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 bmr25081_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.42 _LACS_plot.Line_1_terminator_val_y_1 -2.95 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.24 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.93 _LACS_plot.Line_2_terminator_val_x_2 5.85 _LACS_plot.Line_2_terminator_val_y_2 4.31 _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 106 LEU 3.49 -0.57 0 10 HIS 0.62 1.08 1 11 MET -0.15 -1.09 1 12 GLU 3.47 2.70 1 13 TRP -5.63 -3.83 1 14 TYR 1.50 0.84 1 15 PHE -1.02 -0.28 1 17 LYS 2.74 0.79 1 18 LEU -2.44 -0.26 1 20 ARG 4.47 4.65 1 21 LYS 5.13 3.37 1 22 ASP 3.49 3.02 1 23 ALA 3.60 2.85 1 24 GLU 5.55 4.07 1 25 ARG 4.23 3.31 1 26 GLN 4.16 3.30 1 27 LEU 1.97 2.87 1 28 LEU 2.98 0.50 1 29 SER 1.27 1.49 1 30 PHE 2.69 2.22 1 32 ASN -0.95 -1.03 1 34 ARG 3.86 2.88 1 36 THR 4.86 2.91 1 37 PHE -7.42 -2.35 1 38 LEU -3.58 -0.46 1 39 ILE -2.00 -0.63 1 40 ARG -6.93 -3.48 1 41 GLU 1.14 1.65 1 42 SER -1.18 -1.11 1 43 GLU 0.59 1.75 1 44 THR 0.71 1.64 1 45 THR -0.85 -0.53 1 46 LYS 2.96 1.46 1 48 ALA -3.82 -2.75 1 49 TYR -4.59 -0.87 1 50 SER -2.92 -1.40 1 51 LEU -2.86 -1.41 1 52 SER -1.01 0.32 1 53 ILE -6.57 -1.34 1 54 ARG -0.29 0.51 1 55 ASP -6.47 -2.40 1 56 TRP -3.15 0.31 1 57 ASP -2.89 -0.68 1 58 ASP 1.87 1.35 1 59 MET 0.62 1.34 1 60 LYS -0.43 -0.05 1 62 ASP 0.88 1.30 1 63 HIS 0.39 0.92 1 64 VAL -3.54 -1.91 1 65 LYS -5.90 -0.74 1 66 HIS -5.83 -0.59 1 67 TYR -3.59 -0.91 1 68 LYS 0.68 0.06 1 69 ILE -1.37 -0.75 1 70 ARG -3.98 -1.88 1 71 LYS -4.22 -2.05 1 72 LEU -1.24 -0.64 1 73 ASP 3.60 2.67 1 74 ASN 0.74 -0.22 1 77 TYR -3.02 -0.21 1 78 TYR -2.37 -0.01 1 79 ILE 0.71 2.29 1 80 THR -3.89 -3.71 1 81 THR 4.02 3.06 1 82 ARG 1.57 1.08 1 83 ALA -1.30 -0.67 1 84 GLN -4.36 -2.35 1 85 PHE -5.02 -0.59 1 86 GLU 2.11 2.94 1 87 THR -6.89 -3.46 1 88 LEU 2.34 1.94 1 89 GLN 5.50 4.10 1 90 GLN 3.00 3.09 1 91 LEU 4.88 4.10 1 92 VAL 5.85 4.25 1 93 GLN 4.80 3.46 1 94 HIS 3.60 5.24 1 95 TYR 3.48 2.20 1 96 SER 2.03 1.57 1 97 GLU 0.29 0.95 1 98 ARG -2.20 -1.39 1 99 ALA 3.34 2.27 1 100 ALA 0.38 0.02 1 102 LEU -0.60 -0.67 1 105 ARG -0.51 0.03 1 107 VAL 1.30 2.51 1 108 VAL -4.12 -1.80 1 111 HIS 0.84 