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 bmr15545_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.46 _LACS_plot.Line_1_terminator_val_y_1 -2.56 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.06 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.05 _LACS_plot.Line_2_terminator_val_x_2 9.07 _LACS_plot.Line_2_terminator_val_y_2 7.08 _LACS_plot.Y_axis_chem_shift_offset -0.31 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 18 LYS 5.00 0.78 0 10 GLU -0.36 0.38 1 11 THR -4.30 -1.89 1 12 ARG -4.03 -1.36 1 13 LEU -0.99 -0.46 1 15 ASP 2.12 2.78 1 16 ASN 2.19 3.30 1 19 LYS -3.20 -1.56 1 20 GLU 0.23 -0.20 1 21 ILE -4.19 -3.47 1 23 VAL 5.83 4.74 1 24 PHE 2.98 1.63 1 25 ASN -1.91 -0.80 1 26 PHE 5.90 6.31 1 27 THR 5.66 4.55 1 28 ILE 3.47 2.33 1 29 HIS 6.20 5.50 1 30 GLU 3.75 3.90 1 31 ILE 3.46 2.91 1 32 HIS 1.52 3.74 1 34 GLN 3.56 2.46 1 35 ARG 1.83 1.57 1 36 ASN -0.15 1.54 1 37 ILE -0.50 -1.19 1 39 MET 3.85 2.76 1 44 LYS 5.28 2.76 1 47 PHE -2.45 0.80 1 49 LYS 5.39 4.69 1 50 SER 3.16 2.20 1 51 ASP -1.22 0.04 1 52 MET 6.19 4.51 1 53 GLU 4.92 3.90 1 54 THR 5.66 3.97 1 55 HIS 6.78 4.91 1 56 MET 4.97 3.74 1 57 ALA 2.90 2.14 1 58 ALA 1.14 1.56 1 59 GLU -0.50 -0.23 1 60 HIS -0.93 -0.93 1 62 GLN -1.13 0.11 1 63 VAL -4.71 -2.87 1 64 THR -0.71 -0.64 1 66 LYS 3.83 3.13 1 68 ASN 4.53 2.71 1 69 LYS 0.34 1.37 1 70 LYS -1.44 -0.97 1 71 LEU -3.33 -1.04 1 72 GLU -0.94 0.38 1 73 LYS 4.05 2.72 1 74 ARG 5.34 5.08 1 75 LEU 4.28 4.23 1 76 LEU -0.88 -0.48 1 78 LYS 4.79 4.61 1 79 HIS 6.20 5.50 1 80 GLU 3.75 3.90 1 81 GLU 0.24 1.56 1 82 THR -1.95 0.46 1 83 GLU -3.87 -0.20 1 86 LEU 0.76 -0.46 1 87 ARG 0.36 0.10 1 88 LEU -2.74 -1.04 1 89 ALA -6.46 -1.95 1 90 VAL -3.54 -2.29 1 92 GLN 1.80 1.87 1 93 HIS -1.42 1.98 1 95 ASP 3.29 2.78 1 96 LEU -0.99 1.30 1 97 GLU -2.69 -1.37 1 98 LEU -4.50 -1.04 1 99 SER -0.35 -0.14 1 100 ILE 3.46 2.91 1 101 LEU 2.52 1.88 1 102 LYS -1.44 -0.97 1 103 LEU 3.70 4.23 1 104 LYS 5.00 3.71 1 105 GLU 2.58 2.73 1 106 HIS 5.62 5.50 1 107 GLU -0.21 0.33 1 108 ASP 3.88 3.37 1 109 TYR 1.39 1.43 1 112 ALA -1.20 -1.37 1 113 ARG 0.66 0.98 1 114 THR -4.30 -1.89 1 115 GLU -4.53 -0.86 1 116 LEU -0.99 -0.46 1 119 ASN 1.02 2.13 1 122 ARG -1.68 -0.77 1 123 ASN 0.43 0.37 1 124 VAL -2.37 -1.12 1 125 LEU 0.77 0.13 1 126 VAL 5.83 4.15 1 127 LYS 3.84 1.96 1 128 ASP -0.81 0.44 1 129 LEU 4.28 4.23 1 130 LYS 3.83 3.13 1 131 THR 0.37 -0.13 1 132 HIS 9.07 7.20 1 134 GLU 1.99 2.14 1 135 VAL -1.78 -1.70 1 138 ARG 