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 bmr27732_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.60 _LACS_plot.Line_1_terminator_val_y_1 -3.86 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.06 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.97 _LACS_plot.Line_2_terminator_val_x_2 5.47 _LACS_plot.Line_2_terminator_val_y_2 3.71 _LACS_plot.Y_axis_chem_shift_offset -0.25 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 51 ILE -9.60 -5.29 0 26 HIS -7.86 -1.68 0 12 ASN 2.03 0.26 1 14 VAL -1.75 0.91 1 15 ASP -1.87 0.27 1 16 PHE -2.58 -1.39 1 18 LYS -4.75 -2.87 1 19 LYS 4.16 3.17 1 21 ASP 0.62 1.14 1 22 PHE -0.34 0.11 1 23 VAL -5.29 -3.73 1 24 THR -0.59 -0.29 1 25 ILE -6.76 -2.43 1 27 TYR -6.84 -1.91 1 28 THR 0.03 2.12 1 30 ARG -6.15 -1.81 1 31 LEU -1.17 -1.80 1 32 THR 4.41 3.36 1 33 ASP 0.78 -0.62 1 35 SER 1.53 1.11 1 36 LYS -0.43 -0.11 1 37 PHE -2.80 -1.34 1 38 ASP -1.91 0.86 1 39 SER -1.87 -1.15 1 40 SER 5.47 3.39 1 41 VAL 4.96 3.77 1 42 ASP 3.39 2.46 1 43 ARG -0.03 0.59 1 44 ASN 2.03 0.97 1 45 GLU -4.41 -0.86 1 47 PHE -2.96 -0.37 1 48 GLN -4.48 -2.18 1 49 THR -1.03 -1.93 1 50 GLN 0.24 0.40 1 53 THR -0.60 -1.56 1 55 ARG 0.91 0.76 1 56 VAL -7.47 -4.27 1 57 ILE 1.65 0.93 1 58 LYS 3.95 3.67 1 60 TRP 2.10 1.59 1 61 ASP 4.48 3.81 1 62 GLU -0.82 0.03 1 64 VAL 0.19 0.19 1 66 GLN -2.25 0.08 1 67 MET -4.39 -2.56 1 68 SER 2.06 2.70 1 69 LEU -2.50 0.36 1 71 GLU -2.94 -1.22 1 72 LYS -6.57 -1.46 1 73 ALA -2.60 -1.11 1 74 VAL -3.78 -1.88 1 75 LEU 2.81 1.73 1 76 THR -3.95 -0.77 1 77 ILE 3.48 1.30 1 78 THR 3.82 2.09 1 80 ASP -0.64 -0.33 1 81 TYR 1.19 0.88 1 83 TYR 2.70 2.47 1 85 ALA 1.87 1.70 1 86 ARG -1.30 -1.17 1 88 PHE 2.32 2.64 1 91 VAL -1.42 -0.58 1 92 ILE 2.83 1.45 1 95 ASN 1.32 1.60 1 96 SER 2.71 2.20 1 97 THR -5.48 -1.94 1 98 LEU -1.43 -0.74 1 99 ILE -5.28 -1.88 1 100 PHE -1.34 -0.29 1 101 GLU -3.98 -1.10 1 102 VAL -5.84 -2.58 1 103 GLU 0.61 -0.47 1 104 LEU -0.92 0.77 1 105 LEU -3.02 0.14 1 107 ILE 4.64 2.58 1 108 ASN 1.34 0.81 1 109 ASN -0.43 0.53 1 110 LYS -3.60 -1.92 1 111 ARG 1.45 1.62 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27732_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.60 _LACS_plot.Line_1_terminator_val_y_1 5.74 _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 1.03 _LACS_plot.Line_2_terminator_val_x_2 5.47 _LACS_plot.Line_2_terminator_val_y_2 -1.76 _LACS_plot.Y_axis_chem_shift_offset -0.25 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 51 ILE -9.60 4.31 0 26 HIS -7.86 6.18 0 12 ASN 2.03 -1.77 1 14 VAL -1.75 2.66 1 15 ASP -1.87 2.14 1 16 PHE -2.58 1.19 1 18 LYS -4.75 1.88 1 19 LYS 4.16 -0.99 1 21 ASP 0.62 0.52 1 22 PHE -0.34 0.45 1 23 VAL -5.29 1.56 1 24 