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 bmr17776_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -2.54 _LACS_plot.Line_1_terminator_val_y_1 -1.15 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.08 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.96 _LACS_plot.Line_2_terminator_val_x_2 7.72 _LACS_plot.Line_2_terminator_val_y_2 6.40 _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 112 ARG 5.91 2.14 0 88 TYR -2.54 0.46 0 10 GLU 3.68 3.33 1 11 LEU 4.03 3.00 1 12 SER 5.34 4.40 1 13 ASN 3.47 2.98 1 14 THR 7.72 6.06 1 15 PHE 6.15 5.24 1 16 ASP 4.53 3.52 1 17 LYS 3.96 3.13 1 18 ILE 4.57 3.92 1 19 ALA 3.56 2.27 1 20 GLU -0.24 -0.31 1 22 ASN 0.64 -1.43 1 23 LEU 1.38 0.04 1 24 GLU -0.79 -1.28 1 25 ALA 0.28 0.04 1 26 GLU -1.47 -1.04 1 27 VAL 0.96 0.57 1 29 HIS 4.59 3.23 1 30 GLN 1.57 2.76 1 31 ASN 0.90 -0.37 1 32 ARG -1.45 0.81 1 33 ALA -0.99 -1.23 1 34 ASP -2.53 -2.01 1 36 ILE 5.44 2.53 1 38 ILE 5.15 3.92 1 39 LEU 3.55 2.69 1 40 ALA 2.83 3.38 1 41 LYS 4.77 4.34 1 42 SER 4.97 4.15 1 43 ILE 5.80 4.12 1 44 GLU 3.63 1.67 1 45 ARG 5.07 4.23 1 46 LEU 4.46 3.03 1 47 ARG 5.20 4.83 1 48 ARG 4.73 4.07 1 49 SER 4.22 3.47 1 50 LEU 3.30 2.71 1 51 LYS 4.23 3.15 1 52 GLN 4.16 3.11 1 53 LEU 3.15 2.98 1 54 ALA 3.92 2.67 1 55 ASP 4.34 3.28 1 56 ASP 4.24 3.35 1 57 ARG 4.86 4.14 1 58 THR 6.16 5.03 1 59 LEU 3.27 2.76 1 60 LEU 3.29 2.93 1 61 MET 3.56 2.62 1 62 ALA 3.62 2.55 1 64 VAL 4.55 3.57 1 65 SER 3.84 3.13 1 66 HIS 3.38 4.36 1 67 ASP 4.27 3.08 1 68 LEU 0.98 1.80 1 69 ARG 4.21 3.55 1 70 THR 7.56 6.85 1 72 LEU 4.39 3.35 1 73 THR 5.99 4.96 1 74 ARG 5.00 5.03 1 75 ILE 6.06 4.86 1 78 ALA 3.89 2.65 1 79 THR 4.20 3.36 1 80 GLU 1.83 1.42 1 81 MET -0.13 -0.37 1 82 MET 0.82 1.86 1 86 ASP -0.35 -0.52 1 89 LEU 2.10 1.63 1 90 ALA 3.42 2.74 1 91 GLU 3.10 2.82 1 92 SER 4.20 3.48 1 93 ILE 5.06 4.37 1 94 ASN 4.75 4.42 1 97 ILE 5.74 3.95 1 98 GLU 3.96 2.97 1 99 GLU 3.91 3.23 1 101 ASN 3.95 3.47 1 102 ALA 3.76 2.62 1 103 ILE 4.18 3.46 1 105 GLU 2.99 2.66 1 106 GLN 0.23 2.39 1 107 PHE 2.29 2.00 1 108 ILE 3.64 2.47 1 109 ASP 2.27 2.17 1 110 TYR 0.89 0.75 1 111 LEU 0.44 0.14 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17776_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -2.54 _LACS_plot.Line_1_terminator_val_y_1 1.39 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.92 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.04 _LACS_plot.Line_2_terminator_val_x_2 7.72 _LACS_plot.Line_2_terminator_val_y_2 -1.32 _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 112 ARG 5.91 -3.77 0 88 TYR -2.54 3.00 0 10 GLU 3.68 -0.35 1 11 LEU 4.03 -1.03 1 12 SER 5.34 -0.94 1 13 ASN 3.47 -0.49 1 14 THR 7.72 -1.66 1 15 PHE 6.15 -0.91 1 16 ASP 4.53 -1.01 1 17 LYS 3.96 -0.83 1 18 ILE 4.57 -0.65 1 19 ALA 3.56 -1.29 1 20 GLU -0.24 -0.07 1 22 ASN 0.64 -2.07 1 23 LEU 1.38 -1.34 1 24 GLU -0.79 -0.49 1 25 ALA 0.28 -0.24 1 26 GLU -1.47 0.43 1 27 VAL 0.96 -0.39 1 29 HIS 4.59 -1.36 1 30 GLN 1.57 1.19 1 31 ASN 0.90 -1.27 1 32 ARG -1.45 2.26 1 33 ALA -0.99 -0.24 1 34 ASP -2.53 0.52 1 36 ILE 5.44 -2.91 1 38 ILE 5.15 -1.23 1 39 LEU 3.55 -0.86 1 40 ALA 2.83 0.55 1 41 LYS 4.77 -0.43 1 42 SER 4.97 -0.82 1 43 ILE 5.80 -1.68 1 44 GLU 3.63 -1.96 1 45 ARG 5.07 -0.84 1 46 LEU 4.46 -1.43 1 47 ARG 5.20 -0.37 1 48 ARG 4.73 -0.66 1 49 SER 4.22 -0.75 1 50 LEU 3.30 -0.59 1 51 LYS 4.23 -1.08 1 52 GLN 4.16 -1.05 1 53 LEU 3.15 -0.17 1 54 ALA 3.92 -1.25 1 55 ASP 4.34 -1.06 1 56 ASP 4.24 -0.89 1 57 ARG 4.86 -0.72 1 58 THR 6.16 -1.13 1 59 LEU 3.27 -0.51 1 60 LEU 3.29 -0.36 1 61 MET 3.56 -0.94 1 62 ALA 3.62 -1.07 1 64 VAL 4.55 -0.98 1 65 SER 3.84 -0.71 1 66 HIS 3.38 0.98 1 67 ASP 4.27 -1.19 1 68 LEU 0.98 0.82 1 69 ARG 4.21 -0.66 1 70 THR 7.56 -0.71 1 72 LEU 4.39 -1.04 1 73 THR 5.99 -1.03 1 74 ARG 5.00 0.03 1 75 ILE 6.06 -1.20 1 78 ALA 3.89 -1.24 1 79 THR 4.20 -0.84 1 80 GLU 1.83 -0.41 1 81 MET -0.13 -0.24 1 82 MET 0.82 1.04 1 86 ASP -0.35 -0.17 1 89 LEU 2.10 -0.47 1 90 ALA 3.42 -0.68 1 91 GLU 3.10 -0.28 1 92 SER 4.20 -0.72 1 93 ILE 5.06 -0.69 1 94 ASN 4.75 -0.33 1 97 ILE 5.74 -1.79 1 98 GLU 3.96 -0.99 1 99 GLU 3.91 -0.68 1 101 ASN 3.95 -0.48 1 102 ALA 3.76 -1.14 1 103 ILE 4.18 -0.72 1 105 GLU 2.99 -0.33 1 106 GLN 0.23 2.16 1 107 PHE 2.29 -0.29 1 108 ILE 3.64 -1.17 1 109 ASP 2.27 -0.10 1 110 TYR 0.89 -0.14 1 111 LEU 0.44 -0.30 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17776_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -2.54 _LACS_plot.Line_1_terminator_val_y_1 0.07 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.20 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.02 _LACS_plot.Line_2_terminator_val_x_2 7.72 _LACS_plot.Line_2_terminator_val_y_2 -0.52 _LACS_plot.Y_axis_chem_shift_offset 0.09 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 86 ASP -0.35 0.46 0 11 LEU 4.03 -0.23 1 12 SER 5.34 -0.37 1 13 ASN 3.47 -0.19 1 14 THR 7.72 -0.46 1 15 PHE 6.15 -0.61 1 16 ASP 4.53 -0.35 1 17 LYS 3.96 -0.24 1 18 ILE 4.57 -0.56 1 19 ALA 3.56 -0.47 1 20 GLU -0.24 -0.09 1 22 ASN 0.64 0.15 1 23 LEU 1.38 -0.22 1 24 GLU -0.79 -0.13 1 25 ALA 0.28 -0.36 1 26 GLU -1.47 -0.20 1 27 VAL 0.96 -0.17 1 29 HIS 4.59 -0.49 1 30 GLN 1.57 -0.27 1 31 ASN 0.90 -0.05 1 32 ARG -1.45 0.20 1 33 ALA -0.99 0.24 1 34 ASP -2.53 0.06 1 36 ILE 5.44 -0.60 1 38 ILE 5.15 -0.54 1 39 LEU 3.55 -0.17 1 40 ALA 2.83 -0.51 1 41 LYS 4.77 -0.39 1 42 SER 4.97 -0.07 1 43 ILE 5.80 -0.60 1 44 GLU 3.63 0.22 1 45 ARG 5.07 -0.38 1 46 LEU 4.46 -0.12 1 47 ARG 5.20 -0.69 1 48 ARG 4.73 -0.45 1 49 SER 4.22 -0.10 1 50 LEU 3.30 -0.17 1 51 LYS 4.23 -0.32 1 52 GLN 4.16 -0.26 1 53 LEU 3.15 -0.19 1 54 ALA 3.92 -0.20 