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 bmr6236_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -2.78 _LACS_plot.Line_1_terminator_val_y_1 -1.26 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.04 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.29 _LACS_plot.Line_2_terminator_val_x_2 7.10 _LACS_plot.Line_2_terminator_val_y_2 5.21 _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 30 HIS 1.90 4.10 0 10 ARG 6.60 3.80 1 11 ARG 5.10 4.10 1 12 LEU 3.20 2.60 1 13 ALA 3.80 2.00 1 14 LEU 4.90 3.20 1 15 GLU 3.70 2.90 1 16 ASN 3.20 2.40 1 17 TYR 3.26 1.90 1 18 ILE 6.20 4.30 1 19 THR 5.70 4.60 1 20 ALA 3.10 2.40 1 21 LEU 1.90 2.00 1 22 GLN -0.00 -0.60 1 23 ALA 0.30 0.70 1 24 VAL -2.78 -0.88 1 27 ARG -2.50 -1.30 1 29 ARG 5.00 2.30 1 31 VAL 7.10 5.00 1 32 PHE 6.20 4.60 1 33 ASN 4.10 2.90 1 34 MET 0.40 1.00 1 35 LEU 4.90 3.40 1 36 LYS 5.60 4.00 1 37 LYS 3.90 3.40 1 38 TYR 4.90 3.10 1 39 VAL 6.00 4.40 1 40 ARG 4.41 2.82 1 41 ALA 4.90 2.90 1 42 GLU 2.53 2.08 1 43 GLN 4.10 2.70 1 44 LYS 4.20 2.90 1 45 ASP 3.00 2.70 1 46 ARG 5.80 4.80 1 47 GLN 4.30 3.40 1 48 HIS 4.10 5.20 1 49 THR 6.60 5.20 1 50 LEU 3.50 3.00 1 51 LYS 4.00 3.00 1 52 HIS 4.50 4.60 1 53 PHE 4.10 3.60 1 54 GLU 3.10 2.40 1 55 HIS 4.40 4.30 1 56 VAL 5.90 4.10 1 57 ARG 4.40 3.40 1 58 MET 2.20 2.20 1 59 VAL 0.90 0.80 1 60 ASP -0.80 -0.60 1 62 LYS 4.40 3.10 1 63 LYS 3.08 1.80 1 64 ALA 3.80 2.30 1 65 ALA 3.70 2.30 1 66 GLN 3.00 2.60 1 67 ILE 0.80 0.90 1 68 ARG 5.80 4.70 1 69 SER 5.70 3.70 1 70 GLN 4.70 3.50 1 71 VAL 5.90 4.40 1 72 MET 4.10 2.40 1 73 THR 6.30 5.10 1 74 HIS 4.30 4.30 1 75 LEU 4.30 3.00 1 76 ARG 4.60 3.40 1 77 VAL 6.12 4.50 1 78 ILE 5.00 4.80 1 79 TYR 4.10 3.30 1 80 GLU 3.20 2.80 1 81 ARG 4.30 3.70 1 82 MET 4.02 4.22 1 83 ASN 4.49 3.60 1 84 GLN 5.00 3.50 1 85 SER 5.30 3.70 1 86 LEU 4.10 2.50 1 87 SER 5.30 3.50 1 88 LEU 2.76 1.86 1 89 LEU 3.60 2.60 1 90 TYR 3.80 1.40 1 91 ASN 0.60 0.50 1 92 VAL 0.81 -0.60 1 94 ALA 2.80 2.30 1 95 VAL 3.70 2.70 1 96 ALA 4.30 3.40 1 97 GLU 2.60 2.40 1 98 GLU 1.30 1.70 1 99 ILE -0.90 -0.20 1 100 GLN 5.20 4.10 1 101 ASP 5.00 3.60 1 102 GLU 3.20 2.70 1 103 VAL 6.70 5.10 1 104 ASP 4.50 3.50 1 105 GLU 3.00 2.60 1 106 LEU 2.60 2.60 1 107 LEU 2.00 0.90 1 108 GLN 2.60 1.90 1 109 LYS 1.70 1.20 1 110 GLU 0.30 0.10 1 111 GLN 0.53 0.23 1 112 ASN 0.10 0.00 1 113 TYR 0.60 0.10 1 114 SER -0.40 -0.40 1 115 ASP -0.04 0.10 1 116 ASP 0.20 0.20 1 117 VAL 1.06 1.16 