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 bmr19500_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.05 _LACS_plot.Line_1_terminator_val_y_1 -2.34 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.00 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.48 _LACS_plot.Line_2_terminator_val_x_2 6.78 _LACS_plot.Line_2_terminator_val_y_2 5.58 _LACS_plot.Y_axis_chem_shift_offset -0.15 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 74 ILE 2.60 -1.70 0 10 MET 0.21 0.23 1 11 SER 0.05 0.26 1 12 ASP 0.80 0.61 1 13 TYR -0.30 -0.21 1 14 ASP -0.27 -0.03 1 15 ILE 0.08 0.12 1 17 THR 0.46 0.34 1 18 THR 0.38 0.25 1 19 GLU -0.25 0.12 1 20 ILE 0.40 0.33 1 21 SER 0.41 0.51 1 23 ARG 0.66 0.46 1 24 GLU 1.01 0.91 1 25 ASN 0.58 0.47 1 26 LEU 0.75 0.56 1 27 TYR 0.39 0.21 1 28 PHE 0.15 0.11 1 29 GLN -0.46 0.07 1 32 SER 0.02 0.20 1 33 GLU -0.12 0.17 1 34 PHE -0.18 -0.15 1 36 ALA -0.30 0.04 1 37 GLU -0.76 -0.23 1 38 THR -0.20 -0.22 1 40 SER -0.27 -0.18 1 44 ILE -1.71 0.12 1 45 PHE -4.59 -1.95 1 46 ILE -3.16 -0.57 1 47 TYR -4.55 -1.70 1 48 ASN 3.14 1.10 1 49 LEU -2.39 -0.51 1 51 GLN 2.97 2.61 1 52 ASP -0.37 -0.97 1 53 ALA -0.21 1.12 1 54 ASP -5.00 -2.03 1 55 GLU 6.79 5.34 1 69 THR 0.01 -0.15 1 70 ASN -2.30 0.78 1 71 VAL -3.91 -1.43 1 72 LYS -4.23 -0.86 1 73 VAL -1.36 -0.66 1 75 ARG -4.14 -1.50 1 76 ASP -2.49 -0.35 1 77 PHE 2.92 2.53 1 78 ASN 1.90 2.32 1 79 THR -1.37 -0.12 1 80 ASN 1.93 1.70 1 81 LYS -2.12 -1.56 1 83 LYS 0.64 0.97 1 85 PHE -6.05 -3.19 1 87 PHE -5.66 -1.54 1 88 VAL -5.14 -2.10 1 89 THR -0.61 -0.62 1 91 THR 4.16 4.32 1 92 ASN -1.52 -0.30 1 93 TYR 5.14 4.73 1 94 GLU 4.31 3.29 1 95 GLU 2.96 2.32 1 96 ALA 2.83 1.98 1 97 ALA 4.29 2.41 1 98 MET 3.15 2.47 1 99 ALA 3.36 2.24 1 100 ILE 4.95 4.76 1 101 ALA 2.92 2.03 1 102 SER 1.86 2.61 1 103 LEU -0.59 0.13 1 104 ASN 4.12 3.53 1 106 TYR -0.28 1.01 1 107 ARG -0.03 -0.83 1 108 LEU -3.23 -1.99 1 110 ASP -0.05 -0.29 1 111 LYS -3.93 -1.80 1 112 ILE 0.03 -1.36 1 113 LEU 0.19 0.61 1 114 GLN -2.44 -1.32 1 115 VAL -4.25 -1.51 1 116 ASP -4.59 -1.43 1 117 PHE 1.62 2.33 1 123 HIS -0.69 1.35 1 124 LYS 0.88 1.53 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19500_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.05 _LACS_plot.Line_1_terminator_val_y_1 3.71 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.00 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.52 _LACS_plot.Line_2_terminator_val_x_2 6.78 _LACS_plot.Line_2_terminator_val_y_2 -1.20 _LACS_plot.Y_axis_chem_shift_offset -0.15 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 74 ILE 2.60 -4.30 0 10 MET 0.21 0.02 1 11 SER 0.05 0.21 1 12 ASP 0.80 -0.19 1 13 TYR -0.30 0.09 1 14 ASP -0.27 0.24 1 15 ILE 0.08 0.04 1 17 THR 0.46 -0.12 1 18 THR 0.38 -0.13 1 19 GLU -0.25 0.37 1 20 ILE 0.40 -0.07 1 21 SER 0.41 0.10 1 23 