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 bmr6949_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -4.29 _LACS_plot.Line_1_terminator_val_y_1 -1.29 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.73 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.36 _LACS_plot.Line_2_terminator_val_x_2 6.07 _LACS_plot.Line_2_terminator_val_y_2 4.69 _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 PHE -4.29 -1.20 0 45 HIS 3.75 5.81 0 10 ASP 0.12 0.26 1 12 LEU -0.07 0.25 1 13 ASP 2.14 1.00 1 14 ASP -2.29 -0.40 1 16 ARG 4.66 3.23 1 17 LEU 1.95 1.74 1 18 GLU 3.84 3.23 1 19 LYS 3.99 3.38 1 20 LEU 3.12 2.61 1 21 TRP 1.59 1.54 1 22 HIS 3.96 5.33 1 23 LYS 4.55 2.63 1 24 ALA 3.52 2.77 1 25 LYS 4.70 3.27 1 26 THR -0.20 0.25 1 27 SER 1.90 2.60 1 29 LYS 0.44 -0.01 1 31 SER -2.91 -1.42 1 33 GLU 3.10 2.87 1 34 GLU 1.20 2.73 1 35 LEU 4.06 2.76 1 36 ASP 3.80 3.49 1 37 LYS 4.22 3.64 1 38 LEU 3.72 2.94 1 39 TRP 2.68 2.38 1 40 ARG 5.23 3.73 1 41 GLU 4.93 4.25 1 42 PHE 5.95 5.15 1 43 LEU 4.22 2.64 1 44 HIS 3.19 3.67 1 46 LYS 4.76 3.31 1 47 GLU 3.35 2.67 1 48 LYS 3.98 2.70 1 49 VAL 6.08 4.76 1 50 HIS 4.55 5.01 1 51 GLU 3.00 2.79 1 52 TYR 3.76 3.92 1 53 ASN 4.26 3.02 1 54 VAL 5.38 4.19 1 55 LEU 3.75 2.72 1 56 LEU 3.78 3.00 1 57 GLU 3.42 2.66 1 58 THR 4.67 4.17 1 59 LEU 2.45 1.72 1 60 SER 2.14 1.79 1 61 ARG 1.40 0.95 1 62 THR 1.02 0.84 1 63 GLU -0.34 0.05 1 64 GLU -0.15 0.05 1 65 ILE 0.14 -0.11 1 66 HIS -0.67 0.96 1 67 GLU -0.01 0.21 1 68 ASN 0.17 0.05 1 69 VAL 0.34 0.09 1 70 ILE -0.09 -0.30 1 71 SER -0.68 -0.55 1 73 SER 1.11 0.87 1 74 ASP 0.24 0.29 1 75 LEU 0.95 0.39 1 76 SER 1.12 0.88 1 77 ASP 0.21 0.17 1 78 ILE 1.02 0.53 1 79 LYS 1.35 0.72 1 81 SER 0.56 0.46 1 82 VAL 2.25 1.54 1 83 LEU 1.84 1.40 1 84 HIS 1.62 3.29 1 86 ARG 2.12 1.57 1 87 HIS 2.24 3.69 1 88 THR 5.93 4.43 1 89 GLU 3.29 2.59 1 90 LEU 3.60 3.14 1 91 LYS 4.55 3.61 1 92 GLU 2.86 2.16 1 93 LYS 3.61 3.27 1 94 LEU 3.65 2.36 1 95 ARG 5.27 3.82 1 96 SER 3.65 2.81 1 97 ILE 5.39 4.66 1 98 ASN 4.63 3.21 1 99 GLN 4.17 3.06 1 101 LEU 3.72 2.50 1 102 ASP 3.91 3.48 1 103 ARG 5.38 3.62 1 104 LEU 4.21 2.91 1 105 ARG 5.18 4.27 1 106 ARG 4.68 3.84 1 107 VAL 4.42 3.36 1 108 SER 5.38 4.95 1 109 HIS 0.58 3.24 1 110 GLN -0.77 0.72 1 112 TYR 1.90 2.18 1 113 SER 0.37 0.15 1 114 THR -0.38 -0.02 1 115 GLU -0.66 -0.27 1 116 ALA 0.33 1.31 