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 bmr19991_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.68 _LACS_plot.Line_1_terminator_val_y_1 -2.73 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.50 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.08 _LACS_plot.Line_2_terminator_val_x_2 6.76 _LACS_plot.Line_2_terminator_val_y_2 4.97 _LACS_plot.Y_axis_chem_shift_offset -0.13 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 23 HIS 4.56 6.67 0 78 GLN -9.68 -1.89 0 10 VAL -0.23 0.08 1 12 GLN 2.98 2.38 1 13 GLU 2.21 2.03 1 14 VAL 2.61 1.96 1 15 LEU 2.22 1.77 1 16 ASN 0.09 -0.11 1 17 LEU -1.31 0.03 1 19 LEU 3.58 3.34 1 20 GLU 4.98 3.71 1 21 LYS 2.24 1.26 1 22 TYR 6.42 3.98 1 24 GLU 2.73 2.93 1 25 GLU 2.47 2.32 1 26 ALA 4.15 2.89 1 27 ASP 5.44 3.25 1 28 ASP 2.89 3.45 1 29 TYR 4.56 4.36 1 30 LEU 4.57 2.96 1 31 ASP 3.64 3.31 1 32 HIS 5.21 3.98 1 33 LEU 3.02 2.36 1 34 LEU 4.84 3.54 1 35 ASP 4.28 3.34 1 36 SER 4.33 3.38 1 37 LEU 2.57 2.38 1 38 GLU 3.96 3.17 1 39 GLU 3.79 2.97 1 40 LEU 2.79 2.97 1 41 SER 2.33 2.34 1 42 GLU 3.03 2.08 1 43 ALA 0.43 0.84 1 44 HIS -0.54 -0.86 1 46 ASP 2.17 0.69 1 48 ILE -1.73 -0.83 1 50 ASP -4.14 -0.04 1 51 VAL -2.77 -1.72 1 52 GLU -2.57 -1.54 1 53 LEU -4.97 -1.02 1 54 SER -1.74 -1.15 1 55 HIS 3.34 1.94 1 57 VAL -1.06 -0.35 1 58 MET -5.46 -2.24 1 59 THR -1.52 -0.91 1 60 LEU -3.96 -1.14 1 61 GLU -2.13 -1.05 1 62 ILE -0.82 -0.65 1 64 ALA 3.20 2.33 1 65 PHE -4.86 -2.05 1 67 THR 0.88 1.33 1 68 TYR -3.19 -0.15 1 69 VAL -2.77 -0.58 1 72 LYS 2.37 2.32 1 76 ASN -2.36 -0.51 1 77 LYS 5.90 1.59 1 79 ILE -0.37 1.30 1 80 TRP -4.01 -2.50 1 81 LEU -7.84 -1.69 1 82 ALA -0.83 -0.60 1 83 SER -4.59 -4.76 1 85 LEU -0.03 0.89 1 86 SER -0.48 -1.04 1 89 ASN -5.09 -0.47 1 90 ARG -2.88 -0.35 1 91 PHE -0.76 0.94 1 92 ASP -5.73 -0.53 1 93 LEU 0.68 -1.42 1 94 LEU -3.78 -1.60 1 95 ASN 2.19 0.83 1 97 GLU -6.86 -3.00 1 98 TRP 0.16 -1.26 1 99 VAL -5.51 -1.51 1 100 SER -1.44 -2.39 1 101 LEU 3.41 1.55 1 102 ARG 2.80 2.25 1 103 ASN -1.69 -0.85 1 105 THR 0.01 0.82 1 106 LYS -0.46 -0.39 1 107 LEU 6.08 3.80 1 108 THR 5.04 4.71 1 109 ASP 4.47 3.26 1 110 ILE 3.65 3.20 1 111 LEU 2.96 2.78 1 112 THR 6.59 5.51 1 113 GLU 3.35 2.84 1 114 GLU 6.47 4.61 1 115 VAL 6.76 4.94 1 116 GLU 4.52 3.34 1 117 LYS 4.15 3.33 1 118 ALA 2.92 2.33 1 119 ILE 3.27 2.38 1 120 SER 2.09 1.75 1 121 LYS 1.73 0.68 1 122 SER -0.06 