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 bmr25562_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.07 _LACS_plot.Line_1_terminator_val_y_1 -2.64 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.04 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.88 _LACS_plot.Line_2_terminator_val_x_2 3.60 _LACS_plot.Line_2_terminator_val_y_2 2.25 _LACS_plot.Y_axis_chem_shift_offset -0.24 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 159 HIS -1.71 2.34 0 41 ILE 1.39 -1.85 0 10 PHE -0.10 0.03 1 11 THR -0.05 0.18 1 13 LYS -0.18 0.02 1 14 GLU -0.24 0.27 1 16 SER -0.31 0.08 1 18 TYR -0.03 0.19 1 19 GLU -2.12 -0.93 1 20 ALA -0.09 0.07 1 22 VAL -0.19 -0.06 1 23 TYR -0.80 -0.28 1 24 ILE -0.97 -0.67 1 26 GLU -0.10 0.43 1 27 ASP 0.22 0.14 1 28 ILE -0.79 -0.31 1 30 ILE -4.20 -1.19 1 32 ALA 1.91 1.70 1 33 ASP 1.33 0.27 1 34 PHE -5.98 -1.78 1 35 GLU -6.05 -2.16 1 36 LEU -2.27 -1.61 1 37 ARG -2.32 -0.75 1 38 GLU 2.28 2.60 1 39 SER -2.14 -1.97 1 40 SER 1.81 2.36 1 44 ALA 1.04 1.70 1 46 LEU -0.55 0.64 1 48 VAL -1.02 0.04 1 49 TRP -3.01 -1.92 1 50 ALA 0.16 1.04 1 51 LYS 0.57 -0.11 1 52 ARG -4.05 -2.30 1 53 LYS 0.01 0.01 1 54 MET -3.87 -1.54 1 55 GLU -4.08 -1.77 1 56 ALA 2.85 1.25 1 58 GLU 1.54 2.44 1 59 ARG -4.40 -1.12 1 60 LEU -4.16 -1.14 1 64 VAL -0.03 -0.01 1 65 VAL -0.79 -0.32 1 66 VAL -0.71 -0.11 1 68 ARG -0.17 0.20 1 69 ALA -0.28 0.05 1 70 ALA -0.51 0.00 1 71 ALA -0.52 0.03 1 72 LYS -0.23 0.14 1 73 GLU 0.26 0.56 1 74 THR -0.25 -0.09 1 75 ASP 0.08 0.29 1 76 PHE 0.59 0.50 1 78 TRP 0.11 0.26 1 79 GLU 0.22 0.64 1 80 GLN 0.24 0.50 1 81 ILE 0.37 0.32 1 82 LEU 0.06 0.06 1 83 THR -0.16 0.05 1 84 ASP 0.21 0.40 1 85 VAL -0.01 0.14 1 86 GLU -0.66 0.05 1 87 VAL -0.25 -0.01 1 88 SER -0.28 -0.11 1 90 GLN 0.20 0.50 1 91 GLU 0.13 0.47 1 94 ILE 0.29 0.36 1 95 THR 0.41 0.42 1 96 LYS -0.24 0.11 1 97 ILE 0.12 0.26 1 98 SER 0.00 0.23 1 99 GLU -0.35 0.39 1 100 ASP -0.03 0.16 1 101 LEU 0.85 0.61 1 103 SER 0.24 0.47 1 104 GLU 0.29 0.60 1 105 LYS 0.37 0.45 1 106 PHE -0.27 0.05 1 108 VAL 0.14 0.31 1 109 ASP -0.38 0.14 1 110 ALA 0.79 0.86 1 111 ASN 0.61 0.70 1 112 GLN 0.57 0.64 1 113 ALA 0.61 0.83 1 115 ALA 0.82 1.02 1 117 SER 2.10 2.09 1 118 TRP 2.42 0.69 1 119 LEU 3.25 2.29 1 120 LYS 2.97 1.45 1 121 TYR 1.56 1.51 1 122 ILE 3.61 2.26 1 124 VAL -1.07 -1.20 1 125 ALA -1.67 -0.70 1 127 SER -3.39 -1.71 1 129 ASP 2.71 2.46 1 130 ASP -0.96 -0.28 1 131 GLN 1.10 0.63 1 132 ASN -0.32 0.29 1 133 LEU -6.66 -1.41 1 134 THR -3.87 -2.13 1 135 MET -1.97 0.23 1 137 GLN -2.44 -0.83 1 138 ILE -1.38 -0.08 1 139 SER 3.25 1.32 1 140 GLU 2.44 0.98 1 141 GLN -4.07 -0.91 1 142 ILE -1.06 -1.23 1 143 TYR -4.78 -1.25 1 144 TYR -3.97 -2.39 1 145 LYS -4.88 -1.59 1 146 