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 bmr4668_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.61 _LACS_plot.Line_1_terminator_val_y_1 -2.36 _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 -1.66 _LACS_plot.Line_2_terminator_val_x_2 5.54 _LACS_plot.Line_2_terminator_val_y_2 4.21 _LACS_plot.Y_axis_chem_shift_offset 0.10 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 146 ILE 2.84 -0.37 0 126 GLU -5.99 -0.55 0 13 ILE -2.31 1.84 0 133 HIS 1.65 4.00 0 10 VAL -6.03 -3.40 1 11 ASP -5.55 -1.60 1 12 TYR -6.61 -1.95 1 15 LYS -5.96 -1.72 1 16 LEU -1.90 -1.14 1 17 GLU 3.62 3.43 1 18 SER 0.61 0.48 1 20 ASP 0.24 0.55 1 21 VAL 0.64 0.44 1 22 PHE -2.85 -1.51 1 23 ASP -2.91 0.35 1 24 THR -0.80 -2.14 1 25 SER 0.61 0.85 1 26 ILE -0.09 0.20 1 27 GLU 3.89 4.07 1 28 GLU 3.97 3.50 1 29 VAL 4.19 2.70 1 30 ALA 3.58 2.43 1 31 LYS 4.36 3.90 1 32 GLU 3.04 2.69 1 33 ALA -1.31 -0.31 1 35 ILE -0.71 -0.83 1 36 TYR 1.11 1.13 1 37 ALA -4.78 -2.28 1 39 ASP 0.23 -0.88 1 40 ARG -1.99 -1.16 1 41 GLU -1.37 -1.22 1 42 TYR 3.52 2.09 1 43 GLU -2.65 -1.09 1 45 LEU -1.99 -0.14 1 46 GLU -5.50 -2.37 1 47 PHE -2.45 -1.67 1 48 VAL 0.27 -0.92 1 49 VAL 5.24 3.84 1 51 GLU 0.36 0.40 1 53 GLN 2.03 1.68 1 54 LEU -3.57 -2.73 1 55 ILE 2.12 1.33 1 56 GLN 4.51 3.92 1 58 PHE 1.33 2.11 1 59 GLU 5.54 4.61 1 60 GLU 1.29 1.62 1 61 ALA 1.89 1.99 1 62 VAL 1.43 0.08 1 63 LEU 2.91 1.64 1 64 ASP 1.81 0.64 1 65 MET -2.12 1.22 1 66 GLU -5.30 -3.08 1 67 VAL 5.31 3.78 1 69 ASP -0.96 0.64 1 70 GLU -6.59 -2.33 1 71 LYS -5.07 -0.65 1 72 THR -0.21 0.24 1 73 VAL -6.11 -3.16 1 74 LYS -0.31 -0.62 1 75 ILE -2.38 -0.83 1 77 ALA 4.48 3.69 1 78 GLU 3.81 3.11 1 79 LYS -1.77 -0.98 1 80 ALA -1.42 -1.84 1 81 TYR 4.02 2.10 1 83 ASN -0.90 -0.08 1 84 ARG 2.09 1.91 1 85 ASN -2.37 -1.50 1 86 GLU 3.11 1.87 1 87 MET 2.26 0.80 1 88 LEU 0.26 -0.96 1 89 ILE -0.57 -0.68 1 90 GLN -5.44 -1.27 1 91 LYS -1.60 -0.71 1 92 ILE -3.31 -1.19 1 94 ARG 3.69 2.68 1 95 ASP 2.82 1.92 1 96 ALA 2.37 1.71 1 97 PHE 1.43 0.48 1 98 LYS 3.43 3.00 1 99 GLU 0.20 -0.33 1 100 ALA -0.73 -0.26 1 101 ASP 1.00 0.16 1 102 PHE -3.46 -2.16 1 103 GLU -3.00 -1.82 1 105 GLU -6.16 -2.05 1 106 GLU 2.60 1.91 1 108 MET -1.05 1.38 1 109 VAL -0.31 -0.55 1 110 ILE -5.96 -2.84 1 111 LEU -2.14 -1.31 1 112 ALA -2.03 -1.40 1 113 GLU 2.67 0.30 1 115 ILE -2.26 -0.77 1 117 ALA -5.15 -1.89 1 118 THR -0.65 -0.13 1 119 ILE 2.77 0.69 1 120 THR 