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6236_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -2.78 _LACS_plot.Line_1_terminator_val_y_1 1.52 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.96 _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 7.10 _LACS_plot.Line_2_terminator_val_y_2 -1.89 _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 30 HIS 1.90 2.20 0 10 ARG 6.60 -2.80 1 11 ARG 5.10 -1.00 1 12 LEU 3.20 -0.60 1 13 ALA 3.80 -1.80 1 14 LEU 4.90 -1.70 1 15 GLU 3.70 -0.80 1 16 ASN 3.20 -0.80 1 17 TYR 3.26 -1.36 1 18 ILE 6.20 -1.90 1 19 THR 5.70 -1.10 1 20 ALA 3.10 -0.70 1 21 LEU 1.90 0.10 1 22 GLN -0.00 -0.60 1 23 ALA 0.30 0.40 1 24 VAL -2.78 1.90 1 27 ARG -2.50 1.20 1 29 ARG 5.00 -2.70 1 31 VAL 7.10 -2.10 1 32 PHE 6.20 -1.60 1 33 ASN 4.10 -1.20 1 34 MET 0.40 0.60 1 35 LEU 4.90 -1.50 1 36 LYS 5.60 -1.60 1 37 LYS 3.90 -0.50 1 38 TYR 4.90 -1.80 1 39 VAL 6.00 -1.60 1 40 ARG 4.41 -1.59 1 41 ALA 4.90 -2.00 1 42 GLU 2.53 -0.45 1 43 GLN 4.10 -1.40 1 44 LYS 4.20 -1.30 1 45 ASP 3.00 -0.30 1 46 ARG 5.80 -1.00 1 47 GLN 4.30 -0.90 1 48 HIS 4.10 1.10 1 49 THR 6.60 -1.40 1 50 LEU 3.50 -0.50 1 51 LYS 4.00 -1.00 1 52 HIS 4.50 0.10 1 53 PHE 4.10 -0.50 1 54 GLU 3.10 -0.70 1 55 HIS 4.40 -0.10 1 56 VAL 5.90 -1.80 1 57 ARG 4.40 -1.00 1 58 MET 2.20 0.00 1 59 VAL 0.90 -0.10 1 60 ASP -0.80 0.20 1 62 LYS 4.40 -1.30 1 63 LYS 3.08 -1.28 1 64 ALA 3.80 -1.50 1 65 ALA 3.70 -1.40 1 66 GLN 3.00 -0.40 1 67 ILE 0.80 0.10 1 68 ARG 5.80 -1.10 1 69 SER 5.70 -2.00 1 70 GLN 4.70 -1.20 1 71 VAL 5.90 -1.50 1 72 MET 4.10 -1.70 1 73 THR 6.30 -1.20 1 74 HIS 4.30 0.00 1 75 LEU 4.30 -1.30 1 76 ARG 4.60 -1.20 1 77 VAL 6.12 -1.62 1 78 ILE 5.00 -0.20 1 79 TYR 4.10 -0.80 1 80 GLU 3.20 -0.40 1 81 ARG 4.30 -0.60 1 82 MET 4.02 0.20 1 83 ASN 4.49 -0.89 1 84 GLN 5.00 -1.50 1 85 SER 5.30 -1.60 1 86 LEU 4.10 -1.60 1 87 SER 5.30 -1.80 1 88 LEU 2.76 -0.90 1 89 LEU 3.60 -1.00 1 90 TYR 3.80 -2.40 1 91 ASN 0.60 -0.10 1 92 VAL 0.81 -1.41 1 94 ALA 2.80 -0.50 1 95 VAL 3.70 -1.00 1 96 ALA 4.30 -0.90 1 97 GLU 2.60 -0.20 1 98 GLU 1.30 0.40 1 99 ILE -0.90 0.70 1 100 GLN 5.20 -1.10 1 101 ASP 5.00 -1.40 1 102 GLU 3.20 -0.50 1 103 VAL 6.70 -1.60 1 104 ASP 4.50 -1.00 1 105 GLU 3.00 -0.40 1 106 LEU 2.60 0.00 1 107 LEU 2.00 -1.10 1 108 GLN 2.60 -0.70 1 109 LYS 1.70 -0.50 1 110 GLU 0.30 -0.20 1 111 GLN 0.53 -0.30 1 112 ASN 0.10 -0.10 1 113 TYR 0.60 -0.50 1 114 SER -0.40 0.00 1 115 ASP -0.04 0.14 1 116 ASP 0.20 0.00 1 117 VAL 1.06 0.10 