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 bmr6705_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -5.61 _LACS_plot.Line_1_terminator_val_y_1 0.42 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 2.84 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.99 _LACS_plot.Line_2_terminator_val_x_2 7.37 _LACS_plot.Line_2_terminator_val_y_2 7.77 _LACS_plot.Y_axis_chem_shift_offset -2.32 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 58 TYR -5.61 0.26 0 52 ASP 1.04 0.59 0 67 PHE 2.65 7.63 0 10 ASP 4.41 5.91 1 11 ASP 3.75 5.28 1 12 ILE 5.33 7.50 1 13 ALA 4.12 5.24 1 14 ALA 3.48 4.80 1 15 ALA 2.78 4.36 1 16 LEU 2.94 4.13 1 17 GLN 4.38 5.35 1 18 GLU 0.99 3.68 1 20 ARG 3.93 5.76 1 21 ASP 2.13 2.91 1 23 ASP 7.06 6.56 1 24 THR -0.61 2.72 1 25 PHE 1.79 4.06 1 26 GLU -4.66 0.67 1 28 GLN 5.78 6.36 1 29 LYS 3.37 5.08 1 30 PHE 3.69 6.50 1 31 PHE 4.40 3.93 1 32 GLN 3.66 5.07 1 33 THR 6.35 6.84 1 34 SER 3.14 5.21 1 36 LEU 2.86 5.70 1 37 SER 2.94 4.93 1 38 LYS -0.49 1.80 1 39 MET -0.36 2.57 1 40 SER -1.81 1.78 1 41 ALA 4.50 5.54 1 42 ASN 4.48 5.48 1 43 GLN 3.22 5.58 1 44 VAL 6.78 7.61 1 45 LYS 4.52 5.87 1 46 ASP 4.37 5.20 1 47 VAL 6.59 7.23 1 48 PHE 5.45 6.85 1 49 ARG 3.83 5.36 1 50 PHE 2.45 4.27 1 51 ILE 2.85 3.36 1 53 ASN 1.75 6.18 1 54 ASP -0.16 0.80 1 55 GLN 4.63 3.68 1 56 SER 0.18 3.69 1 59 LEU -1.31 0.22 1 60 ASP -5.23 -0.40 1 61 GLU 4.73 6.91 1 62 GLU 3.76 5.33 1 63 GLU 2.53 4.24 1 64 LEU 3.03 5.57 1 65 LYS 5.06 5.94 1 66 PHE 0.45 1.80 1 68 LEU 3.83 4.75 1 69 GLN 2.95 3.08 1 70 LYS 1.89 1.35 1 71 PHE 3.21 4.69 1 72 GLU -2.58 3.17 1 73 SER 4.06 5.60 1 75 ALA -2.64 1.76 1 76 ARG -0.54 1.21 1 77 GLU -1.20 2.17 1 78 LEU -0.16 2.03 1 79 THR -2.60 1.00 1 80 GLU 3.82 5.54 1 81 SER 4.84 5.78 1 82 GLU 1.23 4.61 1 83 THR 7.38 7.77 1 84 LYS 4.73 5.61 1 85 SER 4.47 5.65 1 86 LEU 1.98 3.44 1 87 MET 4.15 4.68 1 88 ALA 1.99 4.19 1 89 ALA 1.72 3.62 1 90 ALA -3.61 2.37 1 91 ASP 1.76 2.40 1 92 ASN 1.08 4.44 1 93 ASP 0.22 1.23 1 95 ASP 0.04 1.53 1 97 LYS -5.34 0.26 1 98 ILE -1.80 1.52 1 100 ALA 4.45 5.70 1 101 GLU 5.46 5.59 1 102 GLU 1.90 4.36 1 103 PHE 3.71 6.69 1 104 GLN 5.34 6.17 1 105 GLU 1.04 3.21 1 106 MET 4.00 5.95 1 107 VAL 4.83 5.35 1 108 HIS -1.76 2.47 1 109 SER 1.73 5.24 