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 bmr18672_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -1.03 _LACS_plot.Line_1_terminator_val_y_1 -0.89 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.44 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.64 _LACS_plot.Line_2_terminator_val_x_2 9.73 _LACS_plot.Line_2_terminator_val_y_2 7.44 _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 12 SER 3.02 14.89 0 14 LEU -0.04 -0.08 1 15 VAL -0.15 -0.37 1 17 ARG 0.42 0.25 1 19 SER 0.27 0.16 1 21 MET 0.37 0.05 1 22 ILE 0.12 -0.04 1 23 SER -0.40 -0.44 1 24 LEU 0.56 0.24 1 25 SER 0.59 0.44 1 27 LEU 0.17 0.06 1 28 THR -0.26 -0.38 1 29 SER -0.09 -0.20 1 30 SER -0.07 -0.06 1 31 VAL 0.70 0.18 1 32 GLU 0.32 0.32 1 33 SER -0.03 0.09 1 34 ASP 0.98 0.58 1 35 LEU 1.36 0.97 1 36 ASP 1.36 0.90 1 37 MET 1.90 1.17 1 38 GLN 2.56 1.75 1 39 GLN 2.01 1.22 1 40 ALA 1.48 0.96 1 41 MET 1.55 0.97 1 42 LEU 0.58 0.47 1 43 THR 0.08 0.17 1 44 ASN 1.01 0.34 1 45 LYS 0.75 -0.04 1 46 ASP -0.63 0.35 1 47 GLU 3.31 2.76 1 48 LYS 6.45 2.96 1 49 VAL 5.21 3.93 1 50 LEU 4.66 3.03 1 51 LYS 3.60 2.12 1 52 ALA 3.36 2.25 1 53 LEU 2.36 0.53 1 54 GLU 3.58 3.03 1 55 ARG 4.04 2.01 1 56 THR 9.29 5.04 1 57 ARG 4.37 3.80 1 58 GLN 3.99 2.63 1 59 LEU -0.83 -1.23 1 60 ASP 3.58 1.26 1 61 ILE -0.52 -0.17 1 63 ASP 4.67 3.31 1 64 GLU 3.61 2.23 1 65 LYS 1.65 0.93 1 66 THR 5.71 4.42 1 67 MET 9.73 4.96 1 69 VAL 4.85 3.13 1 70 LEU 3.75 3.15 1 71 MET 3.74 2.46 1 72 LYS 3.81 2.81 1 73 LEU 2.92 2.33 1 74 LEU 3.09 2.63 1 75 GLU 3.58 2.79 1 76 GLU 2.67 2.24 1 77 ALA -1.03 -1.24 1 80 ASN -0.11 -0.78 1 81 TRP 3.14 3.03 1 82 SER 4.34 4.23 1 83 TYR 2.30 1.66 1 84 ILE 3.93 3.05 1 85 LYS -0.03 0.58 1 86 LEU 1.28 0.97 1 87 ASP 3.55 0.61 1 88 ASN 2.59 0.13 1 89 TYR 4.83 0.26 1 90 THR 7.12 6.65 1 91 ALA 3.12 2.43 1 92 LEU 1.64 1.92 1 93 VAL 6.60 5.27 1 94 ASP 4.14 2.99 1 95 ALA 2.86 2.37 1 96 ILE 4.95 4.38 1 97 TYR 2.65 0.77 1 98 SER 2.52 2.00 1 99 VAL 2.72 1.65 1 100 GLU 0.40 0.47 1 101 ASP 0.94 0.89 1 102 GLU 1.06 0.85 1 103 ASN 0.86 0.39 1 104 LYS 0.95 0.37 1 105 GLN 0.34 0.22 1 106 SER 0.04 0.00 1 107 GLU -0.03 0.18 1 109 SER 0.27 1.26 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18672_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -1.03 _LACS_plot.Line_1_terminator_val_y_1 0.14 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.56 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.36 _LACS_plot.Line_2_terminator_val_x_2 9.73 _LACS_plot.Line_2_terminator_val_y_2 -2.29 _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 12 SER 3.02 11.87 0 14 LEU -0.04 -0.04 1 15 VAL -0.15 -0.22 1 17 ARG 0.42 -0.17 1 19 SER 0.27 -0.11 1 21 MET 0.37 -0.32 1 22 ILE 0.12 -0.16 1 23 SER -0.40 -0.04 1 24 LEU 0.56 -0.32 1 25 SER 0.59 -0.15 1 27 LEU 0.17 -0.11 1 28 THR -0.26 -0.12 1 29 SER -0.09 -0.11 1 30 SER -0.07 0.01 1 31 VAL 0.70 -0.52 1 32 GLU 0.32 0.00 1 