ARG 0.66 -0.20 1 24 GLU 1.01 -0.10 1 25 ASN 0.58 -0.11 1 26 LEU 0.75 -0.19 1 27 TYR 0.39 -0.18 1 28 PHE 0.15 -0.04 1 29 GLN -0.46 0.53 1 32 SER 0.02 0.18 1 33 GLU -0.12 0.29 1 34 PHE -0.18 0.03 1 36 ALA -0.30 0.34 1 37 GLU -0.76 0.53 1 38 THR -0.20 -0.02 1 40 SER -0.27 0.09 1 44 ILE -1.71 1.83 1 45 PHE -4.59 2.64 1 46 ILE -3.16 2.59 1 47 TYR -4.55 2.85 1 48 ASN 3.14 -2.04 1 49 LEU -2.39 1.88 1 51 GLN 2.97 -0.36 1 52 ASP -0.37 -0.60 1 53 ALA -0.21 1.33 1 54 ASP -5.00 2.97 1 55 GLU 6.79 -1.45 1 69 THR 0.01 -0.16 1 70 ASN -2.30 3.08 1 71 VAL -3.91 2.48 1 72 LYS -4.23 3.37 1 73 VAL -1.36 0.70 1 75 ARG -4.14 2.64 1 76 ASP -2.49 2.14 1 77 PHE 2.92 -0.39 1 78 ASN 1.90 0.42 1 79 THR -1.37 1.25 1 80 ASN 1.93 -0.23 1 81 LYS -2.12 0.56 1 83 LYS 0.64 0.33 1 85 PHE -6.05 2.86 1 87 PHE -5.66 4.12 1 88 VAL -5.14 3.04 1 89 THR -0.61 -0.01 1 91 THR 4.16 0.16 1 92 ASN -1.52 1.22 1 93 TYR 5.14 -0.41 1 94 GLU 4.31 -1.02 1 95 GLU 2.96 -0.64 1 96 ALA 2.83 -0.85 1 97 ALA 4.29 -1.88 1 98 MET 3.15 -0.68 1 99 ALA 3.36 -1.12 1 100 ILE 4.95 -0.19 1 101 ALA 2.92 -0.89 1 102 SER 1.86 0.75 1 103 LEU -0.59 0.72 1 104 ASN 4.12 -0.59 1 106 TYR -0.28 1.29 1 107 ARG -0.03 -0.80 1 108 LEU -3.23 1.24 1 110 ASP -0.05 -0.24 1 111 LYS -3.93 2.13 1 112 ILE 0.03 -1.39 1 113 LEU 0.19 0.42 1 114 GLN -2.44 1.12 1 115 VAL -4.25 2.74 1 116 ASP -4.59 3.16 1 117 PHE 1.62 0.71 1 123 HIS -0.69 2.04 1 124 LYS 0.88 0.65 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19500_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.05 _LACS_plot.Line_1_terminator_val_y_1 0.50 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.21 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.14 _LACS_plot.Line_2_terminator_val_x_2 6.78 _LACS_plot.Line_2_terminator_val_y_2 -0.64 _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 99 ALA 3.36 -2.27 0 10 MET 0.21 0.00 1 11 SER 0.05 -0.07 1 12 ASP 0.80 -0.12 1 13 TYR -0.30 -0.05 1 14 ASP -0.27 -0.05 1 15 ILE 0.08 -0.10 1 17 THR 0.46 -0.01 1 18 THR 0.38 -0.03 1 19 GLU -0.25 -0.04 1 20 ILE 0.40 -0.02 1 21 SER 0.41 -0.04 1 23 ARG 0.66 -0.08 1 24 GLU 1.01 -0.20 1 25 ASN 0.58 -0.14 1 26 LEU 0.75 -0.18 1 27 TYR 0.39 -0.14 1 28 PHE 0.15 -0.13 1 29 GLN -0.46 -0.02 1 32 SER 0.02 -0.08 1 33 GLU -0.12 -0.19 1 34 PHE -0.18 -0.12 1 36 ALA -0.30 -0.07 1 37 GLU -0.76 -0.17 1 38 THR -0.20 -0.06 1 40 SER -0.27 -0.12 1 44 ILE -1.71 0.18 1 45 PHE -4.59 0.57 1 46 ILE -3.16 0.77 1 47 TYR -4.55 0.54 1 48 ASN 3.14 -0.46 1 49 LEU -2.39 -0.43 1 51 GLN 2.97 0.00 1 52 ASP -0.37 0.16 1 53 ALA -0.21 -0.26 1 54 ASP -5.00 -0.05 1 55 GLU 6.79 -0.81 1 69 THR 0.01 0.28 1 70 ASN -2.30 0.11 1 71 VAL -3.91 0.29 1 72 LYS -4.23 0.37 1 73 VAL -1.36 0.01 1 74 ILE 2.60 -0.01 1 75 ARG -4.14 0.52 1 76 ASP -2.49 -0.09 1 77 PHE 2.92 -0.27 1 78 ASN 1.90 -0.16 1 79 THR -1.37 0.04 1 80 ASN 