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6705_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -5.61 _LACS_plot.Line_1_terminator_val_y_1 6.03 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.84 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 2.99 _LACS_plot.Line_2_terminator_val_x_2 7.37 _LACS_plot.Line_2_terminator_val_y_2 0.40 _LACS_plot.Y_axis_chem_shift_offset -2.32 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 58 TYR -5.61 5.87 0 52 ASP 1.04 -0.45 0 67 PHE 2.65 4.98 0 10 ASP 4.41 1.50 1 11 ASP 3.75 1.53 1 12 ILE 5.33 2.17 1 13 ALA 4.12 1.12 1 14 ALA 3.48 1.32 1 15 ALA 2.78 1.58 1 16 LEU 2.94 1.19 1 17 GLN 4.38 0.97 1 18 GLU 0.99 2.69 1 20 ARG 3.93 1.83 1 21 ASP 2.13 0.78 1 23 ASP 7.06 -0.50 1 24 THR -0.61 3.33 1 25 PHE 1.79 2.27 1 26 GLU -4.66 5.33 1 28 GLN 5.78 0.58 1 29 LYS 3.37 1.71 1 30 PHE 3.69 2.81 1 31 PHE 4.40 -0.47 1 32 GLN 3.66 1.41 1 33 THR 6.35 0.49 1 34 SER 3.14 2.07 1 36 LEU 2.86 2.84 1 37 SER 2.94 1.99 1 38 LYS -0.49 2.29 1 39 MET -0.36 2.93 1 40 SER -1.81 3.59 1 41 ALA 4.50 1.04 1 42 ASN 4.48 1.00 1 43 GLN 3.22 2.36 1 44 VAL 6.78 0.83 1 45 LYS 4.52 1.35 1 46 ASP 4.37 0.83 1 47 VAL 6.59 0.64 1 48 PHE 5.45 1.40 1 49 ARG 3.83 1.53 1 50 PHE 2.45 1.82 1 51 ILE 2.85 0.51 1 53 ASN 1.75 4.43 1 54 ASP -0.16 0.96 1 55 GLN 4.63 -0.95 1 56 SER 0.18 3.51 1 59 LEU -1.31 1.53 1 60 ASP -5.23 4.83 1 61 GLU 4.73 2.18 1 62 GLU 3.76 1.57 1 63 GLU 2.53 1.71 1 64 LEU 3.03 2.54 1 65 LYS 5.06 0.88 1 66 PHE 0.45 1.35 1 68 LEU 3.83 0.92 1 69 GLN 2.95 0.13 1 70 LYS 1.89 -0.54 1 71 PHE 3.21 1.48 1 72 GLU -2.58 5.75 1 73 SER 4.06 1.54 1 75 ALA -2.64 4.40 1 76 ARG -0.54 1.75 1 77 GLU -1.20 3.37 1 78 LEU -0.16 2.19 1 79 THR -2.60 3.60 1 80 GLU 3.82 1.72 1 81 SER 4.84 0.94 1 82 GLU 1.23 3.38 1 83 THR 7.38 0.39 1 84 LYS 4.73 0.88 1 85 SER 4.47 1.18 1 86 LEU 1.98 1.46 1 87 MET 4.15 0.53 1 88 ALA 1.99 2.20 1 89 ALA 1.72 1.90 1 90 ALA -3.61 5.98 1 91 ASP 1.76 0.64 1 92 ASN 1.08 3.36 1 93 ASP 0.22 1.01 1 95 ASP 0.04 1.49 1 97 LYS -5.34 5.60 1 98 ILE -1.80 3.32 1 100 ALA 4.45 1.25 1 101 GLU 5.46 0.13 1 102 GLU 1.90 2.46 1 103 PHE 3.71 2.98 1 104 GLN 5.34 0.83 1 105 GLU 1.04 2.17 1 106 MET 4.00 1.95 1 107 VAL 4.83 0.52 1 108 HIS -1.76 4.23 1 109 SER 1.73 3.51 