1 55 ASP 4.34 -0.14 1 56 ASP 4.24 -0.20 1 57 ARG 4.86 -0.26 1 58 THR 6.16 -0.40 1 59 LEU 3.27 -0.20 1 60 LEU 3.29 -0.23 1 61 MET 3.56 -0.32 1 62 ALA 3.62 -0.19 1 64 VAL 4.55 -0.31 1 65 SER 3.84 -0.49 1 66 HIS 3.38 -0.80 1 67 ASP 4.27 -0.18 1 68 LEU 0.98 -0.13 1 69 ARG 4.21 -0.40 1 70 THR 7.56 -0.23 1 72 LEU 4.39 -0.39 1 73 THR 5.99 -0.42 1 75 ILE 6.06 -0.45 1 78 ALA 3.89 -0.18 1 79 THR 4.20 -0.31 1 80 GLU 1.83 -0.26 1 82 MET 0.82 -0.51 1 88 TYR -2.54 0.14 1 89 LEU 2.10 -0.42 1 90 ALA 3.42 -0.48 1 91 GLU 3.10 -0.34 1 92 SER 4.20 -0.46 1 93 ILE 5.06 -0.35 1 94 ASN 4.75 -0.42 1 97 ILE 5.74 -0.54 1 98 GLU 3.96 -0.23 1 99 GLU 3.91 -0.21 1 101 ASN 3.95 -0.54 1 102 ALA 3.76 -0.19 1 103 ILE 4.18 -0.36 1 105 GLU 2.99 -0.38 1 106 GLN 0.23 -0.29 1 107 PHE 2.29 -0.13 1 108 ILE 3.64 -0.44 1 109 ASP 2.27 -0.19 1 110 TYR 0.89 -0.07 1 111 LEU 0.44 -0.13 1 112 ARG 5.91 -0.19 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17776_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -2.54 _LACS_plot.Line_1_terminator_val_y_1 -0.69 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.07 _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 7.72 _LACS_plot.Line_2_terminator_val_y_2 2.88 _LACS_plot.Y_axis_chem_shift_offset -0.38 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 88 TYR -2.54 1.71 0 10 GLU 3.68 4.21 1 11 LEU 4.03 0.81 1 12 SER 5.34 1.28 1 13 ASN 3.47 2.77 1 14 THR 7.72 1.10 1 15 PHE 6.15 1.02 1 16 ASP 4.53 2.26 1 17 LYS 3.96 3.01 1 18 ILE 4.57 3.06 1 19 ALA 3.56 1.18 1 20 GLU -0.24 0.06 1 22 ASN 0.64 -0.74 1 23 LEU 1.38 -1.49 1 24 GLU -0.79 -0.58 1 25 ALA 0.28 -2.45 1 26 GLU -1.47 -0.18 1 29 HIS 4.59 0.33 1 31 ASN 0.90 0.33 1 33 ALA -0.99 -1.19 1 34 ASP -2.53 0.38 1 36 ILE 5.44 0.93 1 38 ILE 5.15 2.53 1 39 LEU 3.55 0.86 1 40 ALA 2.83 1.80 1 41 LYS 4.77 3.18 1 42 SER 4.97 2.13 1 43 ILE 5.80 0.79 1 44 GLU 3.63 1.28 1 45 ARG 5.07 1.79 1 46 LEU 4.46 0.27 1 47 ARG 5.20 1.61 1 48 ARG 4.73 3.22 1 49 SER 4.22 2.30 1 50 LEU 3.30 2.53 1 51 LYS 4.23 1.09 1 52 GLN 4.16 1.96 1 53 LEU 3.15 1.98 1 54 ALA 3.92 2.73 1 55 ASP 4.34 2.78 1 56 ASP 4.24 2.80 1 57 ARG 4.86 1.88 1 58 THR 6.16 1.99 1 59 LEU 3.27 2.44 1 60 LEU 3.29 1.76 1 61 MET 3.56 0.70 1 62 ALA 3.62 2.62 1 64 VAL 4.55 0.66 1 65 SER 3.84 1.26 1 66 HIS 3.38 3.68 1 67 ASP 4.27 2.17 1 68 LEU 0.98 -0.59 1 69 ARG 4.21 2.54 1 72 LEU 4.39 1.52 1 73 THR 5.99 1.40 1 74 ARG 5.00 3.83 1 75 ILE 6.06 0.67 1 78 ALA 3.89 2.82 1 79 THR 4.20 2.55 1 80 GLU 1.83 0.68 1 86 ASP -0.35 0.44 1 89 LEU 2.10 0.58 1 90 ALA 3.42 1.81 1 92 SER 4.20 1.76 1 97 ILE 5.74 1.93 1 98 GLU 3.96 3.14 1 99 GLU 3.91 2.21 1 101 ASN 3.95 4.55 1 102 ALA 3.76 2.71 1 105 GLU 2.99 1.84 1 106 GLN 0.23 1.55 1 107 PHE 2.29 0.77 1 108 ILE 3.64 1.05 1 109 ASP 2.27 1.39 1 110 TYR 0.89 0.42 1 111 LEU 0.44 -1.70 1 stop_ save_