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 bmr18522_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.32 _LACS_plot.Line_1_terminator_val_y_1 -2.37 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.43 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.84 _LACS_plot.Line_2_terminator_val_x_2 6.21 _LACS_plot.Line_2_terminator_val_y_2 4.83 _LACS_plot.Y_axis_chem_shift_offset 0.23 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 49 ASP -0.49 2.89 0 10 LYS -3.07 -0.94 1 11 VAL -4.70 -2.33 1 12 THR 0.51 0.32 1 13 LEU -6.32 -2.48 1 14 GLN -1.24 -1.12 1 15 LYS -1.24 -0.24 1 16 ASP -2.05 -1.77 1 17 ALA 2.74 1.93 1 18 GLN 0.45 -0.36 1 19 ASN 2.49 1.20 1 20 LEU -3.51 -1.14 1 21 ILE 1.28 1.50 1 23 ILE -5.47 -2.69 1 24 SER -4.48 -2.18 1 25 ILE -4.82 -1.98 1 29 ALA -4.26 -1.43 1 31 TYR 0.56 -0.75 1 35 LEU -3.74 -1.82 1 36 TYR -4.99 -1.20 1 37 ILE 2.81 1.36 1 38 VAL 1.38 0.06 1 39 GLN -3.55 -0.57 1 40 VAL -0.61 -0.63 1 41 PHE 0.83 0.79 1 42 ASP 1.10 1.09 1 43 ASN 3.61 1.86 1 44 THR 0.18 -0.09 1 46 ALA 2.92 2.70 1 47 ALA 1.85 2.44 1 48 LEU 3.11 2.16 1 51 THR 6.21 4.68 1 52 VAL -1.67 -1.49 1 53 ALA -6.23 -2.06 1 54 ALA 1.78 0.52 1 56 ASP 1.84 1.44 1 57 GLU -5.03 -2.13 1 58 ILE -0.62 -0.18 1 59 THR -0.44 -0.64 1 61 VAL -4.52 -1.22 1 62 ASN 3.56 1.32 1 64 ARG -2.33 -1.75 1 65 SER 0.15 -0.01 1 66 ILE 0.06 -1.98 1 67 LYS 3.58 2.12 1 69 LYS -1.94 -1.48 1 70 THR -3.19 -1.36 1 71 LYS 5.91 4.16 1 72 VAL 4.69 3.88 1 73 GLU 2.26 2.72 1 74 VAL 6.07 4.48 1 75 ALA 3.96 3.35 1 76 LYS 4.23 3.19 1 77 MET 2.83 3.73 1 78 ILE 4.34 4.38 1 79 GLN 3.92 3.45 1 80 GLU 1.42 1.41 1 81 VAL 1.70 0.95 1 82 LYS 0.32 -0.45 1 84 GLU -2.29 -0.78 1 85 VAL -4.37 -2.09 1 86 THR 0.20 -0.07 1 87 ILE -2.57 -2.84 1 89 TYR -5.63 -2.23 1 90 ASN -4.04 -1.14 1 92 LEU -0.20 -0.04 1 93 GLN 0.28 -0.21 1 94 ALA -1.86 -0.78 1 95 ASP 3.07 3.44 1 97 LYS 3.42 1.97 1 98 GLN 2.64 1.96 1 99 LEU 2.88 1.95 1 100 GLU 2.63 2.46 1 101 VAL 3.34 2.59 1 102 LEU 2.51 2.14 1 103 PHE 1.38 -0.16 1 104 GLN 0.05 -0.18 1 112 HIS -2.95 -0.79 1 114 LEU -3.69 -0.95 1 115 LYS 0.74 1.05 1 116 VAL -2.65 -0.45 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18522_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.32 _LACS_plot.Line_1_terminator_val_y_1 3.95 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.57 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.16 _LACS_plot.Line_2_terminator_val_x_2 6.21 _LACS_plot.Line_2_terminator_val_y_2 -1.38 _LACS_plot.Y_axis_chem_shift_offset 0.23 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 49 ASP -0.49 3.38 0 10 LYS -3.07 2.13 1 11 VAL -4.70 2.37 1 12 THR 0.51 -0.19 1 13 LEU -6.32 3.84 1 14 GLN -1.24 0.12 1 15 LYS -1.24 1.00 1 16 