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 bmr4944_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.97 _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 -2.05 _LACS_plot.Line_2_terminator_val_x_2 6.54 _LACS_plot.Line_2_terminator_val_y_2 3.76 _LACS_plot.Y_axis_chem_shift_offset 1.11 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 36 SER -5.64 -1.77 0 91 ILE 2.20 -2.51 0 37 ALA -6.07 -2.04 0 101 TRP -6.13 -6.53 0 52 MET 3.32 -1.90 0 55 VAL 0.56 -3.64 0 35 TYR -7.97 -3.90 0 65 ASP -5.51 -1.21 0 99 GLU -6.97 -2.60 0 11 THR 5.97 2.83 1 13 ASN 5.54 5.46 1 14 SER -0.06 0.77 1 16 ARG 3.25 3.07 1 17 SER 4.49 0.77 1 18 GLN 4.06 0.83 1 19 MET 4.33 3.67 1 20 ALA 5.57 1.50 1 21 GLU 3.16 1.45 1 23 TRP -1.08 0.55 1 25 LYS 4.74 2.87 1 26 GLU 1.65 0.95 1 27 ILE 1.46 1.48 1 28 LEU 2.48 -1.10 1 30 GLU 2.66 0.95 1 32 TRP -3.10 -2.48 1 33 ASN -1.55 -1.63 1 34 VAL -1.97 -2.63 1 39 ILE 3.01 1.51 1 40 GLU -5.95 -3.61 1 41 THR -3.64 -4.25 1 44 VAL 2.59 0.92 1 45 ASN -0.96 -0.84 1 47 LYS 3.73 1.35 1 48 ALA 2.64 1.10 1 49 ILE 5.54 3.03 1 50 GLU 2.65 1.45 1 51 ALA 5.07 2.01 1 53 LYS 4.27 1.85 1 54 GLU 2.15 1.45 1 56 ASP 3.60 0.31 1 57 ILE -1.55 -2.54 1 58 ASP -1.46 -2.73 1 59 ILE 1.49 -2.03 1 60 SER 4.48 2.28 1 61 ASN -0.03 -1.63 1 62 HIS 0.32 0.02 1 63 THR -2.12 -3.24 1 64 SER -2.09 -3.28 1 66 LEU -2.07 -2.61 1 67 ILE 3.51 1.51 1 68 ASP -3.99 -3.23 1 69 ASN 3.01 1.92 1 70 ASP 4.11 1.83 1 71 ILE 5.03 1.51 1 72 LEU 3.50 2.45 1 73 LYS 3.72 1.85 1 74 GLN -2.00 -2.20 1 75 SER 3.48 2.28 1 76 ASP 1.07 1.32 1 77 LEU -3.59 -1.60 1 78 VAL -2.47 -3.13 1 79 VAL -4.00 -4.15 1 80 THR -2.63 -4.25 1 81 LEU -1.06 -0.08 1 83 SER 5.50 3.30 1 84 ASP 3.60 2.33 1 85 ALA 2.54 1.00 1 86 ASP 3.10 2.84 1 87 ASN 2.50 0.90 1 88 ASN -0.44 -1.03 1 92 LEU -0.76 -2.13 1 95 ASN 2.50 -0.11 1 96 VAL 1.07 -0.10 1 97 LYS -0.83 -1.69 1 98 LYS -3.87 -3.21 1 100 HIS -2.71 -2.51 1 103 PHE -3.93 -1.17 1 104 ASP 0.06 -1.21 1 105 ASP -2.69 -2.75 1 107 ALA 2.54 1.00 1 109 LYS -2.35 -3.21 1 110 GLU -0.88 -1.58 1 111 TRP 1.46 1.06 1 112 SER 3.98 1.27 1 113 GLU 1.13 -0.07 1 114 PHE 6.19 4.40 1 115 GLN 3.56 2.35 1 116 ARG 4.76 2.56 1 117 VAL 6.13 3.95 1 118 ARG 4.27 3.57 1 119 ASP 4.62 1.83 1 120 GLU 2.65 1.45 1 121 ILE 6.55 3.53 1 122 LYS 4.74 2.87 1 123 LEU 2.98 0.92 1 124 ALA 3.04 1.00 1 125 ILE 6.05 3.03 1 126 GLU 4.18 2.47 1 127 LYS 4.23 1.85 1 128 PHE 3.67 2.38 1 129 LYS 2.72 1.35 1 130 LEU -0.55 -1.60 1 131 ARG 3.75 2.56 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4944_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.97 _LACS_plot.Line_1_terminator_val_y_1 4.07 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -2.94 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.05 _LACS_plot.Line_2_terminator_val_x_2 6.54 _LACS_plot.Line_2_terminator_val_y_2 -2.78 _LACS_plot.Y_axis_chem_shift_offset 1.11 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 36 SER -5.64 3.87 0 91 ILE 2.20 -4.71 0 37 ALA -6.07 4.03 0 101 TRP -6.13 -0.40 0 52 MET 3.32 -5.22 0 55 VAL 0.56 -4.20 0 35 TYR -7.97 4.07 0 65 ASP -5.51 4.30 0 99 GLU -6.97 4.37 0 11 THR 5.97 -3.14 1 13 ASN 5.54 -0.08 1 14 SER -0.06 0.83 1 16 ARG 3.25 -0.18 1 17 SER 4.49 -3.72 1 18 GLN 4.06 -3.23 1 19 MET 4.33 -0.66 1 20 ALA 5.57 -4.07 1 21 GLU 3.16 -1.71 1 23 TRP -1.08 1.63 1 25 LYS 4.74 -1.87 1 26 GLU 1.65 -0.70 1 27 ILE 1.46 0.02 1 28 LEU 2.48 -3.58 1 30 GLU 2.66 -1.71 1 32 TRP -3.10 0.62 1 33 ASN -1.55 -0.08 1 34 VAL -1.97 -0.66 1 39 ILE 3.01 -1.50 1 40 GLU -5.95 2.34 1 41 THR -3.64 -0.61 1 44 VAL 2.59 -1.67 1 45 ASN -0.96 0.12 1 47 LYS 3.73 -2.38 1 48 ALA 2.64 -1.54 1 49 ILE 5.54 -2.51 1 50 GLU 2.65 -1.20 1 51 ALA 5.07 -3.06 1 53 LYS 4.27 -2.42 1 54 GLU 2.15 -0.70 1 56 ASP 3.60 -3.29 1 57 ILE -1.55 -0.99 1 58 ASP -1.46 -1.27 1 59 ILE 1.49 -3.52 1 60 SER 4.48 -2.20 1 61 ASN -0.03 -1.60 1 62 HIS 0.32 -0.30 1 63 THR -2.12 -1.12 1 64 SER -2.09 -1.19 1 66 LEU -2.07 -0.54 1 67 ILE 3.51 -2.00 1 68 ASP -3.99 0.76 1 69 ASN 3.01 -1.09 1 70 ASP 4.11 -2.28 1 71 ILE 5.03 -3.52 1 72 LEU 3.50 -1.05 1 73 LYS 3.72 -1.87 1 74 GLN -2.00 -0.20 1 75 SER 3.48 -1.20 1 76 ASP 1.07 0.25 1 77 LEU -3.59 1.99 1 78 VAL -2.47 -0.66 1 79 VAL -4.00 -0.15 1 80 THR -2.63 -1.62 1 81 LEU -1.06 0.98 1 83 SER 5.50 -2.20 1 84 ASP 3.60 -1.27 1 85 ALA 2.54 -1.54 1 86 ASP 3.10 -0.26 1 87 ASN 2.50 -1.60 1 88 ASN -0.44 -0.59 1 92 LEU -0.76 -1.37 1 95 ASN 2.50 -2.61 1 96 VAL 1.07 -1.17 1 97 LYS -0.83 -0.86 1 98 LYS -3.87 0.66 1 100 HIS -2.71 0.20 1 103 PHE -3.93 2.76 1 104 ASP 0.06 -1.27 1 105 ASP -2.69 -0.06 1 107 ALA 2.54 -1.54 1 109 LYS -2.35 -0.86 1 110 GLU -0.88 -0.70 1 111 TRP 1.46 -0.40 1 112 SER 3.98 -2.71 1 113 GLU 1.13 -1.20 1 114 PHE 6.19 -1.79 1 115 GLN 3.56 -1.21 1 116 ARG 4.76 -2.20 1 117 VAL 6.13 -2.18 1 118 ARG 4.27 -0.70 1 119 ASP 4.62 -2.79 1 120 GLU 2.65 -1.20 1 121 ILE 6.55 -3.02 1 122 LYS 4.74 -1.87 1 123 