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6236_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -2.78 _LACS_plot.Line_1_terminator_val_y_1 0.18 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.17 _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 7.10 _LACS_plot.Line_2_terminator_val_y_2 -0.55 _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 99 ILE -0.90 0.73 0 24 VAL -2.78 -0.17 0 10 ARG 6.60 -0.41 1 11 ARG 5.10 -0.37 1 12 LEU 3.20 -0.20 1 13 ALA 3.80 -0.08 1 14 LEU 4.90 -0.47 1 15 GLU 3.70 -0.42 1 16 ASN 3.20 -0.24 1 17 TYR 3.26 -0.26 1 18 ILE 6.20 -1.15 1 19 THR 5.70 -0.55 1 20 ALA 3.10 -0.08 1 21 LEU 1.90 -0.44 1 22 GLN -0.00 -0.13 1 23 ALA 0.30 -0.22 1 27 ARG -2.50 0.31 1 29 ARG 5.00 -0.23 1 30 HIS 1.90 -0.01 1 31 VAL 7.10 -0.87 1 32 PHE 6.20 -0.69 1 33 ASN 4.10 -0.51 1 34 MET 0.40 0.01 1 35 LEU 4.90 -0.83 1 36 LYS 5.60 -0.80 1 37 LYS 3.90 -0.38 1 38 TYR 4.90 -0.36 1 39 VAL 6.00 -1.22 1 40 ARG 4.41 -0.30 1 41 ALA 4.90 -0.21 1 42 GLU 2.53 0.37 1 43 GLN 4.10 -0.36 1 44 LYS 4.20 -0.23 1 45 ASP 3.00 -0.14 1 46 ARG 5.80 -0.71 1 47 GLN 4.30 -0.29 1 48 HIS 4.10 -0.42 1 49 THR 6.60 -0.46 1 50 LEU 3.50 -0.20 1 51 LYS 4.00 -0.25 1 52 HIS 4.50 -0.33 1 53 PHE 4.10 -0.53 1 54 GLU 3.10 -0.65 1 55 HIS 4.40 -0.41 1 56 VAL 5.90 -0.78 1 57 ARG 4.40 -1.01 1 58 MET 2.20 -0.35 1 59 VAL 0.90 0.02 1 60 ASP -0.80 -0.05 1 62 LYS 4.40 -0.18 1 63 LYS 3.08 -0.21 1 64 ALA 3.80 -0.39 1 65 ALA 3.70 -0.09 1 66 GLN 3.00 -0.08 1 67 ILE 0.80 0.54 1 68 ARG 5.80 -0.81 1 69 SER 5.70 -0.30 1 70 GLN 4.70 -0.16 1 71 VAL 5.90 -0.53 1 72 MET 4.10 -0.28 1 73 THR 6.30 -0.39 1 74 HIS 4.30 -0.37 1 75 LEU 4.30 -0.39 1 76 ARG 4.60 -0.20 1 77 VAL 6.12 -0.45 1 78 ILE 5.00 -0.62 1 79 TYR 4.10 -0.39 1 80 GLU 3.20 -0.35 1 81 ARG 4.30 -0.16 1 82 MET 4.02 0.16 1 83 ASN 4.49 -0.34 1 84 GLN 5.00 -0.22 1 85 SER 5.30 -0.27 1 86 LEU 4.10 -0.29 1 87 SER 5.30 -0.23 1 88 LEU 2.76 -0.33 1 89 LEU 3.60 -0.38 1 90 TYR 3.80 -0.47 1 91 ASN 0.60 0.07 1 92 VAL 0.81 0.21 1 94 ALA 2.80 -0.09 1 95 VAL 3.70 -0.29 1 96 ALA 4.30 -0.66 1 97 GLU 2.60 -0.30 1 98 GLU 1.30 -0.03 1 100 GLN 5.20 -0.44 1 101 ASP 5.00 -0.23 1 102 GLU 3.20 -0.37 1 103 VAL 6.70 -0.44 1 104 ASP 4.50 -0.24 1 105 GLU 3.00 -0.30 1 106 LEU 2.60 -0.12 1 107 LEU 2.00 -0.24 1 108 GLN 2.60 -0.18 1 109 LYS 1.70 -0.08 1 110 GLU 0.30 -0.10 1 111 GLN 0.53 -0.10 1 112 ASN 0.10 -0.11 1 113 TYR 0.60 -0.04 1 114 SER -0.40 -0.11 1 115 ASP -0.04 -0.02 1 116 ASP 0.20 -0.02 1 117 