ASP -2.05 0.28 1 17 ALA 2.74 -0.81 1 18 GLN 0.45 -0.81 1 19 ASN 2.49 -1.29 1 20 LEU -3.51 2.37 1 21 ILE 1.28 0.22 1 23 ILE -5.47 2.78 1 24 SER -4.48 2.30 1 25 ILE -4.82 2.84 1 29 ALA -4.26 2.83 1 31 TYR 0.56 -1.31 1 35 LEU -3.74 1.92 1 36 TYR -4.99 3.79 1 37 ILE 2.81 -1.45 1 38 VAL 1.38 -1.32 1 39 GLN -3.55 2.98 1 40 VAL -0.61 -0.02 1 41 PHE 0.83 -0.04 1 42 ASP 1.10 -0.01 1 43 ASN 3.61 -1.75 1 44 THR 0.18 -0.27 1 46 ALA 2.92 -0.22 1 47 ALA 1.85 0.59 1 48 LEU 3.11 -0.95 1 51 THR 6.21 -1.53 1 52 VAL -1.67 0.18 1 53 ALA -6.23 4.17 1 54 ALA 1.78 -1.26 1 56 ASP 1.84 -0.40 1 57 GLU -5.03 2.90 1 58 ILE -0.62 0.44 1 59 THR -0.44 -0.20 1 61 VAL -4.52 3.30 1 62 ASN 3.56 -2.24 1 64 ARG -2.33 0.58 1 65 SER 0.15 -0.16 1 66 ILE 0.06 -2.04 1 67 LYS 3.58 -1.46 1 69 LYS -1.94 0.46 1 70 THR -3.19 1.83 1 71 LYS 5.91 -1.75 1 72 VAL 4.69 -0.81 1 73 GLU 2.26 0.46 1 74 VAL 6.07 -1.59 1 75 ALA 3.96 -0.61 1 76 LYS 4.23 -1.04 1 77 MET 2.83 0.90 1 78 ILE 4.34 0.04 1 79 GLN 3.92 -0.47 1 80 GLU 1.42 -0.01 1 81 VAL 1.70 -0.75 1 82 LYS 0.32 -0.77 1 84 GLU -2.29 1.51 1 85 VAL -4.37 2.28 1 86 THR 0.20 -0.27 1 87 ILE -2.57 -0.27 1 89 TYR -5.63 3.40 1 90 ASN -4.04 2.90 1 92 LEU -0.20 0.16 1 93 GLN 0.28 -0.49 1 94 ALA -1.86 1.08 1 95 ASP 3.07 0.37 1 97 LYS 3.42 -1.45 1 98 GLN 2.64 -0.68 1 99 LEU 2.88 -0.93 1 100 GLU 2.63 -0.17 1 101 VAL 3.34 -0.75 1 102 LEU 2.51 -0.37 1 103 PHE 1.38 -1.54 1 104 GLN 0.05 -0.23 1 112 HIS -2.95 2.16 1 114 LEU -3.69 2.74 1 115 LYS 0.74 0.31 1 116 VAL -2.65 2.20 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18522_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.32 _LACS_plot.Line_1_terminator_val_y_1 0.56 _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 0.18 _LACS_plot.Line_2_terminator_val_x_2 6.21 _LACS_plot.Line_2_terminator_val_y_2 -0.61 _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 23 ILE -5.47 1.37 0 89 TYR -5.63 1.40 0 10 LYS -3.07 -0.28 1 11 VAL -4.70 0.59 1 12 THR 0.51 0.77 1 13 LEU -6.32 0.47 1 14 GLN -1.24 0.14 1 15 LYS -1.24 -0.14 1 16 ASP -2.05 -0.05 1 17 ALA 2.74 -0.13 1 18 GLN 0.45 0.06 1 19 ASN 2.49 -0.42 1 20 LEU -3.51 0.56 1 21 ILE 1.28 0.50 1 24 SER -4.48 -0.24 1 29 ALA -4.26 0.24 1 31 TYR 0.56 0.00 1 35 LEU -3.74 0.59 1 36 TYR -4.99 0.70 1 37 ILE 2.81 0.04 1 38 VAL 1.38 -0.18 1 39 GLN -3.55 -0.24 1 40 VAL -0.61 0.16 1 41 PHE 0.83 -0.22 1 42 ASP 1.10 -0.37 1 43 ASN 3.61 -0.48 1 44 THR 0.18 0.77 1 46 ALA 2.92 -0.28 1 47 ALA 1.85 -0.29 1 48 LEU 3.11 -0.31 1 49 ASP -0.49 -0.22 1 51 THR 6.21 -0.44 1 52 VAL -1.67 -0.17 1 53 ALA -6.23 0.09 1 54 ALA 1.78 -0.60 1 56 ASP 1.84 0.22 1 58 ILE -0.62 0.36 1 59 THR -0.44 0.16 1 62 ASN 3.56 -0.22 1 64 ARG -2.33 0.16 1 65 SER 0.15 0.01 1 66 ILE 0.06 0.25 