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 bmr11597_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.70 _LACS_plot.Line_1_terminator_val_y_1 -2.68 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.79 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.71 _LACS_plot.Line_2_terminator_val_x_2 6.40 _LACS_plot.Line_2_terminator_val_y_2 5.10 _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 37 PHE -7.19 -1.87 0 93 LEU 3.92 0.11 0 55 GLU -5.37 0.10 0 10 GLU 0.47 0.41 1 11 ALA 0.19 0.18 1 12 ALA -1.19 -0.72 1 13 ALA 1.28 -0.18 1 15 TRP -5.78 -4.13 1 16 TYR 0.95 -0.27 1 17 HIS -3.16 1.08 1 20 LEU -2.11 0.01 1 21 SER -2.06 -0.48 1 22 ARG 5.56 4.57 1 23 THR 5.39 4.42 1 24 ASP 4.37 3.43 1 25 ALA 3.94 3.06 1 26 GLU 5.00 3.71 1 27 ASN 3.46 2.75 1 28 SER 3.49 3.33 1 29 LEU -1.13 0.80 1 30 LEU 3.08 2.83 1 31 ARG 2.19 0.23 1 32 MET 1.27 -0.77 1 34 GLU 1.27 1.39 1 36 THR 3.48 2.05 1 38 LEU -3.38 -0.78 1 39 VAL -2.51 -0.86 1 40 ARG -7.70 -3.92 1 41 ASP 1.39 1.21 1 42 SER 0.21 -0.42 1 43 THR 2.23 1.43 1 44 SER 0.87 0.90 1 45 SER -1.69 -1.97 1 48 ASP -2.21 -1.23 1 49 TYR -5.62 -0.91 1 50 VAL -3.03 -0.39 1 51 LEU -4.28 -1.52 1 52 SER -1.73 0.18 1 54 SER -1.63 -2.14 1 56 ASN 0.95 0.68 1 58 LYS -4.16 -2.16 1 59 VAL -1.16 -1.13 1 60 THR -2.65 -2.39 1 61 HIS -5.15 -0.46 1 62 TYR -3.05 -1.04 1 63 LYS 1.94 2.00 1 64 LEU -1.66 -1.12 1 65 SER -1.67 -0.84 1 66 ALA -0.49 -0.48 1 67 GLU -2.94 -0.83 1 68 GLU 2.32 0.49 1 70 LYS -3.29 -1.34 1 71 ILE -4.32 -3.65 1 72 ARG -3.39 -1.87 1 73 ILE -1.14 -0.65 1 74 ASP 3.24 2.42 1 75 THR 0.94 0.11 1 76 HIS -3.09 0.42 1 77 LEU -3.99 -1.72 1 78 PHE -4.61 -0.94 1 79 ASP 2.75 3.32 1 80 ASN -2.10 -1.48 1 81 LEU 2.72 3.21 1 82 ASP 3.79 3.88 1 83 ALA 2.67 2.30 1 84 ALA 2.46 1.47 1 85 ILE 4.60 1.15 1 86 THR 6.39 5.37 1 87 PHE 4.46 4.63 1 88 TYR 6.40 4.15 1 89 MET 2.43 2.02 1 90 GLU -2.64 -1.03 1 91 HIS -1.52 0.09 1 92 GLU 0.82 1.10 1 94 GLU 2.80 3.27 1 95 TYR -1.41 0.79 1 96 SER -3.57 -1.55 1 97 SER -1.16 -0.08 1 98 LEU 1.82 -0.03 1 99 LYS -1.00 0.72 1 100 GLN -2.31 -0.68 1 102 LEU 0.19 -0.05 1 103 GLN 0.43 0.56 1 104 ARG 2.01 2.16 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11597_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.70 _LACS_plot.Line_1_terminator_val_y_1 5.02 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.21 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.29 _LACS_plot.Line_2_terminator_val_x_2 6.40 _LACS_plot.Line_2_terminator_val_y_2 -1.30 _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 37 PHE -7.19 5.32 0 93 LEU 3.92 -3.81 0 55 GLU -5.37 5.47 0 10 GLU 0.47 -0.06 1 11 ALA 0.19 -0.01 1 12 ALA -1.19 0.47 1 13 ALA 1.28 -1.46 1 15 TRP -5.78 1.65 1 16 TYR 0.95 -1.22 1 17 HIS -3.16 4.24 1 20 LEU -2.11 2.12 1 21 SER -2.06 1.58 1 22 ARG 5.56 -0.99 1 23 THR 5.39 -0.97 