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 bmr26769_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.15 _LACS_plot.Line_1_terminator_val_y_1 -2.38 _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 -1.26 _LACS_plot.Line_2_terminator_val_x_2 7.17 _LACS_plot.Line_2_terminator_val_y_2 5.44 _LACS_plot.Y_axis_chem_shift_offset -0.20 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 64 ASP -5.10 -0.78 0 42 GLU -5.61 -0.95 0 114 MET -5.38 -0.74 0 13 SER -0.16 0.21 1 14 ARG -1.82 -0.32 1 15 THR -0.19 0.48 1 16 VAL -4.07 -2.20 1 17 LEU -4.30 -2.18 1 18 ALA -3.19 -2.14 1 19 VAL -1.12 -1.84 1 20 ASP -1.04 1.17 1 21 ASP 1.91 1.00 1 22 SER -1.49 -2.10 1 24 SER 4.51 2.73 1 25 VAL 4.78 3.71 1 26 ARG 5.51 5.46 1 27 SER 4.13 3.16 1 28 MET 4.75 4.09 1 29 VAL 5.46 4.27 1 30 ALA 4.09 3.28 1 31 MET 4.34 3.69 1 32 THR 6.39 5.26 1 33 LEU 3.97 2.61 1 34 ARG 4.94 3.89 1 35 GLU 3.17 2.54 1 36 ALA -0.84 -0.67 1 38 TYR 0.46 0.38 1 39 ARG -0.21 -0.27 1 40 VAL -3.63 -1.57 1 41 ILE -3.31 -1.37 1 43 ALA -5.95 -1.84 1 44 THR 0.54 0.90 1 45 ASP -0.75 -0.36 1 47 ARG 4.19 2.74 1 48 GLU 1.46 2.15 1 50 LEU 3.56 3.38 1 51 GLU 3.29 2.82 1 52 LYS 3.27 3.20 1 53 ALA 2.91 1.95 1 54 LEU 0.15 -0.14 1 55 SER -0.28 1.23 1 56 GLU -2.04 -0.47 1 58 VAL -3.17 -1.34 1 59 ASP -0.80 1.75 1 60 ALA -4.93 -1.16 1 61 ILE -4.75 -0.97 1 62 ILE -3.27 -1.34 1 63 THR -4.57 -3.17 1 65 GLN 2.44 2.55 1 66 ASN 2.71 2.47 1 69 ASN 7.18 6.05 1 70 LEU -1.09 0.99 1 71 ASP -0.75 -1.30 1 73 LEU 4.36 3.28 1 75 PHE 3.35 2.10 1 76 ILE 6.50 5.19 1 77 ARG 4.62 4.07 1 78 ALA 2.34 2.31 1 79 PHE 2.41 2.46 1 80 ARG 2.91 1.28 1 81 GLU 0.58 0.69 1 84 GLU 3.59 2.80 1 85 SER 1.01 1.04 1 86 LYS 3.44 2.21 1 88 LYS -0.59 -1.22 1 90 ILE -4.67 -1.41 1 91 ILE -2.39 -1.34 1 92 PHE -4.29 -0.83 1 93 LEU -3.76 -3.10 1 94 SER -3.93 -2.02 1 95 THR 1.11 0.63 1 96 ASP -3.19 -0.38 1 97 SER -0.24 0.09 1 98 ALA 0.36 0.74 1 99 ASP 3.30 2.97 1 100 THR 4.69 3.15 1 101 LEU 2.48 1.79 1 102 LYS 4.57 3.53 1 103 GLN 4.62 2.83 1 104 GLN 3.80 3.47 1 105 ALA 5.22 2.85 1 106 ARG 4.21 3.06 1 107 GLU 3.08 2.47 1 108 ALA 0.98 0.60 1 110 ALA -0.24 -0.09 1 111 MET -0.65 0.41 1 113 TRP -3.49 -0.72 1 115 VAL -2.04 -1.72 1 116 LYS -0.28 0.71 1 118 PHE -6.15 -3.51 1 119 THR -3.97 -2.23 1 120 GLN 3.76 3.17 1 122 GLN 3.78 2.47 1 123 LEU 3.69 2.69 1 124 LEU 3.66 2.63 1 125 ALA 5.18 3.99 1 126 VAL 4.19 2.09 1 127 ILE 3.82 2.72 1 128 LYS 2.94 2.64 1 129 LYS 2.13 1.72 1 130 VAL -0.07 0.38 