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 bmr6081_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.78 _LACS_plot.Line_1_terminator_val_y_1 -3.12 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.14 _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 7.72 _LACS_plot.Line_2_terminator_val_y_2 5.86 _LACS_plot.Y_axis_chem_shift_offset -0.26 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 103 ASP 0.01 -2.28 0 139 ASP 0.68 -2.11 0 10 SER -3.26 -1.42 1 12 ASN 3.52 3.21 1 13 GLN 3.75 3.79 1 14 VAL 7.73 6.29 1 15 LYS 4.61 3.17 1 16 LEU 4.01 3.56 1 17 LEU 4.07 3.52 1 18 GLU 3.39 3.54 1 19 THR 5.35 4.93 1 20 ALA 3.09 2.57 1 21 PHE 3.77 4.60 1 22 ARG 4.21 2.87 1 23 ASP 2.66 2.20 1 24 PHE -0.63 0.63 1 25 GLU 0.22 0.87 1 26 THR -3.61 -1.00 1 28 GLU 2.72 2.31 1 30 SER 0.26 1.60 1 32 ARG -4.60 -1.70 1 33 VAL -5.16 -2.92 1 34 SER -1.34 -0.56 1 35 THR 5.99 3.65 1 36 ASP 2.57 1.69 1 37 GLN -0.77 -0.47 1 38 ILE 5.41 4.43 1 40 ILE 3.45 2.47 1 41 ILE 5.72 4.46 1 42 LEU 6.14 3.25 1 43 GLU 4.57 3.74 1 44 VAL 6.16 4.37 1 45 LEU -1.25 0.10 1 47 ILE -0.83 -1.95 1 48 GLN 0.96 0.56 1 49 GLN -6.26 -3.63 1 50 THR -2.37 -0.82 1 51 LYS 4.98 3.84 1 52 SER 4.31 2.95 1 53 THR 6.01 4.67 1 54 ILE 6.29 4.04 1 55 ARG 4.70 3.45 1 56 GLN 4.62 3.48 1 57 LEU 2.80 3.18 1 58 ILE 6.78 5.59 1 59 ASP 3.90 3.09 1 60 GLU 2.09 2.03 1 61 PHE 2.45 2.58 1 62 ASP 0.27 0.44 1 64 PHE 0.89 -0.82 1 66 ASN 2.03 2.50 1 68 ASP -5.10 -1.46 1 69 ILE -5.15 -1.26 1 70 ASP -3.83 -2.24 1 71 PHE 3.98 2.84 1 72 ASP 5.03 4.14 1 74 PHE 3.72 3.92 1 75 LYS 5.36 4.22 1 76 ILE 5.83 4.36 1 77 ILE 6.48 5.22 1 79 ALA 3.05 2.07 1 80 ARG 4.17 2.97 1 81 PHE -2.15 0.73 1 82 LEU 0.82 1.11 1 84 GLU -1.10 -0.45 1 85 GLU -0.88 -0.23 1 86 VAL -0.13 -0.08 1 87 ASN -0.22 -0.11 1 89 GLU 2.85 2.23 1 90 GLN 3.64 2.78 1 91 MET 3.42 2.88 1 92 GLN 4.48 3.34 1 93 GLN 5.26 3.91 1 94 GLU 3.53 2.86 1 95 LEU 3.76 3.24 1 96 ARG 5.30 3.84 1 97 GLU 3.51 2.55 1 98 ALA 3.66 2.48 1 99 PHE 3.95 4.26 1 100 ARG 3.47 2.55 1 101 LEU 3.16 1.90 1 102 TYR 1.12 1.34 1 104 LYS 3.40 2.87 1 105 GLU 0.69 0.21 1 107 ASN 1.42 1.47 1 109 TYR -3.05 -1.91 1 110 ILE -4.96 -2.06 1 111 SER -0.85 -0.36 1 112 THR 6.15 3.82 1 113 ASP 4.42 3.54 1 114 VAL 5.68 4.10 1 115 MET 0.61 1.51 1 116 ARG 4.84 4.63 1 117 GLU 3.36 2.67 1 118 ILE 4.81 4.61 1 119 LEU 3.09 2.67 1 120 ALA 2.01 1.52 1 121 GLU 1.86 1.38 1 122 LEU 1.46 1.68 1 123 ASP -0.21 -0.67 1 124 