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 bmr27453_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.37 _LACS_plot.Line_1_terminator_val_y_1 -2.73 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.82 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.53 _LACS_plot.Line_2_terminator_val_x_2 7.23 _LACS_plot.Line_2_terminator_val_y_2 5.64 _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 40 ILE 3.92 0.42 0 96 VAL -6.04 -2.13 0 27 ALA -3.30 0.51 0 29 PHE -4.72 -0.57 0 47 ILE 4.49 0.55 0 10 LYS 0.85 0.61 1 11 LYS 0.46 0.66 1 12 ASP -0.42 0.25 1 13 LYS 3.25 2.64 1 14 LEU 4.22 2.31 1 15 GLN 3.23 2.58 1 16 VAL 6.48 3.77 1 17 ILE 6.18 4.47 1 18 ASP 4.97 3.74 1 19 TRP 5.13 4.44 1 20 LEU 5.32 3.37 1 21 ILE 3.57 3.43 1 22 GLU 1.93 1.87 1 23 ASN 2.28 2.76 1 26 ASN -0.49 -0.29 1 28 PHE -2.97 -1.08 1 30 LYS -0.36 0.79 1 33 ASN 2.63 0.96 1 34 GLN -1.53 -0.48 1 35 VAL 3.15 3.02 1 36 LYS -3.52 -0.78 1 38 LEU -3.94 -1.76 1 39 LYS -0.90 0.24 1 42 ILE 3.12 2.23 1 43 PHE 4.68 4.14 1 44 ASP 4.39 3.19 1 45 ASP 3.57 2.63 1 46 LEU 2.59 2.50 1 48 ASP 3.40 3.45 1 49 PHE 4.03 4.03 1 50 TYR 2.33 3.28 1 51 GLU 2.02 1.65 1 52 ARG 0.66 0.19 1 53 LEU -0.06 -0.73 1 54 ASP 1.85 1.86 1 55 THR -0.98 -1.01 1 59 SER 0.37 -0.76 1 60 LYS 5.26 4.59 1 61 LYS 4.17 3.44 1 63 LEU 4.29 3.09 1 64 ARG 4.22 3.54 1 65 GLU 2.74 2.59 1 66 ALA 2.72 2.87 1 67 LEU 3.52 2.56 1 69 TYR 4.08 3.61 1 70 TYR 3.56 4.10 1 71 SER 1.41 0.39 1 72 ALA -2.52 -1.93 1 73 SER 1.04 0.50 1 75 ALA 1.99 2.21 1 76 TYR 3.35 3.40 1 77 LEU 3.02 2.90 1 78 SER 3.09 2.34 1 80 GLN 0.55 -0.42 1 81 LYS -0.08 -0.86 1 83 ASP 4.52 2.75 1 84 THR 2.34 1.92 1 85 ALA 0.94 0.70 1 86 ARG -3.41 -2.06 1 87 VAL -6.37 -4.00 1 88 ASP -2.57 -2.52 1 89 ILE 7.23 4.19 1 90 TYR 0.05 -0.28 1 92 ASN 0.89 0.25 1 93 GLU 1.80 0.25 1 94 VAL -2.35 -1.31 1 95 ASP -3.82 -1.55 1 97 VAL 1.39 -0.23 1 98 THR 2.75 0.98 1 100 GLU 4.25 3.65 1 101 GLN 3.19 1.87 1 102 ALA 2.84 2.35 1 103 LYS 4.39 3.37 1 104 TYR 3.63 2.87 1 105 ALA 4.00 3.09 1 106 TYR 4.04 3.26 1 107 GLN 4.82 3.47 1 108 ARG 3.32 2.58 1 109 TYR 5.36 4.34 1 110 GLN 3.88 2.89 1 111 GLU 2.09 2.12 1 112 ARG 1.29 1.38 1 113 TYR -0.90 -0.92 1 115 ASN 0.35 0.06 1 116 LYS 0.61 0.13 1 117 LYS 0.34 0.14 1 118 SER 0.38 0.40 1 119 GLN 0.49 0.34 1 120 ASP 0.19 0.21 1 121 LEU 0.26 0.08 1 122 LYS 0.70 1.27 