1.07 0.16 1 121 GLU -2.83 0.27 1 122 VAL -1.22 0.40 1 123 THR -4.49 -2.54 1 124 ASP 3.63 2.99 1 125 ASN -1.83 0.65 1 127 VAL -3.48 -1.28 1 128 THR 1.71 1.06 1 129 LEU -4.59 -1.91 1 130 ASP -4.04 -1.51 1 131 PHE 1.62 1.19 1 132 ASN 1.40 2.34 1 134 GLU 3.28 2.87 1 135 LEU -0.14 -1.40 1 136 ALA 1.76 1.30 1 138 LYS -1.54 -0.91 1 139 ASP -0.13 -0.49 1 140 LEU -5.68 -1.68 1 141 VAL -1.04 -0.48 1 142 PHE -5.40 -1.47 1 143 THR -0.15 0.80 1 144 ILE -4.09 -0.22 1 145 LYS -5.60 -2.07 1 147 ILE 1.45 0.44 1 148 GLU -5.05 -0.78 1 149 VAL 0.06 0.24 1 150 VAL 1.33 0.76 1 151 GLU 0.02 1.52 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4668_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.61 _LACS_plot.Line_1_terminator_val_y_1 4.25 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.42 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.34 _LACS_plot.Line_2_terminator_val_x_2 5.54 _LACS_plot.Line_2_terminator_val_y_2 -1.33 _LACS_plot.Y_axis_chem_shift_offset 0.10 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 146 ILE 2.84 -3.21 0 126 GLU -5.99 5.44 0 13 ILE -2.31 4.15 0 133 HIS 1.65 2.35 0 10 VAL -6.03 2.63 1 11 ASP -5.55 3.95 1 12 TYR -6.61 4.66 1 15 LYS -5.96 4.24 1 16 LEU -1.90 0.76 1 17 GLU 3.62 -0.19 1 18 SER 0.61 -0.13 1 20 ASP 0.24 0.31 1 21 VAL 0.64 -0.20 1 22 PHE -2.85 1.34 1 23 ASP -2.91 3.26 1 24 THR -0.80 -1.34 1 25 SER 0.61 0.24 1 26 ILE -0.09 0.29 1 27 GLU 3.89 0.18 1 28 GLU 3.97 -0.47 1 29 VAL 4.19 -1.49 1 30 ALA 3.58 -1.15 1 31 LYS 4.36 -0.46 1 32 GLU 3.04 -0.35 1 33 ALA -1.31 1.00 1 35 ILE -0.71 -0.12 1 36 TYR 1.11 0.02 1 37 ALA -4.78 2.50 1 39 ASP 0.23 -1.11 1 40 ARG -1.99 0.83 1 41 GLU -1.37 0.15 1 42 TYR 3.52 -1.43 1 43 GLU -2.65 1.56 1 45 LEU -1.99 1.85 1 46 GLU -5.50 3.13 1 47 PHE -2.45 0.78 1 48 VAL 0.27 -1.19 1 49 VAL 5.24 -1.40 1 51 GLU 0.36 0.04 1 53 GLN 2.03 -0.35 1 54 LEU -3.57 0.84 1 55 ILE 2.12 -0.79 1 56 GLN 4.51 -0.59 1 58 PHE 1.33 0.78 1 59 GLU 5.54 -0.93 1 60 GLU 1.29 0.33 1 61 ALA 1.89 0.10 1 62 VAL 1.43 -1.35 1 63 LEU 2.91 -1.27 1 64 ASP 1.81 -1.17 1 65 MET -2.12 3.34 1 66 GLU -5.30 2.22 1 67 VAL 5.31 -1.53 1 69 ASP -0.96 1.60 1 70 GLU -6.59 4.26 1 71 LYS -5.07 4.42 1 72 THR -0.21 0.45 1 73 VAL -6.11 2.95 1 74 LYS -0.31 -0.31 1 75 ILE -2.38 1.55 1 77 ALA 4.48 -0.79 1 78 GLU 3.81 -0.70 1 79 LYS -1.77 0.79 1 80 ALA -1.42 -0.42 1 81 TYR 4.02 -1.92 1 83 ASN -0.90 0.82 1 84 ARG 2.09 -0.18 1 85 