0.33 1 123 GLN 0.80 1.77 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19991_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.68 _LACS_plot.Line_1_terminator_val_y_1 6.95 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.50 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.92 _LACS_plot.Line_2_terminator_val_x_2 6.76 _LACS_plot.Line_2_terminator_val_y_2 -1.79 _LACS_plot.Y_axis_chem_shift_offset -0.13 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 23 HIS 4.56 2.11 0 78 GLN -9.68 7.79 0 10 VAL -0.23 0.31 1 12 GLN 2.98 -0.60 1 13 GLU 2.21 -0.18 1 14 VAL 2.61 -0.65 1 15 LEU 2.22 -0.45 1 16 ASN 0.09 -0.20 1 17 LEU -1.31 1.34 1 19 LEU 3.58 -0.24 1 20 GLU 4.98 -1.27 1 21 LYS 2.24 -0.98 1 22 TYR 6.42 -2.44 1 24 GLU 2.73 0.20 1 25 GLU 2.47 -0.15 1 26 ALA 4.15 -1.26 1 27 ASP 5.44 -2.19 1 28 ASP 2.89 0.56 1 29 TYR 4.56 -0.20 1 30 LEU 4.57 -1.61 1 31 ASP 3.64 -0.33 1 32 HIS 5.21 -1.23 1 33 LEU 3.02 -0.66 1 34 LEU 4.84 -1.30 1 35 ASP 4.28 -0.94 1 36 SER 4.33 -0.95 1 37 LEU 2.57 -0.19 1 38 GLU 3.96 -0.79 1 39 GLU 3.79 -0.82 1 40 LEU 2.79 0.18 1 41 SER 2.33 0.01 1 42 GLU 3.03 -0.95 1 43 ALA 0.43 0.41 1 44 HIS -0.54 -0.32 1 46 ASP 2.17 -1.48 1 48 ILE -1.73 0.90 1 50 ASP -4.14 4.10 1 51 VAL -2.77 1.05 1 52 GLU -2.57 1.03 1 53 LEU -4.97 3.95 1 54 SER -1.74 0.59 1 55 HIS 3.34 -1.40 1 57 VAL -1.06 0.71 1 58 MET -5.46 3.22 1 59 THR -1.52 0.61 1 60 LEU -3.96 2.82 1 61 GLU -2.13 1.08 1 62 ILE -0.82 0.17 1 64 ALA 3.20 -0.87 1 65 PHE -4.86 2.81 1 67 THR 0.88 0.45 1 68 TYR -3.19 3.04 1 69 VAL -2.77 2.19 1 72 LYS 2.37 -0.05 1 76 ASN -2.36 1.85 1 77 LYS 5.90 -4.31 1 79 ILE -0.37 1.67 1 80 TRP -4.01 1.51 1 81 LEU -7.84 6.15 1 82 ALA -0.83 0.23 1 83 SER -4.59 -0.17 1 85 LEU -0.03 0.92 1 86 SER -0.48 -0.56 1 89 ASN -5.09 4.62 1 90 ARG -2.88 2.53 1 91 PHE -0.76 1.70 1 92 ASP -5.73 5.20 1 93 LEU 0.68 -2.10 1 94 LEU -3.78 2.18 1 95 ASN 2.19 -1.36 1 97 GLU -6.86 3.86 1 98 TRP 0.16 -1.42 1 99 VAL -5.51 4.00 1 100 SER -1.44 -0.95 1 101 LEU 3.41 -1.86 1 102 ARG 2.80 -0.55 1 103 ASN -1.69 0.84 1 105 THR 0.01 0.81 1 106 LYS -0.46 0.07 1 107 LEU 6.08 -2.28 1 108 THR 5.04 -0.33 1 109 ASP 4.47 -1.21 1 110 ILE 3.65 -0.45 1 111 LEU 2.96 -0.18 1 112 THR 6.59 -1.08 1 113 GLU 3.35 -0.51 1 114 GLU 6.47 -1.86 1 115 VAL 6.76 -1.82 1 116 GLU 4.52 -1.18 1 117 LYS 4.15 -0.82 1 118 ALA 2.92 -0.59 1 119 ILE 3.27 -0.89 1 120 SER 2.09 -0.34 