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 bmr17365_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.06 _LACS_plot.Line_1_terminator_val_y_1 -3.03 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.05 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.26 _LACS_plot.Line_2_terminator_val_x_2 4.69 _LACS_plot.Line_2_terminator_val_y_2 3.42 _LACS_plot.Y_axis_chem_shift_offset -0.14 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 54 TRP 0.01 2.38 0 55 ILE -7.06 -2.98 0 66 ASP -4.36 -0.20 0 10 GLU 0.51 0.47 1 11 PHE -0.16 -0.14 1 12 MET -0.63 -0.15 1 13 VAL 0.23 0.05 1 14 VAL -0.33 -0.17 1 15 ASP -0.40 -0.18 1 16 VAL 0.28 0.05 1 17 THR 0.37 0.42 1 18 ILE 0.12 0.02 1 19 GLU -0.10 0.23 1 20 ASP 0.28 0.37 1 21 SER 0.45 0.38 1 22 TYR 0.27 0.20 1 23 SER -0.11 0.01 1 24 THR 0.14 -0.07 1 25 GLU -0.28 0.16 1 26 SER -2.18 -0.22 1 27 ALA -5.06 -1.81 1 28 TRP -3.83 -1.33 1 29 VAL -5.11 -2.75 1 30 ARG -2.76 -2.05 1 32 ASP 1.75 2.99 1 33 ASP 0.43 1.56 1 35 PHE 4.63 1.44 1 36 LYS 1.02 1.87 1 37 TRP -2.96 -0.84 1 38 ARG -5.61 -3.01 1 39 ARG -0.26 -0.51 1 40 ILE -2.57 -0.92 1 42 ALA 2.96 2.05 1 43 SER 2.56 1.43 1 44 VAL 1.46 0.78 1 45 VAL 4.14 3.00 1 47 SER -0.17 0.26 1 48 ILE 0.97 0.56 1 49 ASP -0.72 -0.18 1 50 GLU 1.85 1.64 1 51 SER 0.34 0.49 1 52 SER -0.36 0.11 1 53 ARG -0.88 -0.22 1 57 MET 2.99 2.48 1 59 ASN 0.76 0.80 1 60 SER 2.35 1.74 1 61 ASP -0.72 -1.39 1 62 LYS 3.01 0.96 1 63 ARG 2.36 2.19 1 64 PHE -3.39 -2.00 1 65 ALA -1.55 -1.05 1 68 SER 1.52 1.40 1 69 LYS -0.06 -1.54 1 70 SER 1.27 1.01 1 71 GLN -0.55 1.82 1 72 GLU 1.36 2.56 1 73 MET -5.36 -1.63 1 74 SER -1.45 -0.31 1 75 ASN 4.19 2.85 1 76 GLU 4.51 3.53 1 77 GLU 1.85 2.18 1 78 ILE 4.69 3.30 1 79 ASN 3.53 2.05 1 80 GLU 2.46 2.15 1 81 GLU 2.54 2.29 1 82 LEU -0.04 0.39 1 84 ILE -0.19 -0.06 1 86 GLN 0.14 0.23 1 87 ASP 0.47 0.46 1 88 GLU -0.05 0.27 1 89 ALA 0.38 0.49 1 90 ASP 0.29 0.32 1 91 ALA 0.11 0.21 1 92 TYR 0.26 0.17 1 93 ASP -0.44 -0.37 1 95 ASP 0.76 0.79 1 96 ALA 1.15 1.01 1 97 ALA 0.51 0.36 1 98 LYS 0.45 0.20 1 99 ARG 0.05 0.17 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17365_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.06 _LACS_plot.Line_1_terminator_val_y_1 4.03 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.95 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.74 _LACS_plot.Line_2_terminator_val_x_2 4.69 _LACS_plot.Line_2_terminator_val_y_2 -1.27 _LACS_plot.Y_axis_chem_shift_offset -0.14 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 54 TRP 0.01 2.37 0 55 ILE -7.06 4.08 0 66 ASP -4.36 4.16 0 10 GLU 0.51 -0.04 1 11 PHE -0.16 0.02 1 12 MET -0.63 0.48 1 13 VAL 0.23 -0.18 1 14 VAL -0.33 0.16 1 15 ASP -0.40 0.22 1 16 VAL 0.28 -0.23 1 17 