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26769_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.15 _LACS_plot.Line_1_terminator_val_y_1 3.77 _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 0.74 _LACS_plot.Line_2_terminator_val_x_2 7.17 _LACS_plot.Line_2_terminator_val_y_2 -1.73 _LACS_plot.Y_axis_chem_shift_offset -0.20 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 64 ASP -5.10 4.32 0 42 GLU -5.61 4.66 0 114 MET -5.38 4.64 0 13 SER -0.16 0.37 1 14 ARG -1.82 1.50 1 15 THR -0.19 0.67 1 16 VAL -4.07 1.87 1 17 LEU -4.30 2.12 1 18 ALA -3.19 1.05 1 19 VAL -1.12 -0.72 1 20 ASP -1.04 2.21 1 21 ASP 1.91 -0.91 1 22 SER -1.49 -0.61 1 24 SER 4.51 -1.78 1 25 VAL 4.78 -1.07 1 26 ARG 5.51 -0.05 1 27 SER 4.13 -0.97 1 28 MET 4.75 -0.66 1 29 VAL 5.46 -1.19 1 30 ALA 4.09 -0.81 1 31 MET 4.34 -0.65 1 32 THR 6.39 -1.13 1 33 LEU 3.97 -1.36 1 34 ARG 4.94 -1.05 1 35 GLU 3.17 -0.63 1 36 ALA -0.84 0.17 1 38 TYR 0.46 -0.08 1 39 ARG -0.21 -0.06 1 40 VAL -3.63 2.06 1 41 ILE -3.31 1.94 1 43 ALA -5.95 4.11 1 44 THR 0.54 0.36 1 45 ASP -0.75 0.39 1 47 ARG 4.19 -1.45 1 48 GLU 1.46 0.69 1 50 LEU 3.56 -0.18 1 51 GLU 3.29 -0.47 1 52 LYS 3.27 -0.07 1 53 ALA 2.91 -0.96 1 54 LEU 0.15 -0.29 1 55 SER -0.28 1.51 1 56 GLU -2.04 1.57 1 58 VAL -3.17 1.83 1 59 ASP -0.80 2.55 1 60 ALA -4.93 3.77 1 61 ILE -4.75 3.78 1 62 ILE -3.27 1.93 1 63 THR -4.57 1.40 1 65 GLN 2.44 0.11 1 66 ASN 2.71 -0.24 1 69 ASN 7.18 -1.13 1 70 LEU -1.09 2.08 1 71 ASP -0.75 -0.55 1 73 LEU 4.36 -1.08 1 75 PHE 3.35 -1.25 1 76 ILE 6.50 -1.31 1 77 ARG 4.62 -0.55 1 78 ALA 2.34 -0.03 1 79 PHE 2.41 0.05 1 80 ARG 2.91 -1.63 1 81 GLU 0.58 0.11 1 84 GLU 3.59 -0.79 1 85 SER 1.01 0.03 1 86 LYS 3.44 -1.23 1 88 LYS -0.59 -0.63 1 90 ILE -4.67 3.26 1 91 ILE -2.39 1.05 1 92 PHE -4.29 3.46 1 93 LEU -3.76 0.66 1 94 SER -3.93 1.91 1 95 THR 1.11 -0.48 1 96 ASP -3.19 2.81 1 97 SER -0.24 0.33 1 98 ALA 0.36 0.38 1 99 ASP 3.30 -0.33 1 100 THR 4.69 -1.54 1 101 LEU 2.48 -0.69 1 102 LYS 4.57 -1.04 1 103 GLN 4.62 -1.79 1 104 GLN 3.80 -0.33 1 105 ALA 5.22 -2.37 1 106 ARG 4.21 -1.15 1 107 GLU 3.08 -0.61 1 108 ALA 0.98 -0.38 1 110 ALA -0.24 0.15 1 111 MET -0.65 1.06 1 113 TRP -3.49 2.77 1 115 VAL -2.04 0.32 1 116 LYS -0.28 0.99 1 118 PHE -6.15 2.64 1 119 THR -3.97 1.74 1 120 GLN 3.76 -0.59 1 122 GLN 3.78 -1.31 1 123 LEU 3.69 -1.00 1 124 LEU 3.66 -1.03 1 125 ALA 5.18 -1.19 1 126 VAL 4.19 -2.10 1 127 ILE 3.82 -1.10 1 128 LYS 2.94 -0.30 1 129 LYS 2.13 -0.41 1 130 