33 SER -0.03 0.12 1 34 ASP 0.98 -0.40 1 35 LEU 1.36 -0.39 1 36 ASP 1.36 -0.46 1 37 MET 1.90 -0.73 1 38 GLN 2.56 -0.81 1 39 GLN 2.01 -0.79 1 40 ALA 1.48 -0.52 1 41 MET 1.55 -0.58 1 42 LEU 0.58 -0.11 1 43 THR 0.08 0.09 1 44 ASN 1.01 -0.67 1 45 LYS 0.75 -0.79 1 46 ASP -0.63 0.98 1 47 GLU 3.31 -0.55 1 48 LYS 6.45 -3.49 1 49 VAL 5.21 -1.28 1 50 LEU 4.66 -1.63 1 51 LYS 3.60 -1.48 1 52 ALA 3.36 -1.11 1 53 LEU 2.36 -1.83 1 54 GLU 3.58 -0.55 1 55 ARG 4.04 -2.03 1 56 THR 9.29 -4.25 1 57 ARG 4.37 -0.57 1 58 GLN 3.99 -1.36 1 59 LEU -0.83 -0.40 1 60 ASP 3.58 -2.32 1 61 ILE -0.52 0.35 1 63 ASP 4.67 -1.36 1 64 GLU 3.61 -1.38 1 65 LYS 1.65 -0.72 1 66 THR 5.71 -1.29 1 67 MET 9.73 -4.77 1 69 VAL 4.85 -1.72 1 70 LEU 3.75 -0.60 1 71 MET 3.74 -1.28 1 72 LYS 3.81 -1.00 1 73 LEU 2.92 -0.59 1 74 LEU 3.09 -0.46 1 75 GLU 3.58 -0.79 1 76 GLU 2.67 -0.43 1 77 ALA -1.03 -0.21 1 80 ASN -0.11 -0.67 1 81 TRP 3.14 -0.11 1 82 SER 4.34 -0.11 1 83 TYR 2.30 -0.64 1 84 ILE 3.93 -0.88 1 85 LYS -0.03 0.61 1 86 LEU 1.28 -0.31 1 87 ASP 3.55 -2.94 1 88 ASN 2.59 -2.46 1 89 TYR 4.83 -4.57 1 90 THR 7.12 -0.47 1 91 ALA 3.12 -0.69 1 92 LEU 1.64 0.28 1 93 VAL 6.60 -1.33 1 94 ASP 4.14 -1.15 1 95 ALA 2.86 -0.49 1 96 ILE 4.95 -0.57 1 97 TYR 2.65 -1.88 1 98 SER 2.52 -0.52 1 99 VAL 2.72 -1.07 1 100 GLU 0.40 0.07 1 101 ASP 0.94 -0.05 1 102 GLU 1.06 -0.21 1 103 ASN 0.86 -0.47 1 104 LYS 0.95 -0.58 1 105 GLN 0.34 -0.12 1 106 SER 0.04 -0.04 1 107 GLU -0.03 0.21 1 109 SER 0.27 0.99 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18672_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -1.03 _LACS_plot.Line_1_terminator_val_y_1 0.09 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.18 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.16 _LACS_plot.Line_2_terminator_val_x_2 9.73 _LACS_plot.Line_2_terminator_val_y_2 -0.84 _LACS_plot.Y_axis_chem_shift_offset 0.01 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 52 ALA 3.36 -1.42 0 85 LYS -0.03 -1.15 0 12 SER 3.02 -0.08 1 14 LEU -0.04 0.01 1 15 VAL -0.15 -0.06 1 17 ARG 0.42 -0.04 1 19 SER 0.27 -0.12 1 21 MET 0.37 -0.04 1 22 ILE 0.12 0.01 1 23 SER -0.40 0.01 1 24 LEU 0.56 0.03 1 25 SER 0.59 -0.08 1 27 LEU 0.17 0.07 1 28 THR -0.26 0.05 1 29 SER -0.09 0.03 1 30 SER -0.07 0.04 1 31 VAL 0.70 0.02 1 32 GLU 0.32 -0.08 1 33 SER -0.03 -0.03 1 34 ASP 0.98 -0.06 1 35 LEU 1.36 -0.14 1 36 ASP 1.36 -0.12 1 37 MET 1.90 -0.11 1 38 GLN 2.56 -0.17 1 39 GLN 2.01 -0.17 1 40 ALA 1.48 -0.10 1 41 MET 1.55 -0.11 1 42 LEU 0.58 0.03 1 43 THR 0.08 0.01 1 44 ASN 1.01 -0.21 1 45 LYS 0.75 -0.12 1 46 ASP -0.63 -0.17 1 47 GLU 3.31 -0.43 1 48 LYS 6.45 -0.74 1 49 VAL 5.21 -0.49 1 50 LEU 4.66 -0.44 1 51 LYS 3.60 -0.35 1 53 LEU 2.36 0.23 1 54 GLU 3.58 -0.50 1 55 ARG 4.04 -0.17 1 56 THR 9.29 -0.59 1 57 ARG 4.37 -0.20 1 58 GLN 3.99 -0.19 1 59 LEU -0.83 0.10 1 60 ASP 3.58 -0.36 1 61 ILE -0.52 -0.04 1 63 ASP 4.67 -0.43 1 64 GLU 3.61 -0.27 1 65 