1.23 1 112 LYS 1.54 1.97 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25081_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.42 _LACS_plot.Line_1_terminator_val_y_1 4.47 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.76 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 1.07 _LACS_plot.Line_2_terminator_val_x_2 5.85 _LACS_plot.Line_2_terminator_val_y_2 -1.54 _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 106 LEU 3.49 -4.06 0 10 HIS 0.62 0.46 1 11 MET -0.15 -0.94 1 12 GLU 3.47 -0.77 1 13 TRP -5.63 1.80 1 14 TYR 1.50 -0.66 1 15 PHE -1.02 0.74 1 17 LYS 2.74 -1.95 1 18 LEU -2.44 2.18 1 20 ARG 4.47 0.18 1 21 LYS 5.13 -1.76 1 22 ASP 3.49 -0.47 1 23 ALA 3.60 -0.75 1 24 GLU 5.55 -1.48 1 25 ARG 4.23 -0.92 1 26 GLN 4.16 -0.86 1 27 LEU 1.97 0.90 1 28 LEU 2.98 -2.48 1 29 SER 1.27 0.22 1 30 PHE 2.69 -0.47 1 32 ASN -0.95 -0.08 1 34 ARG 3.86 -0.98 1 36 THR 4.86 -1.95 1 37 PHE -7.42 5.07 1 38 LEU -3.58 3.12 1 39 ILE -2.00 1.37 1 40 ARG -6.93 3.45 1 41 GLU 1.14 0.51 1 42 SER -1.18 0.07 1 43 GLU 0.59 1.16 1 44 THR 0.71 0.93 1 45 THR -0.85 0.32 1 46 LYS 2.96 -1.50 1 48 ALA -3.82 1.07 1 49 TYR -4.59 3.72 1 50 SER -2.92 1.52 1 51 LEU -2.86 1.45 1 52 SER -1.01 1.33 1 53 ILE -6.57 5.23 1 54 ARG -0.29 0.80 1 55 ASP -6.47 4.07 1 56 TRP -3.15 3.46 1 57 ASP -2.89 2.21 1 58 ASP 1.87 -0.52 1 59 MET 0.62 0.72 1 60 LYS -0.43 0.38 1 62 ASP 0.88 0.42 1 63 HIS 0.39 0.53 1 64 VAL -3.54 1.63 1 65 LYS -5.90 5.16 1 66 HIS -5.83 5.24 1 67 TYR -3.59 2.68 1 68 LYS 0.68 -0.62 1 69 ILE -1.37 0.62 1 70 ARG -3.98 2.10 1 71 LYS -4.22 2.17 1 72 LEU -1.24 0.60 1 73 ASP 3.60 -0.93 1 74 ASN 0.74 -0.96 1 77 TYR -3.02 2.81 1 78 TYR -2.37 2.36 1 79 ILE 0.71 1.58 1 80 THR -3.89 0.18 1 81 THR 4.02 -0.96 1 82 ARG 1.57 -0.49 1 83 ALA -1.30 0.63 1 84 GLN -4.36 2.01 1 85 PHE -5.02 4.43 1 86 GLU 2.11 0.83 1 87 THR -6.89 3.43 1 88 LEU 2.34 -0.40 1 89 GLN 5.50 -1.40 1 90 GLN 3.00 0.09 1 91 LEU 4.88 -0.78 1 92 VAL 5.85 -1.60 1 93 GLN 4.80 -1.34 1 94 HIS 3.60 1.64 1 95 TYR 3.48 -1.28 1 96 SER 2.03 -0.46 1 97 GLU 0.29 0.66 1 98 ARG -2.20 0.81 1 99 ALA 3.34 -1.07 1 100 ALA 0.38 -0.36 1 102 LEU -0.60 -0.07 1 105 ARG -0.51 0.54 1 107 VAL 1.30 1.21 1 108 VAL -4.12 