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 bmr16945_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -5.40 _LACS_plot.Line_1_terminator_val_y_1 -1.63 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.40 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.40 _LACS_plot.Line_2_terminator_val_x_2 8.02 _LACS_plot.Line_2_terminator_val_y_2 6.16 _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 57 PHE -5.40 -1.43 0 10 ASP 4.38 2.91 1 11 ILE 5.45 5.24 1 12 ALA 4.00 2.83 1 13 ALA 3.79 2.63 1 14 ALA 3.78 2.59 1 15 LEU 3.04 2.35 1 16 ARG 4.09 3.35 1 17 ASP 0.58 2.72 1 19 GLN 3.93 3.75 1 20 ALA -0.02 -0.33 1 22 ASP 7.33 4.66 1 23 SER -0.45 0.86 1 24 PHE 1.03 1.63 1 25 SER -3.78 -3.15 1 27 LYS 5.04 3.57 1 28 LYS 4.06 3.00 1 29 PHE 4.21 4.44 1 30 PHE 3.43 0.95 1 31 GLN 3.69 2.95 1 32 ILE 4.22 4.18 1 33 SER 2.90 2.60 1 35 MET 3.10 4.95 1 36 SER 2.99 2.63 1 37 LYS -0.81 -0.93 1 38 LYS -0.84 -2.52 1 39 SER -3.13 -1.18 1 40 SER 5.55 4.05 1 41 SER 5.48 3.78 1 42 GLN 3.30 3.38 1 43 LEU 3.65 2.94 1 44 LYS 4.64 3.49 1 45 GLU 3.75 2.80 1 46 ILE 5.75 4.82 1 47 PHE 6.29 5.25 1 48 ARG 3.90 3.31 1 49 ILE 3.56 2.94 1 50 LEU 2.22 1.41 1 51 ASP 0.82 -1.74 1 52 ASN 3.09 3.12 1 53 ASP 0.53 -1.40 1 54 GLN 4.29 1.16 1 55 SER 0.00 0.84 1 58 ILE -1.11 -0.34 1 59 GLU -2.22 -1.04 1 60 GLU 4.80 4.36 1 61 ASP 3.22 2.86 1 62 GLU -0.16 0.46 1 63 LEU 2.57 2.00 1 64 LYS 4.23 2.18 1 65 TYR 1.29 0.17 1 66 PHE 2.82 5.13 1 67 LEU 3.84 2.52 1 68 GLN 3.12 0.88 1 69 ARG 2.74 0.04 1 70 PHE 2.40 2.08 1 71 GLU -3.11 0.07 1 72 SER 4.33 3.35 1 74 ALA -2.49 -0.59 1 75 ARG -0.92 -1.13 1 76 VAL -0.45 -0.45 1 77 LEU -0.23 -0.07 1 78 THR -2.49 -1.14 1 79 ALA 3.99 2.84 1 80 SER 4.38 3.07 1 81 GLU 1.15 2.68 1 82 THR 8.02 5.72 1 83 LYS 4.24 3.44 1 84 THR 5.63 4.48 1 85 PHE 1.87 1.28 1 86 LEU 3.79 3.40 1 87 ALA 2.65 1.83 1 88 ALA 1.47 1.08 1 89 ALA -3.16 0.05 1 90 ASP 0.57 -0.23 1 91 HIS 0.79 1.30 1 92 ASP 0.90 0.54 1 94 ASP -0.25 -0.61 1 96 LYS -4.25 -1.71 1 97 ILE -2.18 -0.32 1 99 ALA 3.69 3.19 1 100 GLU 4.59 3.20 1 101 GLU 3.03 2.95 1 102 PHE 3.89 4.22 1 103 GLN 4.29 4.11 1 104 GLU 2.80 2.38 1 105 MET 3.96 3.01 1 106 VAL 4.33 2.75 1 107 GLN 1.23 1.03 1 108 SER 1.50 2.65 