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 bmr25869_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.51 _LACS_plot.Line_1_terminator_val_y_1 -2.29 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.43 _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 7.30 _LACS_plot.Line_2_terminator_val_y_2 5.26 _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 56 LEU 2.17 -0.90 0 47 THR -2.83 -3.69 0 10 LEU 0.20 -0.06 1 12 ASP 0.08 0.04 1 13 ALA -0.20 -0.22 1 14 GLN -0.48 -0.19 1 15 PHE -0.28 -0.17 1 16 ALA -0.38 0.21 1 17 LEU 0.02 -0.24 1 18 LYS -0.19 -0.10 1 19 GLU -5.66 -2.46 1 20 ILE -4.39 -1.30 1 21 ASP -3.07 -1.80 1 22 VAL -1.95 -1.10 1 23 SER -2.97 -1.35 1 24 ALA -4.78 -1.30 1 27 ALA -1.09 -0.41 1 28 TYR -0.19 -1.01 1 31 THR 7.30 4.82 1 32 VAL 6.26 4.46 1 35 LEU 3.67 2.85 1 36 LYS 5.81 4.83 1 37 GLU 3.08 2.70 1 38 THR 6.48 5.28 1 39 LEU 4.93 3.06 1 41 ASN 2.85 2.02 1 42 SER 0.04 0.25 1 44 VAL -0.12 -0.72 1 45 LYS -0.24 -0.57 1 46 VAL 0.69 -1.57 1 48 SER 2.73 1.62 1 49 ASN 0.34 -0.43 1 50 ALA -0.45 -0.10 1 52 TYR -3.64 -2.10 1 53 HIS -2.12 -1.38 1 54 LEU -1.54 -1.01 1 55 VAL -2.69 -1.85 1 57 VAL 3.24 2.93 1 58 ARG -1.13 1.18 1 59 GLU -4.07 -1.64 1 60 ASP -4.79 -1.06 1 61 ASN -2.55 -0.40 1 63 GLN -3.18 -0.91 1 65 THR 1.14 0.56 1 66 VAL -0.59 -0.29 1 67 SER -1.20 -1.06 1 68 TYR -1.00 -0.60 1 69 THR 0.24 0.00 1 71 SER -0.04 -0.37 1 72 ALA 0.54 0.14 1 73 ARG 0.27 -0.13 1 75 ALA -1.73 -0.67 1 77 PHE -4.73 -1.99 1 78 GLU -5.55 -2.00 1 79 LEU -2.59 -1.36 1 80 THR -1.40 -0.19 1 81 ASN -4.32 -1.22 1 82 THR -2.70 -0.89 1 83 ILE -3.71 -0.48 1 84 ASN -1.63 -0.40 1 85 TYR -6.34 -2.71 1 86 GLU -6.51 -2.84 1 87 ILE -0.86 -1.74 1 88 VAL -3.46 -1.30 1 90 ALA 0.32 -0.19 1 91 ASN 3.18 1.21 1 92 ASP 3.25 1.32 1 93 LEU -0.22 -0.37 1 94 VAL 3.64 1.99 1 95 LEU 0.53 0.58 1 96 MET -4.26 -0.42 1 97 SER -2.20 -1.59 1 98 ASN -4.62 -0.98 1 99 GLN -4.77 -1.58 1 100 VAL -3.82 -2.55 1 101 GLN -5.73 -0.94 1 102 VAL -4.14 -1.96 1 103 GLN -5.66 -1.48 1 104 LYS -6.47 -1.87 1 105 VAL -2.48 -1.57 1 106 TYR -4.50 -1.90 1 108 HIS -1.44 0.67 1 109 ASP -2.02 -1.47 1 110 GLU 1.57 1.00 1 111 ASN 0.70 0.46 1 112 ASN 0.11 -0.65 1 113 LEU 2.25 1.45 1 114 ILE 1.58 0.79 1 116 SER 2.87 2.16 1 117 ASP 3.27 2.28 1 118 GLN 4.12 2.74 1 119 GLU 2.87 2.57 1 120 ALA 3.78 2.21 1 121 ALA 3.78 2.50 1 122 GLN 4.55 2.85 1 123 LEU 3.36 2.66 1 124 ARG 4.92 3.59 1 125 SER 2.48 1.06 1 130 ASP 3.15 3.16 