1 24 ASP 4.37 -0.94 1 25 ALA 3.94 -0.88 1 26 GLU 5.00 -1.29 1 27 ASN 3.46 -0.71 1 28 SER 3.49 -0.16 1 29 LEU -1.13 1.93 1 30 LEU 3.08 -0.25 1 31 ARG 2.19 -1.96 1 32 MET 1.27 -2.04 1 34 GLU 1.27 0.12 1 36 THR 3.48 -1.43 1 38 LEU -3.38 2.60 1 39 VAL -2.51 1.65 1 40 ARG -7.70 3.78 1 41 ASP 1.39 -0.18 1 42 SER 0.21 -0.63 1 43 THR 2.23 -0.80 1 44 SER 0.87 0.03 1 45 SER -1.69 -0.28 1 48 ASP -2.21 0.98 1 49 TYR -5.62 4.71 1 50 VAL -3.03 2.64 1 51 LEU -4.28 2.76 1 52 SER -1.73 1.91 1 54 SER -1.63 -0.51 1 56 ASN 0.95 -0.27 1 58 LYS -4.16 2.00 1 59 VAL -1.16 0.03 1 60 THR -2.65 0.26 1 61 HIS -5.15 4.69 1 62 TYR -3.05 2.01 1 63 LYS 1.94 0.06 1 64 LEU -1.66 0.54 1 65 SER -1.67 0.83 1 66 ALA -0.49 0.01 1 67 GLU -2.94 2.11 1 68 GLU 2.32 -1.83 1 70 LYS -3.29 1.95 1 71 ILE -4.32 0.67 1 72 ARG -3.39 1.52 1 73 ILE -1.14 0.49 1 74 ASP 3.24 -0.82 1 75 THR 0.94 -0.83 1 76 HIS -3.09 3.51 1 77 LEU -3.99 2.27 1 78 PHE -4.61 3.67 1 79 ASP 2.75 0.57 1 80 ASN -2.10 0.62 1 81 LEU 2.72 0.49 1 82 ASP 3.79 0.09 1 83 ALA 2.67 -0.37 1 84 ALA 2.46 -0.99 1 85 ILE 4.60 -3.45 1 86 THR 6.39 -1.02 1 87 PHE 4.46 0.17 1 88 TYR 6.40 -2.25 1 89 MET 2.43 -0.41 1 90 GLU -2.64 1.61 1 91 HIS -1.52 1.61 1 92 GLU 0.82 0.28 1 94 GLU 2.80 0.47 1 95 TYR -1.41 2.20 1 96 SER -3.57 2.02 1 97 SER -1.16 1.08 1 98 LEU 1.82 -1.85 1 99 LYS -1.00 1.72 1 100 GLN -2.31 1.63 1 102 LEU 0.19 -0.24 1 103 GLN 0.43 0.13 1 104 ARG 2.01 0.15 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11597_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.70 _LACS_plot.Line_1_terminator_val_y_1 0.94 _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 0.22 _LACS_plot.Line_2_terminator_val_x_2 6.40 _LACS_plot.Line_2_terminator_val_y_2 -0.63 _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 84 ALA 2.46 -2.22 0 10 GLU 0.47 -0.20 1 11 ALA 0.19 -0.14 1 12 ALA -1.19 -0.07 1 13 ALA 1.28 -0.54 1 15 TRP -5.78 0.00 1 16 TYR 0.95 0.87 1 17 HIS -3.16 -0.31 1 20 LEU -2.11 0.04 1 21 SER -2.06 -0.09 1 22 ARG 5.56 -0.81 1 23 THR 5.39 -0.41 1 24 ASP 4.37 -0.15 1 25 ALA 3.94 -0.45 1 26 GLU 5.00 -0.38 1 27 ASN 3.46 -0.27 1 28 SER 3.49 -0.15 1 29 LEU -1.13 -0.22 1 30 LEU 3.08 -0.45 1 31 ARG 2.19 -0.14 1 32 MET 1.27 0.35 1 34 GLU 1.27 -0.26 1 36 THR 3.48 1.35 1 37 PHE -7.19 1.35 1 38 LEU -3.38 0.59 1 39 VAL -2.51 1.38 1 40 ARG -7.70 1.31 1 41 ASP 1.39 0.11 1 42 SER 0.21 -0.11 1 43 THR 2.23 -0.06 1 44 SER 0.87 0.00 1 45 SER -1.69 0.04 1 48 ASP -2.21 0.52 1 49 TYR -5.62 0.89 1 50 VAL -3.03 0.76 1 51 LEU -4.28 0.93 1 52 SER -1.73 1.54 1 54 SER -1.63 0.51 1 55 GLU -5.37 0.34 1 56 ASN 0.95 -0.62 1 58 LYS -4.16 0.36 1 59 VAL -1.16 1.08 1 60 THR -2.65 -0.09 1 61 HIS -5.15 0.85 1 62 TYR -3.05 0.20 1 63 LYS 1.94 0.12 1 64 LEU -1.66 0.65 1 65 SER -1.67 0.26 1 66 ALA -0.49 0.67 1 67 GLU -2.94 0.14 1 68 GLU 2.32 -0.45 1 70 LYS -3.29 