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 bmr26818_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -2.69 _LACS_plot.Line_1_terminator_val_y_1 -3.76 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -2.55 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -3.76 _LACS_plot.Line_2_terminator_val_x_2 9.71 _LACS_plot.Line_2_terminator_val_y_2 4.14 _LACS_plot.Y_axis_chem_shift_offset 2.74 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 80 LYS -0.79 2.00 0 10 SER -2.47 -3.88 1 11 ALA 4.07 0.62 1 12 GLN 4.78 0.65 1 13 GLU 2.71 0.01 1 14 LEU 1.41 -0.27 1 15 LYS 6.26 0.86 1 16 GLU 3.66 0.00 1 17 GLN 4.66 0.60 1 19 ASN 4.18 0.17 1 20 ARG 4.52 1.06 1 21 LEU 3.61 -0.04 1 22 PHE 4.92 2.48 1 23 VAL 5.08 1.16 1 25 ARG 5.18 -2.14 1 26 LYS 0.80 -5.69 1 27 TYR 9.71 4.24 1 29 GLU 5.31 1.21 1 30 ALA 4.16 0.68 1 31 ALA 5.27 0.62 1 32 ALA 3.69 -0.45 1 34 TYR 4.31 0.08 1 36 ARG 3.52 0.74 1 37 ALA 6.47 0.56 1 38 ILE 4.22 1.13 1 39 THR 5.27 1.59 1 40 ARG 2.31 -1.17 1 41 ASN -0.88 -2.81 1 43 LEU 0.78 -3.47 1 44 VAL 0.75 -2.88 1 45 ALA 3.23 0.97 1 46 VAL 3.55 -0.44 1 47 TYR 2.45 -2.39 1 48 TYR 4.43 1.12 1 49 THR 7.00 1.81 1 50 ASN 5.71 -0.69 1 51 ARG 6.57 3.14 1 52 ALA 2.88 0.77 1 53 LEU 4.28 -0.45 1 55 TYR 4.31 -0.53 1 56 LEU 4.57 0.95 1 57 LYS 3.70 -1.91 1 58 MET -1.17 -2.22 1 59 GLN 5.50 -1.13 1 60 GLN 0.58 -5.24 1 61 HIS 5.71 4.49 1 62 GLU 5.15 1.18 1 63 GLN 6.22 0.63 1 64 ALA 3.57 0.59 1 65 LEU 3.85 1.06 1 66 ALA 3.83 -0.09 1 67 ASP 4.20 0.96 1 69 ARG 5.19 0.99 1 70 ARG 3.81 -0.78 1 71 ALA 3.36 0.59 1 72 LEU 1.72 -1.51 1 73 GLU 2.10 -0.79 1 74 LEU -0.39 -1.83 1 75 ASP -0.94 -3.90 1 77 GLN -1.39 -4.71 1 78 SER 1.27 -3.02 1 81 ALA -0.39 -3.00 1 82 HIS 3.86 0.40 1 83 PHE 2.25 -0.73 1 84 PHE 3.45 -1.96 1 85 LEU 4.00 0.92 1 87 GLN 4.00 0.89 1 89 GLN 5.94 0.76 1 90 LEU 4.25 0.74 1 91 GLU 3.71 -0.32 1 92 MET 0.55 -1.27 1 93 GLU 5.01 -1.88 1 94 SER -1.33 -6.45 1 95 TYR 4.73 1.84 1 96 ASP 5.42 1.48 1 97 GLU 2.83 0.08 1 98 ALA 3.06 0.24 1 99 ILE 4.97 2.10 1 100 ALA 4.23 0.17 1 101 ASN 4.82 1.83 1 102 LEU 3.11 0.33 1 103 GLN 4.98 0.80 1 104 ARG 4.46 -0.02 1 105 ALA 4.80 0.47 1 106 TYR 3.20 -0.29 1 107 SER 