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 bmr25702_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.23 _LACS_plot.Line_1_terminator_val_y_1 -3.10 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.71 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.41 _LACS_plot.Line_2_terminator_val_x_2 9.21 _LACS_plot.Line_2_terminator_val_y_2 6.42 _LACS_plot.Y_axis_chem_shift_offset -0.01 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 53 TYR -9.23 -2.19 0 10 GLU 0.98 2.08 1 11 PHE 4.87 3.01 1 12 ASP 3.82 3.02 1 13 SER 3.22 2.56 1 14 ALA 2.61 2.34 1 15 ILE 3.39 2.39 1 16 ALA -0.02 -0.75 1 17 GLN -4.36 0.20 1 18 ASP 1.36 -0.69 1 19 LYS -2.60 -1.48 1 20 LEU 1.53 0.69 1 21 VAL -2.30 -0.62 1 22 VAL -0.48 -0.56 1 23 VAL -1.94 -0.42 1 24 ALA -1.83 -1.39 1 25 PHE -0.25 -0.08 1 26 TYR -7.20 -3.07 1 27 ALA -5.20 -2.35 1 28 THR 3.62 3.02 1 29 TRP -3.73 -3.99 1 34 LYS 3.83 2.92 1 35 MET 2.39 1.53 1 36 ILE -1.04 -0.96 1 37 ALA 9.21 6.57 1 39 MET 3.18 2.52 1 40 ILE 5.60 2.57 1 41 GLU 4.24 2.81 1 42 LYS 5.09 2.83 1 43 PHE 4.50 2.32 1 44 SER 3.76 1.87 1 45 GLU 0.96 0.70 1 46 GLN 1.04 1.33 1 47 TYR 0.51 0.28 1 49 GLN 2.38 0.76 1 50 ALA -5.52 -2.45 1 51 ASP -4.37 -1.20 1 52 PHE -3.26 -0.99 1 54 LYS -5.57 -2.71 1 55 LEU -3.12 0.29 1 56 ASP -1.61 -1.96 1 57 VAL 4.40 2.50 1 58 ASP 2.59 1.96 1 59 GLU -1.03 0.77 1 60 LEU -1.96 -2.74 1 62 ASP 4.32 2.48 1 63 VAL 4.80 3.19 1 64 ALA 4.66 3.38 1 65 GLN 4.41 3.31 1 66 LYS 3.54 2.62 1 67 ASN -0.23 0.98 1 68 GLU 3.34 0.41 1 69 VAL 2.66 0.67 1 70 SER -1.48 -0.57 1 71 ALA -3.27 -1.01 1 72 MET -4.58 -1.39 1 74 THR -1.68 1.76 1 75 LEU -3.53 -1.78 1 76 LEU -5.28 -1.61 1 77 LEU -0.66 -0.37 1 78 PHE -6.04 -1.32 1 79 LYS -1.95 1.22 1 80 ASN 2.60 1.37 1 82 LYS -4.08 -1.85 1 83 GLU -0.25 0.36 1 84 VAL -1.31 -1.12 1 85 ALA -2.73 0.16 1 86 LYS -3.36 -0.86 1 87 VAL -2.11 -0.82 1 88 VAL 0.04 -0.22 1 90 ALA -0.84 -2.06 1 91 ASN -1.57 -1.29 1 93 ALA 3.79 2.67 1 94 ALA 2.06 1.76 1 95 ILE 5.27 4.85 1 96 LYS 5.37 4.43 1 97 GLN 3.94 2.88 1 98 ALA 3.44 2.25 1 99 ILE 5.03 4.36 1 100 ALA 3.55 2.74 1 101 ALA 1.44 1.38 1 102 ASN -2.79 1.20 1 103 ALA 3.12 2.89 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25702_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.23 _LACS_plot.Line_1_terminator_val_y_1 6.13 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.29 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.59 _LACS_plot.Line_2_terminator_val_x_2 9.21 _LACS_plot.Line_2_terminator_val_y_2 -2.79 _LACS_plot.Y_axis_chem_shift_offset -0.01 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 53 TYR -9.23 7.04 0 10 GLU 0.98 1.10 1 11 PHE 4.87 -1.86 1 12 ASP 3.82 -0.80 1 13 SER 3.22 -0.66 1 14 ALA 2.61 -0.27 1 15 ILE 3.39 -1.00 1 16 ALA -0.02 -0.73 1 17 GLN -4.36 4.56 1 18 ASP 1.36 -2.05 