THR 0.37 0.05 1 18 ILE 0.12 -0.10 1 19 GLU -0.10 0.33 1 20 ASP 0.28 0.09 1 21 SER 0.45 -0.07 1 22 TYR 0.27 -0.07 1 23 SER -0.11 0.12 1 24 THR 0.14 -0.21 1 25 GLU -0.28 0.44 1 26 SER -2.18 1.96 1 27 ALA -5.06 3.25 1 28 TRP -3.83 2.50 1 29 VAL -5.11 2.36 1 30 ARG -2.76 0.71 1 32 ASP 1.75 1.24 1 33 ASP 0.43 1.13 1 35 PHE 4.63 -3.19 1 36 LYS 1.02 0.85 1 37 TRP -2.96 2.12 1 38 ARG -5.61 2.60 1 39 ARG -0.26 -0.25 1 40 ILE -2.57 1.65 1 42 ALA 2.96 -0.91 1 43 SER 2.56 -1.13 1 44 VAL 1.46 -0.68 1 45 VAL 4.14 -1.14 1 47 SER -0.17 0.43 1 48 ILE 0.97 -0.41 1 49 ASP -0.72 0.54 1 50 GLU 1.85 -0.21 1 51 SER 0.34 0.15 1 52 SER -0.36 0.47 1 53 ARG -0.88 0.66 1 57 MET 2.99 -0.51 1 59 ASN 0.76 0.04 1 60 SER 2.35 -0.61 1 61 ASP -0.72 -0.67 1 62 LYS 3.01 -2.05 1 63 ARG 2.36 -0.17 1 64 PHE -3.39 1.39 1 65 ALA -1.55 0.50 1 68 SER 1.52 -0.12 1 69 LYS -0.06 -1.48 1 70 SER 1.27 -0.26 1 71 GLN -0.55 2.37 1 72 GLU 1.36 1.20 1 73 MET -5.36 3.73 1 74 SER -1.45 1.14 1 75 ASN 4.19 -1.34 1 76 GLU 4.51 -0.98 1 77 GLU 1.85 0.33 1 78 ILE 4.69 -1.39 1 79 ASN 3.53 -1.48 1 80 GLU 2.46 -0.31 1 81 GLU 2.54 -0.25 1 82 LEU -0.04 0.43 1 84 ILE -0.19 0.13 1 86 GLN 0.14 0.09 1 87 ASP 0.47 -0.01 1 88 GLU -0.05 0.32 1 89 ALA 0.38 0.11 1 90 ASP 0.29 0.03 1 91 ALA 0.11 0.10 1 92 TYR 0.26 -0.09 1 93 ASP -0.44 0.07 1 95 ASP 0.76 0.03 1 96 ALA 1.15 -0.14 1 97 ALA 0.51 -0.15 1 98 LYS 0.45 -0.25 1 99 ARG 0.05 0.12 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17365_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.06 _LACS_plot.Line_1_terminator_val_y_1 0.60 _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 0.15 _LACS_plot.Line_2_terminator_val_x_2 4.69 _LACS_plot.Line_2_terminator_val_y_2 -0.44 _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 55 ILE -7.06 1.51 0 10 GLU 0.51 -0.14 1 11 PHE -0.16 0.04 1 12 MET -0.63 0.00 1 13 VAL 0.23 0.03 1 14 VAL -0.33 0.04 1 15 ASP -0.40 0.04 1 16 VAL 0.28 0.10 1 17 THR 0.37 0.00 1 18 ILE 0.12 0.03 1 19 GLU -0.10 -0.10 1 20 ASP 0.28 -0.06 1 21 SER 0.45 -0.10 1 22 TYR 0.27 0.04 1 23 SER -0.11 0.02 1 24 THR 0.14 0.00 1 25 GLU -0.28 0.02 1 26 SER -2.18 0.33 1 27 ALA -5.06 0.31 1 28 TRP -3.83 0.61 1 29 VAL -5.11 0.55 1 30 ARG -2.76 0.16 1 32 ASP 1.75 -0.09 1 33 ASP 0.43 0.20 1 35 PHE 4.63 -0.20 1 36 LYS 1.02 0.21 1 37 TRP -2.96 0.35 1 38 ARG -5.61 0.21 1 39 ARG -0.26 -0.57 1 40 ILE -2.57 0.42 1 42 ALA 2.96 -0.44 1 43 SER 2.56 -0.29 1 44 VAL 1.46 0.06 1 45 VAL 4.14 -0.50 1 47 SER -0.17 0.08 1 48 ILE 0.97 0.00 1 49 ASP -0.72 0.02 1 50 GLU 1.85 -0.12 1 51 SER 0.34 0.06 1 52 SER -0.36 0.07 1 53 ARG -0.88 0.22 1 54 TRP 0.01 -0.28 1 57 MET 2.99 -0.16 1 59 ASN 0.76 -0.13 1 60 SER 2.35 -0.17 1 61 ASP -0.72 0.04 1 62 LYS 3.01 -0.28 1 63 ARG 2.36 -0.45 1 64 PHE -3.39 0.21 1 65 ALA -1.55 0.69 1 66 ASP -4.36 0.02 1 68 SER 1.52 -0.16 1 69 LYS -0.06 0.16 1 70 SER 1.27 -0.22 1 71 GLN -0.55 -0.15 1 72 GLU 1.36 -0.38 1 73 MET -5.36 0.25 1 74 SER -1.45 -0.03 1 75 ASN 4.19 -0.58 1 76 GLU 4.51 -0.38 1 77 GLU 1.85 -0.39 1 78 ILE 4.69 -1.14 1 79 ASN 3.53 -0.60 1 80 GLU 2.46 -0.31 1 81 GLU 2.54 -0.31 1 82 LEU -0.04 -0.18 1 84 ILE -0.19 -0.03 1 86 GLN 0.14 -0.05 1 87 ASP 0.47 -0.07 1 88 GLU -0.05 -0.11 1 89 ALA 0.38 -0.09 1 90 ASP 0.29 -0.11 1 91 ALA 0.11 -0.07 1 92 TYR 0.26 -0.05 1 93 ASP -0.44 -0.06 1 95 ASP 0.76 -0.06 1 96 ALA 1.15 -0.18 1 97 ALA 0.51 -0.07 1 98 LYS 0.45 -0.03 1 99 ARG 0.05 0.03 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17365_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.06 _LACS_plot.Line_1_terminator_val_y_1 -2.22 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.58 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.81 _LACS_plot.Line_2_terminator_val_x_2 4.69 _LACS_plot.Line_2_terminator_val_y_2 1.62 _LACS_plot.Y_axis_chem_shift_offset 0.06 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 29 VAL -5.11 -4.10 0 55 ILE -7.06 -0.78 0 10 GLU 0.51 -0.52 1 11 PHE -0.16 -0.01 1 12 MET -0.63 -0.96 1 13 VAL 0.23 -0.45 1 14 VAL -0.33 -0.91 1 15 ASP -0.40 -0.16 1 16 VAL 0.28 -0.01 1 17 THR 0.37 -0.04 1 18 ILE 0.12 -0.21 1 19 GLU -0.10 -0.34 1 20 ASP 0.28 0.02 1 21 SER 0.45 -0.24 1 22 TYR 0.27 0.09 1 23 SER -0.11 0.14 1 24 THR 0.14 -0.17 1 25 GLU -0.28 -0.17 1 26 SER -2.18 -2.61 1 27 ALA -5.06 -3.40 1 28 TRP -3.83 -0.57 1 30 ARG -2.76 -0.49 1 32 ASP 1.75 -1.37 1 33 ASP 0.43 0.55 1 35 PHE 4.63 -0.89 1 36 LYS 1.02 -0.48 1 37 TRP -2.96 1.12 1 38 ARG -5.61 -2.82 1 39 ARG -0.26 0.22 1 42 ALA 2.96 1.47 1 43 SER 2.56 1.21 1 44 VAL 1.46 1.26 1 45 VAL 4.14 0.80 1 47 SER -0.17 -0.11 1 48 ILE 0.97 -0.55 1 49 ASP -0.72 0.87 1 50 GLU 1.85 0.33 1 51 SER 0.34 -0.01 1 52 SER -0.36 -1.09 1 53 ARG -0.88 -1.27 1 54 TRP 0.01 -1.81 1 57 MET 2.99 0.13 1 59 ASN 0.76 0.50 1 60 SER 2.35 0.02 1 61 ASP -0.72 0.41 1 62 LYS 3.01 1.43 1 63 ARG 2.36 0.65 1 64 PHE -3.39 -0.25 1 65 ALA -1.55 -2.73 1 66 ASP -4.36 -0.38 1 68 SER 1.52 1.44 1 69 LYS -0.06 1.63 1 70 SER 1.27 -0.29 1 71 GLN -0.55 1.49 1 72 GLU 1.36 -1.47 1 73 MET -5.36 -1.90 1 74 SER -1.45 -0.14 1 75 ASN 4.19 1.67 1 76 GLU 4.51 2.17 1 77 GLU 1.85 2.40 1 78 ILE 4.69 0.51 1 79 ASN 3.53 2.43 1 80 GLU 2.46 2.09 1 81 GLU 2.54 1.66 1 82 LEU -0.04 0.31 1 84 ILE -0.19 0.17 1 86 GLN 0.14 -0.07 1 87 ASP 0.47 0.24 1 88 GLU -0.05 -0.03 1 89 ALA 0.38 0.08 1 90 ASP 0.29 -0.12 1 91 ALA 0.11 -0.23 1 92 TYR 0.26 -0.35 1 93 ASP -0.44 -0.01 1 95 ASP 0.76 0.39 1 96 ALA 1.15 0.44 1 97 ALA 0.51 0.28 1 98 LYS 0.45 0.03 1 99 ARG 0.05 -0.46 1 stop_ save_