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 bmr11599_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -5.73 _LACS_plot.Line_1_terminator_val_y_1 -1.89 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.61 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.60 _LACS_plot.Line_2_terminator_val_x_2 5.85 _LACS_plot.Line_2_terminator_val_y_2 4.58 _LACS_plot.Y_axis_chem_shift_offset 0.03 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 27 HIS -4.49 0.69 0 84 GLN -2.90 -4.15 0 10 ASP -2.11 -1.21 1 12 PHE 0.73 -0.24 1 13 ALA -0.20 0.22 1 14 ASP -0.08 0.09 1 15 THR 0.11 0.07 1 17 ASP -0.03 0.30 1 18 ASP 0.15 0.30 1 19 GLU 0.83 0.78 1 20 THR 0.81 0.64 1 21 ALA 0.28 0.40 1 22 THR 0.34 -0.01 1 23 SER 0.01 -0.09 1 24 ASN -0.09 0.16 1 25 TYR -1.86 -0.85 1 26 ILE -1.03 -0.59 1 28 ILE -1.02 -0.78 1 29 ARG -4.31 -1.30 1 30 ILE -5.47 -2.55 1 31 GLN -3.98 -1.08 1 32 GLN -1.60 -0.71 1 33 ARG -2.14 -0.97 1 36 ARG 0.83 -0.01 1 37 LYS 0.18 -0.10 1 38 THR 0.63 1.27 1 39 LEU -5.31 -1.14 1 40 THR -1.11 -0.05 1 41 THR -3.70 -2.19 1 42 VAL -1.46 -0.62 1 43 GLN -4.60 -1.12 1 45 VAL 3.21 2.28 1 47 GLU 2.49 2.39 1 48 GLU 3.35 2.22 1 49 TYR 0.45 0.17 1 50 ASP -0.53 -0.65 1 51 LEU 3.86 3.32 1 52 LYS 5.59 3.99 1 53 ARG 4.01 3.07 1 54 ILE 5.57 4.25 1 55 LEU 4.15 3.18 1 56 LYS 4.63 3.98 1 57 VAL 5.59 4.32 1 58 LEU 4.63 2.87 1 59 LYS 3.19 3.08 1 60 LYS 2.76 2.75 1 61 ASP 1.56 1.90 1 62 PHE -0.59 -1.23 1 63 ALA 3.00 0.56 1 65 ASN -2.94 -0.95 1 67 ASN -3.91 -0.33 1 68 ILE -0.99 -0.92 1 69 VAL -5.12 -2.40 1 70 LYS -0.04 -1.09 1 71 ASP -4.96 -0.59 1 73 GLU -0.79 0.77 1 74 MET -1.25 0.84 1 76 GLU 0.62 0.99 1 77 ILE -5.33 -1.60 1 78 ILE -1.50 0.06 1 79 GLN -4.13 -1.44 1 80 LEU -5.73 -2.54 1 81 GLN 1.34 1.43 1 83 ASP -0.54 -1.97 1 85 ARG 4.31 4.77 1 86 ALA 3.98 2.61 1 87 LYS 3.45 2.93 1 88 VAL 5.86 4.27 1 90 GLU 3.55 2.76 1 91 PHE 4.40 3.68 1 92 MET 4.30 3.67 1 93 ILE 2.19 2.45 1 94 SER 2.87 2.80 1 95 GLN 2.30 1.04 1 96 LEU 0.55 -0.48 1 98 LEU -0.00 -0.70 1 99 GLN -1.86 -0.99 1 100 LYS 4.58 3.46 1 101 LYS 3.26 1.66 1 102 ASN -0.43 0.63 1 103 ILE -1.70 -0.63 1 104 LYS -2.57 -2.26 1 105 ILE -0.01 -0.63 1 106 HIS -3.33 0.94 1 108 PHE 1.26 1.70 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11599_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -5.73 _LACS_plot.Line_1_terminator_val_y_1 3.84 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.39 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.40 _LACS_plot.Line_2_terminator_val_x_2 5.85 _LACS_plot.Line_2_terminator_val_y_2 -1.27 _LACS_plot.Y_axis_chem_shift_offset 0.03 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 27 HIS -4.49 5.18 0 84 GLN -2.90 -1.25 0 10 ASP -2.11 0.90 1 12 PHE 0.73 -0.97 1 13 ALA -0.20 0.42 1 14 ASP -0.08 0.17 1 15 THR 0.11 -0.04 1 17 ASP -0.03 0.33 1 18 ASP 0.15 0.15 1 19 GLU 0.83 -0.05 1 20 THR 0.81 -0.17 1 21 ALA 