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6949_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -4.29 _LACS_plot.Line_1_terminator_val_y_1 3.00 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.27 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.64 _LACS_plot.Line_2_terminator_val_x_2 6.07 _LACS_plot.Line_2_terminator_val_y_2 -1.38 _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 PHE -4.29 3.09 0 45 HIS 3.75 2.06 0 10 ASP 0.12 0.14 1 12 LEU -0.07 0.32 1 13 ASP 2.14 -1.14 1 14 ASP -2.29 1.89 1 16 ARG 4.66 -1.43 1 17 LEU 1.95 -0.21 1 18 GLU 3.84 -0.61 1 19 LYS 3.99 -0.61 1 20 LEU 3.12 -0.51 1 21 TRP 1.59 -0.05 1 22 HIS 3.96 1.37 1 23 LYS 4.55 -1.92 1 24 ALA 3.52 -0.75 1 25 LYS 4.70 -1.43 1 26 THR -0.20 0.45 1 27 SER 1.90 0.70 1 29 LYS 0.44 -0.45 1 31 SER -2.91 1.49 1 33 GLU 3.10 -0.23 1 34 GLU 1.20 1.53 1 35 LEU 4.06 -1.30 1 36 ASP 3.80 -0.31 1 37 LYS 4.22 -0.58 1 38 LEU 3.72 -0.78 1 39 TRP 2.68 -0.30 1 40 ARG 5.23 -1.50 1 41 GLU 4.93 -0.68 1 42 PHE 5.95 -0.80 1 43 LEU 4.22 -1.58 1 44 HIS 3.19 0.48 1 46 LYS 4.76 -1.45 1 47 GLU 3.35 -0.68 1 48 LYS 3.98 -1.28 1 49 VAL 6.08 -1.32 1 50 HIS 4.55 0.46 1 51 GLU 3.00 -0.21 1 52 TYR 3.76 0.16 1 53 ASN 4.26 -1.24 1 54 VAL 5.38 -1.19 1 55 LEU 3.75 -1.03 1 56 LEU 3.78 -0.78 1 57 GLU 3.42 -0.76 1 58 THR 4.67 -0.50 1 59 LEU 2.45 -0.73 1 60 SER 2.14 -0.35 1 61 ARG 1.40 -0.45 1 62 THR 1.02 -0.18 1 63 GLU -0.34 0.39 1 64 GLU -0.15 0.20 1 65 ILE 0.14 -0.25 1 66 HIS -0.67 1.63 1 67 GLU -0.01 0.22 1 68 ASN 0.17 -0.12 1 69 VAL 0.34 -0.25 1 70 ILE -0.09 -0.21 1 71 SER -0.68 0.13 1 73 SER 1.11 -0.24 1 74 ASP 0.24 0.05 1 75 LEU 0.95 -0.56 1 76 SER 1.12 -0.24 1 77 ASP 0.21 -0.04 1 78 ILE 1.02 -0.49 1 79 LYS 1.35 -0.63 1 81 SER 0.56 -0.10 1 82 VAL 2.25 -0.71 1 83 LEU 1.84 -0.44 1 84 HIS 1.62 1.67 1 86 ARG 2.12 -0.55 1 87 HIS 2.24 1.45 1 88 THR 5.93 -1.50 1 89 GLU 3.29 -0.70 1 90 LEU 3.60 -0.46 1 91 LYS 4.55 -0.94 1 92 GLU 2.86 -0.70 1 93 LYS 3.61 -0.34 1 94 LEU 3.65 -1.29 1 95 ARG 5.27 -1.45 1 96 SER 3.65 -0.84 1 97 ILE 5.39 -0.73 1 98 ASN 4.63 -1.42 1 99 GLN 4.17 -1.11 1 101 LEU 3.72 -1.22 1 102 ASP 3.91 -0.43 1 103 ARG 5.38 -1.76 1 104 LEU 4.21 -1.30 1 105 ARG 5.18 -0.91 1 106 ARG 4.68 -0.84 1 107 VAL 4.42 -1.06 1 108 SER 5.38 -0.43 1 109 HIS 0.58 2.66 1 110 GLN -0.77 1.49 1 112 TYR 1.90 0.28 1 113 SER 0.37 -0.22 1 114 THR -0.38 0.36 1 115 GLU -0.66 0.39 