1 19 LYS -2.60 1.12 1 20 LEU 1.53 -0.84 1 21 VAL -2.30 1.68 1 22 VAL -0.48 -0.08 1 23 VAL -1.94 1.52 1 24 ALA -1.83 0.44 1 25 PHE -0.25 0.17 1 26 TYR -7.20 4.13 1 27 ALA -5.20 2.85 1 28 THR 3.62 -0.60 1 29 TRP -3.73 -0.26 1 34 LYS 3.83 -0.91 1 35 MET 2.39 -0.86 1 36 ILE -1.04 0.08 1 37 ALA 9.21 -2.64 1 39 MET 3.18 -0.66 1 40 ILE 5.60 -3.03 1 41 GLU 4.24 -1.43 1 42 LYS 5.09 -2.26 1 43 PHE 4.50 -2.18 1 44 SER 3.76 -1.89 1 45 GLU 0.96 -0.26 1 46 GLN 1.04 0.29 1 47 TYR 0.51 -0.23 1 49 GLN 2.38 -1.62 1 50 ALA -5.52 3.07 1 51 ASP -4.37 3.17 1 52 PHE -3.26 2.27 1 54 LYS -5.57 2.86 1 55 LEU -3.12 3.41 1 56 ASP -1.61 -0.35 1 57 VAL 4.40 -1.90 1 58 ASP 2.59 -0.63 1 59 GLU -1.03 1.80 1 60 LEU -1.96 -0.78 1 62 ASP 4.32 -1.84 1 63 VAL 4.80 -1.61 1 64 ALA 4.66 -1.28 1 65 GLN 4.41 -1.10 1 66 LYS 3.54 -0.92 1 67 ASN -0.23 1.21 1 68 GLU 3.34 -2.93 1 69 VAL 2.66 -1.99 1 70 SER -1.48 0.91 1 71 ALA -3.27 2.26 1 72 MET -4.58 3.19 1 74 THR -1.68 3.44 1 75 LEU -3.53 1.75 1 76 LEU -5.28 3.67 1 77 LEU -0.66 0.29 1 78 PHE -6.04 4.72 1 79 LYS -1.95 3.17 1 80 ASN 2.60 -1.23 1 82 LYS -4.08 2.23 1 83 GLU -0.25 0.61 1 84 VAL -1.31 0.19 1 85 ALA -2.73 2.89 1 86 LYS -3.36 2.50 1 87 VAL -2.11 1.29 1 88 VAL 0.04 -0.26 1 90 ALA -0.84 -1.22 1 91 ASN -1.57 0.28 1 93 ALA 3.79 -1.12 1 94 ALA 2.06 -0.30 1 95 ILE 5.27 -0.42 1 96 LYS 5.37 -0.94 1 97 GLN 3.94 -1.06 1 98 ALA 3.44 -1.19 1 99 ILE 5.03 -0.67 1 100 ALA 3.55 -0.81 1 101 ALA 1.44 -0.06 1 102 ASN -2.79 3.99 1 103 ALA 3.12 -0.23 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25702_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -9.23 _LACS_plot.Line_1_terminator_val_y_1 1.10 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.28 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.21 _LACS_plot.Line_2_terminator_val_x_2 9.21 _LACS_plot.Line_2_terminator_val_y_2 -1.13 _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 37 ALA 9.21 -0.54 0 44 SER 3.76 -1.60 0 11 PHE 4.87 -1.77 0 10 GLU 0.98 -0.50 1 12 ASP 3.82 -0.81 1 13 SER 3.22 -0.44 1 14 ALA 2.61 -0.29 1 15 ILE 3.39 -0.45 1 16 ALA -0.02 -0.29 1 17 GLN -4.36 -0.12 1 18 ASP 1.36 -0.11 1 19 LYS -2.60 0.06 1 20 LEU 1.53 0.37 1 21 VAL -2.30 0.14 1 22 VAL -0.48 0.14 1 23 VAL -1.94 0.53 1 24 ALA -1.83 0.68 1 25 PHE -0.25 0.40 1 26 TYR -7.20 0.80 1 27 ALA -5.20 0.24 1 28 THR 3.62 -0.48 1 29 TRP -3.73 -0.14 1 34 LYS 3.83 -0.40 1 35 MET 2.39 -0.25 1 36 ILE -1.04 0.08 1 39 MET 3.18 -0.63 1 40 ILE 5.60 -0.50 1 41 GLU 4.24 -0.76 1 42 LYS 5.09 -0.40 1 43 PHE 4.50 -1.46 1 45 GLU 0.96 -0.29 1 46 GLN 1.04 -0.41 1 47 TYR 0.51 0.14 1 49 GLN 2.38 0.02 1 50 ALA -5.52 0.73 1 51 ASP -4.37 0.47 1 52 PHE -3.26 0.56 1 53 TYR -9.23 0.93 1 54 LYS -5.57 1.18 1 55 LEU -3.12 0.13 1 56 ASP -1.61 -0.48 1 57 VAL 4.40 -0.70 1 58 ASP 2.59 0.06 1 59 GLU -1.03 