ASN -2.37 0.87 1 86 GLU 3.11 -1.24 1 87 MET 2.26 -1.46 1 88 LEU 0.26 -1.22 1 89 ILE -0.57 -0.11 1 90 GLN -5.44 4.17 1 91 LYS -1.60 0.89 1 92 ILE -3.31 2.12 1 94 ARG 3.69 -1.01 1 95 ASP 2.82 -0.90 1 96 ALA 2.37 -0.66 1 97 PHE 1.43 -0.95 1 98 LYS 3.43 -0.43 1 99 GLU 0.20 -0.53 1 100 ALA -0.73 0.47 1 101 ASP 1.00 -0.84 1 102 PHE -3.46 1.30 1 103 GLU -3.00 1.18 1 105 GLU -6.16 4.11 1 106 GLU 2.60 -0.69 1 108 MET -1.05 2.43 1 109 VAL -0.31 -0.24 1 110 ILE -5.96 3.12 1 111 LEU -2.14 0.83 1 112 ALA -2.03 0.63 1 113 GLU 2.67 -2.37 1 115 ILE -2.26 1.49 1 117 ALA -5.15 3.26 1 118 THR -0.65 0.52 1 119 ILE 2.77 -2.08 1 120 THR 1.07 -0.91 1 121 GLU -2.83 3.10 1 122 VAL -1.22 1.62 1 123 THR -4.49 1.95 1 124 ASP 3.63 -0.64 1 125 ASN -1.83 2.48 1 127 VAL -3.48 2.20 1 128 THR 1.71 -0.65 1 129 LEU -4.59 2.68 1 130 ASP -4.04 2.53 1 131 PHE 1.62 -0.43 1 132 ASN 1.40 0.94 1 134 GLU 3.28 -0.41 1 135 LEU -0.14 -1.26 1 136 ALA 1.76 -0.46 1 138 LYS -1.54 0.63 1 139 ASP -0.13 -0.36 1 140 LEU -5.68 4.00 1 141 VAL -1.04 0.56 1 142 PHE -5.40 3.93 1 143 THR -0.15 0.95 1 144 ILE -4.09 3.87 1 145 LYS -5.60 3.53 1 147 ILE 1.45 -1.01 1 148 GLU -5.05 4.27 1 149 VAL 0.06 0.18 1 150 VAL 1.33 -0.57 1 151 GLU 0.02 1.50 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4668_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.61 _LACS_plot.Line_1_terminator_val_y_1 0.82 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.14 _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 5.54 _LACS_plot.Line_2_terminator_val_y_2 -0.52 _LACS_plot.Y_axis_chem_shift_offset -0.08 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 72 THR -0.21 1.38 0 27 GLU 3.89 -1.64 0 10 VAL -6.03 1.48 1 11 ASP -5.55 1.25 1 12 TYR -6.61 1.66 1 13 ILE -2.31 -0.23 1 15 LYS -5.96 1.09 1 16 LEU -1.90 0.51 1 17 GLU 3.62 -0.36 1 18 SER 0.61 -0.17 1 20 ASP 0.24 -0.04 1 21 VAL 0.64 0.12 1 22 PHE -2.85 0.55 1 23 ASP -2.91 0.17 1 24 THR -0.80 -0.10 1 25 SER 0.61 0.20 1 26 ILE -0.09 0.03 1 28 GLU 3.97 -0.54 1 29 VAL 4.19 -0.41 1 30 ALA 3.58 -0.60 1 31 LYS 4.36 -0.36 1 32 GLU 3.04 -0.33 1 33 ALA -1.31 0.13 1 35 ILE -0.71 0.62 1 36 TYR 1.11 -0.29 1 37 ALA -4.78 0.13 1 39 ASP 0.23 -0.07 1 40 ARG -1.99 -0.03 1 41 GLU -1.37 0.16 1 42 TYR 3.52 -0.21 1 43 GLU -2.65 0.51 1 45 LEU -1.99 0.24 1 46 GLU -5.50 1.53 1 47 PHE -2.45 0.36 1 48 VAL 0.27 0.19 1 49 VAL 5.24 -0.58 1 51 GLU 0.36 0.08 1 53 GLN 2.03 -0.23 1 