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 bmr5779_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.19 _LACS_plot.Line_1_terminator_val_y_1 -3.01 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.73 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.67 _LACS_plot.Line_2_terminator_val_x_2 6.32 _LACS_plot.Line_2_terminator_val_y_2 4.99 _LACS_plot.Y_axis_chem_shift_offset -0.70 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 97 HIS 2.32 4.76 0 43 GLN -3.48 1.47 0 10 LYS -1.10 -0.35 1 11 LEU -0.04 1.04 1 12 ASP 0.40 0.16 1 14 ASP 4.65 3.66 1 15 THR 6.32 4.82 1 16 ALA 4.22 3.38 1 17 ILE 5.44 5.10 1 18 ASP 4.03 3.60 1 19 ILE 3.75 3.98 1 20 ALA 2.94 2.46 1 21 TYR 4.04 3.69 1 22 ASP 3.70 3.51 1 23 ILE 5.83 4.51 1 24 PHE 6.02 5.89 1 25 LEU 3.09 2.57 1 26 GLU 2.18 2.42 1 27 MET -1.70 1.80 1 28 ALA 5.88 4.13 1 30 GLU -2.09 -0.68 1 31 ASN -0.52 1.85 1 32 LEU -2.79 -1.44 1 33 ASP -0.31 1.39 1 35 ALA 3.40 3.11 1 36 ASP 2.47 3.44 1 37 ILE 4.47 3.10 1 38 LEU 4.28 3.69 1 39 LEU 3.66 3.72 1 40 PHE 5.21 4.59 1 41 ASN 3.87 3.32 1 42 LEU 0.95 2.20 1 44 PHE 5.34 5.12 1 45 GLU 3.83 3.09 1 46 GLU 1.00 1.38 1 47 ARG -1.04 -0.58 1 50 VAL -1.15 -0.47 1 51 GLU -5.61 -1.61 1 52 PHE -1.03 0.06 1 53 VAL -5.37 -3.19 1 54 GLU 0.48 0.40 1 55 THR 2.05 1.27 1 56 ALA -1.25 0.44 1 57 ASP -0.60 0.33 1 58 ASP 0.10 -0.79 1 59 TRP 5.02 4.24 1 60 GLU 3.53 3.26 1 61 GLU 2.31 2.15 1 62 GLU 0.18 1.54 1 63 ILE -0.62 0.51 1 65 VAL -4.71 -2.38 1 66 LEU 1.43 0.69 1 67 ILE -4.19 -3.33 1 68 ASP -2.64 -1.60 1 70 GLU 0.78 1.08 1 71 GLU -0.92 0.63 1 72 TYR -5.93 -0.64 1 73 ALA -5.36 -2.48 1 74 GLU -4.16 -1.53 1 75 VAL -6.90 -2.40 1 76 TRP -7.19 -3.11 1 77 VAL -2.86 -1.05 1 79 LEU -3.50 -1.93 1 80 VAL -2.66 -1.53 1 81 ASN -2.03 -1.72 1 82 GLU 3.21 2.63 1 83 GLN 1.39 0.09 1 84 ASP 3.72 2.19 1 85 GLU -3.69 -2.15 1 86 MET 1.65 0.88 1 87 ASP -0.95 -0.02 1 88 ASP -1.43 -0.50 1 89 VAL 0.95 0.75 1 90 PHE 0.82 1.94 1 91 ALA -5.38 -0.42 1 92 LYS -4.28 -0.98 1 93 PHE -3.91 -0.31 1 94 LEU -3.82 -1.77 1 95 ILE -4.82 -1.35 1 96 SER 1.14 0.85 1 98 ARG 1.70 0.96 1 99 GLU -0.13 1.66 1 100 GLU 1.41 0.80 1 101 ASP 1.82 0.83 1 102 ARG 2.44 1.65 1 103 GLU -6.21 -2.20 1 104 PHE -5.94 -2.38 1 105 HIS -5.09 -0.16 1 106 VAL -4.47 -2.56 1 107 ILE -2.44 -0.83 1 108 TRP -3.10 -1.07 1 