0.07 -0.19 1 139 GLU -0.36 0.38 1 141 GLU 0.23 1.56 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15545_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.46 _LACS_plot.Line_1_terminator_val_y_1 3.90 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.94 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.95 _LACS_plot.Line_2_terminator_val_x_2 9.07 _LACS_plot.Line_2_terminator_val_y_2 -1.99 _LACS_plot.Y_axis_chem_shift_offset -0.31 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 18 LYS 5.00 -4.22 0 10 GLU -0.36 0.74 1 11 THR -4.30 2.41 1 12 ARG -4.03 2.67 1 13 LEU -0.99 0.53 1 15 ASP 2.12 0.66 1 16 ASN 2.19 1.11 1 19 LYS -3.20 1.64 1 20 GLU 0.23 -0.43 1 21 ILE -4.19 0.72 1 23 VAL 5.83 -1.09 1 24 PHE 2.98 -1.35 1 25 ASN -1.91 1.11 1 26 PHE 5.90 0.41 1 27 THR 5.66 -1.11 1 28 ILE 3.47 -1.14 1 29 HIS 6.20 -0.70 1 30 GLU 3.75 0.15 1 31 ILE 3.46 -0.55 1 32 HIS 1.52 2.22 1 34 GLN 3.56 -1.10 1 35 ARG 1.83 -0.26 1 36 ASN -0.15 1.69 1 37 ILE -0.50 -0.69 1 39 MET 3.85 -1.09 1 44 LYS 5.28 -2.52 1 47 PHE -2.45 3.25 1 49 LYS 5.39 -0.70 1 50 SER 3.16 -0.96 1 51 ASP -1.22 1.26 1 52 MET 6.19 -1.68 1 53 GLU 4.92 -1.02 1 54 THR 5.66 -1.69 1 55 HIS 6.78 -1.87 1 56 MET 4.97 -1.23 1 57 ALA 2.90 -0.76 1 58 ALA 1.14 0.42 1 59 GLU -0.50 0.27 1 60 HIS -0.93 0.00 1 62 GLN -1.13 1.24 1 63 VAL -4.71 1.84 1 64 THR -0.71 0.07 1 66 LYS 3.83 -0.70 1 68 ASN 4.53 -1.82 1 69 LYS 0.34 1.03 1 70 LYS -1.44 0.47 1 71 LEU -3.33 2.29 1 72 GLU -0.94 1.32 1 73 LYS 4.05 -1.33 1 74 ARG 5.34 -0.26 1 75 LEU 4.28 -0.05 1 76 LEU -0.88 0.40 1 78 LYS 4.79 -0.18 1 79 HIS 6.20 -0.70 1 80 GLU 3.75 0.15 1 81 GLU 0.24 1.32 1 82 THR -1.95 2.41 1 83 GLU -3.87 3.67 1 86 LEU 0.76 -1.22 1 87 ARG 0.36 -0.26 1 88 LEU -2.74 1.70 1 89 ALA -6.46 4.51 1 90 VAL -3.54 1.25 1 92 GLN 1.80 0.07 1 93 HIS -1.42 3.40 1 95 ASP 3.29 -0.51 1 96 LEU -0.99 2.29 1 97 GLU -2.69 1.32 1 98 LEU -4.50 3.46 1 99 SER -0.35 0.21 1 100 ILE 3.46 -0.55 1 101 LEU 2.52 -0.64 1 102 LYS -1.44 0.47 1 103 LEU 3.70 0.53 1 104 LYS 5.00 -1.29 1 105 GLU 2.58 0.15 1 106 HIS 5.62 -0.12 1 107 GLU -0.21 0.54 1 108 ASP 3.88 -0.51 1 109 TYR 1.39 0.04 1 112 ALA -1.20 -0.17 1 113 ARG 0.66 0.32 1 114 THR -4.30 2.41 1 115 GLU -4.53 3.67 1 116 LEU -0.99 0.53 1 119 ASN 1.02 1.11 1 122 ARG -1.68 0.91 1 123 ASN 0.43 -0.06 1 124 VAL -2.37 1.25 1 125 LEU 0.77 -0.64 1 126 VAL 5.83 -1.68 1 127 LYS 3.84 -1.88 1 128 ASP -0.81 1.25 1 129 LEU 4.28 -0.05 1 130 LYS 3.83 -0.70 1 131 THR 0.37 -0.50 1 132 