0.00 1 60 LEU -1.96 0.57 1 62 ASP 4.32 -0.32 1 63 VAL 4.80 -0.80 1 64 ALA 4.66 -0.53 1 65 GLN 4.41 -0.28 1 66 LYS 3.54 -0.27 1 67 ASN -0.23 0.04 1 68 GLU 3.34 -0.61 1 69 VAL 2.66 -0.22 1 70 SER -1.48 0.02 1 71 ALA -3.27 0.26 1 72 MET -4.58 0.14 1 74 THR -1.68 0.66 1 75 LEU -3.53 1.15 1 76 LEU -5.28 0.56 1 77 LEU -0.66 0.91 1 78 PHE -6.04 0.78 1 79 LYS -1.95 0.49 1 80 ASN 2.60 -0.44 1 82 LYS -4.08 0.40 1 83 GLU -0.25 -0.49 1 84 VAL -1.31 0.30 1 85 ALA -2.73 0.08 1 86 LYS -3.36 0.63 1 87 VAL -2.11 0.58 1 88 VAL 0.04 0.33 1 90 ALA -0.84 -0.12 1 91 ASN -1.57 0.06 1 93 ALA 3.79 -0.23 1 94 ALA 2.06 -0.26 1 95 ILE 5.27 -0.82 1 96 LYS 5.37 -1.30 1 97 GLN 3.94 -0.49 1 98 ALA 3.44 -0.39 1 99 ILE 5.03 -1.12 1 101 ALA 1.44 -0.25 1 102 ASN -2.79 0.04 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25702_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -9.23 _LACS_plot.Line_1_terminator_val_y_1 -4.30 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.38 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.44 _LACS_plot.Line_2_terminator_val_x_2 5.59 _LACS_plot.Line_2_terminator_val_y_2 2.02 _LACS_plot.Y_axis_chem_shift_offset 0.49 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 53 TYR -9.23 -1.39 0 10 GLU 0.98 2.18 1 11 PHE 4.87 -0.86 1 12 ASP 3.82 2.47 1 13 SER 3.22 1.74 1 14 ALA 2.61 2.56 1 15 ILE 3.39 -0.39 1 16 ALA -0.02 -0.73 1 18 ASP 1.36 -0.95 1 19 LYS -2.60 -3.31 1 20 LEU 1.53 -3.17 1 21 VAL -2.30 -1.68 1 22 VAL -0.48 -1.50 1 23 VAL -1.94 -2.21 1 24 ALA -1.83 -2.71 1 25 PHE -0.25 -1.01 1 26 TYR -7.20 -4.55 1 27 ALA -5.20 1.29 1 28 THR 3.62 0.26 1 29 TRP -3.73 -0.62 1 34 LYS 3.83 2.02 1 35 MET 2.39 1.63 1 36 ILE -1.04 0.28 1 39 MET 3.18 1.09 1 40 ILE 5.60 1.30 1 41 GLU 4.24 3.46 1 42 LYS 5.09 3.30 1 43 PHE 4.50 2.01 1 44 SER 3.76 0.92 1 45 GLU 0.96 1.20 1 46 GLN 1.04 -0.58 1 49 GLN 2.38 -1.01 1 50 ALA -5.52 -2.63 1 51 ASP -4.37 -1.59 1 52 PHE -3.26 -1.17 1 54 LYS -5.57 -3.40 1 55 LEU -3.12 -5.55 1 56 ASP -1.61 1.92 1 57 VAL 4.40 -0.63 1 58 ASP 2.59 1.24 1 59 GLU -1.03 0.51 1 60 LEU -1.96 -0.55 1 62 ASP 4.32 2.64 1 63 VAL 4.80 2.97 1 64 ALA 4.66 0.74 1 65 GLN 4.41 4.54 1 66 LYS 3.54 0.35 1 67 ASN -0.23 -3.59 1 68 GLU 3.34 -0.94 1 69 VAL 2.66 -0.89 1 70 SER -1.48 -1.98 1 71 ALA -3.27 -2.27 1 74 THR -1.68 -3.16 1 75 LEU -3.53 -2.77 1 76 LEU -5.28 -3.37 1 77 LEU -0.66 -2.64 1 78 PHE -6.04 -1.37 1 79 LYS -1.95 1.11 1 80 ASN 2.60 0.20 1 82 LYS -4.08 -1.70 1 83 GLU -0.25 0.65 1 84 VAL -1.31 -0.68 1 85 ALA -2.73 -3.99 1 86 LYS -3.36 -1.60 1 87 VAL -2.11 -1.78 1 88 VAL 0.04 -0.16 1 90 ALA -0.84 -2.90 1 93 ALA 3.79 2.41 1 94 ALA 2.06 3.12 1 95 ILE 5.27 -0.18 1 96 LYS 5.37 1.22 1 97 GLN 3.94 2.01 1 98 ALA 3.44 1.74 1 99 ILE 5.03 0.69 1 100 ALA 3.55 2.63 1 101 ALA 1.44 0.41 1 102 ASN -2.79 -2.46 1 stop_ save_