54 LEU -3.57 0.07 1 55 ILE 2.12 -0.29 1 56 GLN 4.51 -0.34 1 58 PHE 1.33 -0.85 1 59 GLU 5.54 -0.37 1 60 GLU 1.29 -0.31 1 61 ALA 1.89 -0.20 1 62 VAL 1.43 0.18 1 63 LEU 2.91 -0.41 1 64 ASP 1.81 0.06 1 65 MET -2.12 -0.02 1 66 GLU -5.30 0.35 1 67 VAL 5.31 -0.84 1 69 ASP -0.96 0.03 1 70 GLU -6.59 1.29 1 71 LYS -5.07 0.45 1 73 VAL -6.11 0.59 1 74 LYS -0.31 0.71 1 75 ILE -2.38 0.22 1 77 ALA 4.48 -0.17 1 78 GLU 3.81 -0.37 1 79 LYS -1.77 0.17 1 80 ALA -1.42 0.24 1 81 TYR 4.02 -0.29 1 83 ASN -0.90 -0.07 1 84 ARG 2.09 -0.48 1 85 ASN -2.37 0.26 1 86 GLU 3.11 -0.16 1 87 MET 2.26 0.10 1 88 LEU 0.26 0.20 1 89 ILE -0.57 1.08 1 90 GLN -5.44 0.50 1 91 LYS -1.60 0.96 1 92 ILE -3.31 0.51 1 94 ARG 3.69 -0.25 1 95 ASP 2.82 -0.14 1 96 ALA 2.37 -0.13 1 97 PHE 1.43 -0.21 1 98 LYS 3.43 -0.12 1 99 GLU 0.20 0.04 1 100 ALA -0.73 0.04 1 101 ASP 1.00 -0.02 1 102 PHE -3.46 0.24 1 103 GLU -3.00 0.11 1 105 GLU -6.16 0.16 1 106 GLU 2.60 -0.69 1 108 MET -1.05 -0.24 1 109 VAL -0.31 0.76 1 110 ILE -5.96 0.51 1 111 LEU -2.14 0.39 1 112 ALA -2.03 0.43 1 113 GLU 2.67 -0.46 1 115 ILE -2.26 0.39 1 117 ALA -5.15 0.14 1 118 THR -0.65 0.53 1 119 ILE 2.77 0.43 1 120 THR 1.07 0.28 1 121 GLU -2.83 0.24 1 122 VAL -1.22 0.42 1 123 THR -4.49 0.62 1 124 ASP 3.63 -0.29 1 125 ASN -1.83 0.34 1 126 GLU -5.99 0.80 1 127 VAL -3.48 0.59 1 128 THR 1.71 0.59 1 129 LEU -4.59 0.52 1 130 ASP -4.04 0.64 1 131 PHE 1.62 0.08 1 132 ASN 1.40 -0.32 1 133 HIS 1.65 -0.60 1 134 GLU 3.28 -0.32 1 135 LEU -0.14 0.03 1 136 ALA 1.76 -0.17 1 138 LYS -1.54 0.33 1 139 ASP -0.13 0.35 1 140 LEU -5.68 0.83 1 141 VAL -1.04 0.87 1 142 PHE -5.40 1.35 1 143 THR -0.15 1.04 1 144 ILE -4.09 0.59 1 145 LYS -5.60 1.23 1 146 ILE 2.84 0.16 1 147 ILE 1.45 0.01 1 148 GLU -5.05 0.23 1 149 VAL 0.06 0.32 1 150 VAL 1.33 -0.07 1 151 GLU 0.02 -0.15 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4668_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.61 _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 0.39 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.97 _LACS_plot.Line_2_terminator_val_x_2 5.54 _LACS_plot.Line_2_terminator_val_y_2 1.61 _LACS_plot.Y_axis_chem_shift_offset 0.28 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 24 THR -0.80 -5.32 0 10 VAL -6.03 -1.77 1 11 ASP -5.55 0.15 1 12 TYR -6.61 -1.50 1 13 ILE -2.31 -2.36 1 15 LYS -5.96 -0.35 1 16 LEU -1.90 2.67 1 17 GLU 3.62 0.70 1 18 SER 0.61 0.90 1 