VAL -0.07 0.45 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26769_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.15 _LACS_plot.Line_1_terminator_val_y_1 0.74 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.10 _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 7.17 _LACS_plot.Line_2_terminator_val_y_2 -0.64 _LACS_plot.Y_axis_chem_shift_offset -0.10 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 114 MET -5.38 -0.12 0 102 LYS 4.57 -1.39 0 13 SER -0.16 0.04 1 14 ARG -1.82 0.32 1 15 THR -0.19 0.89 1 16 VAL -4.07 0.53 1 17 LEU -4.30 0.73 1 18 ALA -3.19 0.71 1 19 VAL -1.12 0.41 1 20 ASP -1.04 -0.10 1 21 ASP 1.91 0.25 1 22 SER -1.49 0.24 1 24 SER 4.51 -0.26 1 25 VAL 4.78 -0.41 1 26 ARG 5.51 -0.75 1 27 SER 4.13 -0.22 1 28 MET 4.75 -0.24 1 29 VAL 5.46 -0.68 1 30 ALA 4.09 -0.37 1 31 MET 4.34 -0.32 1 32 THR 6.39 -0.43 1 33 LEU 3.97 -0.20 1 34 ARG 4.94 0.46 1 35 GLU 3.17 -0.23 1 36 ALA -0.84 0.18 1 38 TYR 0.46 0.07 1 39 ARG -0.21 0.23 1 40 VAL -3.63 1.23 1 41 ILE -3.31 0.29 1 42 GLU -5.61 0.91 1 43 ALA -5.95 0.43 1 44 THR 0.54 0.09 1 45 ASP -0.75 0.57 1 47 ARG 4.19 -0.28 1 48 GLU 1.46 -0.28 1 50 LEU 3.56 -0.36 1 51 GLU 3.29 -0.44 1 52 LYS 3.27 -0.27 1 53 ALA 2.91 -0.45 1 54 LEU 0.15 0.08 1 55 SER -0.28 0.14 1 56 GLU -2.04 0.26 1 58 VAL -3.17 0.02 1 59 ASP -0.80 0.34 1 60 ALA -4.93 0.50 1 61 ILE -4.75 0.76 1 62 ILE -3.27 0.77 1 63 THR -4.57 1.30 1 64 ASP -5.10 0.16 1 65 GLN 2.44 -0.01 1 66 ASN 2.71 0.22 1 69 ASN 7.18 -0.67 1 70 LEU -1.09 0.16 1 71 ASP -0.75 -0.13 1 73 LEU 4.36 -0.17 1 75 PHE 3.35 -0.09 1 76 ILE 6.50 -0.95 1 77 ARG 4.62 -0.34 1 78 ALA 2.34 -0.03 1 79 PHE 2.41 -0.29 1 80 ARG 2.91 -0.08 1 81 GLU 0.58 -0.21 1 84 GLU 3.59 -0.20 1 85 SER 1.01 -0.69 1 86 LYS 3.44 -0.29 1 88 LYS -0.59 0.29 1 90 ILE -4.67 1.00 1 91 ILE -2.39 0.04 1 92 PHE -4.29 0.33 1 93 LEU -3.76 0.41 1 94 SER -3.93 0.06 1 95 THR 1.11 0.30 1 96 ASP -3.19 0.32 1 97 SER -0.24 0.18 1 98 ALA 0.36 -0.06 1 99 ASP 3.30 -0.34 1 100 THR 4.69 -0.37 1 101 LEU 2.48 -0.01 1 103 GLN 4.62 -0.44 1 104 GLN 3.80 -0.37 1 105 ALA 5.22 -0.69 1 106 ARG 4.21 -0.04 1 107 GLU 3.08 -0.41 1 108 ALA 0.98 -0.11 1 110 ALA -0.24 0.27 1 111 MET -0.65 0.19 1 113 TRP -3.49 0.96 1 115 VAL -2.04 0.28 1 118 PHE -6.15 0.87 1 119 THR -3.97 0.34 1 120 GLN 3.76 -0.24 1 122 GLN 3.78 -0.42 1 123 LEU 3.69 -0.46 1 124 LEU 3.66 -0.17 1 125 ALA 5.18 -0.25 1 126 VAL 4.19 -0.50 1 127 ILE 3.82 -0.30 1 128 LYS 2.94 -0.18 1 129 LYS 2.13 0.03 1 