GLU 1.79 1.10 1 125 THR 0.94 0.73 1 126 LEU -0.14 0.01 1 127 SER -3.86 -1.60 1 128 SER 6.41 3.94 1 129 GLU 4.10 3.15 1 130 ASP 2.91 2.99 1 131 LEU 3.64 3.11 1 132 ASP 4.61 3.78 1 133 ALA 3.40 2.35 1 134 MET 3.52 3.78 1 135 ILE 5.32 1.52 1 136 ASP 3.12 2.80 1 137 GLU 1.42 1.57 1 138 ILE 2.04 3.04 1 140 ALA 2.16 2.24 1 141 ASP -0.84 -2.21 1 143 SER 0.60 1.73 1 145 THR -6.78 -3.32 1 146 VAL -0.30 -0.82 1 147 ASP -2.19 -1.45 1 148 PHE 4.92 4.68 1 149 GLU 5.01 4.04 1 150 GLU 2.68 2.42 1 151 PHE 2.85 3.47 1 152 MET 4.11 2.61 1 154 VAL 1.55 0.89 1 155 MET 1.40 0.11 1 156 THR -0.58 0.13 1 159 ASP 0.01 0.12 1 160 GLU 0.88 1.60 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6081_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.78 _LACS_plot.Line_1_terminator_val_y_1 3.66 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.86 _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 7.72 _LACS_plot.Line_2_terminator_val_y_2 -1.86 _LACS_plot.Y_axis_chem_shift_offset -0.26 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 103 ASP 0.01 -2.29 0 139 ASP 0.68 -2.79 0 10 SER -3.26 1.84 1 12 ASN 3.52 -0.31 1 13 GLN 3.75 0.04 1 14 VAL 7.73 -1.44 1 15 LYS 4.61 -1.44 1 16 LEU 4.01 -0.45 1 17 LEU 4.07 -0.55 1 18 GLU 3.39 0.15 1 19 THR 5.35 -0.42 1 20 ALA 3.09 -0.52 1 21 PHE 3.77 0.83 1 22 ARG 4.21 -1.34 1 23 ASP 2.66 -0.46 1 24 PHE -0.63 1.26 1 25 GLU 0.22 0.65 1 26 THR -3.61 2.61 1 28 GLU 2.72 -0.41 1 30 SER 0.26 1.34 1 32 ARG -4.60 2.90 1 33 VAL -5.16 2.24 1 34 SER -1.34 0.78 1 35 THR 5.99 -2.34 1 36 ASP 2.57 -0.88 1 37 GLN -0.77 0.30 1 38 ILE 5.41 -0.98 1 40 ILE 3.45 -0.98 1 41 ILE 5.72 -1.26 1 42 LEU 6.14 -2.89 1 43 GLU 4.57 -0.83 1 44 VAL 6.16 -1.79 1 45 LEU -1.25 1.35 1 47 ILE -0.83 -1.12 1 48 GLN 0.96 -0.40 1 49 GLN -6.26 2.63 1 50 THR -2.37 1.55 1 51 LYS 4.98 -1.14 1 52 SER 4.31 -1.36 1 53 THR 6.01 -1.34 1 54 ILE 6.29 -2.25 1 55 ARG 4.70 -1.25 1 56 GLN 4.62 -1.14 1 57 LEU 2.80 0.38 1 58 ILE 6.78 -1.19 1 59 ASP 3.90 -0.81 1 60 GLU 2.09 -0.06 1 61 PHE 2.45 0.13 1 62 ASP 0.27 0.17 1 64 PHE 0.89 -1.71 1 66 ASN 2.03 0.47 1 68 ASP -5.10 3.64 1 69 ILE -5.15 3.89 1 70 ASP -3.83 1.59 1 71 PHE 3.98 -1.14 1 72 ASP 5.03 -0.89 1 74 PHE 3.72 0.20 1 75 LYS 5.36 -1.14 1 76 ILE 5.83 -1.47 1 77 ILE 6.48 -1.26 1 79 ALA 3.05 -0.98 1 80 ARG 4.17 -1.20 1 81 PHE -2.15 2.88 1 82 LEU 0.82 0.29 1 84 GLU -1.10 0.65 1 85 GLU -0.88 0.65 1 86 VAL -0.13 0.05 1 87 ASN -0.22 0.11 1 