HIS 9.07 -1.87 1 134 GLU 1.99 0.15 1 135 VAL -1.78 0.08 1 138 ARG 0.07 -0.26 1 139 GLU -0.36 0.74 1 141 GLU 0.23 1.33 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15545_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.46 _LACS_plot.Line_1_terminator_val_y_1 0.58 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.06 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.26 _LACS_plot.Line_2_terminator_val_x_2 9.07 _LACS_plot.Line_2_terminator_val_y_2 -0.61 _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 74 ARG 5.34 0.27 0 36 ASN -0.15 -0.57 0 70 LYS -1.44 0.89 0 10 GLU -0.36 -0.02 1 11 THR -4.30 0.76 1 12 ARG -4.03 0.15 1 13 LEU -0.99 -0.01 1 15 ASP 2.12 -0.15 1 16 ASN 2.19 0.06 1 18 LYS 5.00 -0.30 1 19 LYS -3.20 0.32 1 20 GLU 0.23 -0.02 1 21 ILE -4.19 0.19 1 23 VAL 5.83 -0.05 1 24 PHE 2.98 0.02 1 25 ASN -1.91 0.37 1 26 PHE 5.90 -0.60 1 27 THR 5.66 -0.18 1 28 ILE 3.47 -0.31 1 29 HIS 6.20 -0.60 1 30 GLU 3.75 -0.68 1 31 ILE 3.46 -0.46 1 32 HIS 1.52 -0.40 1 34 GLN 3.56 -0.32 1 35 ARG 1.83 -0.01 1 37 ILE -0.50 0.32 1 39 MET 3.85 0.32 1 47 PHE -2.45 -0.09 1 50 SER 3.16 -0.12 1 51 ASP -1.22 0.47 1 52 MET 6.19 -0.39 1 53 GLU 4.92 -0.05 1 54 THR 5.66 -0.33 1 55 HIS 6.78 -0.52 1 56 MET 4.97 -0.61 1 57 ALA 2.90 -0.15 1 58 ALA 1.14 0.01 1 59 GLU -0.50 0.07 1 60 HIS -0.93 0.64 1 62 GLN -1.13 0.33 1 63 VAL -4.71 0.52 1 64 THR -0.71 0.61 1 66 LYS 3.83 -0.03 1 68 ASN 4.53 -0.57 1 69 LYS 0.34 -0.15 1 71 LEU -3.33 0.46 1 72 GLU -0.94 0.14 1 73 LYS 4.05 -0.05 1 75 LEU 4.28 0.02 1 76 LEU -0.88 -0.01 1 78 LYS 4.79 -0.47 1 79 HIS 6.20 -0.19 1 80 GLU 3.75 -0.64 1 81 GLU 0.24 -0.02 1 82 THR -1.95 0.29 1 83 GLU -3.87 0.29 1 86 LEU 0.76 0.15 1 87 ARG 0.36 -0.01 1 88 LEU -2.74 0.46 1 89 ALA -6.46 0.32 1 90 VAL -3.54 0.74 1 92 GLN 1.80 -0.13 1 93 HIS -1.42 0.23 1 95 ASP 3.29 -0.15 1 96 LEU -0.99 -0.17 1 97 GLU -2.69 0.70 1 98 LEU -4.50 0.30 1 99 SER -0.35 0.02 1 100 ILE 3.46 -0.32 1 101 LEU 2.52 -0.01 1 102 LYS -1.44 0.32 1 103 LEU 3.70 -0.06 1 104 LYS 5.00 -0.15 1 105 GLU 2.58 -0.18 1 106 HIS 5.62 -0.38 1 107 GLU -0.21 -0.24 1 108 ASP 3.88 0.00 1 109 TYR 1.39 -0.06 1 112 ALA -1.20 0.17 1 113 ARG 0.66 -0.17 1 114 THR -4.30 0.76 1 115 GLU -4.53 0.14 1 116 LEU -0.99 0.15 1 119 ASN 1.02 0.22 1 122 ARG -1.68 0.15 1 123 ASN 0.43 0.22 1 124 VAL -2.37 -0.10 1 125 LEU 0.77 0.30 1 126 VAL 5.83 -0.57 1 127 LYS 3.84 0.01 1 128 ASP -0.81 0.47 1 129 LEU 4.28 -0.32 1 130 LYS 3.83 0.01 1 131 THR 0.37 0.18 1 132 HIS 9.07 -0.54 