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16945_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -5.40 _LACS_plot.Line_1_terminator_val_y_1 3.77 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.60 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.60 _LACS_plot.Line_2_terminator_val_x_2 8.02 _LACS_plot.Line_2_terminator_val_y_2 -1.86 _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 57 PHE -5.40 3.97 0 10 ASP 4.38 -1.47 1 11 ILE 5.45 -0.21 1 12 ALA 4.00 -1.17 1 13 ALA 3.79 -1.16 1 14 ALA 3.78 -1.19 1 15 LEU 3.04 -0.69 1 16 ARG 4.09 -0.74 1 17 ASP 0.58 2.14 1 19 GLN 3.93 -0.18 1 20 ALA -0.02 -0.31 1 22 ASP 7.33 -2.67 1 23 SER -0.45 1.31 1 24 PHE 1.03 0.60 1 25 SER -3.78 0.63 1 27 LYS 5.04 -1.47 1 28 LYS 4.06 -1.06 1 29 PHE 4.21 0.23 1 30 PHE 3.43 -2.48 1 31 GLN 3.69 -0.74 1 32 ILE 4.22 -0.04 1 33 SER 2.90 -0.30 1 35 MET 3.10 1.85 1 36 SER 2.99 -0.36 1 37 LYS -0.81 -0.12 1 38 LYS -0.84 -1.68 1 39 SER -3.13 1.95 1 40 SER 5.55 -1.50 1 41 SER 5.48 -1.70 1 42 GLN 3.30 0.08 1 43 LEU 3.65 -0.71 1 44 LYS 4.64 -1.15 1 45 GLU 3.75 -0.95 1 46 ILE 5.75 -0.93 1 47 PHE 6.29 -1.04 1 48 ARG 3.90 -0.59 1 49 ILE 3.56 -0.62 1 50 LEU 2.22 -0.81 1 51 ASP 0.82 -2.56 1 52 ASN 3.09 0.03 1 53 ASP 0.53 -1.93 1 54 GLN 4.29 -3.13 1 55 SER 0.00 0.84 1 58 ILE -1.11 0.77 1 59 GLU -2.22 1.18 1 60 GLU 4.80 -0.44 1 61 ASP 3.22 -0.36 1 62 GLU -0.16 0.62 1 63 LEU 2.57 -0.57 1 64 LYS 4.23 -2.05 1 65 TYR 1.29 -1.12 1 66 PHE 2.82 2.31 1 67 LEU 3.84 -1.32 1 68 GLN 3.12 -2.24 1 69 ARG 2.74 -2.70 1 70 PHE 2.40 -0.32 1 71 GLU -3.11 3.18 1 72 SER 4.33 -0.98 1 74 ALA -2.49 1.90 1 75 ARG -0.92 -0.21 1 76 VAL -0.45 0.00 1 77 LEU -0.23 0.16 1 78 THR -2.49 1.35 1 79 ALA 3.99 -1.15 1 80 SER 4.38 -1.31 1 81 GLU 1.15 1.53 1 82 THR 8.02 -2.30 1 83 LYS 4.24 -0.80 1 84 THR 5.63 -1.15 1 85 PHE 1.87 -0.59 1 86 LEU 3.79 -0.39 1 87 ALA 2.65 -0.82 1 88 ALA 1.47 -0.39 1 89 ALA -3.16 3.21 1 90 ASP 0.57 -0.80 1 91 HIS 0.79 0.51 1 92 ASP 0.90 -0.36 1 94 ASP -0.25 -0.36 1 96 LYS -4.25 2.54 1 97 ILE -2.18 1.86 1 99 ALA 3.69 -0.50 1 100 GLU 4.59 -1.39 1 101 GLU 3.03 -0.08 1 102 PHE 3.89 0.33 1 103 GLN 4.29 -0.18 1 104 GLU 2.80 -0.42 1 105 MET 3.96 -0.95 1 106 VAL 4.33 -1.58 1 107 GLN 1.23 -0.20 1 108 SER 1.50 