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6705_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -5.61 _LACS_plot.Line_1_terminator_val_y_1 0.18 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.39 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.10 _LACS_plot.Line_2_terminator_val_x_2 7.37 _LACS_plot.Line_2_terminator_val_y_2 -0.78 _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 100 ALA 4.45 -2.05 0 10 ASP 4.41 -0.36 1 11 ASP 3.75 -0.39 1 12 ILE 5.33 -1.15 1 13 ALA 4.12 -0.45 1 14 ALA 3.48 -0.44 1 15 ALA 2.78 -0.59 1 16 LEU 2.94 -0.31 1 17 GLN 4.38 -0.44 1 18 GLU 0.99 -0.31 1 20 ARG 3.93 -0.36 1 21 ASP 2.13 -0.14 1 23 ASP 7.06 -0.34 1 24 THR -0.61 0.07 1 25 PHE 1.79 -0.43 1 26 GLU -4.66 -0.30 1 28 GLN 5.78 -0.63 1 29 LYS 3.37 -0.54 1 30 PHE 3.69 -0.52 1 31 PHE 4.40 -0.42 1 32 GLN 3.66 -0.19 1 33 THR 6.35 -0.82 1 34 SER 3.14 -1.20 1 36 LEU 2.86 -0.40 1 37 SER 2.94 -0.60 1 38 LYS -0.49 -0.03 1 39 MET -0.36 -0.12 1 40 SER -1.81 -0.14 1 41 ALA 4.50 -0.58 1 42 ASN 4.48 -0.55 1 43 GLN 3.22 -0.21 1 44 VAL 6.78 -0.76 1 45 LYS 4.52 -0.41 1 46 ASP 4.37 -0.49 1 47 VAL 6.59 -0.66 1 48 PHE 5.45 -1.65 1 49 ARG 3.83 -0.61 1 50 PHE 2.45 -0.52 1 51 ILE 2.85 -0.82 1 52 ASP 1.04 -0.70 1 53 ASN 1.75 -0.91 1 54 ASP -0.16 -0.24 1 55 GLN 4.63 -0.76 1 56 SER 0.18 -0.41 1 58 TYR -5.61 0.67 1 59 LEU -1.31 0.86 1 60 ASP -5.23 0.17 1 61 GLU 4.73 -0.87 1 62 GLU 3.76 -0.57 1 63 GLU 2.53 -0.36 1 64 LEU 3.03 -0.44 1 65 LYS 5.06 -0.82 1 66 PHE 0.45 -0.17 1 67 PHE 2.65 -0.90 1 68 LEU 3.83 -0.61 1 69 GLN 2.95 0.11 1 70 LYS 1.89 -0.54 1 71 PHE 3.21 -0.59 1 72 GLU -2.58 -0.25 1 73 SER 4.06 -0.29 1 75 ALA -2.64 -0.19 1 76 ARG -0.54 -0.04 1 77 GLU -1.20 -0.39 1 78 LEU -0.16 0.00 1 79 THR -2.60 -0.20 1 80 GLU 3.82 -0.39 1 81 SER 4.84 -0.45 1 82 GLU 1.23 -0.46 1 83 THR 7.38 -0.89 1 84 LYS 4.73 -0.54 1 85 SER 4.47 -0.37 1 86 LEU 1.98 -0.54 1 87 MET 4.15 -0.44 1 88 ALA 1.99 -0.38 1 89 ALA 1.72 -0.32 1 90 ALA -3.61 0.10 1 91 ASP 1.76 -0.11 1 92 ASN 1.08 -0.34 1 93 ASP 0.22 -0.18 1 95 ASP 0.04 -0.34 1 97 LYS -5.34 0.33 1 98 ILE -1.80 0.70 1 101 GLU 5.46 -0.49 1 102 GLU 1.90 -0.34 1 103 PHE 3.71 -0.84 1 104 GLN 5.34 -1.01 1 105 GLU 1.04 -0.62 1 106 MET 4.00 -0.51 1 107 VAL 4.83 -1.40 1 108 HIS -1.76 -0.07 1 109 SER 1.73 -0.40 