1 121 LYS 1.73 -1.05 1 122 SER -0.06 0.39 1 123 GLN 0.80 0.97 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19991_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -9.68 _LACS_plot.Line_1_terminator_val_y_1 1.24 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.11 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.35 _LACS_plot.Line_2_terminator_val_x_2 6.76 _LACS_plot.Line_2_terminator_val_y_2 -0.66 _LACS_plot.Y_axis_chem_shift_offset -0.12 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 77 LYS 5.90 0.67 0 10 VAL -0.23 -0.05 1 12 GLN 2.98 -0.33 1 13 GLU 2.21 -0.20 1 14 VAL 2.61 -0.10 1 15 LEU 2.22 -0.18 1 16 ASN 0.09 -0.10 1 17 LEU -1.31 -0.05 1 19 LEU 3.58 -0.27 1 20 GLU 4.98 -0.03 1 21 LYS 2.24 0.07 1 22 TYR 6.42 -0.49 1 23 HIS 4.56 -1.15 1 24 GLU 2.73 -0.27 1 25 GLU 2.47 -0.05 1 26 ALA 4.15 -0.42 1 27 ASP 5.44 -0.37 1 28 ASP 2.89 -0.23 1 29 TYR 4.56 -0.35 1 30 LEU 4.57 -0.59 1 31 ASP 3.64 -0.42 1 32 HIS 5.21 -0.36 1 33 LEU 3.02 -0.40 1 34 LEU 4.84 -0.49 1 35 ASP 4.28 -0.31 1 36 SER 4.33 -0.22 1 37 LEU 2.57 -0.21 1 38 GLU 3.96 -0.41 1 39 GLU 3.79 -0.27 1 40 LEU 2.79 -0.11 1 41 SER 2.33 -0.23 1 42 GLU 3.03 -0.35 1 43 ALA 0.43 -0.15 1 44 HIS -0.54 0.11 1 46 ASP 2.17 -0.27 1 48 ILE -1.73 0.61 1 50 ASP -4.14 0.37 1 51 VAL -2.77 0.80 1 52 GLU -2.57 -0.19 1 53 LEU -4.97 0.85 1 54 SER -1.74 0.07 1 57 VAL -1.06 0.38 1 58 MET -5.46 1.27 1 59 THR -1.52 0.83 1 60 LEU -3.96 0.66 1 61 GLU -2.13 0.58 1 62 ILE -0.82 0.74 1 64 ALA 3.20 -0.28 1 65 PHE -4.86 0.57 1 67 THR 0.88 0.47 1 68 TYR -3.19 0.36 1 69 VAL -2.77 0.99 1 72 LYS 2.37 0.17 1 76 ASN -2.36 0.08 1 78 GLN -9.68 1.54 1 79 ILE -0.37 0.38 1 80 TRP -4.01 1.10 1 81 LEU -7.84 0.99 1 82 ALA -0.83 -0.01 1 83 SER -4.59 0.05 1 85 LEU -0.03 -0.01 1 86 SER -0.48 -0.01 1 89 ASN -5.09 -0.10 1 90 ARG -2.88 0.39 1 91 PHE -0.76 0.17 1 92 ASP -5.73 0.76 1 93 LEU 0.68 -0.55 1 94 LEU -3.78 0.19 1 95 ASN 2.19 -0.45 1 97 GLU -6.86 0.36 1 98 TRP 0.16 0.53 1 99 VAL -5.51 1.18 1 100 SER -1.44 0.53 1 101 LEU 3.41 -0.13 1 102 ARG 2.80 -0.14 1 103 ASN -1.69 0.21 1 105 THR 0.01 -0.04 1 106 LYS -0.46 0.85 1 107 LEU 6.08 -1.08 1 108 THR 5.04 -0.65 1 109 ASP 4.47 -0.23 1 110 ILE 3.65 -0.13 1 111 LEU 2.96 -0.33 1 112 THR 6.59 -0.62 1 113 GLU 3.35 -0.29 1 114 GLU 6.47 -0.42 1 115 VAL 6.76 -0.57 1 116 GLU 4.52 -0.43 1 117 LYS 4.15 -0.20 1 118 ALA 2.92 -0.54 1 119 ILE 