LEU 2.98 -2.06 1 124 ALA 3.04 -2.04 1 125 ILE 6.05 -3.02 1 126 GLU 4.18 -1.71 1 127 LYS 4.23 -2.38 1 128 PHE 3.67 -1.29 1 129 LYS 2.72 -1.37 1 130 LEU -0.55 -1.05 1 131 ARG 3.75 -1.19 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4944_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.97 _LACS_plot.Line_1_terminator_val_y_1 0.61 _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 0.21 _LACS_plot.Line_2_terminator_val_x_2 6.54 _LACS_plot.Line_2_terminator_val_y_2 -0.61 _LACS_plot.Y_axis_chem_shift_offset -0.00 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 81 LEU -1.06 1.46 0 37 ALA -6.07 -0.49 0 36 SER -5.64 1.68 0 98 LYS -3.87 1.71 0 18 GLN 4.06 0.10 1 19 MET 4.33 -0.61 1 20 ALA 5.57 -0.74 1 21 GLU 3.16 -0.47 1 23 TRP -1.08 0.14 1 25 LYS 4.74 -0.23 1 26 GLU 1.65 -0.06 1 27 ILE 1.46 -0.14 1 28 LEU 2.48 0.09 1 30 GLU 2.66 -0.14 1 32 TRP -3.10 0.67 1 33 ASN -1.55 0.22 1 34 VAL -1.97 0.56 1 35 TYR -7.97 0.57 1 44 VAL 2.59 -0.30 1 45 ASN -0.96 -0.54 1 47 LYS 3.73 -0.35 1 48 ALA 2.64 -0.10 1 49 ILE 5.54 -0.88 1 50 GLU 2.65 -0.38 1 51 ALA 5.07 -0.12 1 52 MET 3.32 0.02 1 53 LYS 4.27 -0.44 1 54 GLU 2.15 -0.20 1 55 VAL 0.56 0.49 1 56 ASP 3.60 -0.42 1 57 ILE -1.55 -0.11 1 58 ASP -1.46 -0.14 1 59 ILE 1.49 -0.01 1 60 SER 4.48 0.30 1 61 ASN -0.03 0.31 1 62 HIS 0.32 -0.08 1 63 THR -2.12 0.08 1 64 SER -2.09 0.33 1 65 ASP -5.51 0.45 1 66 LEU -2.07 0.57 1 67 ILE 3.51 -0.83 1 68 ASP -3.99 0.16 1 69 ASN 3.01 -0.44 1 70 ASP 4.11 -0.23 1 71 ILE 5.03 -0.82 1 72 LEU 3.50 -0.46 1 73 LYS 3.72 -0.34 1 74 GLN -2.00 -0.01 1 75 SER 3.48 -0.53 1 76 ASP 1.07 0.02 1 77 LEU -3.59 0.07 1 78 VAL -2.47 0.59 1 79 VAL -4.00 0.58 1 80 THR -2.63 0.96 1 83 SER 5.50 0.07 1 84 ASP 3.60 -0.24 1 85 ALA 2.54 -0.10 1 86 ASP 3.10 -0.26 1 87 ASN 2.50 -0.30 1 88 ASN -0.44 -0.13 1 91 ILE 2.20 -0.18 1 92 LEU -0.76 0.00 1 95 ASN 2.50 -0.19 1 96 VAL 1.07 -0.10 1 97 LYS -0.83 -0.05 1 99 GLU -6.97 0.15 1 100 HIS -2.71 0.65 1 101 TRP -6.13 0.19 1 103 PHE -3.93 0.08 1 104 ASP 0.06 -0.32 1 105 ASP -2.69 -0.62 1 107 ALA 2.54 -0.08 1 109 LYS -2.35 0.32 1 110 GLU -0.88 0.04 1 111 TRP 1.46 0.14 1 112 SER 3.98 -0.04 1 113 GLU 1.13 0.15 1 114 PHE 6.19 -1.17 1 115 GLN 3.56 -1.14 1 116 ARG 4.76 -0.53 1 117 VAL 6.13 0.07 1 118 ARG 4.27 -0.28 1 119 ASP 4.62 -0.04 1 120 GLU 2.65 -0.37 1 121 ILE 6.55 -0.87 1 122 LYS 4.74 -0.45 1 123 LEU 2.98 -0.43 1 124 ALA 3.04 -0.54 1 125 ILE 6.05 -0.41 1 126 GLU 4.18 -0.54 1 127 LYS 4.23 -0.46 1 128 PHE 3.67 -0.58 1 129 LYS 2.72 0.10 1 130 LEU -0.55 -0.11 1 131 ARG 3.75 -0.55 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4944_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.97 _LACS_plot.Line_1_terminator_val_y_1 -3.71 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.70 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.19 _LACS_plot.Line_2_terminator_val_x_2 6.54 _LACS_plot.Line_2_terminator_val_y_2 2.59 _LACS_plot.Y_axis_chem_shift_offset 0.24 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 35 TYR -7.97 -2.17 0 131 ARG 3.75 8.21 0 37 ALA -6.07 2.30 0 18 GLN 4.06 -2.74 1 19 MET 4.33 1.18 1 20 ALA 5.57 0.62 1 21 GLU 3.16 1.82 1 23 TRP -1.08 3.96 1 25 LYS 4.74 2.52 1 26 GLU 1.65 1.59 1 27 ILE 1.46 1.79 1 28 LEU 2.48 4.00 1 30 GLU 2.66 0.88 1 32 TRP -3.10 -0.96 1 33 ASN -1.55 -3.11 1 34 VAL -1.97 -2.80 1 36 SER -5.64 -3.21 1 44 VAL 2.59 -0.93 1 45 ASN -0.96 1.07 1 47 LYS 3.73 3.46 1 48 ALA 2.64 3.68 1 49 ILE 5.54 -0.56 1 50 GLU 2.65 3.22 1 51 ALA 5.07 3.90 1 52 MET 3.32 2.59 1 53 LYS 4.27 4.87 1 54 GLU 2.15 1.12 1 55 VAL 0.56 -4.68 1 56 ASP 3.60 -3.03 1 57 ILE -1.55 -3.84 1 58 ASP -1.46 0.48 1 59 ILE 1.49 -0.56 1 60 SER 4.48 -1.10 1 61 ASN -0.03 -0.06 1 62 HIS 0.32 -0.14 1 63 THR -2.12 -2.37 1 64 SER -2.09 -3.21 1 66 LEU -2.07 1.99 1 67 ILE 3.51 -3.37 1 68 ASP -3.99 0.01 1 69 ASN 3.01 2.05 1 70 ASP 4.11 3.06 1 71 ILE 5.03 4.60 1 72 LEU 3.50 2.23 1 73 LYS 3.72 0.41 1 74 GLN -2.00 -0.39 1 75 SER 3.48 -2.98 1 76 ASP 1.07 -0.46 1 77 LEU -3.59 -6.44 1 78 VAL -2.47 -4.21 1 79 VAL -4.00 -0.22 1 80 THR -2.63 1.14 1 83 SER 5.50 1.01 1 84 ASP 3.60 -0.22 1 85 ALA 2.54 0.15 1 86 ASP 3.10 -0.46 1 87 ASN 2.50 -1.23 1 88 ASN -0.44 0.17 1 91 ILE 2.20 -1.03 1 92 LEU -0.76 -2.67 1 95 ASN 2.50 -1.70 1 96 VAL 1.07 -2.33 1 97 LYS -0.83 -3.10 1 98 LYS -3.87 -1.23 1 99 GLU -6.97 -4.98 1 100 HIS -2.71 -1.30 1 103 PHE -3.93 -2.77 1 104 ASP 0.06 0.48 1 107 ALA 2.54 -5.71 1 109 LYS -2.35 -1.69 1 110 GLU -0.88 0.41 1 111 TRP 1.46 1.38 1 112 SER 3.98 3.35 1 113 GLU 1.13 2.76 1 114 PHE 6.19 2.85 1 115 GLN 3.56 -0.16 1 116 ARG 4.76 3.53 1 117 VAL 6.13 0.71 1 118 ARG 4.27 3.99 1 119 ASP 4.62 3.53 1 120 GLU 2.65 5.10 1 121 ILE 6.55 0.14 1 122 LYS 4.74 0.88 1 123 LEU 2.98 1.76 1 124 ALA 3.04 4.60 1 125 ILE 6.05 0.84 1 126 GLU 4.18 4.40 1 127 LYS 4.23 4.40 1 128 PHE 3.67 1.68 1 129 LYS 2.72 -0.05 1 130 LEU -0.55 -1.05 1 stop_ save_