0.28 0.12 1 22 THR 0.34 -0.35 1 23 SER 0.01 -0.10 1 24 ASN -0.09 0.25 1 25 TYR -1.86 1.01 1 26 ILE -1.03 0.44 1 28 ILE -1.02 0.24 1 29 ARG -4.31 3.01 1 30 ILE -5.47 2.92 1 31 GLN -3.98 2.90 1 32 GLN -1.60 0.89 1 33 ARG -2.14 1.17 1 36 ARG 0.83 -0.84 1 37 LYS 0.18 -0.28 1 38 THR 0.63 0.64 1 39 LEU -5.31 4.17 1 40 THR -1.11 1.06 1 41 THR -3.70 1.51 1 42 VAL -1.46 0.84 1 43 GLN -4.60 3.48 1 45 VAL 3.21 -0.93 1 47 GLU 2.49 -0.10 1 48 GLU 3.35 -1.13 1 49 TYR 0.45 -0.28 1 50 ASP -0.53 -0.12 1 51 LEU 3.86 -0.54 1 52 LYS 5.59 -1.60 1 53 ARG 4.01 -0.94 1 54 ILE 5.57 -1.32 1 55 LEU 4.15 -0.97 1 56 LYS 4.63 -0.65 1 57 VAL 5.59 -1.27 1 58 LEU 4.63 -1.76 1 59 LYS 3.19 -0.11 1 60 LYS 2.76 -0.01 1 61 ASP 1.56 0.34 1 62 PHE -0.59 -0.64 1 63 ALA 3.00 -2.44 1 65 ASN -2.94 1.99 1 67 ASN -3.91 3.58 1 68 ILE -0.99 0.07 1 69 VAL -5.12 2.72 1 70 LYS -0.04 -1.05 1 71 ASP -4.96 4.37 1 73 GLU -0.79 1.56 1 74 MET -1.25 2.09 1 76 GLU 0.62 0.37 1 77 ILE -5.33 3.73 1 78 ILE -1.50 1.56 1 79 GLN -4.13 2.69 1 80 LEU -5.73 3.19 1 81 GLN 1.34 0.09 1 83 ASP -0.54 -1.43 1 85 ARG 4.31 0.46 1 86 ALA 3.98 -1.37 1 87 LYS 3.45 -0.52 1 88 VAL 5.86 -1.59 1 90 GLU 3.55 -0.79 1 91 PHE 4.40 -0.72 1 92 MET 4.30 -0.63 1 93 ILE 2.19 0.26 1 94 SER 2.87 -0.07 1 95 GLN 2.30 -1.26 1 96 LEU 0.55 -1.03 1 98 LEU -0.00 -0.70 1 99 GLN -1.86 0.87 1 100 LYS 4.58 -1.12 1 101 LYS 3.26 -1.60 1 102 ASN -0.43 1.06 1 103 ILE -1.70 1.07 1 104 LYS -2.57 0.31 1 105 ILE -0.01 -0.62 1 106 HIS -3.33 4.27 1 108 PHE 1.26 0.44 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11599_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -5.73 _LACS_plot.Line_1_terminator_val_y_1 0.74 _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 0.30 _LACS_plot.Line_2_terminator_val_x_2 5.85 _LACS_plot.Line_2_terminator_val_y_2 -0.64 _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 41 THR -3.70 1.19 0 71 ASP -4.96 0.04 0 40 THR -1.11 1.03 0 28 ILE -1.02 1.02 0 10 ASP -2.11 -0.10 1 12 PHE 0.73 -0.02 1 13 ALA -0.20 -0.09 1 14 ASP -0.08 0.03 1 15 THR 0.11 -0.02 1 17 ASP -0.03 -0.02 1 18 ASP 0.15 -0.06 1 19 GLU 0.83 -0.06 1 20 THR 0.81 -0.07 1 21 ALA 0.28 0.05 1 22 THR 0.34 0.36 1 23 SER 0.01 -0.02 1 24 ASN -0.09 0.00 1 25 TYR -1.86 0.28 1 26 ILE -1.03 0.36 1 27 HIS -4.49 0.67 1 29 ARG -4.31 0.62 1 30 ILE -5.47 1.27 1 31 GLN -3.98 0.36 1 32 GLN -1.60 0.64 1 33 ARG -2.14 0.09 1 36 ARG 0.83 -0.10 1 37 LYS 0.18 0.11 1 38 THR 0.63 0.32 1 39 LEU -5.31 0.99 1 42 VAL -1.46 0.62 1 43 GLN -4.60 0.65 1 45 VAL 3.21 -0.72 1 47 GLU 2.49 -0.22 1 48 GLU 3.35 -0.32 1 49 TYR 0.45 -0.07 1 50 ASP -0.53 -0.09 1 51 LEU 3.86 -0.49 1 52 LYS 5.59 -0.48 1 53 ARG 4.01 -0.34 1 54 ILE 5.57 -0.62 1 55 LEU 4.15 -0.60 1 56 LYS 4.63 -0.47 1 57 VAL 5.59 -0.43 1 58 LEU 4.63 -0.71 1 59 LYS 3.19 -0.02 1 60 LYS 2.76 -0.23 1 61 ASP 1.56 -0.01 1 62 PHE -0.59 0.10 1 63 ALA 3.00 -0.16 1 65 ASN -2.94 0.16 1 67 