89 GLU 2.85 -0.62 1 90 GLN 3.64 -0.86 1 91 MET 3.42 -0.54 1 92 GLN 4.48 -1.14 1 93 GLN 5.26 -1.35 1 94 GLU 3.53 -0.67 1 95 LEU 3.76 -0.52 1 96 ARG 5.30 -1.46 1 97 GLU 3.51 -0.96 1 98 ALA 3.66 -1.18 1 99 PHE 3.95 0.31 1 100 ARG 3.47 -0.92 1 101 LEU 3.16 -1.26 1 102 TYR 1.12 0.22 1 104 LYS 3.40 -0.53 1 105 GLU 0.69 -0.48 1 107 ASN 1.42 0.05 1 109 TYR -3.05 1.14 1 110 ILE -4.96 2.90 1 111 SER -0.85 0.49 1 112 THR 6.15 -2.33 1 113 ASP 4.42 -0.88 1 114 VAL 5.68 -1.58 1 115 MET 0.61 0.90 1 116 ARG 4.84 -0.21 1 117 GLU 3.36 -0.69 1 118 ILE 4.81 -0.20 1 119 LEU 3.09 -0.42 1 120 ALA 2.01 -0.49 1 121 GLU 1.86 -0.48 1 122 LEU 1.46 0.22 1 123 ASP -0.21 -0.46 1 124 GLU 1.79 -0.69 1 125 THR 0.94 -0.21 1 126 LEU -0.14 0.15 1 127 SER -3.86 2.26 1 128 SER 6.41 -2.47 1 129 GLU 4.10 -0.95 1 130 ASP 2.91 0.08 1 131 LEU 3.64 -0.53 1 132 ASP 4.61 -0.83 1 133 ALA 3.40 -1.05 1 134 MET 3.52 0.26 1 135 ILE 5.32 -3.80 1 136 ASP 3.12 -0.32 1 137 GLU 1.42 0.15 1 138 ILE 2.04 1.00 1 140 ALA 2.16 0.08 1 141 ASP -0.84 -1.37 1 143 SER 0.60 1.13 1 145 THR -6.78 3.46 1 146 VAL -0.30 -0.52 1 147 ASP -2.19 0.74 1 148 PHE 4.92 -0.24 1 149 GLU 5.01 -0.97 1 150 GLU 2.68 -0.26 1 151 PHE 2.85 0.62 1 152 MET 4.11 -1.50 1 154 VAL 1.55 -0.66 1 155 MET 1.40 -1.29 1 156 THR -0.58 0.71 1 159 ASP 0.01 0.11 1 160 GLU 0.88 0.72 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6081_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.78 _LACS_plot.Line_1_terminator_val_y_1 0.70 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.19 _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 7.72 _LACS_plot.Line_2_terminator_val_y_2 -0.74 _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 32 ARG -4.60 1.11 0 148 PHE 4.92 -1.33 0 145 THR -6.78 0.30 0 146 VAL -0.30 1.00 0 10 SER -3.26 0.13 1 13 GLN 3.75 -0.18 1 14 VAL 7.73 -0.58 1 15 LYS 4.61 -0.08 1 17 LEU 4.07 -0.07 1 18 GLU 3.39 -0.61 1 19 THR 5.35 -0.02 1 20 ALA 3.09 0.07 1 21 PHE 3.77 -1.07 1 22 ARG 4.21 -0.27 1 23 ASP 2.66 -0.22 1 24 PHE -0.63 -0.24 1 25 GLU 0.22 -0.34 1 26 THR -3.61 -0.08 1 28 GLU 2.72 -0.37 1 30 SER 0.26 -0.32 1 33 VAL -5.16 0.22 1 34 SER -1.34 0.42 1 35 THR 5.99 -0.55 1 36 ASP 2.57 -0.15 1 37 GLN -0.77 0.21 1 38 ILE 5.41 -0.70 1 40 ILE 3.45 -0.29 1 41 ILE 5.72 -1.01 1 42 LEU 6.14 -0.46 1 43 GLU 4.57 -0.42 1 44 VAL 6.16 -0.27 1 45 LEU -1.25 -0.05 1 47 ILE -0.83 0.32 1 48 GLN 0.96 -0.36 1 50 THR -2.37 -0.06 1 51 LYS 4.98 -0.37 