4.67 0.93 1 108 LEU 2.14 -0.11 1 109 ALA 5.19 0.50 1 110 LYS 4.16 0.04 1 111 GLU 3.18 -0.03 1 112 GLN 0.41 -2.48 1 114 LEU -2.69 -3.85 1 116 PHE -0.67 -3.51 1 122 SER -0.60 -2.99 1 123 ALA 1.49 -1.65 1 124 LEU 2.99 0.29 1 125 ARG 4.68 1.36 1 126 ILE 4.53 0.92 1 127 ALA 2.89 0.41 1 128 LYS 4.46 1.26 1 129 LYS 3.82 0.02 1 130 LYS 4.01 -0.02 1 131 ARG 3.36 -0.21 1 132 TRP 2.55 -0.78 1 133 ASN 2.18 -0.82 1 134 SER 1.86 -1.10 1 135 ILE 1.90 -1.20 1 136 GLU 0.69 -1.99 1 137 GLU 0.42 -2.44 1 138 ARG -2.07 -2.70 1 139 ARG 1.19 -1.03 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26818_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -2.69 _LACS_plot.Line_1_terminator_val_y_1 -1.07 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -4.55 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.76 _LACS_plot.Line_2_terminator_val_x_2 9.71 _LACS_plot.Line_2_terminator_val_y_2 -5.57 _LACS_plot.Y_axis_chem_shift_offset 2.74 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 80 LYS -0.79 2.79 0 10 SER -2.47 -1.41 1 11 ALA 4.07 -3.45 1 12 GLN 4.78 -4.13 1 13 GLU 2.71 -2.70 1 14 LEU 1.41 -1.68 1 15 LYS 6.26 -5.40 1 16 GLU 3.66 -3.66 1 17 GLN 4.66 -4.06 1 19 ASN 4.18 -4.01 1 20 ARG 4.52 -3.46 1 21 LEU 3.61 -3.65 1 22 PHE 4.92 -2.44 1 23 VAL 5.08 -3.92 1 25 ARG 5.18 -7.32 1 26 LYS 0.80 -6.49 1 27 TYR 9.71 -5.47 1 29 GLU 5.31 -4.10 1 30 ALA 4.16 -3.48 1 31 ALA 5.27 -4.65 1 32 ALA 3.69 -4.14 1 34 TYR 4.31 -4.23 1 36 ARG 3.52 -2.78 1 37 ALA 6.47 -5.91 1 38 ILE 4.22 -3.09 1 39 THR 5.27 -3.68 1 40 ARG 2.31 -3.48 1 41 ASN -0.88 -1.93 1 43 LEU 0.78 -4.25 1 44 VAL 0.75 -3.63 1 45 ALA 3.23 -2.26 1 46 VAL 3.55 -3.99 1 47 TYR 2.45 -4.84 1 48 TYR 4.43 -3.31 1 49 THR 7.00 -5.19 1 50 ASN 5.71 -6.40 1 51 ARG 6.57 -3.43 1 52 ALA 2.88 -2.11 1 53 LEU 4.28 -4.73 1 55 TYR 4.31 -4.84 1 56 LEU 4.57 -3.62 1 57 LYS 3.70 -5.61 1 58 MET -1.17 -1.05 1 59 GLN 5.50 -6.63 1 60 GLN 0.58 -5.82 1 61 HIS 5.71 -1.22 1 62 GLU 5.15 -3.97 1 63 GLN 6.22 -5.59 1 64 ALA 3.57 -2.98 1 65 LEU 3.85 -2.79 1 66 ALA 3.83 -3.92 1 67 ASP 4.20 -3.24 1 69 ARG 5.19 -4.20 1 70 ARG 3.81 -4.59 1 71 ALA 3.36 -2.77 1 72 LEU 1.72 -3.23 1 73 GLU 2.10 -2.89 1 74 LEU -0.39 -1.44 1 75 ASP -0.94 -2.96 1 77 GLN -1.39 -3.32 1 78 SER 1.27 -4.29 1 81 ALA -0.39 -2.61 1 82 HIS 3.86 -3.46 1 83 PHE 2.25 -2.98 1 84 PHE 3.45 -5.41 1 85 LEU 4.00 -3.08 1 87 GLN 4.00 -3.11 1 89 GLN 5.94 -5.18 1 90 LEU 4.25 -3.51 1 91 GLU 3.71 -4.03 1 92 MET 0.55 -1.82 1 93 GLU 5.01 -6.89 1 94 SER -1.33 -5.12 1 95 TYR 4.73 -2.89 1 96 ASP 5.42 -3.94 1 97 GLU 2.83 -2.75 1 98 ALA 3.06 -2.82 1 99 ILE 4.97 -2.87 1 100 ALA 4.23 -4.06 1 101 ASN 4.82 -2.99 1 102 LEU 3.11 -2.78 1 103 GLN 4.98 -4.18 1 104 ARG 4.46 -4.48 1 105 ALA 4.80 -4.33 1 106 TYR 3.20 -3.49 1 107 SER 4.67 -3.74 1 108 LEU 2.14 -2.25 1 109 ALA 5.19 -4.69 1 110 LYS 4.16 -4.12 1 111 GLU 3.18 -3.21 1 112 GLN 0.41 -2.89 1 114 LEU -2.69 -1.16 1 116 PHE -0.67 -2.84 1 122 SER -0.60 -2.39 1 123 ALA 1.49 -3.14 1 124 LEU 2.99 -2.70 1 125 ARG 4.68 -3.32 1 126 ILE 4.53 -3.61 1 127 ALA 2.89 -2.48 1 128 LYS 4.46 -3.20 1 129 LYS 3.82 -3.80 1 130 LYS 4.01 -4.03 1 131 ARG 3.36 -3.57 1 132 TRP 2.55 -3.33 1 133 ASN 2.18 -3.00 1 134 SER 1.86 -2.96 1 135 ILE 1.90 -3.10 1 136 GLU 0.69 -2.68 1 137 GLU 0.42 -2.86 1 138 ARG -2.07 -0.63 1 139 ARG 1.19 -2.22 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26818_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -2.69 _LACS_plot.Line_1_terminator_val_y_1 0.01 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.33 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.04 _LACS_plot.Line_2_terminator_val_x_2 7.00 _LACS_plot.Line_2_terminator_val_y_2 -0.70 _LACS_plot.Y_axis_chem_shift_offset 0.19 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 93 GLU 5.01 -1.63 0 25 ARG 5.18 -1.71 0 10 SER -2.47 -0.14 1 11 ALA 4.07 -0.49 1 12 GLN 4.78 -0.36 1 13 GLU 2.71 -0.24 1 14 LEU 1.41 -0.36 1 15 LYS 6.26 -0.63 1 16 GLU 3.66 -0.22 1 17 GLN 4.66 -0.48 1 19 ASN 4.18 -0.29 1 20 ARG 4.52 -0.40 1 21 LEU 3.61 -0.43 1 22 PHE 4.92 -1.03 1 23 VAL 5.08 -0.52 1 26 LYS 0.80 0.01 1 29 GLU 5.31 -0.50 1 30 ALA 4.16 -0.51 1 31 ALA 5.27 -0.45 1 32 ALA 3.69 -0.28 1 34 TYR 4.31 -0.55 1 36 ARG 3.52 -0.35 1 37 ALA 6.47 -0.76 1 38 ILE 4.22 -0.66 1 39 THR 5.27 -0.56 1 40 ARG 2.31 -0.27 1 41 ASN -0.88 -0.08 1 43 LEU 0.78 0.28 1 44 VAL 0.75 -0.18 1 45 ALA 3.23 -0.36 1 46 VAL 3.55 -0.19 1 47 TYR 2.45 -0.45 1 48 TYR 4.43 -0.66 1 49 THR 7.00 -0.74 1 50 ASN 5.71 -0.84 1 51 ARG 6.57 -0.72 1 52 ALA 2.88 -0.28 1 53 LEU 4.28 -0.83 1 55 TYR 4.31 -0.22 1 56 LEU 4.57 -0.74 1 57 LYS 3.70 -0.53 1 58 MET -1.17 -0.26 1 59 GLN 5.50 -1.15 1 60 GLN 0.58 0.16 1 61 HIS 5.71 -1.01 1 62 GLU 5.15 -0.60 1 63 GLN 6.22 -0.62 1 64 ALA 3.57 -0.21 1 65 LEU 3.85 -0.63 1 66 ALA 3.83 -0.43 1 67 ASP 4.20 0.03 1 69 ARG 5.19 -0.65 1 70 ARG 3.81 -0.59 1 71 ALA 3.36 -0.67 1 72 LEU 1.72 -0.46 1 73 GLU 2.10 -0.53 1 74 LEU -0.39 -0.23 1 75 ASP -0.94 -0.10 1 77 GLN -1.39 0.01 1 78 SER 1.27 -0.21 1 80 LYS -0.79 -0.26 1 81 ALA -0.39 -0.16 1 82 HIS 3.86 -0.40 1 83 PHE 2.25 -0.52 1 84 PHE 3.45 -0.49 1 85 LEU 4.00 -0.39 1 87 GLN 4.00 -0.45 1 89 GLN 5.94 -0.73 1 90 LEU 4.25 -0.74 1 91 GLU 3.71 -0.54 1 92 MET 0.55 -0.43 1 94 SER -1.33 0.07 1 95 TYR 4.73 -0.75 1 96 ASP 5.42 -0.36 1 97 GLU 2.83 -0.46 1 98 ALA 3.06 -0.05 1 99 ILE 4.97 -0.87 1 100 ALA 4.23 -0.24 1 101 ASN 4.82 -0.03 1 102 LEU 3.11 -0.28 1 103 GLN 4.98 -0.38 1 104 ARG 4.46 -0.37 1 105 ALA 4.80 -0.61 1 106 TYR 3.20 -0.56 1 107 SER 4.67 -0.41 1 108 LEU 2.14 -0.43 1 109 ALA 5.19 -0.66 1 110 LYS 4.16 -0.39 1 111 GLU 3.18 -0.45 1 112 GLN 0.41 -0.34 1 114 LEU -2.69 -0.03 1 116 PHE -0.67 -0.07 1 122 SER -0.60 -0.14 1 123 ALA 1.49 -0.18 1 124 LEU 2.99 -0.51 1 125 ARG 4.68 -0.48 1 126 ILE 4.53 -0.54 1 127 ALA 2.89 -0.49 1 128 LYS 4.46 -0.56 1 129 LYS 3.82 -0.11 1 130 LYS 4.01 -0.56 1 132 TRP 2.55 -0.32 1 133 ASN 2.18 -0.39 1 134 SER 1.86 -0.22 1 135 ILE 1.90 -0.27 1 136 GLU 0.69 -0.40 1 137 GLU 0.42 -0.26 1 138 ARG -2.07 -0.11 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26818_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -2.47 _LACS_plot.Line_1_terminator_val_y_1 -4.18 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.78 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -3.65 _LACS_plot.Line_2_terminator_val_x_2 9.71 _LACS_plot.Line_2_terminator_val_y_2 1.78 _LACS_plot.Y_axis_chem_shift_offset 2.79 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 41 ASN -0.88 2.19 0 27 TYR 9.71 -3.06 0 10 SER -2.47 -2.79 1 11 ALA 4.07 -1.89 1 12 GLN 4.78 -0.37 1 13 GLU 2.71 0.60 1 14 LEU 1.41 -1.60 1 15 LYS 6.26 -1.10 1 16 GLU 3.66 0.04 1 17 GLN 4.66 0.22 1 19 ASN 4.18 -0.41 1 20 ARG 4.52 1.28 1 21 LEU 3.61 -2.41 1 22 PHE 4.92 1.77 1 23 VAL 5.08 -1.43 1 25 ARG 5.18 -4.23 1 26 LYS 0.80 -3.11 1 29 GLU 5.31 0.51 1 30 ALA 4.16 -2.17 1 31 ALA 5.27 -0.26 1 32 ALA 3.69 0.31 1 34 TYR 4.31 -0.37 1 36 ARG 3.52 -0.02 1 37 ALA 6.47 -2.38 1 38 ILE 4.22 -2.20 1 39 THR 5.27 -0.95 1 40 ARG 2.31 -1.95 1 43 LEU 0.78 -4.34 1 44 VAL 0.75 -3.01 1 45 ALA 3.23 -0.70 1 46 VAL 3.55 -2.54 1 47 TYR 2.45 -0.80 1 48 TYR 4.43 -0.25 1 49 THR 7.00 -1.83 1 50 ASN 5.71 -0.05 1 51 ARG 6.57 -1.22 1 52 ALA 2.88 -0.92 1 53 LEU 4.28 -1.18 1 55 TYR 4.31 0.48 1 56 LEU 4.57 0.72 1 57 LYS 3.70 -0.91 1 58 MET -1.17 -4.66 1 59 GLN 5.50 -4.30 1 60 GLN 0.58 -2.25 1 61 HIS 5.71 0.06 1 62 GLU 5.15 0.28 1 63 GLN 6.22 -0.17 1 64 ALA 3.57 -1.36 1 65 LEU 3.85 -1.60 1 66 ALA 3.83 0.57 1 67 ASP 4.20 0.01 1 69 ARG 5.19 0.14 1 70 ARG 3.81 -0.75 1 71 ALA 3.36 -1.17 1 72 LEU 1.72 -1.23 1 73 GLU 2.10 -0.78 1 74 LEU -0.39 -2.79 1 75 ASP -0.94 -3.71 1 77 GLN -1.39 -3.64 1 80 LYS -0.79 -3.66 1 81 ALA -0.39 -4.95 1 82 HIS 3.86 -3.66 1 84 PHE 3.45 -0.67 1 85 LEU 4.00 -1.90 1 87 GLN 4.00 -0.18 1 89 GLN 5.94 -0.49 1 90 LEU 4.25 0.18 1 91 GLU 3.71 -1.46 1 92 MET 0.55 -4.58 1 93 GLU 5.01 -4.79 1 94 SER -1.33 -1.60 1 95 TYR 4.73 -1.52 1 96 ASP 5.42 0.78 1 97 GLU 2.83 -1.66 1 98 ALA 3.06 -0.43 1 99 ILE 4.97 -1.97 1 100 ALA 4.23 1.10 1 101 ASN 4.82 -0.23 1 102 LEU 3.11 -1.54 1 103 GLN 4.98 0.41 1 104 ARG 4.46 -1.18 1 105 ALA 4.80 -2.49 1 106 TYR 3.20 -1.32 1 107 SER 4.67 0.43 1 108 LEU 2.14 -2.13 1 109 ALA 5.19 -0.54 1 110 LYS 4.16 1.24 1 111 GLU 3.18 -0.68 1 112 GLN 0.41 -3.92 1 116 PHE -0.67 -2.62 1 122 SER -0.60 -2.84 1 123 ALA 1.49 -0.90 1 124 LEU 2.99 -2.42 1 125 ARG 4.68 0.92 1 126 ILE 4.53 -1.29 1 127 ALA 2.89 -1.39 1 128 LYS 4.46 -0.24 1 129 LYS 3.82 -0.75 1 130 LYS 4.01 -0.50 1 131 ARG 3.36 -1.25 1 132 TRP 2.55 -1.45 1 133 ASN 2.18 -1.78 1 134 SER 1.86 -2.02 1 135 ILE 1.90 -1.89 1 136 GLU 0.69 -2.24 1 137 GLU 0.42 -2.97 1 138 ARG -2.07 -3.65 1 139 ARG 1.19 2.10 1 stop_ save_