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 bmr26637_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -0.98 _LACS_plot.Line_1_terminator_val_y_1 -0.46 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.31 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.46 _LACS_plot.Line_2_terminator_val_x_2 7.09 _LACS_plot.Line_2_terminator_val_y_2 5.66 _LACS_plot.Y_axis_chem_shift_offset -0.11 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 47 PHE 0.80 2.18 0 10 LYS 3.42 2.88 1 11 LYS 2.29 1.80 1 12 ASP 2.17 1.36 1 13 PHE 0.95 0.60 1 15 LEU 0.83 0.69 1 17 SER 0.73 0.70 1 18 ILE 1.23 1.01 1 19 ALA 0.10 0.35 1 20 THR 0.23 0.20 1 21 GLN 0.01 0.10 1 22 GLN 0.12 0.19 1 24 GLU 0.65 0.34 1 25 SER -0.12 0.19 1 26 ASN 0.18 0.29 1 27 ILE 1.30 1.28 1 28 LEU 0.36 -0.01 1 29 ASP 0.33 -0.15 1 30 ILE -0.88 -0.06 1 31 ASP -0.33 -0.46 1 32 LEU -0.61 -0.48 1 33 ARG 0.73 0.68 1 35 ALA 1.58 1.40 1 36 SER 1.47 1.28 1 37 ALA 2.71 2.17 1 38 TRP 2.28 1.97 1 39 THR 4.48 3.83 1 40 LEU 3.82 3.00 1 41 TYR 4.15 3.84 1 42 ALA 3.84 2.74 1 43 VAL 5.02 4.00 1 44 ALA 3.87 3.28 1 45 THR 4.54 3.77 1 46 THR 4.46 3.82 1 48 ILE 5.32 4.72 1 51 MET 3.44 3.08 1 52 LEU 2.94 2.46 1 53 ARG 4.48 3.38 1 54 HIS 3.34 2.93 1 55 SER 3.45 3.35 1 56 ILE 2.55 2.35 1 57 GLU 1.84 1.64 1 58 ASN 0.29 0.55 1 59 SER 0.46 0.88 1 60 SER 0.77 0.72 1 61 VAL 0.96 0.65 1 62 ASN 0.56 0.71 1 63 VAL 0.27 0.33 1 64 SER -0.98 -0.69 1 65 LEU 3.86 2.90 1 66 THR 5.55 4.44 1 67 ALA 3.30 2.66 1 68 ILE 4.65 3.76 1 69 ALA 3.89 2.93 1 70 ASN 3.24 2.97 1 71 GLN 3.09 2.13 1 72 ALA 3.72 2.98 1 73 THR 5.66 4.61 1 74 VAL 4.72 3.59 1 75 LEU 2.92 2.51 1 76 MET 2.33 2.45 1 78 LEU 1.41 1.26 1 80 LYS 1.45 0.91 1 82 TRP -0.75 -0.26 1 84 LEU 1.20 0.99 1 85 SER 1.26 1.21 1 86 LYS 0.85 0.30 1 87 MET -0.30 0.44 1 88 ASP -0.06 -0.15 1 89 ILE 0.53 0.62 1 91 VAL 5.37 4.02 1 93 LEU 2.53 2.08 1 94 LEU 1.71 1.40 1 95 ALA 1.45 1.18 1 96 ILE 2.40 2.01 1 99 TYR 1.57 1.29 1 100 SER 1.34 1.35 1 101 GLN 0.66 0.40 1 102 VAL 0.15 -0.14 1 103 ASN -0.75 -0.24 1 105 ILE 4.11 2.68 1 106 THR 3.99 2.96 1 107 LEU 3.32 3.05 1 108 THR 7.09 5.70 1 109 ALA 3.94 3.02 1 110 ALA 3.68 2.77 1 111 LEU 3.67 3.01 1 112 LEU 4.16 3.09 1 113 LEU 3.38 3.00 1 114 LEU 3.64 3.54 1 115 VAL 5.85 4.54 1 116 ALA 3.07 2.29 1 117 HIS 3.15 2.84 1 118 TYR 2.82 2.85 1 119 ALA 1.81 1.39 1 120 ILE 1.47 1.28 1 121 ILE 1.17 1.06 1 125 LEU 1.37 1.15 1 126 GLU 1.36 