1.15 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16945_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -5.40 _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 -0.26 _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 8.02 _LACS_plot.Line_2_terminator_val_y_2 -0.77 _LACS_plot.Y_axis_chem_shift_offset 0.07 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 99 ALA 3.69 -1.91 0 10 ASP 4.38 -0.17 1 11 ILE 5.45 -1.03 1 12 ALA 4.00 -0.31 1 13 ALA 3.79 -0.36 1 14 ALA 3.78 -0.64 1 15 LEU 3.04 -0.11 1 16 ARG 4.09 -0.27 1 17 ASP 0.58 -0.22 1 19 GLN 3.93 -0.21 1 20 ALA -0.02 0.01 1 22 ASP 7.33 -0.20 1 23 SER -0.45 0.03 1 24 PHE 1.03 -0.23 1 25 SER -3.78 -0.29 1 27 LYS 5.04 -0.55 1 28 LYS 4.06 -0.56 1 29 PHE 4.21 -0.69 1 30 PHE 3.43 -0.03 1 31 GLN 3.69 -0.10 1 32 ILE 4.22 -0.66 1 33 SER 2.90 -0.97 1 35 MET 3.10 -0.81 1 36 SER 2.99 -0.47 1 37 LYS -0.81 0.24 1 38 LYS -0.84 0.18 1 39 SER -3.13 -0.02 1 40 SER 5.55 -0.55 1 41 SER 5.48 -0.60 1 42 GLN 3.30 -0.13 1 43 LEU 3.65 -0.16 1 44 LYS 4.64 -0.20 1 45 GLU 3.75 -0.23 1 46 ILE 5.75 -0.65 1 47 PHE 6.29 -1.49 1 48 ARG 3.90 -0.45 1 49 ILE 3.56 -0.64 1 50 LEU 2.22 -0.61 1 51 ASP 0.82 -0.33 1 52 ASN 3.09 -0.57 1 53 ASP 0.53 -0.15 1 54 GLN 4.29 -0.49 1 55 SER 0.00 -0.23 1 57 PHE -5.40 0.79 1 58 ILE -1.11 0.14 1 59 GLU -2.22 0.26 1 60 GLU 4.80 -0.74 1 61 ASP 3.22 -0.34 1 62 GLU -0.16 0.11 1 63 LEU 2.57 -0.50 1 64 LYS 4.23 -0.40 1 65 TYR 1.29 -0.01 1 66 PHE 2.82 -0.56 1 67 LEU 3.84 -0.51 1 68 GLN 3.12 0.29 1 69 ARG 2.74 -0.45 1 70 PHE 2.40 -0.57 1 71 GLU -3.11 -0.09 1 72 SER 4.33 -0.23 1 74 ALA -2.49 -0.03 1 75 ARG -0.92 0.14 1 76 VAL -0.45 -0.14 1 77 LEU -0.23 0.13 1 78 THR -2.49 -0.06 1 79 ALA 3.99 -0.11 1 80 SER 4.38 -0.24 1 81 GLU 1.15 -0.23 1 82 THR 8.02 -0.62 1 83 LYS 4.24 -0.32 1 84 THR 5.63 -0.40 1 85 PHE 1.87 -0.35 1 86 LEU 3.79 -0.51 1 87 ALA 2.65 -0.14 1 88 ALA 1.47 -0.06 1 89 ALA -3.16 0.18 1 90 ASP 0.57 -0.02 1 91 HIS 0.79 -0.07 1 92 ASP 0.90 -0.03 1 94 ASP -0.25 -0.10 1 96 LYS -4.25 0.44 1 97 ILE -2.18 0.38 1 100 GLU 4.59 -0.41 1 101 GLU 3.03 -0.33 1 102 PHE 3.89 -0.62 1 103 GLN 4.29 -0.92 1 104 GLU 2.80 -0.44 1 105 MET 3.96 -0.31 1 106 VAL 4.33 -1.15 1 107 GLN 1.23 -0.09 1 108 SER 1.50 -0.27 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16945_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -5.40 _LACS_plot.Line_1_terminator_val_y_1 -1.43 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.04 _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 8.02 _LACS_plot.Line_2_terminator_val_y_2 2.72 _LACS_plot.Y_axis_chem_shift_offset -0.39 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 50 LEU 2.22 -2.80 0 57 PHE -5.40 -2.10 0 22 ASP 7.33 -1.05 0 10 ASP 4.38 2.07 1 11 ILE 5.45 0.78 1 12 ALA 4.00 3.00 1 13 ALA 3.79 2.38 1 14 ALA 3.78 2.34 1 15 LEU 3.04 2.65 1 16 ARG 4.09 3.05 1 17 ASP 0.58 -0.30 1 19 GLN 3.93 0.65 1 20 ALA -0.02 0.30 1 23 SER -0.45 0.92 1 24 PHE 1.03 -1.42 1 25 SER -3.78 -0.75 1 27 LYS 5.04 2.64 1 28 LYS 4.06 1.37 1 29 PHE 4.21 4.80 1 30 PHE 3.43 1.50 1 31 GLN 3.69 3.60 1 32 ILE 4.22 1.30 1 33 SER 2.90 -0.80 1 35 MET 3.10 0.77 1 36 SER 2.99 0.10 1 37 LYS -0.81 0.30 1 38 LYS -0.84 -1.00 1 39 SER -3.13 0.46 1 40 SER 5.55 2.30 1 41 SER 5.48 3.00 1 42 GLN 3.30 2.83 1 43 LEU 3.65 1.70 1 44 LYS 4.64 2.33 1 45 GLU 3.75 2.56 1 46 ILE 5.75 0.70 1 47 PHE 6.29 -0.10 1 48 ARG 3.90 2.10 1 49 ILE 3.56 1.10 1 51 ASP 0.82 0.50 1 52 ASN 3.09 0.60 1 53 ASP 0.53 -0.60 1 54 GLN 4.29 -0.10 1 55 SER 0.00 1.70 1 58 ILE -1.11 -0.40 1 59 GLU -2.22 0.80 1 60 GLU 4.80 1.50 1 61 ASP 3.22 0.90 1 62 GLU -0.16 3.00 1 63 LEU 2.57 0.20 1 64 LYS 4.23 0.70 1 65 TYR 1.29 -1.00 1 66 PHE 2.82 0.60 1 67 LEU 3.84 2.80 1 68 GLN 3.12 2.10 1 69 ARG 2.74 0.10 1 70 PHE 2.40 0.30 1 71 GLU -3.11 -0.90 1 72 SER 4.33 0.70 1 74 ALA -2.49 -1.90 1 75 ARG -0.92 -1.10 1 76 VAL -0.45 0.80 1 77 LEU -0.23 0.40 1 78 THR -2.49 1.20 1 79 ALA 3.99 2.90 1 80 SER 4.38 2.90 1 81 GLU 1.15 3.20 1 82 THR 8.02 1.60 1 83 LYS 4.24 3.10 1 84 THR 5.63 1.80 1 85 PHE 1.87 1.70 1 86 LEU 3.79 0.80 1 87 ALA 2.65 1.60 1 88 ALA 1.47 0.00 1 89 ALA -3.16 -0.70 1 90 ASP 0.57 0.20 1 91 HIS 0.79 1.50 1 92 ASP 0.90 0.90 1 94 ASP -0.25 1.10 1 96 LYS -4.25 -2.10 1 97 ILE -2.18 -0.20 1 99 ALA 3.69 2.70 1 100 GLU 4.59 2.50 1 101 GLU 3.03 3.20 1 102 PHE 3.89 -0.30 1 103 GLN 4.29 1.10 1 104 GLU 2.80 2.30 1 105 MET 3.96 1.60 1 106 VAL 4.33 0.80 1 107 GLN 1.23 -0.20 1 108 SER 1.50 4.50 1 stop_ save_