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6705_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -5.61 _LACS_plot.Line_1_terminator_val_y_1 1.47 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 3.54 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 2.53 _LACS_plot.Line_2_terminator_val_x_2 7.37 _LACS_plot.Line_2_terminator_val_y_2 4.74 _LACS_plot.Y_axis_chem_shift_offset -3.00 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 26 GLU -4.66 1.12 0 109 SER 1.73 6.65 0 63 GLU 2.53 6.92 0 30 PHE 3.69 7.13 0 60 ASP -5.23 2.03 0 23 ASP 7.06 2.08 0 97 LYS -5.34 1.45 0 58 TYR -5.61 1.31 0 10 ASP 4.41 4.86 1 11 ASP 3.75 4.70 1 12 ILE 5.33 3.14 1 13 ALA 4.12 5.56 1 14 ALA 3.48 4.76 1 15 ALA 2.78 5.19 1 16 LEU 2.94 5.48 1 17 GLN 4.38 5.14 1 18 GLU 0.99 2.58 1 20 ARG 3.93 3.58 1 21 ASP 2.13 1.56 1 24 THR -0.61 3.59 1 25 PHE 1.79 0.86 1 28 GLN 5.78 5.14 1 29 LYS 3.37 3.22 1 31 PHE 4.40 3.68 1 32 GLN 3.66 5.77 1 33 THR 6.35 3.55 1 34 SER 3.14 1.14 1 36 LEU 2.86 2.90 1 37 SER 2.94 2.56 1 38 LYS -0.49 2.81 1 39 MET -0.36 2.62 1 40 SER -1.81 2.73 1 41 ALA 4.50 4.82 1 42 ASN 4.48 4.79 1 43 GLN 3.22 5.07 1 44 VAL 6.78 4.21 1 45 LYS 4.52 4.26 1 46 ASP 4.37 4.50 1 47 VAL 6.59 3.36 1 48 PHE 5.45 3.04 1 49 ARG 3.83 4.30 1 50 PHE 2.45 3.55 1 51 ILE 2.85 2.33 1 52 ASP 1.04 2.34 1 53 ASN 1.75 3.02 1 54 ASP -0.16 2.41 1 55 GLN 4.63 2.32 1 56 SER 0.18 3.56 1 59 LEU -1.31 0.93 1 61 GLU 4.73 4.14 1 62 GLU 3.76 4.10 1 64 LEU 3.03 2.09 1 65 LYS 5.06 4.49 1 66 PHE 0.45 1.59 1 67 PHE 2.65 3.14 1 68 LEU 3.83 5.13 1 69 GLN 2.95 4.22 1 70 LYS 1.89 1.89 1 71 PHE 3.21 1.96 1 72 GLU -2.58 1.65 1 73 SER 4.06 3.21 1 75 ALA -2.64 0.75 1 76 ARG -0.54 2.24 1 77 GLU -1.20 4.55 1 78 LEU -0.16 3.04 1 79 THR -2.60 3.56 1 80 GLU 3.82 4.67 1 81 SER 4.84 4.84 1 82 GLU 1.23 5.57 1 83 THR 7.38 4.62 1 84 LYS 4.73 5.70 1 85 SER 4.47 5.45 1 86 LEU 1.98 3.14 1 87 MET 4.15 4.00 1 88 ALA 1.99 4.50 1 89 ALA 1.72 3.07 1 90 ALA -3.61 3.31 1 91 ASP 1.76 2.80 1 92 ASN 1.08 3.79 1 93 ASP 0.22 4.19 1 95 ASP 0.04 3.67 1 98 ILE -1.80 2.84 1 100 ALA 4.45 4.95 1 101 GLU 5.46 5.04 1 102 GLU 1.90 5.88 1 103 PHE 3.71 2.32 1 104 GLN 5.34 3.67 1 105 GLU 1.04 3.06 1 106 MET 4.00 3.11 1 107 VAL 4.83 2.41 1 108 HIS -1.76 2.53 1 stop_ save_