2.32 1 111 HIS 0.84 0.39 1 112 LYS 1.54 0.43 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25081_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.42 _LACS_plot.Line_1_terminator_val_y_1 0.89 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.25 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.23 _LACS_plot.Line_2_terminator_val_x_2 5.85 _LACS_plot.Line_2_terminator_val_y_2 -0.72 _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 36 THR 4.86 0.93 0 91 LEU 4.88 -2.21 0 10 HIS 0.62 -0.24 1 11 MET -0.15 -0.75 1 12 GLU 3.47 -0.54 1 13 TRP -5.63 -0.09 1 14 TYR 1.50 0.68 1 15 PHE -1.02 -0.21 1 17 LYS 2.74 -0.11 1 18 LEU -2.44 0.06 1 20 ARG 4.47 -0.90 1 21 LYS 5.13 -0.37 1 22 ASP 3.49 -0.22 1 23 ALA 3.60 -0.55 1 24 GLU 5.55 -0.58 1 25 ARG 4.23 -0.46 1 26 GLN 4.16 -0.47 1 27 LEU 1.97 -0.52 1 28 LEU 2.98 -0.14 1 29 SER 1.27 -0.16 1 30 PHE 2.69 -0.30 1 32 ASN -0.95 0.02 1 34 ARG 3.86 -0.51 1 37 PHE -7.42 1.41 1 38 LEU -3.58 0.45 1 39 ILE -2.00 1.45 1 40 ARG -6.93 0.86 1 41 GLU 1.14 -0.15 1 42 SER -1.18 0.22 1 43 GLU 0.59 -0.15 1 44 THR 0.71 -0.11 1 45 THR -0.85 0.04 1 46 LYS 2.96 -0.20 1 48 ALA -3.82 0.60 1 49 TYR -4.59 0.63 1 50 SER -2.92 1.16 1 51 LEU -2.86 0.92 1 52 SER -1.01 0.86 1 53 ILE -6.57 0.64 1 54 ARG -0.29 0.04 1 55 ASP -6.47 0.71 1 56 TRP -3.15 0.23 1 57 ASP -2.89 -0.77 1 58 ASP 1.87 -0.79 1 59 MET 0.62 -0.11 1 60 LYS -0.43 -0.24 1 62 ASP 0.88 0.49 1 63 HIS 0.39 0.00 1 64 VAL -3.54 0.67 1 65 LYS -5.90 0.09 1 66 HIS -5.83 0.95 1 67 TYR -3.59 0.40 1 68 LYS 0.68 0.22 1 69 ILE -1.37 0.23 1 70 ARG -3.98 0.28 1 71 LYS -4.22 0.60 1 72 LEU -1.24 0.09 1 73 ASP 3.60 -0.37 1 74 ASN 0.74 -0.10 1 77 TYR -3.02 1.03 1 78 TYR -2.37 0.70 1 79 ILE 0.71 0.29 1 80 THR -3.89 0.78 1 81 THR 4.02 -1.01 1 82 ARG 1.57 -0.24 1 83 ALA -1.30 0.01 1 84 GLN -4.36 0.71 1 85 PHE -5.02 0.27 1 86 GLU 2.11 -0.13 1 87 THR -6.89 0.57 1 88 LEU 2.34 -0.70 1 89 GLN 5.50 -0.37 1 90 GLN 3.00 -0.38 1 92 VAL 5.85 -1.35 1 93 GLN 4.80 -0.60 1 94 HIS 3.60 -0.72 1 95 TYR 3.48 0.33 1 96 SER 2.03 0.36 1 97 GLU 0.29 -0.19 1 98 ARG -2.20 -0.12 1 99 ALA 3.34 -0.46 1 100 ALA 0.38 -0.34 1 102 LEU -0.60 -0.24 1 105 ARG -0.51 -0.28 1 106 LEU 3.49 -0.44 1 107 VAL 