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27453_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.37 _LACS_plot.Line_1_terminator_val_y_1 3.64 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.18 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.47 _LACS_plot.Line_2_terminator_val_x_2 7.23 _LACS_plot.Line_2_terminator_val_y_2 -1.59 _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 40 ILE 3.92 -3.50 0 96 VAL -6.04 3.91 0 27 ALA -3.30 3.81 0 29 PHE -4.72 4.15 0 47 ILE 4.49 -3.94 0 10 LYS 0.85 -0.24 1 11 LYS 0.46 0.20 1 12 ASP -0.42 0.67 1 13 LYS 3.25 -0.61 1 14 LEU 4.22 -1.91 1 15 GLN 3.23 -0.65 1 16 VAL 6.48 -2.71 1 17 ILE 6.18 -1.71 1 18 ASP 4.97 -1.23 1 19 TRP 5.13 -0.69 1 20 LEU 5.32 -1.95 1 21 ILE 3.57 -0.14 1 22 GLU 1.93 -0.06 1 23 ASN 2.28 0.48 1 26 ASN -0.49 0.20 1 28 PHE -2.97 1.89 1 30 LYS -0.36 1.15 1 33 ASN 2.63 -1.67 1 34 GLN -1.53 1.05 1 35 VAL 3.15 -0.13 1 36 LYS -3.52 2.74 1 38 LEU -3.94 2.18 1 39 LYS -0.90 1.14 1 42 ILE 3.12 -0.89 1 43 PHE 4.68 -0.54 1 44 ASP 4.39 -1.20 1 45 ASP 3.57 -0.94 1 46 LEU 2.59 -0.09 1 48 ASP 3.40 0.05 1 49 PHE 4.03 0.00 1 50 TYR 2.33 0.95 1 51 GLU 2.02 -0.37 1 52 ARG 0.66 -0.47 1 53 LEU -0.06 -0.67 1 54 ASP 1.85 0.01 1 55 THR -0.98 -0.03 1 59 SER 0.37 -1.13 1 60 LYS 5.26 -0.67 1 61 LYS 4.17 -0.73 1 63 LEU 4.29 -1.20 1 64 ARG 4.22 -0.68 1 65 GLU 2.74 -0.15 1 66 ALA 2.72 0.15 1 67 LEU 3.52 -0.96 1 69 TYR 4.08 -0.47 1 70 TYR 3.56 0.54 1 71 SER 1.41 -1.02 1 72 ALA -2.52 0.59 1 73 SER 1.04 -0.54 1 75 ALA 1.99 0.22 1 76 TYR 3.35 0.05 1 77 LEU 3.02 -0.12 1 78 SER 3.09 -0.75 1 80 GLN 0.55 -0.97 1 81 LYS -0.08 -0.78 1 83 ASP 4.52 -1.77 1 84 THR 2.34 -0.42 1 85 ALA 0.94 -0.24 1 86 ARG -3.41 1.35 1 87 VAL -6.37 2.37 1 88 ASP -2.57 0.05 1 89 ILE 7.23 -3.04 1 90 TYR 0.05 -0.33 1 92 ASN 0.89 -0.64 1 93 GLU 1.80 -1.55 1 94 VAL -2.35 1.04 1 95 ASP -3.82 2.27 1 97 VAL 1.39 -1.62 1 98 THR 2.75 -1.77 1 100 GLU 4.25 -0.60 1 101 GLN 3.19 -1.32 1 102 ALA 2.84 -0.49 1 103 LYS 4.39 -1.02 1 104 TYR 3.63 -0.76 1 105 ALA 4.00 -0.91 1 106 TYR 4.04 -0.78 1 107 GLN 4.82 -1.35 1 108 ARG 3.32 -0.74 1 109 TYR 5.36 -1.02 1 110 GLN 3.88 -0.99 1 111 GLU 2.09 0.03 1 112 ARG 1.29 0.09 1 113 TYR -0.90 -0.02 1 115 ASN 0.35 -0.29 1 116 LYS 0.61 -0.48 1 117 LYS 0.34 -0.20 1 118 SER 0.38 0.02 1 119 GLN 0.49 -0.15 1 120 ASP 0.19 0.02 1 121 LEU 0.26 -0.18 1 122 LYS 0.70 