109 LYS 1.44 2.01 1 110 LYS 0.04 1.42 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5779_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.19 _LACS_plot.Line_1_terminator_val_y_1 4.18 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.27 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 1.33 _LACS_plot.Line_2_terminator_val_x_2 6.32 _LACS_plot.Line_2_terminator_val_y_2 -1.33 _LACS_plot.Y_axis_chem_shift_offset -0.70 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 97 HIS 2.32 2.44 0 43 GLN -3.48 4.95 0 10 LYS -1.10 0.75 1 11 LEU -0.04 1.08 1 12 ASP 0.40 -0.24 1 14 ASP 4.65 -0.99 1 15 THR 6.32 -1.50 1 16 ALA 4.22 -0.84 1 17 ILE 5.44 -0.34 1 18 ASP 4.03 -0.43 1 19 ILE 3.75 0.23 1 20 ALA 2.94 -0.48 1 21 TYR 4.04 -0.35 1 22 ASP 3.70 -0.19 1 23 ILE 5.83 -1.32 1 24 PHE 6.02 -0.13 1 25 LEU 3.09 -0.52 1 26 GLU 2.18 0.24 1 27 MET -1.70 3.50 1 28 ALA 5.88 -1.75 1 30 GLU -2.09 1.41 1 31 ASN -0.52 2.37 1 32 LEU -2.79 1.35 1 33 ASP -0.31 1.70 1 35 ALA 3.40 -0.29 1 36 ASP 2.47 0.97 1 37 ILE 4.47 -1.37 1 38 LEU 4.28 -0.59 1 39 LEU 3.66 0.06 1 40 PHE 5.21 -0.62 1 41 ASN 3.87 -0.55 1 42 LEU 0.95 1.25 1 44 PHE 5.34 -0.22 1 45 GLU 3.83 -0.74 1 46 GLU 1.00 0.38 1 47 ARG -1.04 0.46 1 50 VAL -1.15 0.68 1 51 GLU -5.61 4.00 1 52 PHE -1.03 1.09 1 53 VAL -5.37 2.18 1 54 GLU 0.48 -0.08 1 55 THR 2.05 -0.78 1 56 ALA -1.25 1.69 1 57 ASP -0.60 0.93 1 58 ASP 0.10 -0.89 1 59 TRP 5.02 -0.78 1 60 GLU 3.53 -0.27 1 61 GLU 2.31 -0.16 1 62 GLU 0.18 1.36 1 63 ILE -0.62 1.13 1 65 VAL -4.71 2.33 1 66 LEU 1.43 -0.74 1 67 ILE -4.19 0.86 1 68 ASP -2.64 1.04 1 70 GLU 0.78 0.30 1 71 GLU -0.92 1.55 1 72 TYR -5.93 5.29 1 73 ALA -5.36 2.88 1 74 GLU -4.16 2.63 1 75 VAL -6.90 4.50 1 76 TRP -7.19 4.08 1 77 VAL -2.86 1.81 1 79 LEU -3.50 1.57 1 80 VAL -2.66 1.13 1 81 ASN -2.03 0.31 1 82 GLU 3.21 -0.58 1 83 GLN 1.39 -1.30 1 84 ASP 3.72 -1.53 1 85 GLU -3.69 1.54 1 86 MET 1.65 -0.77 1 87 ASP -0.95 0.93 1 88 ASP -1.43 0.93 1 89 VAL 0.95 -0.20 1 90 PHE 0.82 1.12 1 91 ALA -5.38 4.96 1 92 LYS -4.28 3.30 1 93 PHE -3.91 3.60 1 94 LEU -3.82 2.05 1 95 ILE -4.82 3.47 1 96 SER 1.14 -0.29 1 98 ARG 1.70 -0.74 1 99 GLU -0.13 1.79 1 100 GLU 1.41 -0.61 1 101 ASP 1.82 -0.99 1 102 ARG 2.44 -0.79 1 103 GLU -6.21 4.01 1 104 PHE -5.94 3.56 1 105 HIS -5.09 4.93 1 106 VAL -4.47 1.91 1 107 ILE -2.44 1.61 1 108 TRP -3.10 2.03 1 109 LYS 1.44 0.57 1 110 LYS 0.04 1.38 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5779_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.19 _LACS_plot.Line_1_terminator_val_y_1 0.77 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.23 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.17 _LACS_plot.Line_2_terminator_val_x_2 6.32 _LACS_plot.Line_2_terminator_val_y_2 -0.64 _LACS_plot.Y_axis_chem_shift_offset 0.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 50 VAL -1.15 1.03 0 74 GLU -4.16 1.38 0 20 ALA 2.94 -1.30 0 10 LYS -1.10 -0.70 1 11 LEU -0.04 -0.16 1 12 ASP 0.40 -0.27 1 14 ASP 4.65 -0.36 1 15 THR 6.32 -0.34 1 16 ALA 4.22 -0.50 1 17 ILE 5.44 -0.64 1 18 ASP 4.03 -0.22 1 19 ILE 3.75 -0.48 1 21 TYR 4.04 -0.47 1 22 ASP 3.70 -0.34 1 23 ILE 5.83 -0.55 1 24 PHE 6.02 -0.55 1 25 LEU 3.09 -0.66 1 26 GLU 2.18 -0.27 1 27 MET -1.70 0.03 1 28 ALA 5.88 -1.20 1 30 GLU -2.09 -0.04 1 31 ASN -0.52 -0.37 1 32 LEU -2.79 0.24 1 33 ASP -0.31 -0.23 1 35 ALA 3.40 -0.13 1 36 ASP 2.47 0.34 1 37 ILE 4.47 -0.50 1 38 LEU 4.28 -0.14 1 39 LEU 3.66 -0.16 1 40 PHE 5.21 -0.61 1 41 ASN 3.87 -0.35 1 42 LEU 0.95 0.03 1 43 GLN -3.48 0.39 1 44 PHE 5.34 -0.95 1 45 GLU 3.83 -0.41 1 46 GLU 1.00 -0.09 1 47 ARG -1.04 0.40 1 51 GLU -5.61 0.49 1 52 PHE -1.03 0.28 1 53 VAL -5.37 0.20 1 54 GLU 0.48 -0.30 1 55 THR 2.05 0.23 1 56 ALA -1.25 0.03 1 57 ASP -0.60 0.12 1 58 ASP 0.10 0.25 1 59 TRP 5.02 -0.60 1 60 GLU 3.53 -0.32 1 61 GLU 2.31 -0.38 1 62 GLU 0.18 -0.01 1 63 ILE -0.62 0.43 1 65 VAL -4.71 0.16 1 66 LEU 1.43 -0.23 1 67 ILE -4.19 0.07 1 68 ASP -2.64 0.15 1 70 GLU 0.78 -0.10 1 71 GLU -0.92 0.01 1 72 TYR -5.93 -0.03 1 73 ALA -5.36 0.43 1 75 VAL -6.90 1.04 1 76 TRP -7.19 1.34 1 77 VAL -2.86 0.92 1 79 LEU -3.50 0.77 1 80 VAL -2.66 0.67 1 81 ASN -2.03 0.11 1 82 GLU 3.21 -0.19 1 83 GLN 1.39 0.10 1 84 ASP 3.72 -0.49 1 85 GLU -3.69 0.13 1 86 MET 1.65 0.23 1 87 ASP -0.95 0.00 1 88 ASP -1.43 0.10 1 89 VAL 0.95 -0.13 1 90 PHE 0.82 0.09 1 91 ALA -5.38 0.50 1 92 LYS -4.28 0.81 1 93 PHE -3.91 0.59 1 94 LEU -3.82 0.99 1 95 ILE -4.82 0.59 1 96 SER 1.14 -0.66 1 97 HIS 2.32 -0.37 1 98 ARG 1.70 -0.27 1 99 GLU -0.13 -0.41 1 100 GLU 1.41 -0.28 1 101 ASP 1.82 -0.36 1 102 ARG 2.44 -0.59 1 103 GLU -6.21 0.32 1 104 PHE -5.94 1.13 1 105 HIS -5.09 -0.01 1 106 VAL -4.47 0.87 1 107 ILE -2.44 0.05 1 108 TRP -3.10 0.17 1 109 LYS 1.44 -0.24 1 110 LYS 0.04 0.04 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5779_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.19 _LACS_plot.Line_1_terminator_val_y_1 -2.88 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.25 _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 6.32 _LACS_plot.Line_2_terminator_val_y_2 1.68 _LACS_plot.Y_axis_chem_shift_offset 0.46 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 14 ASP 4.65 -2.18 0 97 HIS 2.32 4.11 0 10 LYS -1.10 0.51 1 11 LEU -0.04 -1.80 1 15 THR 6.32 0.90 1 16 ALA 4.22 0.03 1 17 ILE 5.44 -0.14 1 18 ASP 4.03 2.43 1 19 ILE 3.75 1.26 1 20 ALA 2.94 0.08 1 21 TYR 4.04 0.19 1 22 ASP 3.70 2.91 1 23 ILE 5.83 1.27 1 24 PHE 6.02 0.30 1 25 LEU 3.09 2.09 1 26 GLU 2.18 1.43 1 27 MET -1.70 1.57 1 28 ALA 5.88 0.95 1 30 GLU -2.09 -0.83 1 31 ASN -0.52 -2.34 1 32 LEU -2.79 -2.01 1 35 ALA 3.40 2.69 1 36 ASP 2.47 1.28 1 37 ILE 4.47 0.87 1 38 LEU 4.28 0.69 1 39 LEU 3.66 1.02 1 40 PHE 5.21 1.21 1 41 ASN 3.87 2.70 1 42 LEU 0.95 -0.23 1 44 PHE 5.34 1.50 1 46 GLU 1.00 2.77 1 47 ARG -1.04 -2.37 1 50 VAL -1.15 -1.65 1 51 GLU -5.61 -3.07 1 52 PHE -1.03 -1.79 1 53 VAL -5.37 -2.86 1 54 GLU 0.48 -0.85 1 55 THR 2.05 -0.15 1 56 ALA -1.25 -0.62 1 57 ASP -0.60 1.03 1 58 ASP 0.10 0.98 1 59 TRP 5.02 1.89 1 60 GLU 3.53 2.01 1 61 GLU 2.31 0.41 1 62 GLU 0.18 1.10 1 63 ILE -0.62 0.63 1 65 VAL -4.71 -3.61 1 66 LEU 1.43 -1.83 1 67 ILE -4.19 -1.70 1 70 GLU 0.78 0.83 1 71 GLU -0.92 -0.77 1 72 TYR -5.93 -3.01 1 73 ALA -5.36 -3.34 1 74 GLU -4.16 -2.82 1 75 VAL -6.90 -1.47 1 76 TRP -7.19 -1.24 1 77 VAL -2.86 -0.48 1 79 LEU -3.50 -2.12 1 80 VAL -2.66 0.13 1 81 ASN -2.03 1.94 1 82 GLU 3.21 -0.08 1 83 GLN 1.39 -1.74 1 84 ASP 3.72 1.66 1 85 GLU -3.69 -1.24 1 86 MET 1.65 -2.11 1 87 ASP -0.95 -0.99 1 88 ASP -1.43 -2.44 1 89 VAL 0.95 -0.45 1 90 PHE 0.82 -0.92 1 91 ALA -5.38 -3.74 1 92 LYS -4.28 -3.15 1 93 PHE -3.91 -1.42 1 94 LEU -3.82 -1.07 1 95 ILE -4.82 -0.75 1 96 SER 1.14 -0.69 1 99 GLU -0.13 0.42 1 100 GLU 1.41 -0.95 1 101 ASP 1.82 -1.17 1 102 ARG 2.44 -1.02 1 103 GLU -6.21 -3.30 1 104 PHE -5.94 -2.65 1 105 HIS -5.09 -1.13 1 106 VAL -4.47 -3.10 1 107 ILE -2.44 -1.57 1 108 TRP -3.10 -0.18 1 109 LYS 1.44 -1.76 1 stop_ save_