VAL 1.92 1.08 1 147 ILE -0.36 0.44 1 148 LYS -3.59 -1.39 1 149 ASP 1.91 1.63 1 150 ILE -1.94 0.36 1 151 GLU -0.26 -0.38 1 154 GLU -2.81 -0.85 1 155 GLU 0.39 -0.57 1 156 LEU 1.87 1.24 1 157 LEU -7.07 -1.43 1 158 VAL -5.90 -3.32 1 160 VAL -1.25 -0.48 1 161 LYS 0.57 0.65 1 162 GLU 0.02 0.44 1 164 VAL -0.18 -0.02 1 165 TYR -0.52 -0.26 1 167 LEU 0.81 0.69 1 169 THR -0.15 0.20 1 170 VAL -0.21 0.05 1 174 LEU -0.01 0.20 1 175 ASP 0.01 0.26 1 176 GLU -0.20 1.46 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25562_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.07 _LACS_plot.Line_1_terminator_val_y_1 4.43 _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 1.12 _LACS_plot.Line_2_terminator_val_x_2 3.60 _LACS_plot.Line_2_terminator_val_y_2 -1.35 _LACS_plot.Y_axis_chem_shift_offset -0.24 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 159 HIS -1.71 4.05 0 41 ILE 1.39 -3.24 0 10 PHE -0.10 0.13 1 11 THR -0.05 0.23 1 13 LYS -0.18 0.20 1 14 GLU -0.24 0.51 1 16 SER -0.31 0.39 1 18 TYR -0.03 0.22 1 19 GLU -2.12 1.19 1 20 ALA -0.09 0.16 1 22 VAL -0.19 0.13 1 23 TYR -0.80 0.52 1 24 ILE -0.97 0.30 1 26 GLU -0.10 0.53 1 27 ASP 0.22 -0.08 1 28 ILE -0.79 0.48 1 30 ILE -4.20 3.01 1 32 ALA 1.91 -0.21 1 33 ASP 1.33 -1.06 1 34 PHE -5.98 4.20 1 35 GLU -6.05 3.89 1 36 LEU -2.27 0.66 1 37 ARG -2.32 1.57 1 38 GLU 2.28 0.32 1 39 SER -2.14 0.17 1 40 SER 1.81 0.55 1 44 ALA 1.04 0.66 1 46 LEU -0.55 1.19 1 48 VAL -1.02 1.06 1 49 TRP -3.01 1.09 1 50 ALA 0.16 0.88 1 51 LYS 0.57 -0.68 1 52 ARG -4.05 1.75 1 53 LYS 0.01 0.00 1 54 MET -3.87 2.33 1 55 GLU -4.08 2.31 1 56 ALA 2.85 -1.60 1 58 GLU 1.54 0.90 1 59 ARG -4.40 3.28 1 60 LEU -4.16 3.02 1 64 VAL -0.03 0.02 1 65 VAL -0.79 0.47 1 66 VAL -0.71 0.60 1 68 ARG -0.17 0.37 1 69 ALA -0.28 0.33 1 70 ALA -0.51 0.51 1 71 ALA -0.52 0.55 1 72 LYS -0.23 0.37 1 73 GLU 0.26 0.30 1 74 THR -0.25 0.16 1 75 ASP 0.08 0.21 1 76 PHE 0.59 -0.09 1 78 TRP 0.11 0.15 1 79 GLU 0.22 0.42 1 80 GLN 0.24 0.26 1 81 ILE 0.37 -0.05 1 82 LEU 0.06 0.00 1 83 THR -0.16 0.21 1 84 ASP 0.21 0.19 1 85 VAL -0.01 0.15 1 86 GLU -0.66 0.71 1 87 VAL -0.25 0.24 1 88 SER -0.28 0.17 1 90 GLN 0.20 0.30 1 91 GLU 0.13 0.34 1 94 ILE 0.29 0.07 1 95 THR 0.41 0.01 1 96 LYS -0.24 0.35 1 97 ILE 0.12 0.14 1 98 SER 0.00 0.23 1 99 GLU -0.35 0.74 1 100 ASP -0.03 0.19 1 101 LEU 0.85 -0.24 1 103 SER 0.24 0.23 1 104 GLU 0.29 0.31 1 105 LYS 0.37 0.08 1 106 PHE -0.27 0.32 1 108 VAL 0.14 0.17 1 109 ASP -0.38 0.52 1 110 ALA 0.79 0.07 1 111 ASN 0.61 0.09 1 112 GLN 0.57 0.07 1 113 ALA 0.61 0.22 1 115 ALA 0.82 0.20 1 117 SER 2.10 -0.01 1 118 TRP 2.42 -1.73 1 119 LEU 3.25 -0.96 1 120 LYS 2.97 -1.52 1 121 TYR 1.56 -0.05 1 122 ILE 3.61 -1.35 1 124 VAL -1.07 -0.13 