0.57 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27453_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.37 _LACS_plot.Line_1_terminator_val_y_1 0.48 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.23 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.09 _LACS_plot.Line_2_terminator_val_x_2 7.23 _LACS_plot.Line_2_terminator_val_y_2 -0.67 _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 87 VAL -6.37 1.58 0 10 LYS 0.85 -0.06 1 11 LYS 0.46 -0.03 1 12 ASP -0.42 -0.10 1 13 LYS 3.25 -0.01 1 14 LEU 4.22 -0.28 1 15 GLN 3.23 -0.06 1 16 VAL 6.48 -0.85 1 17 ILE 6.18 -0.55 1 18 ASP 4.97 -0.18 1 19 TRP 5.13 -0.44 1 20 LEU 5.32 -0.64 1 21 ILE 3.57 -0.72 1 22 GLU 1.93 -0.54 1 23 ASN 2.28 -0.96 1 26 ASN -0.49 0.21 1 27 ALA -3.30 0.13 1 28 PHE -2.97 0.00 1 29 PHE -4.72 0.04 1 30 LYS -0.36 0.00 1 33 ASN 2.63 -0.31 1 34 GLN -1.53 -0.31 1 35 VAL 3.15 -0.70 1 38 LEU -3.94 0.66 1 39 LYS -0.90 -0.51 1 40 ILE 3.92 -0.14 1 42 ILE 3.12 -0.12 1 43 PHE 4.68 -0.58 1 44 ASP 4.39 -0.49 1 45 ASP 3.57 -0.21 1 46 LEU 2.59 -0.34 1 47 ILE 4.49 -0.43 1 48 ASP 3.40 -0.25 1 49 PHE 4.03 -0.49 1 50 TYR 2.33 -0.58 1 51 GLU 2.02 -0.24 1 52 ARG 0.66 -0.10 1 53 LEU -0.06 -0.22 1 54 ASP 1.85 -0.29 1 55 THR -0.98 -0.31 1 59 SER 0.37 -0.01 1 60 LYS 5.26 -0.79 1 61 LYS 4.17 -0.33 1 63 LEU 4.29 -0.43 1 64 ARG 4.22 -0.67 1 65 GLU 2.74 -0.35 1 66 ALA 2.72 -0.30 1 67 LEU 3.52 -0.30 1 69 TYR 4.08 -0.34 1 70 TYR 3.56 -0.52 1 71 SER 1.41 -0.73 1 72 ALA -2.52 0.30 1 73 SER 1.04 -0.35 1 75 ALA 1.99 -0.37 1 76 TYR 3.35 -0.53 1 77 LEU 3.02 -0.28 1 78 SER 3.09 -0.50 1 80 GLN 0.55 -0.32 1 81 LYS -0.08 -0.03 1 83 ASP 4.52 -0.50 1 84 THR 2.34 -0.19 1 85 ALA 0.94 0.26 1 86 ARG -3.41 0.28 1 88 ASP -2.57 -0.24 1 89 ILE 7.23 -0.76 1 90 TYR 0.05 0.14 1 92 ASN 0.89 -0.17 1 93 GLU 1.80 0.06 1 94 VAL -2.35 0.53 1 95 ASP -3.82 0.29 1 96 VAL -6.04 1.02 1 97 VAL 1.39 0.22 1 100 GLU 4.25 -0.34 1 101 GLN 3.19 -0.20 1 102 ALA 2.84 -0.13 1 103 LYS 4.39 -0.18 1 104 TYR 3.63 -0.13 1 105 ALA 4.00 -0.23 1 106 TYR 4.04 -0.24 1 107 GLN 4.82 -0.38 1 108 ARG 3.32 -0.33 1 109 TYR 5.36 -0.69 1 110 GLN 3.88 -0.60 1 111 GLU 2.09 -0.45 1 112 ARG 1.29 -0.38 1 113 TYR -0.90 0.16 1 115 ASN 0.35 -0.03 1 116 LYS 0.61 0.01 1 117 LYS 0.34 0.01 1 118 SER 0.38 -0.09 1 119 GLN 0.49 -0.03 1 120 ASP 0.19 -0.04 1 121 LEU 0.26 0.01 