1 67 LYS 3.58 -0.27 1 69 LYS -1.94 -0.28 1 70 THR -3.19 0.32 1 71 LYS 5.91 -0.45 1 72 VAL 4.69 -0.49 1 73 GLU 2.26 -0.39 1 74 VAL 6.07 -0.49 1 75 ALA 3.96 -0.37 1 76 LYS 4.23 -0.27 1 77 MET 2.83 -0.43 1 78 ILE 4.34 -0.58 1 79 GLN 3.92 -0.34 1 80 GLU 1.42 -0.29 1 81 VAL 1.70 -0.19 1 84 GLU -2.29 0.40 1 85 VAL -4.37 0.55 1 86 THR 0.20 -0.27 1 87 ILE -2.57 0.49 1 90 ASN -4.04 0.59 1 92 LEU -0.20 0.08 1 93 GLN 0.28 -0.02 1 94 ALA -1.86 0.05 1 95 ASP 3.07 -0.52 1 97 LYS 3.42 -0.18 1 98 GLN 2.64 -0.21 1 99 LEU 2.88 -0.46 1 100 GLU 2.63 -0.38 1 101 VAL 3.34 -0.36 1 102 LEU 2.51 -0.31 1 103 PHE 1.38 -0.40 1 104 GLN 0.05 0.07 1 112 HIS -2.95 -0.01 1 114 LEU -3.69 0.53 1 115 LYS 0.74 -0.12 1 116 VAL -2.65 0.32 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18522_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.32 _LACS_plot.Line_1_terminator_val_y_1 -1.91 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.64 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.50 _LACS_plot.Line_2_terminator_val_x_2 6.21 _LACS_plot.Line_2_terminator_val_y_2 1.74 _LACS_plot.Y_axis_chem_shift_offset -0.04 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 116 VAL -2.65 3.44 0 10 LYS -3.07 -2.14 1 11 VAL -4.70 -4.43 1 12 THR 0.51 -1.29 1 13 LEU -6.32 -2.57 1 14 GLN -1.24 -1.49 1 15 LYS -1.24 0.87 1 16 ASP -2.05 2.09 1 17 ALA 2.74 0.96 1 18 GLN 0.45 -0.83 1 19 ASN 2.49 -1.16 1 20 LEU -3.51 0.52 1 21 ILE 1.28 -0.21 1 23 ILE -5.47 -1.37 1 24 SER -4.48 0.14 1 25 ILE -4.82 -2.06 1 35 LEU -3.74 -2.52 1 36 TYR -4.99 -0.13 1 37 ILE 2.81 1.03 1 38 VAL 1.38 -1.89 1 39 GLN -3.55 -3.14 1 40 VAL -0.61 -0.10 1 41 PHE 0.83 -0.50 1 42 ASP 1.10 0.54 1 43 ASN 3.61 -1.49 1 46 ALA 2.92 2.85 1 47 ALA 1.85 2.05 1 48 LEU 3.11 1.64 1 49 ASP -0.49 1.37 1 51 THR 6.21 1.26 1 52 VAL -1.67 -2.42 1 53 ALA -6.23 -2.55 1 54 ALA 1.78 0.61 1 56 ASP 1.84 -1.36 1 57 GLU -5.03 0.60 1 58 ILE -0.62 -1.37 1 59 THR -0.44 1.73 1 61 VAL -4.52 -0.35 1 62 ASN 3.56 -0.32 1 64 ARG -2.33 -1.21 1 65 SER 0.15 2.35 1 66 ILE 0.06 -1.33 1 67 LYS 3.58 1.73 1 69 LYS -1.94 0.46 1 70 THR -3.19 1.26 1 71 LYS 5.91 0.86 1 72 VAL 4.69 2.01 1 73 GLU 2.26 3.37 1 74 VAL 6.07 0.92 1 75 ALA 3.96 1.74 1 77 MET 2.83 2.49 1 78 ILE 4.34 2.26 1 79 GLN 3.92 2.27 1 80 GLU 1.42 0.22 1 81 VAL 1.70 -0.28 1 82 LYS 0.32 0.86 1 84 GLU -2.29 -2.02 1 85 VAL -4.37 -3.25 1 86 THR 0.20 -0.89 1 87 ILE -2.57 -1.79 1 89 TYR -5.63 -2.13 1 90 ASN -4.04 0.21 1 93 GLN 0.28 -0.93 1 94 ALA -1.86 -1.41 1 95 ASP 3.07 0.02 1 97 LYS 3.42 1.50 1 98 GLN 2.64 2.30 1 99 LEU 2.88 0.13 1 100 GLU 2.63 1.80 1 101 VAL 3.34 1.81 1 102 LEU 2.51 0.91 1 103 PHE 1.38 -0.18 1 104 GLN 0.05 0.40 1 112 HIS -2.95 1.94 1 115 LYS 0.74 -1.04 1 stop_ save_