ASN -3.91 0.19 1 68 ILE -0.99 0.76 1 69 VAL -5.12 0.30 1 70 LYS -0.04 0.09 1 73 GLU -0.79 0.09 1 74 MET -1.25 -0.15 1 76 GLU 0.62 0.35 1 77 ILE -5.33 0.72 1 78 ILE -1.50 0.24 1 79 GLN -4.13 0.94 1 80 LEU -5.73 0.91 1 81 GLN 1.34 -0.03 1 83 ASP -0.54 -0.17 1 84 GLN -2.90 0.72 1 85 ARG 4.31 -0.82 1 86 ALA 3.98 -0.36 1 87 LYS 3.45 -0.34 1 88 VAL 5.86 -0.62 1 90 GLU 3.55 -0.34 1 91 PHE 4.40 -0.59 1 92 MET 4.30 -0.90 1 93 ILE 2.19 -0.08 1 94 SER 2.87 -0.26 1 95 GLN 2.30 0.01 1 96 LEU 0.55 0.06 1 98 LEU -0.00 -0.05 1 99 GLN -1.86 0.06 1 100 LYS 4.58 -0.62 1 101 LYS 3.26 -0.15 1 102 ASN -0.43 0.18 1 103 ILE -1.70 0.34 1 104 LYS -2.57 0.08 1 105 ILE -0.01 0.42 1 106 HIS -3.33 -0.07 1 108 PHE 1.26 -0.16 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11599_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -5.73 _LACS_plot.Line_1_terminator_val_y_1 -1.92 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.54 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.73 _LACS_plot.Line_2_terminator_val_x_2 5.85 _LACS_plot.Line_2_terminator_val_y_2 1.76 _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 108 PHE 1.26 5.14 0 10 ASP -2.11 -0.41 1 12 PHE 0.73 -0.12 1 13 ALA -0.20 -0.51 1 14 ASP -0.08 0.30 1 15 THR 0.11 0.73 1 17 ASP -0.03 -0.30 1 18 ASP 0.15 0.38 1 19 GLU 0.83 0.47 1 20 THR 0.81 0.12 1 21 ALA 0.28 0.27 1 22 THR 0.34 0.12 1 23 SER 0.01 -1.02 1 24 ASN -0.09 -1.09 1 25 TYR -1.86 -0.71 1 26 ILE -1.03 -1.33 1 27 HIS -4.49 1.59 1 28 ILE -1.02 -1.97 1 29 ARG -4.31 -1.40 1 30 ILE -5.47 -1.70 1 31 GLN -3.98 -1.68 1 32 GLN -1.60 -0.73 1 33 ARG -2.14 -0.68 1 36 ARG 0.83 -0.59 1 37 LYS 0.18 -0.47 1 38 THR 0.63 -0.93 1 39 LEU -5.31 -1.35 1 40 THR -1.11 -0.85 1 41 THR -3.70 -0.79 1 42 VAL -1.46 -2.28 1 43 GLN -4.60 -1.26 1 45 VAL 3.21 0.16 1 47 GLU 2.49 0.52 1 48 GLU 3.35 -0.04 1 49 TYR 0.45 -1.54 1 50 ASP -0.53 0.20 1 51 LEU 3.86 1.17 1 52 LYS 5.59 3.15 1 53 ARG 4.01 2.40 1 54 ILE 5.57 0.74 1 55 LEU 4.15 -0.21 1 56 LYS 4.63 2.80 1 57 VAL 5.59 1.88 1 58 LEU 4.63 1.89 1 59 LYS 3.19 2.12 1 60 LYS 2.76 2.12 1 61 ASP 1.56 1.40 1 62 PHE -0.59 -1.11 1 63 ALA 3.00 -1.46 1 65 ASN -2.94 -0.66 1 67 ASN -3.91 -2.43 1 68 ILE -0.99 -0.30 1 69 VAL -5.12 -2.78 1 70 LYS -0.04 -1.70 1 71 ASP -4.96 0.66 1 73 GLU -0.79 1.60 1 74 MET -1.25 -0.02 1 76 GLU 0.62 -0.18 1 77 ILE -5.33 -0.80 1 78 ILE -1.50 -1.68 1 79 GLN -4.13 -1.40 1 80 LEU -5.73 -1.92 1 81 GLN 1.34 1.14 1 83 ASP -0.54 -0.74 1 84 GLN -2.90 1.27 1 85 ARG 4.31 0.69 1 86 ALA 3.98 2.76 1 87 LYS 3.45 2.41 1 88 VAL 5.86 0.91 1 90 GLU 3.55 2.42 1 91 PHE 4.40 1.27 1 92 MET 4.30 1.13 1 93 ILE 2.19 2.24 1 94 SER 2.87 1.38 1 95 GLN 2.30 1.38 1 96 LEU 0.55 -0.15 1 98 LEU -0.00 -2.03 1 99 GLN -1.86 1.22 1 100 LYS 4.58 1.72 1 101 LYS 3.26 -0.26 1 102 ASN -0.43 -2.12 1 103 ILE -1.70 -1.98 1 104 LYS -2.57 -2.28 1 105 ILE -0.01 -0.55 1 106 HIS -3.33 1.73 1 stop_ save_