1.03 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26637_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -0.98 _LACS_plot.Line_1_terminator_val_y_1 0.52 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.69 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.54 _LACS_plot.Line_2_terminator_val_x_2 7.09 _LACS_plot.Line_2_terminator_val_y_2 -1.43 _LACS_plot.Y_axis_chem_shift_offset -0.11 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 47 PHE 0.80 1.38 0 10 LYS 3.42 -0.54 1 11 LYS 2.29 -0.49 1 12 ASP 2.17 -0.81 1 13 PHE 0.95 -0.35 1 15 LEU 0.83 -0.14 1 17 SER 0.73 -0.03 1 18 ILE 1.23 -0.22 1 19 ALA 0.10 0.25 1 20 THR 0.23 -0.03 1 21 GLN 0.01 0.09 1 22 GLN 0.12 0.07 1 24 GLU 0.65 -0.31 1 25 SER -0.12 0.31 1 26 ASN 0.18 0.11 1 27 ILE 1.30 -0.02 1 28 LEU 0.36 -0.37 1 29 ASP 0.33 -0.48 1 30 ILE -0.88 0.82 1 31 ASP -0.33 -0.13 1 32 LEU -0.61 0.13 1 33 ARG 0.73 -0.05 1 35 ALA 1.58 -0.18 1 36 SER 1.47 -0.19 1 37 ALA 2.71 -0.54 1 38 TRP 2.28 -0.31 1 39 THR 4.48 -0.65 1 40 LEU 3.82 -0.82 1 41 TYR 4.15 -0.31 1 42 ALA 3.84 -1.10 1 43 VAL 5.02 -1.02 1 44 ALA 3.87 -0.59 1 45 THR 4.54 -0.77 1 46 THR 4.46 -0.64 1 48 ILE 5.32 -0.60 1 51 MET 3.44 -0.36 1 52 LEU 2.94 -0.48 1 53 ARG 4.48 -1.10 1 54 HIS 3.34 -0.41 1 55 SER 3.45 -0.10 1 56 ILE 2.55 -0.20 1 57 GLU 1.84 -0.20 1 58 ASN 0.29 0.26 1 59 SER 0.46 0.42 1 60 SER 0.77 -0.05 1 61 VAL 0.96 -0.31 1 62 ASN 0.56 0.15 1 63 VAL 0.27 0.06 1 64 SER -0.98 0.29 1 65 LEU 3.86 -0.96 1 66 THR 5.55 -1.11 1 67 ALA 3.30 -0.64 1 68 ILE 4.65 -0.89 1 69 ALA 3.89 -0.96 1 70 ASN 3.24 -0.27 1 71 GLN 3.09 -0.96 1 72 ALA 3.72 -0.74 1 73 THR 5.66 -1.05 1 74 VAL 4.72 -1.13 1 75 LEU 2.92 -0.41 1 76 MET 2.33 0.12 1 78 LEU 1.41 -0.15 1 80 LYS 1.45 -0.54 1 82 TRP -0.75 0.49 1 84 LEU 1.20 -0.21 1 85 SER 1.26 -0.05 1 86 LYS 0.85 -0.55 1 87 MET -0.30 0.74 1 88 ASP -0.06 -0.09 1 89 ILE 0.53 0.09 1 91 VAL 5.37 -1.35 1 93 LEU 2.53 -0.45 1 94 LEU 1.71 -0.31 1 95 ALA 1.45 -0.27 1 96 ILE 2.40 -0.39 1 99 TYR 1.57 -0.28 1 100 SER 1.34 0.01 1 101 GLN 0.66 -0.26 1 102 VAL 0.15 -0.29 1 103 ASN -0.75 0.51 1 105 ILE 4.11 -1.43 1 106 THR 3.99 -1.03 1 107 LEU 3.32 -0.27 1 108 THR 7.09 -1.39 1 109 ALA 3.94 -0.92 1 110 ALA 3.68 -0.91 1 111 LEU 3.67 -0.66 1 112 LEU 4.16 -1.07 1 113 LEU 3.38 -0.38 1 114 LEU 3.64 -0.10 1 115 VAL 5.85 -1.31 1 116 ALA 3.07 -0.78 1 117 HIS 3.15 -0.31 1 118 TYR 2.82 0.03 1 119 ALA 1.81 -0.42 1 120 ILE 1.47 -0.19 1 121 ILE 1.17 -0.11 1 125 LEU 1.37 -0.22 1 126 GLU 1.36 -0.33 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26637_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -0.98 _LACS_plot.Line_1_terminator_val_y_1 0.08 _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 0.16 _LACS_plot.Line_2_terminator_val_x_2 7.09 _LACS_plot.Line_2_terminator_val_y_2 -0.50 _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 41 TYR 4.15 -0.50 0 10 LYS 3.42 -0.32 1 11 LYS 2.29 -0.17 1 12 ASP 2.17 -0.15 1 13 PHE 0.95 -0.05 1 15 LEU 0.83 -0.05 1 17 SER 0.73 0.00 1 18 ILE 1.23 -0.04 1 19 ALA 0.10 0.06 1 20 THR 0.23 -0.02 1 21 GLN 0.01 0.03 1 22 GLN 0.12 -0.04 1 24 GLU 0.65 -0.09 1 25 SER -0.12 -0.03 1 26 ASN 0.18 0.04 1 27 ILE 1.30 -0.09 1 28 LEU 0.36 -0.02 1 29 ASP 0.33 0.05 1 30 ILE -0.88 -0.01 1 31 ASP -0.33 0.05 1 32 LEU -0.61 0.03 1 33 ARG 0.73 -0.04 1 35 ALA 1.58 -0.12 1 36 SER 1.47 -0.04 1 37 ALA 2.71 -0.22 1 38 TRP 2.28 -0.07 1 39 THR 4.48 -0.22 1 40 LEU 3.82 -0.30 1 42 ALA 3.84 -0.24 1 43 VAL 5.02 -0.29 1 44 ALA 3.87 -0.25 1 45 THR 4.54 -0.30 1 46 THR 4.46 -0.27 1 47 PHE 0.80 0.05 1 48 ILE 5.32 -0.40 1 51 MET 3.44 -0.20 1 52 LEU 2.94 -0.22 1 53 ARG 4.48 -0.38 1 54 HIS 3.34 -0.20 1 55 SER 3.45 -0.13 1 56 ILE 2.55 -0.17 1 57 GLU 1.84 -0.18 1 58 ASN 0.29 0.02 1 59 SER 0.46 0.01 1 60 SER 0.77 0.03 1 61 VAL 0.96 -0.05 1 62 ASN 0.56 -0.01 1 63 VAL 0.27 0.00 1 64 SER -0.98 0.20 1 65 LEU 3.86 -0.24 1 66 THR 5.55 -0.46 1 67 ALA 3.30 -0.08 1 68 ILE 4.65 -0.40 1 69 ALA 3.89 -0.35 1 70 ASN 3.24 -0.22 1 71 GLN 3.09 -0.06 1 72 ALA 3.72 -0.30 1 73 THR 5.66 -0.41 1 74 VAL 4.72 -0.30 1 75 LEU 2.92 -0.23 1 76 MET 2.33 -0.29 1 78 LEU 1.41 -0.10 1 80 LYS 1.45 -0.08 1 82 TRP -0.75 -0.08 1 84 LEU 1.20 -0.07 1 85 SER 1.26 -0.10 1 86 LYS 0.85 0.02 1 87 MET -0.30 -0.06 1 88 ASP -0.06 0.07 1 89 ILE 0.53 -0.01 1 91 VAL 5.37 -0.29 1 93 LEU 2.53 -0.20 1 94 LEU 1.71 -0.10 1 95 ALA 1.45 -0.03 1 96 ILE 2.40 -0.16 1 99 TYR 1.57 -0.07 1 100 SER 1.34 -0.17 1 101 GLN 0.66 0.02 1 102 VAL 0.15 -0.06 1 103 ASN -0.75 -0.05 1 105 ILE 4.11 -0.25 1 106 THR 3.99 -0.26 1 107 LEU 3.32 -0.19 1 108 THR 7.09 -0.58 1 109 ALA 3.94 -0.26 1 110 ALA 3.68 -0.21 1 111 LEU 3.67 -0.25 1 112 LEU 4.16 -0.30 1 113 LEU 3.38 -0.25 1 114 LEU 3.64 -0.20 1 115 VAL 5.85 -0.40 1 116 ALA 3.07 -0.16 1 117 HIS 3.15 -0.29 1 118 TYR 2.82 -0.23 1 119 ALA 1.81 -0.18 1 120 ILE 1.47 -0.06 1 121 ILE 1.17 -0.04 1 125 LEU 1.37 -0.10 1 126 GLU 1.36 -0.21 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26637_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -0.98 _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 0.57 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.31 _LACS_plot.Line_2_terminator_val_x_2 7.09 _LACS_plot.Line_2_terminator_val_y_2 2.95 _LACS_plot.Y_axis_chem_shift_offset 0.39 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 108 THR 7.09 1.15 0 10 LYS 3.42 1.07 1 11 LYS 2.29 1.25 1 12 ASP 2.17 0.46 1 13 PHE 0.95 -0.43 1 15 LEU 0.83 0.11 1 17 SER 0.73 0.45 1 18 ILE 1.23 -0.57 1 19 ALA 0.10 -0.17 1 20 THR 0.23 -0.12 1 21 GLN 0.01 -0.57 1 22 GLN 0.12 -0.22 1 24 GLU 0.65 -0.20 1 25 SER -0.12 -0.55 1 26 ASN 0.18 0.55 1 27 ILE 1.30 -1.02 1 28 LEU 0.36 -1.17 1 29 ASP 0.33 -0.63 1 30 ILE -0.88 -1.54 1 31 ASP -0.33 -0.76 1 32 LEU -0.61 -1.65 1 33 ARG 0.73 0.28 1 35 ALA 1.58 0.97 1 36 SER 1.47 0.70 1 37 ALA 2.71 0.53 1 38 TRP 2.28 2.22 1 39 THR 4.48 -0.02 1 40 LEU 3.82 0.53 1 41 TYR 4.15 1.57 1 42 ALA 3.84 2.96 1 43 VAL 5.02 2.24 1 44 ALA 3.87 1.91 1 45 THR 4.54 1.96 1 46 THR 4.46 0.29 1 47 PHE 0.80 0.51 1 51 MET 3.44 2.33 1 52 LEU 2.94 0.86 1 53 ARG 4.48 1.63 1 54 HIS 3.34 2.37 1 55 SER 3.45 0.96 1 56 ILE 2.55 1.29 1 57 GLU 1.84 0.63 1 58 ASN 0.29 -0.12 1 59 SER 0.46 0.07 1 60 SER 0.77 0.06 1 61 VAL 0.96 -0.96 1 62 ASN 0.56 -0.16 1 63 VAL 0.27 -1.22 1 64 SER -0.98 0.73 1 65 LEU 3.86 1.13 1 66 THR 5.55 1.39 1 67 ALA 3.30 2.85 1 68 ILE 4.65 0.95 1 69 ALA 3.89 1.95 1 70 ASN 3.24 2.55 1 71 GLN 3.09 2.00 1 72 ALA 3.72 0.94 1 73 THR 5.66 2.43 1 74 VAL 4.72 2.45 1 75 LEU 2.92 0.74 1 76 MET 2.33 1.38 1 78 LEU 1.41 0.60 1 80 LYS 1.45 0.29 1 82 TRP -0.75 0.60 1 84 LEU 1.20 -0.22 1 85 SER 1.26 0.36 1 86 LYS 0.85 -0.18 1 87 MET -0.30 -1.17 1 88 ASP -0.06 -0.06 1 89 ILE 0.53 -0.80 1 93 LEU 2.53 0.71 1 94 LEU 1.71 0.45 1 95 ALA 1.45 0.73 1 96 ILE 2.40 0.78 1 99 TYR 1.57 0.04 1 100 SER 1.34 -0.06 1 101 GLN 0.66 -0.31 1 102 VAL 0.15 -2.10 1 103 ASN -0.75 0.57 1 105 ILE 4.11 0.96 1 106 THR 3.99 2.09 1 107 LEU 3.32 0.45 1 109 ALA 3.94 1.97 1 110 ALA 3.68 1.95 1 111 LEU 3.67 1.10 1 112 LEU 4.16 1.96 1 113 LEU 3.38 1.97 1 114 LEU 3.64 1.54 1 115 VAL 5.85 1.44 1 116 ALA 3.07 1.51 1 117 HIS 3.15 1.72 1 118 TYR 2.82 0.09 1 119 ALA 1.81 -0.05 1 120 ILE 1.47 0.00 1 121 ILE 1.17 -0.03 1 125 LEU 1.37 0.27 1 126 GLU 1.36 0.33 1 stop_ save_