VAL 1.06 -0.13 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6236_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -2.78 _LACS_plot.Line_1_terminator_val_y_1 0.21 _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 0.39 _LACS_plot.Line_2_terminator_val_x_2 7.10 _LACS_plot.Line_2_terminator_val_y_2 2.48 _LACS_plot.Y_axis_chem_shift_offset -0.85 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 27 ARG -2.50 2.47 0 96 ALA 4.30 -4.00 0 10 ARG 6.60 3.07 1 11 ARG 5.10 1.03 1 12 LEU 3.20 1.17 1 13 ALA 3.80 0.41 1 14 LEU 4.90 3.97 1 15 GLU 3.70 1.21 1 16 ASN 3.20 4.28 1 17 TYR 3.26 2.32 1 18 ILE 6.20 -1.76 1 19 THR 5.70 3.94 1 20 ALA 3.10 -0.76 1 21 LEU 1.90 1.85 1 22 GLN -0.00 1.24 1 23 ALA 0.30 -1.65 1 24 VAL -2.78 0.47 1 29 ARG 5.00 1.02 1 30 HIS 1.90 4.17 1 31 VAL 7.10 1.10 1 32 PHE 6.20 1.85 1 33 ASN 4.10 0.59 1 34 MET 0.40 2.37 1 35 LEU 4.90 2.25 1 36 LYS 5.60 1.28 1 37 LYS 3.90 1.23 1 38 TYR 4.90 3.25 1 39 VAL 6.00 -1.01 1 40 ARG 4.41 1.84 1 41 ALA 4.90 0.40 1 42 GLU 2.53 4.50 1 43 GLN 4.10 3.73 1 44 LYS 4.20 2.47 1 45 ASP 3.00 2.77 1 46 ARG 5.80 2.74 1 47 GLN 4.30 1.28 1 48 HIS 4.10 4.37 1 49 THR 6.60 2.72 1 50 LEU 3.50 -0.75 1 51 LYS 4.00 2.34 1 52 HIS 4.50 5.40 1 53 PHE 4.10 0.97 1 54 GLU 3.10 -0.34 1 55 HIS 4.40 4.57 1 56 VAL 5.90 0.56 1 57 ARG 4.40 1.61 1 58 MET 2.20 0.54 1 59 VAL 0.90 1.36 1 60 ASP -0.80 1.54 1 62 LYS 4.40 2.92 1 63 LYS 3.08 2.46 1 64 ALA 3.80 1.25 1 65 ALA 3.70 0.81 1 66 GLN 3.00 4.24 1 67 ILE 0.80 2.06 1 68 ARG 5.80 0.34 1 69 SER 5.70 2.67 1 70 GLN 4.70 1.05 1 71 VAL 5.90 2.64 1 72 MET 4.10 1.36 1 73 THR 6.30 5.40 1 74 HIS 4.30 0.96 1 75 LEU 4.30 -0.57 1 76 ARG 4.60 2.84 1 77 VAL 6.12 1.80 1 78 ILE 5.00 2.36 1 79 TYR 4.10 3.22 1 80 GLU 3.20 1.67 1 81 ARG 4.30 3.08 1 82 MET 4.02 2.95 1 83 ASN 4.49 3.38 1 84 GLN 5.00 2.51 1 85 SER 5.30 4.83 1 86 LEU 4.10 -0.28 1 87 SER 5.30 3.87 1 88 LEU 2.76 -1.56 1 89 LEU 3.60 1.61 1 90 TYR 3.80 2.05 1 91 ASN 0.60 1.22 1 92 VAL 0.81 -0.21 1 94 ALA 2.80 -0.24 1 95 VAL 3.70 4.17 1 97 GLU 2.60 2.43 1 98 GLU 1.30 1.84 1 99 ILE -0.90 1.75 1 100 GLN 5.20 0.38 1 101 ASP 5.00 0.66 1 102 GLU 3.20 2.06 1 103 VAL 6.70 3.45 1 104 ASP 4.50 0.59 1 105 GLU 3.00 0.46 1 106 LEU 2.60 0.80 1 107 LEU 2.00 0.91 1 108 GLN 2.60 2.48 1 109 LYS 1.70 0.50 1 110 GLU 0.30 0.84 1 111 GLN 0.53 0.61 1 112 ASN 0.10 0.13 1 113 TYR 0.60 -1.18 1 114 SER -0.40 0.89 1 115 ASP -0.04 -2.55 1 116 ASP 0.20 -0.83 1 117 VAL 1.06 -1.30 1 stop_ save_