130 VAL -0.07 0.23 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26769_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.15 _LACS_plot.Line_1_terminator_val_y_1 -3.22 _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 -1.26 _LACS_plot.Line_2_terminator_val_x_2 7.17 _LACS_plot.Line_2_terminator_val_y_2 3.00 _LACS_plot.Y_axis_chem_shift_offset 0.30 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 69 ASN 7.18 0.60 0 34 ARG 4.94 5.53 0 13 SER -0.16 -0.36 1 14 ARG -1.82 -0.85 1 15 THR -0.19 -0.50 1 16 VAL -4.07 -2.86 1 17 LEU -4.30 -4.70 1 18 ALA -3.19 -3.58 1 19 VAL -1.12 -2.20 1 20 ASP -1.04 -1.50 1 21 ASP 1.91 0.00 1 22 SER -1.49 0.87 1 24 SER 4.51 2.88 1 25 VAL 4.78 1.62 1 26 ARG 5.51 1.61 1 27 SER 4.13 1.92 1 28 MET 4.75 3.36 1 29 VAL 5.46 0.73 1 30 ALA 4.09 1.48 1 31 MET 4.34 2.52 1 32 THR 6.39 2.08 1 33 LEU 3.97 1.64 1 35 GLU 3.17 0.73 1 36 ALA -0.84 -1.18 1 38 TYR 0.46 0.06 1 39 ARG -0.21 -0.84 1 40 VAL -3.63 -0.42 1 41 ILE -3.31 -2.21 1 42 GLU -5.61 -1.51 1 43 ALA -5.95 -1.63 1 44 THR 0.54 -1.41 1 45 ASP -0.75 0.41 1 47 ARG 4.19 2.33 1 48 GLU 1.46 2.65 1 50 LEU 3.56 -0.57 1 51 GLU 3.29 4.34 1 52 LYS 3.27 1.30 1 53 ALA 2.91 -0.17 1 54 LEU 0.15 0.60 1 55 SER -0.28 -0.91 1 56 GLU -2.04 -1.29 1 58 VAL -3.17 -2.03 1 59 ASP -0.80 -0.95 1 60 ALA -4.93 -3.32 1 61 ILE -4.75 -2.82 1 62 ILE -3.27 -2.34 1 63 THR -4.57 -4.46 1 64 ASP -5.10 -1.37 1 65 GLN 2.44 1.37 1 70 LEU -1.09 -3.45 1 71 ASP -0.75 -1.31 1 73 LEU 4.36 1.66 1 75 PHE 3.35 0.11 1 76 ILE 6.50 1.26 1 77 ARG 4.62 2.76 1 78 ALA 2.34 3.33 1 79 PHE 2.41 1.78 1 80 ARG 2.91 0.42 1 81 GLU 0.58 0.28 1 84 GLU 3.59 -0.09 1 85 SER 1.01 1.51 1 86 LYS 3.44 1.27 1 88 LYS -0.59 -0.73 1 90 ILE -4.67 -1.02 1 91 ILE -2.39 -3.96 1 92 PHE -4.29 -3.26 1 93 LEU -3.76 -3.88 1 94 SER -3.93 0.81 1 95 THR 1.11 -0.43 1 96 ASP -3.19 -0.74 1 97 SER -0.24 -0.42 1 98 ALA 0.36 0.43 1 100 THR 4.69 1.76 1 101 LEU 2.48 -0.10 1 102 LYS 4.57 2.43 1 103 GLN 4.62 2.26 1 104 GLN 3.80 3.17 1 105 ALA 5.22 1.09 1 106 ARG 4.21 4.56 1 107 GLU 3.08 1.50 1 108 ALA 0.98 -1.07 1 110 ALA -0.24 -1.59 1 111 MET -0.65 0.54 1 113 TRP -3.49 -2.32 1 114 MET -5.38 -3.78 1 115 VAL -2.04 -0.52 1 116 LYS -0.28 0.13 1 118 PHE -6.15 -1.16 1 119 THR -3.97 0.82 1 120 GLN 3.76 2.59 1 122 GLN 3.78 0.12 1 123 LEU 3.69 1.06 1 124 LEU 3.66 3.05 1 125 ALA 5.18 1.32 1 126 VAL 4.19 1.02 1 127 ILE 3.82 2.09 1 128 LYS 2.94 1.85 1 129 LYS 2.13 -0.06 1 130 VAL -0.07 -0.69 1 stop_ save_