1.64 1 91 ILE -4.58 -1.97 1 92 PHE -5.13 -1.23 1 93 LEU -3.55 -2.43 1 94 SER -4.16 0.31 1 95 THR 3.04 0.65 1 96 ASP -0.47 -1.14 1 97 SER -2.61 -0.70 1 98 ALA 0.72 0.57 1 99 ASP 4.15 2.17 1 100 THR 4.65 1.98 1 101 LEU 3.01 -0.06 1 102 LYS 4.68 3.19 1 103 GLN 4.73 2.46 1 104 GLN 3.27 3.33 1 105 ALA 4.47 1.39 1 106 ARG 1.99 4.73 1 107 GLU 3.30 1.04 1 108 ALA 0.26 -1.92 1 110 ALA -0.17 -0.01 1 111 MET -0.62 -0.21 1 113 TRP -0.88 -1.63 1 114 MET -3.85 -2.98 1 115 VAL -1.99 0.31 1 116 LYS -0.92 -0.16 1 118 PHE -5.76 -1.24 1 119 THR -3.93 0.63 1 120 GLN 3.47 2.69 1 122 GLN 3.21 0.26 1 123 LEU 3.63 1.26 1 124 LEU 3.56 3.11 1 125 ALA 5.10 1.23 1 126 VAL 3.46 1.09 1 127 ILE 3.81 2.34 1 128 LYS 3.26 2.04 1 129 LYS 1.98 0.13 1 130 VAL -0.70 -0.65 1 stop_ save_