1 52 SER 4.31 -0.25 1 53 THR 6.01 -0.33 1 54 ILE 6.29 -0.64 1 56 GLN 4.62 -0.17 1 57 LEU 2.80 0.07 1 58 ILE 6.78 -0.70 1 59 ASP 3.90 -0.42 1 60 GLU 2.09 -0.55 1 61 PHE 2.45 -0.07 1 62 ASP 0.27 0.49 1 64 PHE 0.89 0.05 1 66 ASN 2.03 -0.16 1 68 ASP -5.10 0.77 1 69 ILE -5.15 0.73 1 70 ASP -3.83 0.96 1 71 PHE 3.98 -1.06 1 72 ASP 5.03 -0.60 1 74 PHE 3.72 -0.84 1 75 LYS 5.36 -0.96 1 76 ILE 5.83 -0.84 1 77 ILE 6.48 -1.16 1 79 ALA 3.05 -0.41 1 80 ARG 4.17 -0.60 1 81 PHE -2.15 0.25 1 82 LEU 0.82 -0.04 1 84 GLU -1.10 0.03 1 85 GLU -0.88 0.02 1 86 VAL -0.13 0.01 1 87 ASN -0.22 0.00 1 89 GLU 2.85 -0.16 1 92 GLN 4.48 -0.21 1 93 GLN 5.26 -0.30 1 94 GLU 3.53 -0.24 1 95 LEU 3.76 0.14 1 96 ARG 5.30 -0.31 1 97 GLU 3.51 -0.23 1 98 ALA 3.66 -0.19 1 99 PHE 3.95 -0.96 1 100 ARG 3.47 -0.46 1 101 LEU 3.16 -0.44 1 102 TYR 1.12 -0.13 1 103 ASP 0.01 0.06 1 104 LYS 3.40 -0.33 1 105 GLU 0.69 -0.17 1 107 ASN 1.42 -0.25 1 109 TYR -3.05 0.86 1 110 ILE -4.96 0.63 1 111 SER -0.85 0.24 1 112 THR 6.15 -0.02 1 113 ASP 4.42 -0.25 1 114 VAL 5.68 -0.33 1 115 MET 0.61 -0.13 1 116 ARG 4.84 -0.59 1 118 ILE 4.81 -0.54 1 119 LEU 3.09 -0.45 1 120 ALA 2.01 -0.18 1 121 GLU 1.86 -0.27 1 122 LEU 1.46 -0.17 1 123 ASP -0.21 0.05 1 124 GLU 1.79 0.14 1 125 THR 0.94 0.07 1 126 LEU -0.14 0.12 1 127 SER -3.86 0.13 1 128 SER 6.41 -0.40 1 129 GLU 4.10 -0.22 1 130 ASP 2.91 -0.24 1 131 LEU 3.64 -0.38 1 132 ASP 4.61 -0.44 1 133 ALA 3.40 -0.12 1 134 MET 3.52 -0.33 1 135 ILE 5.32 -0.52 1 136 ASP 3.12 -0.25 1 137 GLU 1.42 -0.33 1 138 ILE 2.04 -0.44 1 139 ASP 0.68 0.25 1 140 ALA 2.16 -0.20 1 141 ASP -0.84 0.04 1 143 SER 0.60 -0.32 1 147 ASP -2.19 0.65 1 149 GLU 5.01 -0.65 1 150 GLU 2.68 -0.33 1 151 PHE 2.85 -0.68 1 152 MET 4.11 -0.72 1 154 VAL 1.55 0.04 1 155 MET 1.40 -0.10 1 156 THR -0.58 0.08 1 159 ASP 0.01 0.03 1 160 GLU 0.88 -0.23 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6081_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.78 _LACS_plot.Line_1_terminator_val_y_1 -1.87 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.15 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.14 _LACS_plot.Line_2_terminator_val_x_2 7.72 _LACS_plot.Line_2_terminator_val_y_2 2.84 _LACS_plot.Y_axis_chem_shift_offset -0.47 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 34 SER -1.34 3.38 0 145 THR -6.78 -2.38 0 98 ALA 3.66 -2.34 0 10 SER -3.26 0.75 1 12 ASN 3.52 2.80 1 13 GLN 3.75 2.23 1 14 VAL 7.73 1.40 