LYS 1.65 0.05 1 66 THR 5.71 -0.74 1 67 MET 9.73 -0.31 1 69 VAL 4.85 -0.52 1 70 LEU 3.75 -0.51 1 71 MET 3.74 -0.35 1 72 LYS 3.81 -0.19 1 73 LEU 2.92 -0.33 1 74 LEU 3.09 -0.74 1 75 GLU 3.58 -0.35 1 76 GLU 2.67 -0.35 1 77 ALA -1.03 0.11 1 80 ASN -0.11 0.07 1 81 TRP 3.14 -0.62 1 82 SER 4.34 -0.47 1 83 TYR 2.30 -0.23 1 84 ILE 3.93 -0.87 1 86 LEU 1.28 -0.46 1 87 ASP 3.55 -0.37 1 88 ASN 2.59 -0.34 1 89 TYR 4.83 0.30 1 90 THR 7.12 -0.52 1 91 ALA 3.12 -0.23 1 92 LEU 1.64 -0.26 1 93 VAL 6.60 -0.96 1 94 ASP 4.14 -0.23 1 95 ALA 2.86 -0.13 1 96 ILE 4.95 -0.54 1 97 TYR 2.65 0.00 1 98 SER 2.52 -0.05 1 99 VAL 2.72 -0.09 1 100 GLU 0.40 -0.11 1 101 ASP 0.94 -0.09 1 102 GLU 1.06 -0.17 1 103 ASN 0.86 -0.06 1 104 LYS 0.95 -0.04 1 105 GLN 0.34 0.01 1 106 SER 0.04 -0.03 1 107 GLU -0.03 -0.02 1 109 SER 0.27 -0.19 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18672_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -1.03 _LACS_plot.Line_1_terminator_val_y_1 -0.29 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.74 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.71 _LACS_plot.Line_2_terminator_val_x_2 9.73 _LACS_plot.Line_2_terminator_val_y_2 3.57 _LACS_plot.Y_axis_chem_shift_offset -0.04 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 67 MET 9.73 0.05 0 17 ARG 0.42 0.58 1 19 SER 0.27 -0.42 1 21 MET 0.37 -0.42 1 22 ILE 0.12 -0.50 1 23 SER -0.40 0.03 1 24 LEU 0.56 -0.02 1 25 SER 0.59 0.41 1 27 LEU 0.17 0.04 1 28 THR -0.26 -0.28 1 29 SER -0.09 -0.19 1 30 SER -0.07 -0.14 1 31 VAL 0.70 0.01 1 32 GLU 0.32 -0.04 1 33 SER -0.03 -0.18 1 34 ASP 0.98 0.31 1 35 LEU 1.36 0.20 1 36 ASP 1.36 1.00 1 37 MET 1.90 0.65 1 38 GLN 2.56 1.25 1 39 GLN 2.01 0.94 1 40 ALA 1.48 0.57 1 41 MET 1.55 0.38 1 42 LEU 0.58 0.02 1 43 THR 0.08 -0.23 1 44 ASN 1.01 -0.22 1 45 LYS 0.75 -0.58 1 46 ASP -0.63 0.66 1 47 GLU 3.31 1.21 1 48 LYS 6.45 2.90 1 49 VAL 5.21 1.00 1 50 LEU 4.66 1.81 1 51 LYS 3.60 2.13 1 52 ALA 3.36 0.68 1 53 LEU 2.36 1.82 1 54 GLU 3.58 1.18 1 55 ARG 4.04 2.49 1 56 THR 9.29 4.28 1 57 ARG 4.37 4.98 1 58 GLN 3.99 1.21 1 59 LEU -0.83 -2.01 1 60 ASP 3.58 -0.69 1 61 ILE -0.52 0.68 1 63 ASP 4.67 0.88 1 64 GLU 3.61 1.32 1 65 LYS 1.65 1.05 1 66 THR 5.71 1.74 1 69 VAL 4.85 0.88 1 70 LEU 3.75 0.11 1 71 MET 3.74 2.63 1 72 LYS 3.81 1.92 1 73 LEU 2.92 2.25 1 74 LEU 3.09 1.57 1 75 GLU 3.58 4.12 1 76 GLU 2.67 1.11 1 77 ALA -1.03 0.81 1 80 ASN -0.11 0.14 1 81 TRP 3.14 1.91 1 82 SER 4.34 1.24 1 83 TYR 2.30 0.37 1 84 ILE 3.93 -0.99 1 85 LYS -0.03 0.92 1 86 LEU 1.28 -0.26 1 87 ASP 3.55 1.02 1 89 TYR 4.83 0.97 1 90 THR 7.12 0.05 1 91 ALA 3.12 2.89 1 92 LEU 1.64 -1.30 1 93 VAL 6.60 1.04 1 94 ASP 4.14 3.11 1 95 ALA 2.86 2.51 1 96 ILE 4.95 2.09 1 97 TYR 2.65 1.86 1 99 VAL 2.72 0.69 1 100 GLU 0.40 0.33 1 101 ASP 0.94 0.58 1 102 GLU 1.06 0.28 1 103 ASN 0.86 0.23 1 104 LYS 0.95 0.24 1 105 GLN 0.34 0.18 1 106 SER 0.04 -0.01 1 107 GLU -0.03 0.29 1 stop_ save_