1.93 -0.27 1 81 LYS -2.12 0.26 1 83 LYS 0.64 -0.04 1 85 PHE -6.05 1.00 1 87 PHE -5.66 1.16 1 88 VAL -5.14 0.36 1 89 THR -0.61 0.93 1 91 THR 4.16 -0.20 1 92 ASN -1.52 0.58 1 93 TYR 5.14 -1.67 1 94 GLU 4.31 -0.58 1 95 GLU 2.96 -0.21 1 96 ALA 2.83 0.06 1 97 ALA 4.29 -0.65 1 98 MET 3.15 -0.30 1 100 ILE 4.95 -1.11 1 101 ALA 2.92 -0.29 1 102 SER 1.86 -0.11 1 103 LEU -0.59 -0.04 1 104 ASN 4.12 -0.41 1 106 TYR -0.28 -0.46 1 107 ARG -0.03 0.37 1 108 LEU -3.23 0.31 1 110 ASP -0.05 -0.07 1 111 LYS -3.93 0.19 1 112 ILE 0.03 0.16 1 113 LEU 0.19 0.17 1 114 GLN -2.44 0.66 1 115 VAL -4.25 0.93 1 116 ASP -4.59 0.04 1 117 PHE 1.62 0.21 1 123 HIS -0.69 -0.16 1 124 LYS 0.88 -0.23 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19500_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.05 _LACS_plot.Line_1_terminator_val_y_1 -2.36 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.42 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.94 _LACS_plot.Line_2_terminator_val_x_2 6.78 _LACS_plot.Line_2_terminator_val_y_2 1.93 _LACS_plot.Y_axis_chem_shift_offset 0.28 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 124 LYS 0.88 4.50 0 10 MET 0.21 0.12 1 11 SER 0.05 -0.28 1 12 ASP 0.80 -0.45 1 13 TYR -0.30 -0.65 1 14 ASP -0.27 -0.90 1 15 ILE 0.08 -0.44 1 17 THR 0.46 0.26 1 18 THR 0.38 -0.05 1 19 GLU -0.25 -0.07 1 20 ILE 0.40 0.01 1 21 SER 0.41 0.70 1 23 ARG 0.66 0.24 1 24 GLU 1.01 -0.15 1 25 ASN 0.58 0.02 1 26 LEU 0.75 -0.48 1 27 TYR 0.39 -0.29 1 28 PHE 0.15 -0.34 1 29 GLN -0.46 -0.25 1 32 SER 0.02 -0.27 1 33 GLU -0.12 -0.97 1 34 PHE -0.18 -0.68 1 36 ALA -0.30 -0.26 1 37 GLU -0.76 -0.44 1 38 THR -0.20 -0.25 1 40 SER -0.27 -0.55 1 44 ILE -1.71 -1.89 1 45 PHE -4.59 -2.31 1 46 ILE -3.16 -3.01 1 47 TYR -4.55 -1.38 1 48 ASN 3.14 -0.70 1 49 LEU -2.39 0.55 1 51 GLN 2.97 0.52 1 52 ASP -0.37 -0.31 1 53 ALA -0.21 -2.70 1 54 ASP -5.00 -1.56 1 55 GLU 6.79 1.37 1 69 THR 0.01 0.65 1 70 ASN -2.30 -2.95 1 71 VAL -3.91 -2.29 1 72 LYS -4.23 -2.03 1 73 VAL -1.36 -1.77 1 74 ILE 2.60 -0.69 1 75 ARG -4.14 -0.61 1 76 ASP -2.49 1.09 1 77 PHE 2.92 0.59 1 78 ASN 1.90 1.62 1 79 THR -1.37 0.92 1 80 ASN 1.93 -0.87 1 81 LYS -2.12 -0.20 1 83 LYS 0.64 -0.79 1 85 PHE -6.05 -2.73 1 87 PHE -5.66 -1.58 1 88 VAL -5.14 -1.96 1 89 THR -0.61 -0.88 1 91 THR 4.16 -0.37 1 92 ASN -1.52 -0.38 1 93 TYR 5.14 -0.07 1 94 GLU 4.31 3.33 1 95 GLU 2.96 1.14 1 96 ALA 2.83 1.20 1 97 ALA 4.29 3.23 1 98 MET 3.15 1.98 1 99 ALA 3.36 1.27 1 100 ILE 4.95 1.04 1 101 ALA 2.92 2.49 1 102 SER 1.86 0.78 1 103 LEU -0.59 -0.28 1 104 ASN 4.12 1.56 1 106 TYR -0.28 -1.80 1 107 ARG -0.03 -2.78 1 108 LEU -3.23 -1.01 1 110 ASP -0.05 -0.79 1 111 LYS -3.93 -1.87 1 112 ILE 0.03 0.56 1 113 LEU 0.19 -0.13 1 114 GLN -2.44 -1.58 1 115 VAL -4.25 -2.85 1 116 ASP -4.59 -1.25 1 117 PHE 1.62 1.24 1 123 HIS -0.69 0.12 1 stop_ save_