1 132 ILE 5.69 3.21 1 133 GLN 5.26 3.58 1 134 GLN 3.98 3.92 1 135 LEU 3.61 3.10 1 136 SER 5.33 4.38 1 137 MET 3.92 3.19 1 138 ARG 4.23 2.28 1 139 LEU 2.66 1.88 1 140 GLN 3.41 2.48 1 141 ALA -0.45 -0.54 1 142 LEU -1.40 -0.59 1 143 THR -1.83 -2.07 1 145 ALA 3.53 2.52 1 146 GLN 3.46 2.65 1 147 LEU 4.87 2.65 1 148 ASP 3.76 2.91 1 149 GLU 3.27 2.17 1 150 ALA 3.62 2.29 1 151 GLN 5.19 3.73 1 152 ARG 4.49 3.72 1 153 GLN 4.51 2.95 1 154 ALA 3.07 2.44 1 155 GLU 3.34 2.62 1 156 ALA 3.69 2.20 1 157 LYS 4.11 2.48 1 158 ALA 3.51 2.21 1 159 LYS 3.05 2.52 1 160 ALA 3.01 1.84 1 161 GLU 1.94 1.49 1 162 ALA 2.09 1.24 1 163 GLU 0.90 0.59 1 164 ALA 0.60 0.16 1 165 LEU 0.34 -0.15 1 166 ARG 1.00 1.42 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25869_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.51 _LACS_plot.Line_1_terminator_val_y_1 4.22 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.57 _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 7.30 _LACS_plot.Line_2_terminator_val_y_2 -2.04 _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 56 LEU 2.17 -3.07 0 47 THR -2.83 -0.86 0 10 LEU 0.20 -0.26 1 12 ASP 0.08 -0.04 1 13 ALA -0.20 -0.02 1 14 GLN -0.48 0.29 1 15 PHE -0.28 0.11 1 16 ALA -0.38 0.59 1 17 LEU 0.02 -0.26 1 18 LYS -0.19 0.09 1 19 GLU -5.66 3.20 1 20 ILE -4.39 3.09 1 21 ASP -3.07 1.27 1 22 VAL -1.95 0.85 1 23 SER -2.97 1.62 1 24 ALA -4.78 3.48 1 27 ALA -1.09 0.68 1 28 TYR -0.19 -0.82 1 31 THR 7.30 -2.48 1 32 VAL 6.26 -1.80 1 35 LEU 3.67 -0.82 1 36 LYS 5.81 -0.98 1 37 GLU 3.08 -0.38 1 38 THR 6.48 -1.20 1 39 LEU 4.93 -1.87 1 41 ASN 2.85 -0.83 1 42 SER 0.04 0.21 1 44 VAL -0.12 -0.60 1 45 LYS -0.24 -0.33 1 46 VAL 0.69 -2.26 1 48 SER 2.73 -1.11 1 49 ASN 0.34 -0.77 1 50 ALA -0.45 0.35 1 52 TYR -3.64 1.54 1 53 HIS -2.12 0.74 1 54 LEU -1.54 0.53 1 55 VAL -2.69 0.84 1 57 VAL 3.24 -0.31 1 58 ARG -1.13 2.31 1 59 GLU -4.07 2.43 1 60 ASP -4.79 3.73 1 61 ASN -2.55 2.15 1 63 GLN -3.18 2.27 1 65 THR 1.14 -0.58 1 66 VAL -0.59 0.30 1 67 SER -1.20 0.14 1 68 TYR -1.00 0.40 1 69 THR 0.24 -0.24 1 71 SER -0.04 -0.33 1 72 ALA 0.54 -0.40 1 73 ARG 0.27 -0.40 1 75 ALA -1.73 1.06 1 77 PHE -4.73 2.74 1 78 GLU -5.55 3.55 1 79 LEU -2.59 1.23 1 80 THR -1.40 1.21 1 81 ASN -4.32 3.10 1 82 THR -2.70 1.81 1 83 ILE -3.71 3.23 1 84 ASN -1.63 1.23 1 85 TYR -6.34 3.63 1 86 GLU -6.51 3.67 1 87 ILE -0.86 -0.88 1 88 VAL -3.46 2.16 1 90 ALA 0.32 -0.51 1 91 ASN 3.18 -1.97 1 92 ASP 3.25 -1.93 1 93 LEU -0.22 -0.15 1 94 VAL 3.64 -1.65 1 95 LEU 0.53 0.05 1 96 MET -4.26 3.84 1 97 SER -2.20 0.61 1 98 ASN -4.62 3.64 1 99 GLN -4.77 3.19 1 100 VAL -3.82 1.27 1 101 GLN -5.73 4.79 1 102 VAL -4.14 2.18 1 103 GLN -5.66 4.18 1 104 LYS -6.47 4.60 1 105 VAL -2.48 0.91 1 106 TYR -4.50 2.60 1 108 HIS -1.44 2.11 1 109 ASP -2.02 0.55 1 110 GLU 1.57 -0.57 1 111 ASN 0.70 -0.24 1 112 ASN 0.11 -0.76 1 113 LEU 2.25 -0.80 1 114 ILE 1.58 -0.79 1 116 SER 2.87 -0.71 1 117 ASP 3.27 -0.99 1 118 GLN 4.12 -1.38 1 119 GLU 2.87 -0.30 1 120 ALA 3.78 -1.57 1 121 ALA 3.78 -1.28 1 122 GLN 4.55 -1.70 1 123 LEU 3.36 -0.70 1 124 ARG 4.92 -1.33 1 125 SER 2.48 -1.42 1 130 ASP 3.15 0.01 1 132 ILE 5.69 -2.48 1 133 GLN 5.26 -1.68 1 134 GLN 3.98 -0.06 1 135 LEU 3.61 -0.51 1 136 SER 5.33 -0.95 1 137 MET 3.92 -0.73 1 138 ARG 4.23 -1.95 1 139 LEU 2.66 -0.78 1 140 GLN 3.41 -0.93 1 141 ALA -0.45 -0.09 1 142 LEU -1.40 0.81 1 143 THR -1.83 -0.24 1 145 ALA 3.53 -1.01 1 146 GLN 3.46 -0.81 1 147 LEU 4.87 -2.22 1 148 ASP 3.76 -0.85 1 149 GLU 3.27 -1.10 1 150 ALA 3.62 -1.33 1 151 GLN 5.19 -1.46 1 152 ARG 4.49 -0.77 1 153 GLN 4.51 -1.56 1 154 ALA 3.07 -0.63 1 155 GLU 3.34 -0.72 1 156 ALA 3.69 -1.49 1 157 LYS 4.11 -1.63 1 158 ALA 3.51 -1.30 1 159 LYS 3.05 -0.53 1 160 ALA 3.01 -1.17 1 161 GLU 1.94 -0.45 1 162 ALA 2.09 -0.85 1 163 GLU 0.90 -0.31 1 164 ALA 0.60 -0.44 1 165 LEU 0.34 -0.49 1 166 ARG 1.00 0.42 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25869_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.51 _LACS_plot.Line_1_terminator_val_y_1 0.72 _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 0.21 _LACS_plot.Line_2_terminator_val_x_2 7.30 _LACS_plot.Line_2_terminator_val_y_2 -0.85 _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 46 VAL 0.69 0.97 0 10 LEU 0.20 -0.14 1 12 ASP 0.08 -0.17 1 13 ALA -0.20 -0.16 1 14 GLN -0.48 -0.17 1 15 PHE -0.28 -0.14 1 16 ALA -0.38 -0.04 1 17 LEU 0.02 -0.19 1 18 LYS -0.19 -0.05 1 19 GLU -5.66 1.19 1 20 ILE -4.39 -0.04 1 21 ASP -3.07 0.27 1 22 VAL -1.95 0.76 1 23 SER -2.97 0.02 1 24 ALA -4.78 0.45 1 27 ALA -1.09 -0.10 1 28 TYR -0.19 0.02 1 31 THR 7.30 -0.81 1 32 VAL 6.26 -0.93 1 35 LEU 3.67 -0.43 1 36 LYS 5.81 -0.69 1 37 GLU 3.08 -0.41 1 38 THR 6.48 -0.47 1 39 LEU 4.93 -0.73 1 41 ASN 2.85 -0.27 1 42 SER 0.04 0.06 1 44 VAL -0.12 -0.55 1 45 LYS -0.24 -0.13 1 47 THR -2.83 0.40 1 48 SER 2.73 -0.29 1 49 ASN 0.34 -0.12 1 50 ALA -0.45 -0.47 1 52 TYR -3.64 0.55 1 53 HIS -2.12 0.24 1 54 LEU -1.54 0.63 1 55 VAL -2.69 0.35 1 56 LEU 2.17 0.13 1 57 VAL 3.24 -0.47 1 58 ARG -1.13 0.15 1 59 GLU -4.07 0.19 1 60 ASP -4.79 0.37 1 61 ASN -2.55 0.63 1 63 GLN -3.18 0.95 1 65 THR 1.14 0.03 1 66 VAL -0.59 -0.13 1 67 SER -1.20 -0.08 1 68 TYR -1.00 0.09 1 69 THR 0.24 -0.17 1 71 SER -0.04 -0.16 1 72 ALA 0.54 -0.17 1 73 ARG 0.27 -0.17 1 75 ALA -1.73 -0.04 1 77 PHE -4.73 0.49 1 78 GLU -5.55 0.60 1 79 LEU -2.59 0.83 1 80 THR -1.40 0.72 1 81 ASN -4.32 0.84 1 82 THR -2.70 0.87 1 83 ILE -3.71 0.73 1 84 ASN -1.63 0.47 1 85 TYR -6.34 1.18 1 86 GLU -6.51 0.65 1 87 ILE -0.86 0.99 1 88 VAL -3.46 0.62 1 90 ALA 0.32 -0.10 1 91 ASN 3.18 -0.57 1 92 ASP 3.25 -0.83 1 93 LEU -0.22 -0.17 1 94 VAL 3.64 -0.41 1 95 LEU 0.53 -0.18 1 96 MET -4.26 0.05 1 97 SER -2.20 0.37 1 98 ASN -4.62 -0.24 1 99 GLN -4.77 1.16 1 100 VAL -3.82 0.56 1 101 GLN -5.73 1.03 1 102 VAL -4.14 0.36 1 103 GLN -5.66 1.27 1 104 LYS -6.47 0.34 1 105 VAL -2.48 0.99 1 106 TYR -4.50 0.26 1 108 HIS -1.44 -0.21 1 109 ASP -2.02 -0.16 1 110 GLU 1.57 -0.44 1 111 ASN 0.70 -0.18 1 112 ASN 0.11 -0.14 1 113 LEU 2.25 -0.28 1 114 ILE 1.58 -0.18 1 116 SER 2.87 -0.20 1 117 ASP 3.27 -0.29 1 118 GLN 4.12 -0.33 1 119 GLU 2.87 -0.46 1 120 ALA 3.78 -0.73 1 121 ALA 3.78 -0.47 1 122 GLN 4.55 -0.37 1 123 LEU 3.36 -0.38 1 124 ARG 4.92 -0.46 1 125 SER 2.48 -0.42 1 130 ASP 3.15 -0.38 1 132 ILE 5.69 -0.73 1 133 GLN 5.26 -0.44 1 134 GLN 3.98 -0.44 1 135 LEU 3.61 -0.72 1 136 SER 5.33 -0.63 1 137 MET 3.92 -0.52 1 138 ARG 4.23 -0.39 1 139 LEU 2.66 -0.43 1 140 GLN 3.41 -1.00 1 141 ALA -0.45 -0.18 1 142 LEU -1.40 0.17 1 143 THR -1.83 0.17 1 145 ALA 3.53 -0.26 1 146 GLN 3.46 -0.38 1 147 LEU 4.87 -0.53 1 148 ASP 3.76 -0.20 1 149 GLU 3.27 -0.24 1 150 ALA 3.62 -0.18 1 151 GLN 5.19 -0.52 1 152 ARG 4.49 -0.32 1 153 GLN 4.51 -0.33 1 154 ALA 3.07 -0.17 1 155 GLU 3.34 -0.50 1 156 ALA 3.69 -0.25 1 157 LYS 4.11 -0.31 1 158 ALA 3.51 -0.23 1 159 LYS 3.05 -0.31 1 160 ALA 3.01 -0.22 1 161 GLU 1.94 -0.35 1 162 ALA 2.09 -0.22 1 163 GLU 0.90 -0.32 1 164 ALA 0.60 -0.16 1 165 LEU 0.34 -0.12 1 166 ARG 1.00 -0.30 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25869_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.51 _LACS_plot.Line_1_terminator_val_y_1 -2.99 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.71 _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 6.48 _LACS_plot.Line_2_terminator_val_y_2 2.71 _LACS_plot.Y_axis_chem_shift_offset 0.17 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 20 ILE -4.39 -5.56 0 155 GLU 3.34 5.02 0 125 SER 2.48 5.11 0 10 LEU 0.20 0.50 1 12 ASP 0.08 -0.29 1 13 ALA -0.20 -0.71 1 14 GLN -0.48 -0.39 1 15 PHE -0.28 -0.61 1 16 ALA -0.38 0.54 1 17 LEU 0.02 -1.88 1 18 LYS -0.19 0.28 1 19 GLU -5.66 -2.29 1 21 ASP -3.07 -0.56 1 22 VAL -1.95 -2.44 1 23 SER -2.97 -0.72 1 36 LYS 5.81 1.05 1 37 GLU 3.08 2.32 1 38 THR 6.48 2.38 1 39 LEU 4.93 1.77 1 41 ASN 2.85 1.36 1 42 SER 0.04 -1.04 1 44 VAL -0.12 -2.05 1 45 LYS -0.24 -1.34 1 46 VAL 0.69 0.19 1 47 THR -2.83 -1.50 1 50 ALA -0.45 -0.67 1 52 TYR -3.64 -1.65 1 53 HIS -2.12 -0.96 1 54 LEU -1.54 -3.89 1 55 VAL -2.69 0.13 1 56 LEU 2.17 -2.06 1 57 VAL 3.24 -0.36 1 58 ARG -1.13 -2.96 1 59 GLU -4.07 -2.35 1 60 ASP -4.79 -1.65 1 63 GLN -3.18 -1.99 1 65 THR 1.14 -0.43 1 66 VAL -0.59 -1.04 1 67 SER -1.20 -1.15 1 68 TYR -1.00 0.35 1 69 THR 0.24 0.54 1 71 SER -0.04 -0.27 1 72 ALA 0.54 -0.19 1 73 ARG 0.27 -0.22 1 77 PHE -4.73 -2.18 1 78 GLU -5.55 -1.04 1 79 LEU -2.59 -1.87 1 80 THR -1.40 -0.85 1 81 ASN -4.32 -1.89 1 82 THR -2.70 -0.37 1 83 ILE -3.71 -1.77 1 84 ASN -1.63 -1.23 1 85 TYR -6.34 -3.60 1 86 GLU -6.51 -1.13 1 87 ILE -0.86 -1.62 1 88 VAL -3.46 -0.11 1 90 ALA 0.32 0.87 1 91 ASN 3.18 -1.48 1 92 ASP 3.25 -1.27 1 93 LEU -0.22 -1.66 1 94 VAL 3.64 -0.31 1 95 LEU 0.53 -0.24 1 96 MET -4.26 -2.78 1 97 SER -2.20 -1.85 1 98 ASN -4.62 -3.11 1 99 GLN -4.77 -0.74 1 100 VAL -3.82 -2.67 1 101 GLN -5.73 -2.10 1 102 VAL -4.14 -3.73 1 103 GLN -5.66 -1.02 1 104 LYS -6.47 -2.36 1 105 VAL -2.48 -0.80 1 106 TYR -4.50 -3.59 1 108 HIS -1.44 -0.54 1 109 ASP -2.02 0.28 1 110 GLU 1.57 0.04 1 111 ASN 0.70 -0.24 1 112 ASN 0.11 -0.18 1 113 LEU 2.25 0.63 1 114 ILE 1.58 0.88 1 116 SER 2.87 0.74 1 117 ASP 3.27 2.26 1 118 GLN 4.12 0.12 1 119 GLU 2.87 1.93 1 120 ALA 3.78 1.39 1 121 ALA 3.78 -1.26 1 123 LEU 3.36 1.74 1 124 ARG 4.92 3.40 1 135 LEU 3.61 0.63 1 137 MET 3.92 3.33 1 138 ARG 4.23 3.58 1 139 LEU 2.66 1.35 1 140 GLN 3.41 -0.39 1 141 ALA -0.45 -0.02 1 142 LEU -1.40 -0.93 1 143 THR -1.83 0.29 1 146 GLN 3.46 3.93 1 147 LEU 4.87 0.46 1 148 ASP 3.76 3.04 1 149 GLU 3.27 1.81 1 150 ALA 3.62 3.04 1 151 GLN 5.19 1.51 1 152 ARG 4.49 4.37 1 153 GLN 4.51 2.81 1 154 ALA 3.07 3.42 1 156 ALA 3.69 3.13 1 157 LYS 4.11 1.96 1 162 ALA 2.09 2.71 1 163 GLU 0.90 -2.55 1 164 ALA 0.60 -1.42 1 165 LEU 0.34 1.41 1 166 ARG 1.00 2.06 1 stop_ save_