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 bmr15448_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.46 _LACS_plot.Line_1_terminator_val_y_1 -2.75 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.44 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.24 _LACS_plot.Line_2_terminator_val_x_2 7.44 _LACS_plot.Line_2_terminator_val_y_2 5.55 _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 76 TYR -8.46 -1.93 0 10 ASP 0.13 -0.11 1 11 HIS 0.06 1.33 1 13 LEU 0.08 -0.09 1 14 MET 0.28 -0.20 1 15 VAL 0.04 -0.09 1 16 GLU -0.58 -0.27 1 17 ALA -0.20 -0.21 1 18 SER 0.03 -0.27 1 19 LYS 0.00 -0.19 1 21 GLU -0.77 -0.27 1 22 VAL -0.44 -0.57 1 23 ALA -0.28 -0.39 1 27 ARG -3.13 -1.42 1 28 TYR -3.46 -0.59 1 29 GLN -3.02 -2.25 1 30 VAL -1.67 -1.16 1 31 LEU -4.48 -1.37 1 32 LEU -4.22 -1.84 1 33 LEU -2.12 -1.80 1 34 ASN -1.80 -0.03 1 35 ASP -1.79 -0.13 1 36 ASP 1.02 0.98 1 37 TYR 0.03 3.42 1 40 MET 2.46 2.88 1 41 ASP 3.48 2.06 1 42 PHE 4.06 3.57 1 43 VAL 6.91 5.08 1 44 VAL 7.45 5.75 1 45 THR 6.22 4.96 1 46 VAL 5.69 4.55 1 47 LEU 4.33 2.91 1 48 GLU 2.02 2.61 1 49 GLN 3.48 2.80 1 50 PHE 1.65 1.44 1 51 PHE 1.09 0.23 1 52 ASN 3.16 1.18 1 53 LEU -1.32 -0.98 1 54 ASN -1.64 -1.98 1 55 LEU 4.53 3.30 1 56 GLU 4.38 3.41 1 57 GLN 2.22 2.55 1 58 ALA 1.44 2.08 1 59 THR 6.05 5.65 1 60 GLN 4.16 2.92 1 61 ILE 4.52 2.74 1 62 MET 6.55 3.94 1 63 LEU 5.03 3.69 1 64 HIS 2.11 4.10 1 65 VAL 6.86 4.91 1 66 HIS 2.23 3.50 1 67 THR 1.05 1.72 1 68 ARG -0.70 -0.40 1 70 ARG -3.63 -1.86 1 72 VAL 1.80 0.42 1 75 VAL -1.93 -1.07 1 77 SER -0.39 -0.23 1 78 ARG 5.71 4.67 1 79 GLU 4.46 3.40 1 80 VAL 4.24 3.40 1 81 ALA 3.53 3.37 1 82 GLU 3.05 2.83 1 83 SER 3.59 2.54 1 84 LYS 3.47 2.39 1 85 VAL 4.95 4.17 1 86 ALA 3.50 2.29 1 87 GLN 3.54 3.18 1 88 VAL 5.68 4.39 1 89 ASN 5.89 3.50 1 90 GLU 3.54 3.02 1 91 PHE 3.06 3.86 1 93 ARG 5.03 3.04 1 94 MET 3.50 2.68 1 95 ASN -0.72 0.78 1 96 GLN 4.75 0.68 1 97 HIS -4.02 -1.08 1 99 LEU 0.98 0.53 1 102 THR -3.04 -2.25 1 103 MET -6.09 -1.80 1 104 GLU -6.61 -2.17 1 105 GLN 2.75 1.89 1 106 ALA -0.27 0.62 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15448_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.46 _LACS_plot.Line_1_terminator_val_y_1 5.71 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.56 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.76 _LACS_plot.Line_2_terminator_val_x_2 7.44 _LACS_plot.Line_2_terminator_val_y_2 -1.89 _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 76 TYR -8.46 6.53 0 10 ASP 0.13 -0.24 1 11 HIS 0.06 1.27 1 13 LEU 0.08 -0.17 1 14 MET 0.28 -0.48 1 15 VAL 0.04 -0.13 1 16 GLU -0.58 0.31 1 17 ALA -0.20 -0.01 1 18 SER 0.03 -0.30 1 19 LYS 0.00 -0.19 1 21 GLU -0.77 0.50 1 22 VAL -0.44 -0.13 1 23 ALA -0.28 -0.11 1 27 ARG -3.13 1.71 1 28 TYR -3.46 2.87 1 29 GLN -3.02 0.77 1 30 VAL -1.67 0.51 1 31 LEU -4.48 3.11 1 32 LEU -4.22 2.38 1 33 LEU -2.12 0.32 1 34 ASN -1.80 1.77 1 35 ASP -1.79 1.66 1 36 ASP 1.02 -0.04 1 37 TYR 0.03 3.39 1 40 MET 2.46 0.42 1 41 ASP 3.48 -1.42 1 42 PHE 4.06 -0.49 1 43 VAL 6.91 -1.83 1 44 VAL 7.45 -1.70 1 45 THR 6.22 -1.26 1 46 VAL 5.69 -1.14 1 47 LEU 4.33 -1.42 1 48 GLU 2.02 0.59 1 49 GLN 3.48 -0.68 1 50 PHE 1.65 -0.21 1 51 PHE 1.09 -0.86 1 52 ASN 3.16 -1.98 1 53 LEU -1.32 0.34 1 54 ASN -1.64 -0.34 1 55 LEU 4.53 -1.23 1 56 GLU 4.38 -0.97 1 57 GLN 2.22 0.33 1 58 ALA 1.44 0.64 1 59 THR 6.05 -0.40 1 60 GLN 4.16 -1.24 1 61 ILE 4.52 -1.78 1 62 MET 6.55 -2.61 1 63 LEU 5.03 -1.34 1 64 HIS 2.11 1.99 1 65 VAL 6.86 -1.95 1 66 HIS 2.23 1.27 1 67 THR 1.05 0.67 1 68 ARG -0.70 0.30 1 70 ARG -3.63 1.77 1 72 VAL 1.80 -1.38 1 75 VAL -1.93 0.86 1 77 SER -0.39 0.16 1 78 ARG 5.71 -1.04 1 79 GLU 4.46 -1.06 1 80 VAL 4.24 -0.84 1 81 ALA 3.53 -0.16 1 82 GLU 3.05 -0.22 1 83 SER 3.59 -1.05 1 84 LYS 3.47 -1.08 1 85 VAL 4.95 -0.78 1 86 ALA 3.50 -1.21 1 87 GLN 3.54 -0.36 1 88 VAL 5.68 -1.29 1 89 ASN 5.89 -2.39 1 90 GLU 3.54 -0.52 1 91 PHE 3.06 0.80 1 93 ARG 5.03 -1.99 1 94 MET 3.50 -0.82 1 95 ASN -0.72 1.50 1 96 GLN 4.75 -4.07 1 97 HIS -4.02 2.94 1 99 LEU 0.98 -0.45 1 102 THR -3.04 0.79 1 103 MET -6.09 4.29 1 104 GLU -6.61 4.44 1 105 GLN 2.75 -0.86 1 106 ALA -0.27 0.89 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15448_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.46 _LACS_plot.Line_1_terminator_val_y_1 0.82 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.17 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.26 _LACS_plot.Line_2_terminator_val_x_2 7.44 _LACS_plot.Line_2_terminator_val_y_2 -0.74 _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 76 TYR -8.46 0.57 0 103 MET -6.09 1.51 0 10 ASP 0.13 -0.08 1 11 HIS 0.06 -0.10 1 13 LEU 0.08 0.01 1 14 MET 0.28 0.01 1 15 VAL 0.04 -0.03 1 16 GLU -0.58 -0.09 1 17 ALA -0.20 0.01 1 18 SER 0.03 -0.06 1 19 LYS 0.00 0.03 1 21 GLU -0.77 -0.09 1 22 VAL -0.44 0.00 1 23 ALA -0.28 -0.01 1 27 ARG -3.13 0.34 1 28 TYR -3.46 0.23 1 29 GLN -3.02 0.89 1 30 VAL -1.67 0.67 1 31 LEU -4.48 1.11 1 32 LEU -4.22 0.78 1 33 LEU -2.12 0.09 1 34 ASN -1.80 0.03 1 35 ASP -1.79 0.08 1 36 ASP 1.02 -0.12 1 37 TYR 0.03 -0.23 1 41 ASP 3.48 -0.29 1 42 PHE 4.06 -0.21 1 43 VAL 6.91 -0.86 1 44 VAL 7.45 -0.74 1 45 THR 6.22 -0.27 1 46 VAL 5.69 -0.62 1 47 LEU 4.33 0.26 1 48 GLU 2.02 0.03 1 49 GLN 3.48 -0.54 1 50 PHE 1.65 -0.37 1 51 PHE 1.09 0.16 1 52 ASN 3.16 -0.21 1 53 LEU -1.32 0.37 1 54 ASN -1.64 0.03 1 55 LEU 4.53 0.08 1 56 GLU 4.38 -0.36 1 57 GLN 2.22 -0.29 1 58 ALA 1.44 -0.38 1 59 THR 