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27453_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.37 _LACS_plot.Line_1_terminator_val_y_1 -2.18 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.96 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.65 _LACS_plot.Line_2_terminator_val_x_2 7.23 _LACS_plot.Line_2_terminator_val_y_2 2.87 _LACS_plot.Y_axis_chem_shift_offset -0.16 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 89 ILE 7.23 -1.86 0 10 LYS 0.85 0.06 1 11 LYS 0.46 0.03 1 12 ASP -0.42 0.89 1 13 LYS 3.25 0.96 1 14 LEU 4.22 2.07 1 15 GLN 3.23 3.38 1 16 VAL 6.48 1.61 1 17 ILE 6.18 0.79 1 18 ASP 4.97 2.30 1 19 TRP 5.13 3.25 1 20 LEU 5.32 0.10 1 21 ILE 3.57 0.63 1 22 GLU 1.93 1.73 1 23 ASN 2.28 -1.33 1 26 ASN -0.49 -1.49 1 27 ALA -3.30 -4.55 1 28 PHE -2.97 -2.49 1 29 PHE -4.72 -1.38 1 30 LYS -0.36 0.55 1 33 ASN 2.63 0.20 1 34 GLN -1.53 -1.82 1 35 VAL 3.15 -1.66 1 36 LYS -3.52 -0.98 1 38 LEU -3.94 0.45 1 39 LYS -0.90 -0.56 1 40 ILE 3.92 1.91 1 42 ILE 3.12 -0.61 1 43 PHE 4.68 0.35 1 44 ASP 4.39 2.40 1 45 ASP 3.57 3.15 1 46 LEU 2.59 1.19 1 47 ILE 4.49 1.09 1 48 ASP 3.40 1.69 1 49 PHE 4.03 2.09 1 50 TYR 2.33 2.18 1 51 GLU 2.02 0.53 1 52 ARG 0.66 0.53 1 53 LEU -0.06 -0.47 1 54 ASP 1.85 0.32 1 55 THR -0.98 -1.63 1 60 LYS 5.26 2.32 1 61 LYS 4.17 2.05 1 63 LEU 4.29 -0.38 1 64 ARG 4.22 3.20 1 65 GLU 2.74 2.99 1 66 ALA 2.72 1.34 1 67 LEU 3.52 2.53 1 69 TYR 4.08 2.93 1 70 TYR 3.56 1.76 1 71 SER 1.41 -2.07 1 72 ALA -2.52 -0.72 1 73 SER 1.04 -1.27 1 75 ALA 1.99 1.92 1 76 TYR 3.35 3.57 1 77 LEU 3.02 1.81 1 78 SER 3.09 0.62 1 80 GLN 0.55 -2.66 1 81 LYS -0.08 0.14 1 83 ASP 4.52 -1.11 1 84 THR 2.34 -1.19 1 85 ALA 0.94 -0.42 1 86 ARG -3.41 0.66 1 87 VAL -6.37 -0.35 1 88 ASP -2.57 0.98 1 90 TYR 0.05 0.97 1 92 ASN 0.89 0.21 1 93 GLU 1.80 0.85 1 94 VAL -2.35 -1.91 1 95 ASP -3.82 -0.89 1 96 VAL -6.04 -1.38 1 97 VAL 1.39 0.57 1 98 THR 2.75 5.69 1 100 GLU 4.25 2.75 1 101 GLN 3.19 4.23 1 102 ALA 2.84 2.26 1 103 LYS 4.39 2.32 1 104 TYR 3.63 2.03 1 105 ALA 4.00 1.17 1 106 TYR 4.04 2.23 1 107 GLN 4.82 3.16 1 108 ARG 3.32 2.29 1 109 TYR 5.36 1.90 1 110 GLN 3.88 2.59 1 111 GLU 2.09 1.16 1 112 ARG 1.29 0.96 1 113 TYR -0.90 0.59 1 115 ASN 0.35 0.31 1 116 LYS 0.61 0.07 1 117 LYS 0.34 0.35 1 118 SER 0.38 2.31 1 119 GLN 0.49 -0.44 1 120 ASP 0.19 -0.46 1 121 LEU 0.26 -1.35 1 122 LYS 0.70 4.68 1 stop_ save_