3.27 -0.14 1 120 SER 2.09 -0.15 1 121 LYS 1.73 0.01 1 122 SER -0.06 -0.09 1 123 GLN 0.80 -0.12 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19991_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -9.68 _LACS_plot.Line_1_terminator_val_y_1 -4.75 _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 -1.01 _LACS_plot.Line_2_terminator_val_x_2 6.76 _LACS_plot.Line_2_terminator_val_y_2 3.00 _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 78 GLN -9.68 3.05 0 10 VAL -0.23 -0.83 1 12 GLN 2.98 0.84 1 13 GLU 2.21 1.31 1 14 VAL 2.61 1.26 1 15 LEU 2.22 0.73 1 16 ASN 0.09 -0.41 1 17 LEU -1.31 -1.60 1 19 LEU 3.58 0.47 1 20 GLU 4.98 2.44 1 21 LYS 2.24 1.11 1 22 TYR 6.42 -0.11 1 23 HIS 4.56 2.91 1 24 GLU 2.73 3.06 1 25 GLU 2.47 3.47 1 26 ALA 4.15 0.72 1 27 ASP 5.44 2.91 1 28 ASP 2.89 2.37 1 29 TYR 4.56 0.72 1 30 LEU 4.57 0.62 1 31 ASP 3.64 2.74 1 32 HIS 5.21 3.56 1 33 LEU 3.02 0.77 1 34 LEU 4.84 0.40 1 35 ASP 4.28 2.92 1 36 SER 4.33 4.63 1 37 LEU 2.57 1.60 1 38 GLU 3.96 3.06 1 39 GLU 3.79 3.24 1 40 LEU 2.79 1.03 1 41 SER 2.33 4.08 1 42 GLU 3.03 2.02 1 43 ALA 0.43 0.03 1 44 HIS -0.54 -0.18 1 46 ASP 2.17 0.72 1 48 ILE -1.73 -2.62 1 50 ASP -4.14 -3.12 1 51 VAL -2.77 -3.48 1 52 GLU -2.57 -3.33 1 53 LEU -4.97 -2.53 1 54 SER -1.74 0.30 1 57 VAL -1.06 -1.32 1 58 MET -5.46 -1.76 1 59 THR -1.52 -1.24 1 60 LEU -3.96 -3.83 1 61 GLU -2.13 -2.12 1 62 ILE -0.82 -0.56 1 64 ALA 3.20 0.11 1 65 PHE -4.86 -0.66 1 67 THR 0.88 -0.19 1 68 TYR -3.19 -0.37 1 69 VAL -2.77 -0.52 1 72 LYS 2.37 -0.14 1 76 ASN -2.36 -2.16 1 77 LYS 5.90 -2.56 1 79 ILE -0.37 -1.84 1 80 TRP -4.01 -2.74 1 81 LEU -7.84 -3.04 1 82 ALA -0.83 -2.26 1 83 SER -4.59 2.31 1 85 LEU -0.03 0.05 1 86 SER -0.48 2.87 1 89 ASN -5.09 -2.26 1 90 ARG -2.88 -1.33 1 91 PHE -0.76 -1.93 1 92 ASP -5.73 -2.59 1 93 LEU 0.68 -2.81 1 94 LEU -3.78 -0.98 1 95 ASN 2.19 0.39 1 97 GLU -6.86 -3.08 1 98 TRP 0.16 1.13 1 99 VAL -5.51 -1.79 1 100 SER -1.44 -0.09 1 101 LEU 3.41 0.52 1 102 ARG 2.80 1.02 1 103 ASN -1.69 1.08 1 105 THR 0.01 -0.72 1 106 LYS -0.46 0.24 1 107 LEU 6.08 -0.12 1 109 ASP 4.47 1.88 1 110 ILE 3.65 0.91 1 111 LEU 2.96 1.03 1 112 THR 6.59 3.97 1 113 GLU 3.35 2.96 1 114 GLU 6.47 1.92 1 115 VAL 6.76 2.05 1 116 GLU 4.52 3.32 1 117 LYS 4.15 2.61 1 118 ALA 2.92 2.12 1 119 ILE 3.27 1.54 1 120 SER 2.09 3.28 1 121 LYS 1.73 0.07 1 122 SER -0.06 -0.92 1 123 GLN 0.80 4.59 1 stop_ save_