1 15 LYS 4.61 2.97 1 16 LEU 4.01 -0.90 1 17 LEU 4.07 1.13 1 18 GLU 3.39 2.11 1 19 THR 5.35 2.35 1 20 ALA 3.09 0.68 1 21 PHE 3.77 1.73 1 22 ARG 4.21 2.54 1 23 ASP 2.66 0.83 1 24 PHE -0.63 -0.75 1 25 GLU 0.22 -0.32 1 28 GLU 2.72 1.29 1 30 SER 0.26 1.88 1 32 ARG -4.60 -2.19 1 33 VAL -5.16 -1.41 1 35 THR 5.99 3.08 1 36 ASP 2.57 1.00 1 37 GLN -0.77 0.26 1 38 ILE 5.41 0.06 1 40 ILE 3.45 1.31 1 41 ILE 5.72 1.58 1 42 LEU 6.14 1.38 1 43 GLU 4.57 4.57 1 44 VAL 6.16 2.20 1 45 LEU -1.25 -1.21 1 47 ILE -0.83 -2.15 1 48 GLN 0.96 -0.76 1 49 GLN -6.26 -0.79 1 50 THR -2.37 0.64 1 51 LYS 4.98 3.01 1 52 SER 4.31 1.25 1 53 THR 6.01 1.60 1 54 ILE 6.29 0.86 1 55 ARG 4.70 2.23 1 56 GLN 4.62 3.46 1 57 LEU 2.80 1.56 1 58 ILE 6.78 1.03 1 59 ASP 3.90 1.18 1 60 GLU 2.09 1.56 1 61 PHE 2.45 -0.59 1 64 PHE 0.89 -0.64 1 66 ASN 2.03 2.81 1 68 ASP -5.10 -2.41 1 69 ILE -5.15 -2.26 1 70 ASP -3.83 0.15 1 71 PHE 3.98 0.66 1 72 ASP 5.03 3.34 1 74 PHE 3.72 0.49 1 75 LYS 5.36 1.09 1 76 ILE 5.83 1.79 1 77 ILE 6.48 1.26 1 79 ALA 3.05 1.05 1 80 ARG 4.17 1.26 1 81 PHE -2.15 0.68 1 82 LEU 0.82 0.04 1 84 GLU -1.10 0.14 1 85 GLU -0.88 -0.41 1 86 VAL -0.13 -0.84 1 89 GLU 2.85 1.66 1 90 GLN 3.64 0.45 1 91 MET 3.42 1.73 1 92 GLN 4.48 1.75 1 93 GLN 5.26 0.53 1 94 GLU 3.53 2.77 1 95 LEU 3.76 1.61 1 96 ARG 5.30 2.89 1 97 GLU 3.51 2.15 1 99 PHE 3.95 1.21 1 100 ARG 3.47 1.70 1 101 LEU 3.16 1.34 1 102 TYR 1.12 0.85 1 103 ASP 0.01 0.32 1 104 LYS 3.40 2.21 1 105 GLU 0.69 0.38 1 107 ASN 1.42 1.44 1 109 TYR -3.05 -2.95 1 110 ILE -4.96 -0.67 1 111 SER -0.85 1.42 1 112 THR 6.15 2.35 1 113 ASP 4.42 2.48 1 114 VAL 5.68 1.79 1 115 MET 0.61 1.11 1 116 ARG 4.84 1.20 1 117 GLU 3.36 2.84 1 118 ILE 4.81 2.56 1 119 LEU 3.09 1.06 1 120 ALA 2.01 1.59 1 121 GLU 1.86 2.16 1 122 LEU 1.46 0.40 1 123 ASP -0.21 -1.01 1 124 GLU 1.79 0.42 1 125 THR 0.94 0.91 1 126 LEU -0.14 -0.21 1 127 SER -3.86 0.24 1 128 SER 6.41 3.88 1 129 GLU 4.10 3.12 1 130 ASP 2.91 3.95 1 131 LEU 3.64 0.90 1 132 ASP 4.61 2.55 1 133 ALA 3.40 2.91 1 134 MET 3.52 2.57 1 135 ILE 5.32 0.49 1 136 ASP 3.12 1.45 1 137 GLU 1.42 1.66 1 138 ILE 2.04 1.76 1 139 ASP 0.68 1.27 1 140 ALA 2.16 0.68 1 141 ASP -0.84 1.30 1 143 SER 0.60 1.63 1 146 VAL -0.30 -1.26 1 147 ASP -2.19 2.87 1 148 PHE 4.92 4.01 1 149 GLU 5.01 4.00 1 150 GLU 2.68 2.81 1 151 PHE 2.85 0.86 1 152 MET 4.11 2.61 1 154 VAL 1.55 0.81 1 155 MET 1.40 1.16 1 156 THR -0.58 2.33 1 159 ASP 0.01 -0.89 1 stop_ save_