1 116 ALA 0.33 0.98 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6949_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -4.29 _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 -0.31 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.02 _LACS_plot.Line_2_terminator_val_x_2 6.07 _LACS_plot.Line_2_terminator_val_y_2 -0.60 _LACS_plot.Y_axis_chem_shift_offset 0.17 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 30 PHE -4.29 0.28 0 22 HIS 3.96 -1.08 0 10 ASP 0.12 -0.14 1 12 LEU -0.07 -0.30 1 13 ASP 2.14 -0.48 1 14 ASP -2.29 -0.09 1 16 ARG 4.66 -0.33 1 17 LEU 1.95 -0.24 1 18 GLU 3.84 -0.45 1 19 LYS 3.99 -0.26 1 20 LEU 3.12 -0.28 1 21 TRP 1.59 -0.46 1 23 LYS 4.55 -0.66 1 24 ALA 3.52 -0.22 1 25 LYS 4.70 -0.90 1 26 THR -0.20 -0.16 1 27 SER 1.90 -0.02 1 29 LYS 0.44 -0.28 1 31 SER -2.91 0.10 1 33 GLU 3.10 -0.20 1 34 GLU 1.20 -0.32 1 35 LEU 4.06 -0.22 1 36 ASP 3.80 -0.15 1 37 LYS 4.22 -0.41 1 38 LEU 3.72 -0.04 1 39 TRP 2.68 -0.68 1 40 ARG 5.23 -0.72 1 41 GLU 4.93 -0.24 1 42 PHE 5.95 -0.75 1 43 LEU 4.22 -0.78 1 44 HIS 3.19 -0.46 1 45 HIS 3.75 -0.82 1 46 LYS 4.76 -0.61 1 47 GLU 3.35 -0.35 1 48 LYS 3.98 -0.45 1 49 VAL 6.08 -0.74 1 50 HIS 4.55 -0.44 1 51 GLU 3.00 -0.67 1 52 TYR 3.76 -0.78 1 53 ASN 4.26 -0.64 1 54 VAL 5.38 -0.62 1 55 LEU 3.75 -0.43 1 56 LEU 3.78 -0.74 1 57 GLU 3.42 -0.52 1 58 THR 4.67 -0.54 1 59 LEU 2.45 -0.34 1 60 SER 2.14 -0.27 1 61 ARG 1.40 -0.09 1 62 THR 1.02 -0.17 1 63 GLU -0.34 -0.15 1 64 GLU -0.15 -0.25 1 65 ILE 0.14 -0.17 1 66 HIS -0.67 -0.21 1 67 GLU -0.01 -0.24 1 68 ASN 0.17 -0.71 1 69 VAL 0.34 -0.13 1 70 ILE -0.09 -0.09 1 71 SER -0.68 -0.12 1 73 SER 1.11 -0.27 1 74 ASP 0.24 -0.15 1 75 LEU 0.95 -0.16 1 76 SER 1.12 -0.27 1 77 ASP 0.21 -0.14 1 78 ILE 1.02 -0.18 1 79 LYS 1.35 -0.26 1 81 SER 0.56 -0.61 1 82 VAL 2.25 -0.21 1 83 LEU 1.84 -0.30 1 86 ARG 2.12 -0.12 1 88 THR 5.93 -0.54 1 89 GLU 3.29 -0.32 1 90 LEU 3.60 -0.42 1 91 LYS 4.55 -0.38 1 92 GLU 2.86 -0.32 1 93 LYS 3.61 -0.26 1 94 LEU 3.65 -0.73 1 95 ARG 5.27 -0.39 1 96 SER 3.65 -0.31 1 97 ILE 5.39 -0.59 1 98 ASN 4.63 -0.35 1 99 GLN 4.17 -0.27 1 101 LEU 3.72 -0.77 1 102 ASP 3.91 -0.45 1 103 ARG 5.38 -0.39 1 104 LEU 4.21 -0.68 1 105 ARG 5.18 -0.47 1 106 ARG 4.68 -0.34 1 107 VAL 4.42 -0.55 1 108 SER 5.38 -0.51 1 109 HIS 0.58 -0.32 1 110 GLN -0.77 -0.05 1 112 TYR 1.90 -0.18 1 113 SER 0.37 -0.06 1 114 THR -0.38 -0.05 1 115 GLU -0.66 -0.15 1 116 ALA 0.33 -0.35 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6949_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -4.29 _LACS_plot.Line_1_terminator_val_y_1 -1.57 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.17 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.50 _LACS_plot.Line_2_terminator_val_x_2 6.07 _LACS_plot.Line_2_terminator_val_y_2 2.86 _LACS_plot.Y_axis_chem_shift_offset -0.32 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 116 ALA 0.33 4.66 0 94 LEU 3.65 -2.76 0 30 PHE -4.29 0.40 0 10 ASP 0.12 0.02 1 13 ASP 2.14 -1.30 1 16 ARG 4.66 3.49 1 17 LEU 1.95 1.05 1 18 GLU 3.84 2.28 1 19 LYS 3.99 2.85 1 20 LEU 3.12 0.22 1 21 TRP 1.59 0.50 1 22 HIS 3.96 4.61 1 23 LYS 4.55 1.61 1 24 ALA 3.52 3.50 1 25 LYS 4.70 1.50 1 26 THR -0.20 1.60 1 27 SER 1.90 1.52 1 29 LYS 0.44 -1.52 1 31 SER -2.91 0.58 1 33 GLU 3.10 -0.12 1 34 GLU 1.20 2.28 1 35 LEU 4.06 1.53 1 36 ASP 3.80 2.37 1 37 LYS 4.22 2.38 1 38 LEU 3.72 1.67 1 39 TRP 2.68 1.72 1 40 ARG 5.23 3.42 1 41 GLU 4.93 4.12 1 42 PHE 5.95 2.46 1 43 LEU 4.22 2.51 1 44 HIS 3.19 3.11 1 45 HIS 3.75 2.72 1 46 LYS 4.76 2.69 1 47 GLU 3.35 2.40 1 48 LYS 3.98 3.64 1 49 VAL 6.08 1.31 1 50 HIS 4.55 2.89 1 51 GLU 3.00 2.56 1 52 TYR 3.76 -0.47 1 53 ASN 4.26 3.64 1 54 VAL 5.38 2.61 1 55 LEU 3.75 1.21 1 56 LEU 3.78 2.15 1 57 GLU 3.42 2.48 1 58 THR 4.67 2.08 1 59 LEU 2.45 0.80 1 60 SER 2.14 0.38 1 61 ARG 1.40 0.76 1 62 THR 1.02 -0.03 1 63 GLU -0.34 -0.40 1 64 GLU -0.15 -0.34 1 65 ILE 0.14 -0.54 1 66 HIS -0.67 1.11 1 67 GLU -0.01 -0.62 1 68 ASN 0.17 -0.36 1 69 VAL 0.34 -0.47 1 70 ILE -0.09 -0.51 1 73 SER 1.11 -0.14 1 74 ASP 0.24 0.12 1 75 LEU 0.95 -0.02 1 76 SER 1.12 -0.11 1 77 ASP 0.21 0.18 1 78 ILE 1.02 0.25 1 79 LYS 1.35 0.80 1 81 SER 0.56 0.95 1 82 VAL 2.25 0.78 1 83 LEU 1.84 0.22 1 86 ARG 2.12 1.04 1 88 THR 5.93 1.38 1 89 GLU 3.29 2.30 1 90 LEU 3.60 0.95 1 91 LYS 4.55 3.13 1 92 GLU 2.86 2.99 1 93 LYS 3.61 -0.62 1 95 ARG 5.27 2.69 1 96 SER 3.65 4.48 1 97 ILE 5.39 1.23 1 98 ASN 4.63 3.38 1 99 GLN 4.17 3.48 1 101 LEU 3.72 0.65 1 102 ASP 3.91 2.50 1 103 ARG 5.38 1.32 1 104 LEU 4.21 2.82 1 105 ARG 5.18 1.77 1 106 ARG 4.68 2.61 1 107 VAL 4.42 2.48 1 108 SER 5.38 -1.29 1 109 HIS 0.58 2.48 1 110 GLN -0.77 1.52 1 112 TYR 1.90 1.58 1 113 SER 0.37 0.38 1 114 THR -0.38 -0.19 1 115 GLU -0.66 -1.55 1 stop_ save_