1 134 GLU 1.99 -0.18 1 135 VAL -1.78 0.37 1 138 ARG 0.07 0.15 1 139 GLU -0.36 0.14 1 141 GLU 0.23 -0.18 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15545_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.46 _LACS_plot.Line_1_terminator_val_y_1 -2.25 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.75 _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 6.78 _LACS_plot.Line_2_terminator_val_y_2 2.52 _LACS_plot.Y_axis_chem_shift_offset -0.06 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 93 HIS -1.42 2.93 0 18 LYS 5.00 -1.47 0 10 GLU -0.36 0.29 1 11 THR -4.30 -1.27 1 12 ARG -4.03 -2.16 1 13 LEU -0.99 -1.02 1 15 ASP 2.12 -0.39 1 16 ASN 2.19 -0.88 1 19 LYS -3.20 -0.84 1 20 GLU 0.23 -1.00 1 23 VAL 5.83 2.21 1 24 PHE 2.98 0.25 1 25 ASN -1.91 0.95 1 26 PHE 5.90 0.42 1 27 THR 5.66 1.93 1 28 ILE 3.47 1.76 1 29 HIS 6.20 2.71 1 30 GLU 3.75 1.37 1 31 ILE 3.46 1.67 1 32 HIS 1.52 2.77 1 35 ARG 1.83 0.88 1 36 ASN -0.15 -0.02 1 37 ILE -0.50 -0.98 1 39 MET 3.85 1.65 1 50 SER 3.16 0.43 1 51 ASP -1.22 1.02 1 52 MET 6.19 2.43 1 53 GLU 4.92 3.23 1 54 THR 5.66 1.90 1 55 HIS 6.78 2.64 1 56 MET 4.97 3.03 1 57 ALA 2.90 0.66 1 58 ALA 1.14 1.70 1 59 GLU -0.50 0.93 1 60 HIS -0.93 0.22 1 62 GLN -1.13 -0.08 1 63 VAL -4.71 -2.60 1 64 THR -0.71 0.14 1 66 LYS 3.83 0.50 1 68 ASN 4.53 -1.13 1 69 LYS 0.34 -2.46 1 70 LYS -1.44 -0.56 1 71 LEU -3.33 -2.41 1 72 GLU -0.94 2.05 1 73 LYS 4.05 3.93 1 74 ARG 5.34 2.86 1 75 LEU 4.28 -0.03 1 76 LEU -0.88 0.04 1 78 LYS 4.79 2.56 1 79 HIS 6.20 3.86 1 80 GLU 3.75 1.10 1 81 GLU 0.24 1.92 1 82 THR -1.95 0.15 1 83 GLU -3.87 -1.41 1 86 LEU 0.76 -0.26 1 87 ARG 0.36 -1.85 1 88 LEU -2.74 -1.32 1 89 ALA -6.46 -3.38 1 90 VAL -3.54 -0.36 1 92 GLN 1.80 -0.76 1 95 ASP 3.29 -1.72 1 96 LEU -0.99 -2.29 1 97 GLU -2.69 -0.71 1 98 LEU -4.50 -2.72 1 99 SER -0.35 2.63 1 100 ILE 3.46 0.64 1 101 LEU 2.52 0.82 1 102 LYS -1.44 0.66 1 103 LEU 3.70 -0.10 1 104 LYS 5.00 1.80 1 105 GLU 2.58 2.56 1 106 HIS 5.62 3.20 1 107 GLU -0.21 -0.65 1 108 ASP 3.88 2.06 1 109 TYR 1.39 0.86 1 112 ALA -1.20 -0.31 1 113 ARG 0.66 -0.95 1 114 THR -4.30 -0.37 1 115 GLU -4.53 -1.75 1 116 LEU -0.99 -0.73 1 119 ASN 1.02 0.57 1 122 ARG -1.68 -1.04 1 123 ASN 0.43 -0.55 1 124 VAL -2.37 -0.95 1 125 LEU 0.77 1.95 1 126 VAL 5.83 3.33 1 127 LYS 3.84 -0.28 1 128 ASP -0.81 0.98 1 129 LEU 4.28 2.13 1 130 LYS 3.83 1.78 1 131 THR 0.37 0.77 1 134 GLU 1.99 1.05 1 135 VAL -1.78 -1.25 1 138 ARG 0.07 0.07 1 139 GLU -0.36 0.33 1 stop_ save_