0.42 1 71 ILE -4.32 0.83 1 72 ARG -3.39 1.07 1 73 ILE -1.14 0.46 1 74 ASP 3.24 -0.42 1 75 THR 0.94 -0.21 1 76 HIS -3.09 -0.44 1 77 LEU -3.99 0.54 1 78 PHE -4.61 0.21 1 79 ASP 2.75 -0.28 1 80 ASN -2.10 -0.12 1 81 LEU 2.72 -0.57 1 82 ASP 3.79 -0.36 1 83 ALA 2.67 -0.26 1 85 ILE 4.60 -1.03 1 86 THR 6.39 -0.59 1 87 PHE 4.46 -0.50 1 88 TYR 6.40 0.25 1 89 MET 2.43 0.28 1 90 GLU -2.64 -0.02 1 91 HIS -1.52 -0.34 1 92 GLU 0.82 -0.64 1 93 LEU 3.92 -0.18 1 94 GLU 2.80 -0.44 1 95 TYR -1.41 0.04 1 96 SER -3.57 0.41 1 97 SER -1.16 0.44 1 98 LEU 1.82 -0.30 1 99 LYS -1.00 0.31 1 100 GLN -2.31 0.42 1 102 LEU 0.19 -0.15 1 103 GLN 0.43 -0.02 1 104 ARG 2.01 -0.47 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11597_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.70 _LACS_plot.Line_1_terminator_val_y_1 -2.61 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.29 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.88 _LACS_plot.Line_2_terminator_val_x_2 6.40 _LACS_plot.Line_2_terminator_val_y_2 1.53 _LACS_plot.Y_axis_chem_shift_offset 0.31 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 104 ARG 2.01 4.90 0 10 GLU 0.47 -0.34 1 11 ALA 0.19 -0.56 1 12 ALA -1.19 -0.79 1 13 ALA 1.28 1.22 1 15 TRP -5.78 0.21 1 16 TYR 0.95 -1.03 1 17 HIS -3.16 0.69 1 20 LEU -2.11 -0.97 1 21 SER -2.06 -0.24 1 22 ARG 5.56 1.75 1 23 THR 5.39 1.52 1 24 ASP 4.37 3.14 1 25 ALA 3.94 1.13 1 26 GLU 5.00 1.38 1 27 ASN 3.46 2.97 1 28 SER 3.49 0.41 1 29 LEU -1.13 0.56 1 30 LEU 3.08 0.27 1 31 ARG 2.19 0.17 1 32 MET 1.27 0.37 1 34 GLU 1.27 0.77 1 36 THR 3.48 -0.50 1 37 PHE -7.19 -4.12 1 38 LEU -3.38 -3.54 1 39 VAL -2.51 -2.83 1 40 ARG -7.70 -1.51 1 41 ASP 1.39 0.16 1 42 SER 0.21 1.87 1 44 SER 0.87 0.09 1 45 SER -1.69 -2.56 1 48 ASP -2.21 0.03 1 49 TYR -5.62 -1.23 1 50 VAL -3.03 -2.24 1 51 LEU -4.28 -2.61 1 52 SER -1.73 -1.61 1 54 SER -1.63 -0.52 1 55 GLU -5.37 -1.38 1 56 ASN 0.95 0.01 1 58 LYS -4.16 -2.40 1 59 VAL -1.16 -1.18 1 60 THR -2.65 -1.95 1 61 HIS -5.15 1.34 1 62 TYR -3.05 -0.87 1 63 LYS 1.94 -1.06 1 64 LEU -1.66 -2.02 1 65 SER -1.67 -1.15 1 66 ALA -0.49 0.07 1 67 GLU -2.94 -1.46 1 68 GLU 2.32 -0.52 1 70 LYS -3.29 -0.82 1 71 ILE -4.32 -2.43 1 72 ARG -3.39 -0.29 1 73 ILE -1.14 -2.16 1 74 ASP 3.24 -0.24 1 75 THR 0.94 -0.59 1 76 HIS -3.09 -1.36 1 77 LEU -3.99 -1.79 1 78 PHE -4.61 0.66 1 79 ASP 2.75 -0.88 1 80 ASN -2.10 -0.46 1 81 LEU 2.72 -0.05 1 82 ASP 3.79 2.23 1 83 ALA 2.67 1.91 1 84 ALA 2.46 -0.32 1 85 ILE 4.60 1.33 1 86 THR 6.39 2.67 1 87 PHE 4.46 3.79 1 88 TYR 6.40 -1.21 1 89 MET 2.43 1.28 1 90 GLU -2.64 -2.16 1 91 HIS -1.52 -1.79 1 92 GLU 0.82 0.91 1 93 LEU 3.92 -1.84 1 94 GLU 2.80 0.18 1 95 TYR -1.41 0.09 1 96 SER -3.57 0.10 1 97 SER -1.16 0.30 1 98 LEU 1.82 -0.52 1 99 LYS -1.00 -0.47 1 100 GLN -2.31 -2.61 1 102 LEU 0.19 -1.75 1 103 GLN 0.43 -0.67 1 stop_ save_