THR -0.59 0.30 1 25 ILE -6.76 4.33 1 27 TYR -6.84 4.93 1 28 THR 0.03 2.09 1 30 ARG -6.15 4.34 1 31 LEU -1.17 -0.63 1 32 THR 4.41 -1.05 1 33 ASP 0.78 -1.40 1 35 SER 1.53 -0.42 1 36 LYS -0.43 0.32 1 37 PHE -2.80 1.46 1 38 ASP -1.91 2.77 1 39 SER -1.87 0.72 1 40 SER 5.47 -2.08 1 41 VAL 4.96 -1.19 1 42 ASP 3.39 -0.93 1 43 ARG -0.03 0.62 1 44 ASN 2.03 -1.06 1 45 GLU -4.41 3.55 1 47 PHE -2.96 2.59 1 48 GLN -4.48 2.30 1 49 THR -1.03 -0.90 1 50 GLN 0.24 0.16 1 53 THR -0.60 -0.96 1 55 ARG 0.91 -0.15 1 56 VAL -7.47 3.20 1 57 ILE 1.65 -0.72 1 58 LYS 3.95 -0.28 1 60 TRP 2.10 -0.51 1 61 ASP 4.48 -0.67 1 62 GLU -0.82 0.85 1 64 VAL 0.19 0.00 1 66 GLN -2.25 2.33 1 67 MET -4.39 1.83 1 68 SER 2.06 0.64 1 69 LEU -2.50 2.86 1 71 GLU -2.94 1.72 1 72 LYS -6.57 5.11 1 73 ALA -2.60 1.49 1 74 VAL -3.78 1.90 1 75 LEU 2.81 -1.08 1 76 THR -3.95 3.18 1 77 ILE 3.48 -2.18 1 78 THR 3.82 -1.73 1 80 ASP -0.64 0.31 1 81 TYR 1.19 -0.31 1 83 TYR 2.70 -0.23 1 85 ALA 1.87 -0.17 1 86 ARG -1.30 0.13 1 88 PHE 2.32 0.32 1 91 VAL -1.42 0.84 1 92 ILE 2.83 -1.38 1 95 ASN 1.32 0.28 1 96 SER 2.71 -0.51 1 97 THR -5.48 3.54 1 98 LEU -1.43 0.69 1 99 ILE -5.28 3.40 1 100 PHE -1.34 1.05 1 101 GLU -3.98 2.88 1 102 VAL -5.84 3.26 1 103 GLU 0.61 -1.08 1 104 LEU -0.92 1.69 1 105 LEU -3.02 3.16 1 107 ILE 4.64 -2.06 1 108 ASN 1.34 -0.53 1 109 ASN -0.43 0.96 1 110 LYS -3.60 1.68 1 111 ARG 1.45 0.17 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27732_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -9.60 _LACS_plot.Line_1_terminator_val_y_1 1.37 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.12 _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 5.47 _LACS_plot.Line_2_terminator_val_y_2 -0.58 _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 51 ILE -9.60 0.55 0 12 ASN 2.03 -0.37 1 14 VAL -1.75 0.32 1 15 ASP -1.87 0.27 1 16 PHE -2.58 0.31 1 18 LYS -4.75 0.26 1 19 LYS 4.16 -0.53 1 21 ASP 0.62 0.17 1 22 PHE -0.34 0.36 1 23 VAL -5.29 1.04 1 24 THR -0.59 0.72 1 25 ILE -6.76 1.32 1 26 HIS -7.86 1.19 1 27 TYR -6.84 1.79 1 28 THR 0.03 0.23 1 30 ARG -6.15 1.12 1 31 LEU -1.17 0.70 1 32 THR 4.41 -0.40 1 33 ASP 0.78 -0.06 1 35 SER 1.53 -0.24 1 36 LYS -0.43 0.41 1 37 PHE -2.80 0.48 1 38 ASP -1.91 0.27 1 39 SER -1.87 0.31 1 40 SER 5.47 -0.37 1 41 VAL 4.96 -1.14 1 42 ASP 3.39 -0.38 1 43 ARG -0.03 0.08 1 44 ASN 2.03 -0.31 1 45 GLU -4.41 0.31 1 47 PHE -2.96 0.26 1 48 GLN -4.48 1.25 1 49 THR -1.03 0.17 1 50 GLN 0.24 0.11 1 53 THR -0.60 0.24 1 55 ARG 0.91 -0.13 1 56 VAL -7.47 0.35 1 57 ILE 1.65 -0.36 1 58 LYS 3.95 -0.27 1 60 TRP 2.10 -0.10 1 61 ASP 4.48 -0.08 1 62 GLU -0.82 0.12 1 64 VAL 0.19 -0.04 1 66 GLN -2.25 -0.01 1 67 MET -4.39 0.22 1 68 SER 2.06 -0.80 1 69 LEU -2.50 -0.27 1 71 GLU -2.94 1.11 1 72 LYS -6.57 0.85 1 73 ALA -2.60 1.14 1 74 VAL -3.78 1.10 1 75 LEU 2.81 0.70 1 76 THR -3.95 0.90 1 77 ILE 3.48 0.02 1 78 THR 3.82 -0.22 1 80 ASP -0.64 -0.05 1 81 TYR 1.19 0.02 1 83 TYR 2.70 -0.21 1 85 ALA 1.87 -0.17 1 86 ARG -1.30 -0.12 1 88 PHE 2.32 -0.10 1 91 VAL -1.42 -0.01 1 92 ILE 2.83 -0.68 1 95 ASN 1.32 0.16 1 96 SER 2.71 0.28 1 97 THR -5.48 0.66 1 98 LEU -1.43 0.94 1 99 ILE -5.28 1.39 1 100 PHE -1.34 0.59 1 101 GLU -3.98 0.91 1 102 VAL -5.84 1.04 1 103 GLU 0.61 0.36 1 104 LEU -0.92 0.02 1 105 LEU -3.02 0.28 1 107 ILE 4.64 -0.36 1 108 ASN 1.34 0.00 1 109 ASN -0.43 0.07 1 110 LYS -3.60 0.64 1 111 ARG 1.45 -0.41 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27732_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -9.60 _LACS_plot.Line_1_terminator_val_y_1 -2.79 _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 -0.89 _LACS_plot.Line_2_terminator_val_x_2 5.47 _LACS_plot.Line_2_terminator_val_y_2 1.29 _LACS_plot.Y_axis_chem_shift_offset 0.29 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 111 ARG 1.45 -7.50 0 12 ASN 2.03 2.32 1 14 VAL -1.75 -1.55 1 15 ASP -1.87 -3.64 1 16 PHE -2.58 0.00 1 18 LYS -4.75 -0.95 1 19 LYS 4.16 1.03 1 21 ASP 0.62 -0.49 1 22 PHE -0.34 0.81 1 23 VAL -5.29 -2.21 1 24 THR -0.59 -0.31 1 25 ILE -6.76 -1.83 1 26 HIS -7.86 2.77 1 27 TYR -6.84 -1.73 1 28 THR 0.03 -1.60 1 30 ARG -6.15 -0.44 1 31 LEU -1.17 2.97 1 32 THR 4.41 0.80 1 33 ASP 0.78 0.73 1 35 SER 1.53 -1.26 1 36 LYS -0.43 0.25 1 37 PHE -2.80 -1.07 1 38 ASP -1.91 -1.36 1 39 SER -1.87 0.06 1 40 SER 5.47 2.06 1 41 VAL 4.96 4.14 1 42 ASP 3.39 0.88 1 43 ARG -0.03 -0.84 1 44 ASN 2.03 -0.94 1 45 GLU -4.41 -2.90 1 47 PHE -2.96 -2.35 1 48 GLN -4.48 -1.51 1 49 THR -1.03 -3.30 1 50 GLN 0.24 -0.06 1 51 ILE -9.60 -2.81 1 53 THR -0.60 0.69 1 55 ARG 0.91 -0.43 1 56 VAL -7.47 -1.48 1 57 ILE 1.65 0.88 1 58 LYS 3.95 2.93 1 60 TRP 2.10 1.26 1 61 ASP 4.48 1.13 1 62 GLU -0.82 2.33 1 64 VAL 0.19 0.54 1 66 GLN -2.25 -3.70 1 67 MET -4.39 0.89 1 68 SER 2.06 -1.25 1 69 LEU -2.50 -1.80 1 71 GLU -2.94 -0.94 1 72 LYS -6.57 -2.57 1 73 ALA -2.60 0.66 1 74 VAL -3.78 -1.93 1 75 LEU 2.81 0.26 1 76 THR -3.95 -1.48 1 77 ILE 3.48 1.40 1 78 THR 3.82 0.51 1 80 ASP -0.64 -2.33 1 81 TYR 1.19 0.72 1 83 TYR 2.70 0.96 1 85 ALA 1.87 2.55 1 86 ARG -1.30 -2.80 1 88 PHE 2.32 -1.05 1 91 VAL -1.42 -0.20 1 92 ILE 2.83 -0.59 1 95 ASN 1.32 -0.67 1 96 SER 2.71 -1.48 1 97 THR -5.48 -2.60 1 98 LEU -1.43 0.28 1 99 ILE -5.28 0.00 1 100 PHE -1.34 -0.34 1 101 GLU -3.98 -3.34 1 102 VAL -5.84 -1.10 1 103 GLU 0.61 -3.31 1 104 LEU -0.92 -0.04 1 105 LEU -3.02 -0.80 1 107 ILE 4.64 -0.30 1 108 ASN 1.34 -0.63 1 109 ASN -0.43 -0.52 1 110 LYS -3.60 -0.98 1 stop_ save_