6.05 -0.66 1 60 GLN 4.16 -0.36 1 61 ILE 4.52 -0.54 1 62 MET 6.55 -0.02 1 63 LEU 5.03 -0.20 1 64 HIS 2.11 -0.15 1 65 VAL 6.86 -1.17 1 66 HIS 2.23 -0.37 1 67 THR 1.05 -0.08 1 68 ARG -0.70 0.31 1 70 ARG -3.63 1.16 1 72 VAL 1.80 -0.05 1 75 VAL -1.93 0.60 1 79 GLU 4.46 -0.35 1 80 VAL 4.24 -0.45 1 81 ALA 3.53 -0.64 1 82 GLU 3.05 -0.57 1 83 SER 3.59 -0.16 1 84 LYS 3.47 -0.40 1 85 VAL 4.95 -0.53 1 86 ALA 3.50 -0.14 1 87 GLN 3.54 -0.36 1 88 VAL 5.68 -1.27 1 89 ASN 5.89 -0.19 1 90 GLU 3.54 -0.10 1 91 PHE 3.06 -0.10 1 93 ARG 5.03 -0.12 1 94 MET 3.50 -0.32 1 95 ASN -0.72 -0.40 1 96 GLN 4.75 -0.68 1 97 HIS -4.02 0.45 1 102 THR -3.04 0.48 1 104 GLU -6.61 0.46 1 105 GLN 2.75 -0.80 1 106 ALA -0.27 -0.25 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15448_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.46 _LACS_plot.Line_1_terminator_val_y_1 -4.95 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.45 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.29 _LACS_plot.Line_2_terminator_val_x_2 7.44 _LACS_plot.Line_2_terminator_val_y_2 1.50 _LACS_plot.Y_axis_chem_shift_offset 1.40 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 76 TYR -8.46 -1.90 0 10 ASP 0.13 -1.36 1 11 HIS 0.06 0.21 1 13 LEU 0.08 -1.72 1 14 MET 0.28 -1.68 1 15 VAL 0.04 -1.68 1 16 GLU -0.58 -1.96 1 17 ALA -0.20 -1.61 1 18 SER 0.03 -1.85 1 21 GLU -0.77 -3.85 1 22 VAL -0.44 -2.30 1 27 ARG -3.13 -2.92 1 28 TYR -3.46 -2.52 1 29 GLN -3.02 -2.31 1 30 VAL -1.67 -3.24 1 31 LEU -4.48 -2.66 1 32 LEU -4.22 -3.29 1 33 LEU -2.12 -1.72 1 34 ASN -1.80 -2.14 1 35 ASP -1.79 -2.93 1 36 ASP 1.02 -2.30 1 40 MET 2.46 0.52 1 41 ASP 3.48 0.83 1 42 PHE 4.06 -0.85 1 43 VAL 6.91 -0.11 1 44 VAL 7.45 -0.42 1 45 THR 6.22 0.24 1 46 VAL 5.69 0.51 1 47 LEU 4.33 2.34 1 48 GLU 2.02 1.46 1 49 GLN 3.48 0.81 1 50 PHE 1.65 -1.83 1 51 PHE 1.09 -2.74 1 52 ASN 3.16 -2.45 1 53 LEU -1.32 -2.04 1 54 ASN -1.64 -1.51 1 55 LEU 4.53 0.78 1 56 GLU 4.38 1.47 1 57 GLN 2.22 1.76 1 58 ALA 1.44 -0.05 1 59 THR 6.05 -0.70 1 60 GLN 4.16 0.50 1 61 ILE 4.52 0.41 1 62 MET 6.55 0.20 1 63 LEU 5.03 0.15 1 64 HIS 2.11 2.40 1 65 VAL 6.86 -0.11 1 66 HIS 2.23 1.14 1 67 THR 1.05 0.23 1 68 ARG -0.70 -0.42 1 70 ARG -3.63 -4.18 1 72 VAL 1.80 -2.23 1 75 VAL -1.93 -2.92 1 77 SER -0.39 -1.23 1 78 ARG 5.71 -0.42 1 79 GLU 4.46 1.77 1 80 VAL 4.24 0.20 1 81 ALA 3.53 -0.98 1 82 GLU 3.05 1.78 1 83 SER 3.59 0.65 1 84 LYS 3.47 -0.10 1 85 VAL 4.95 -0.11 1 86 ALA 3.50 1.84 1 87 GLN 3.54 2.06 1 88 VAL 5.68 0.51 1 89 ASN 5.89 1.92 1 90 GLU 3.54 0.21 1 91 PHE 3.06 2.58 1 93 ARG 5.03 3.96 1 94 MET 3.50 -0.43 1 95 ASN -0.72 -5.57 1 96 GLN 4.75 -3.25 1 102 THR -3.04 -4.45 1 103 MET -6.09 -3.24 1 104 GLU -6.61 -3.22 1 105 GLN 2.75 -2.62 1 stop_ save_