1.30 -0.18 1 108 VAL -4.12 0.48 1 111 HIS 0.84 -0.11 1 112 LYS 1.54 -0.18 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25081_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.42 _LACS_plot.Line_1_terminator_val_y_1 -2.44 _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 -0.99 _LACS_plot.Line_2_terminator_val_x_2 5.85 _LACS_plot.Line_2_terminator_val_y_2 1.52 _LACS_plot.Y_axis_chem_shift_offset 0.32 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 83 ALA -1.30 -5.08 0 10 HIS 0.62 0.59 1 11 MET -0.15 0.81 1 12 GLU 3.47 -1.04 1 13 TRP -5.63 -0.89 1 14 TYR 1.50 -0.46 1 15 PHE -1.02 -0.26 1 17 LYS 2.74 -2.11 1 18 LEU -2.44 -1.86 1 20 ARG 4.47 1.65 1 21 LYS 5.13 3.24 1 22 ASP 3.49 2.27 1 23 ALA 3.60 1.41 1 24 GLU 5.55 0.71 1 25 ARG 4.23 2.99 1 26 GLN 4.16 3.55 1 27 LEU 1.97 1.84 1 28 LEU 2.98 -1.91 1 29 SER 1.27 -1.00 1 30 PHE 2.69 1.08 1 34 ARG 3.86 0.70 1 36 THR 4.86 -0.53 1 37 PHE -7.42 -3.48 1 38 LEU -3.58 -2.70 1 39 ILE -2.00 -3.71 1 40 ARG -6.93 -0.99 1 41 GLU 1.14 -0.10 1 42 SER -1.18 1.90 1 43 GLU 0.59 1.84 1 44 THR 0.71 1.07 1 45 THR -0.85 -1.61 1 46 LYS 2.96 1.60 1 48 ALA -3.82 -1.73 1 49 TYR -4.59 -1.60 1 50 SER -2.92 -1.79 1 51 LEU -2.86 -2.63 1 52 SER -1.01 -2.34 1 53 ILE -6.57 -2.09 1 54 ARG -0.29 -3.61 1 55 ASP -6.47 -1.85 1 56 TRP -3.15 -1.11 1 57 ASP -2.89 -2.45 1 58 ASP 1.87 -0.03 1 59 MET 0.62 1.31 1 60 LYS -0.43 0.85 1 62 ASP 0.88 -1.10 1 63 HIS 0.39 -3.07 1 64 VAL -3.54 -1.14 1 65 LYS -5.90 -2.61 1 66 HIS -5.83 0.36 1 67 TYR -3.59 -0.78 1 68 LYS 0.68 -1.04 1 69 ILE -1.37 -1.11 1 70 ARG -3.98 -2.71 1 71 LYS -4.22 0.71 1 72 LEU -1.24 0.65 1 73 ASP 3.60 0.63 1 74 ASN 0.74 -0.32 1 77 TYR -3.02 1.26 1 78 TYR -2.37 -3.31 1 79 ILE 0.71 0.45 1 81 THR 4.02 0.87 1 82 ARG 1.57 -0.79 1 84 GLN -4.36 -0.57 1 85 PHE -5.02 0.05 1 86 GLU 2.11 0.28 1 87 THR -6.89 0.05 1 88 LEU 2.34 0.74 1 89 GLN 5.50 2.20 1 90 GLN 3.00 1.94 1 91 LEU 4.88 -0.22 1 92 VAL 5.85 2.28 1 93 GLN 4.80 2.37 1 94 HIS 3.60 3.56 1 95 TYR 3.48 -0.44 1 96 SER 2.03 0.51 1 97 GLU 0.29 0.11 1 98 ARG -2.20 -3.62 1 99 ALA 3.34 0.19 1 100 ALA 0.38 -1.09 1 102 LEU -0.60 -1.08 1 105 ARG -0.51 -1.40 1 106 LEU 3.49 -0.96 1 111 HIS 0.84 0.18 1 stop_ save_