20 ASP 0.24 -0.84 1 21 VAL 0.64 -0.39 1 22 PHE -2.85 -0.83 1 23 ASP -2.91 -3.21 1 25 SER 0.61 -0.65 1 26 ILE -0.09 0.00 1 27 GLU 3.89 1.38 1 28 GLU 3.97 2.63 1 29 VAL 4.19 1.51 1 30 ALA 3.58 2.18 1 31 LYS 4.36 3.42 1 32 GLU 3.04 1.30 1 33 ALA -1.31 -0.14 1 35 ILE -0.71 -0.52 1 36 TYR 1.11 -2.40 1 37 ALA -4.78 -1.16 1 39 ASP 0.23 -1.06 1 40 ARG -1.99 -1.85 1 41 GLU -1.37 -0.44 1 42 TYR 3.52 -1.63 1 43 GLU -2.65 -2.25 1 45 LEU -1.99 -2.10 1 46 GLU -5.50 -0.85 1 47 PHE -2.45 -4.17 1 48 VAL 0.27 0.68 1 49 VAL 5.24 1.67 1 51 GLU 0.36 1.33 1 53 GLN 2.03 0.03 1 54 LEU -3.57 -1.17 1 55 ILE 2.12 1.30 1 56 GLN 4.51 3.40 1 58 PHE 1.33 0.22 1 59 GLU 5.54 1.54 1 60 GLU 1.29 2.41 1 61 ALA 1.89 0.98 1 62 VAL 1.43 -0.23 1 63 LEU 2.91 0.26 1 64 ASP 1.81 -0.60 1 65 MET -2.12 -1.85 1 66 GLU -5.30 -0.02 1 67 VAL 5.31 0.53 1 69 ASP -0.96 -1.76 1 70 GLU -6.59 -1.29 1 71 LYS -5.07 -2.29 1 72 THR -0.21 -0.55 1 73 VAL -6.11 -3.71 1 74 LYS -0.31 -0.69 1 75 ILE -2.38 -2.44 1 77 ALA 4.48 2.82 1 78 GLU 3.81 1.06 1 79 LYS -1.77 -3.40 1 80 ALA -1.42 -1.88 1 81 TYR 4.02 -1.04 1 83 ASN -0.90 1.42 1 84 ARG 2.09 -0.58 1 85 ASN -2.37 2.68 1 86 GLU 3.11 1.08 1 87 MET 2.26 1.14 1 88 LEU 0.26 -3.16 1 89 ILE -0.57 -0.19 1 90 GLN -5.44 -2.05 1 91 LYS -1.60 -0.26 1 92 ILE -3.31 -2.04 1 94 ARG 3.69 2.23 1 95 ASP 2.82 1.11 1 96 ALA 2.37 1.11 1 97 PHE 1.43 0.59 1 98 LYS 3.43 1.07 1 99 GLU 0.20 -0.29 1 100 ALA -0.73 -0.39 1 101 ASP 1.00 -1.62 1 102 PHE -3.46 -2.44 1 103 GLU -3.00 -0.78 1 105 GLU -6.16 -2.15 1 106 GLU 2.60 0.81 1 108 MET -1.05 -2.05 1 109 VAL -0.31 0.40 1 110 ILE -5.96 -2.55 1 111 LEU -2.14 -1.27 1 112 ALA -2.03 -1.60 1 113 GLU 2.67 0.24 1 115 ILE -2.26 -1.27 1 117 ALA -5.15 -2.13 1 118 THR -0.65 0.19 1 119 ILE 2.77 0.29 1 120 THR 1.07 0.59 1 121 GLU -2.83 -2.83 1 122 VAL -1.22 -1.14 1 123 THR -4.49 -0.26 1 124 ASP 3.63 0.30 1 125 ASN -1.83 1.17 1 126 GLU -5.99 -3.06 1 127 VAL -3.48 -1.97 1 128 THR 1.71 -1.87 1 129 LEU -4.59 -3.22 1 130 ASP -4.04 1.43 1 131 PHE 1.62 1.26 1 132 ASN 1.40 0.21 1 133 HIS 1.65 3.45 1 134 GLU 3.28 1.02 1 135 LEU -0.14 0.66 1 136 ALA 1.76 1.49 1 138 LYS -1.54 -2.07 1 139 ASP -0.13 -0.79 1 140 LEU -5.68 -1.71 1 141 VAL -1.04 -0.48 1 142 PHE -5.40 -0.21 1 143 THR -0.15 -0.47 1 144 ILE -4.09 -3.04 1 145 LYS -5.60 -0.18 1 146 ILE 2.84 -0.35 1 147 ILE 1.45 -0.34 1 148 GLU -5.05 -2.69 1 149 VAL 0.06 -0.82 1 150 VAL 1.33 -1.38 1 stop_ save_