1 125 ALA -1.67 0.97 1 127 SER -3.39 1.68 1 129 ASP 2.71 -0.25 1 130 ASP -0.96 0.68 1 131 GLN 1.10 -0.47 1 132 ASN -0.32 0.61 1 133 LEU -6.66 5.25 1 134 THR -3.87 1.74 1 135 MET -1.97 2.20 1 137 GLN -2.44 1.61 1 138 ILE -1.38 1.30 1 139 SER 3.25 -1.93 1 140 GLU 2.44 -1.46 1 141 GLN -4.07 3.16 1 142 ILE -1.06 -0.17 1 143 TYR -4.78 3.53 1 144 TYR -3.97 1.58 1 145 LYS -4.88 3.29 1 146 VAL 1.92 -0.84 1 147 ILE -0.36 0.80 1 148 LYS -3.59 2.20 1 149 ASP 1.91 -0.28 1 150 ILE -1.94 2.30 1 151 GLU -0.26 -0.12 1 154 GLU -2.81 1.96 1 155 GLU 0.39 -0.96 1 156 LEU 1.87 -0.63 1 157 LEU -7.07 5.64 1 158 VAL -5.90 2.58 1 160 VAL -1.25 0.77 1 161 LYS 0.57 0.08 1 162 GLU 0.02 0.42 1 164 VAL -0.18 0.16 1 165 TYR -0.52 0.26 1 167 LEU 0.81 -0.12 1 169 THR -0.15 0.35 1 170 VAL -0.21 0.26 1 174 LEU -0.01 0.21 1 175 ASP 0.01 0.25 1 176 GLU -0.20 1.66 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25562_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.07 _LACS_plot.Line_1_terminator_val_y_1 0.49 _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 0.08 _LACS_plot.Line_2_terminator_val_x_2 3.60 _LACS_plot.Line_2_terminator_val_y_2 -0.34 _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 157 LEU -7.07 1.38 0 36 LEU -2.27 1.30 0 10 PHE -0.10 0.01 1 11 THR -0.05 -0.12 1 13 LYS -0.18 -0.05 1 14 GLU -0.24 -0.09 1 16 SER -0.31 -0.02 1 18 TYR -0.03 -0.06 1 19 GLU -2.12 -0.14 1 20 ALA -0.09 -0.17 1 22 VAL -0.19 -0.10 1 23 TYR -0.80 0.07 1 24 ILE -0.97 -0.08 1 26 GLU -0.10 -0.16 1 27 ASP 0.22 -0.05 1 28 ILE -0.79 0.01 1 30 ILE -4.20 -0.18 1 32 ALA 1.91 -0.21 1 33 ASP 1.33 -0.58 1 34 PHE -5.98 0.70 1 35 GLU -6.05 0.40 1 37 ARG -2.32 0.10 1 38 GLU 2.28 -0.31 1 39 SER -2.14 -0.63 1 44 ALA 1.04 -0.14 1 46 LEU -0.55 -0.23 1 48 VAL -1.02 0.64 1 49 TRP -3.01 0.36 1 50 ALA 0.16 0.28 1 51 LYS 0.57 0.18 1 52 ARG -4.05 0.26 1 53 LYS 0.01 0.31 1 54 MET -3.87 0.28 1 55 GLU -4.08 0.14 1 56 ALA 2.85 -0.73 1 58 GLU 1.54 -0.14 1 59 ARG -4.40 1.11 1 60 LEU -4.16 0.68 1 64 VAL -0.03 0.02 1 65 VAL -0.79 0.02 1 66 VAL -0.71 -0.05 1 68 ARG -0.17 -0.12 1 69 ALA -0.28 -0.08 1 70 ALA -0.51 -0.08 1 71 ALA -0.52 -0.04 1 72 LYS -0.23 -0.03 1 73 GLU 0.26 -0.20 1 74 THR -0.25 -0.11 1 75 ASP 0.08 -0.11 1 76 PHE 0.59 -0.13 1 78 TRP 0.11 -0.08 1 79 GLU 0.22 -0.25 1 80 GLN 0.24 -0.12 1 81 ILE 0.37 -0.04 1 82 LEU 0.06 0.09 1 83 THR -0.16 -0.12 1 84 ASP 0.21 -0.02 1 85 VAL -0.01 -0.01 1 86 GLU -0.66 -0.06 1 87 VAL -0.25 0.01 1 88 SER -0.28 -0.44 1 90 GLN 0.20 -0.07 1 91 GLU 0.13 -0.10 1 94 ILE 0.29 0.07 1 95 THR 0.41 -0.04 1 96 LYS -0.24 0.05 1 97 ILE 0.12 0.01 1 98 SER 0.00 -0.03 1 99 GLU -0.35 -0.08 1 100 ASP -0.03 -0.05 1 101 LEU 0.85 -0.06 1 103 SER 0.24 -0.07 1 104 GLU 0.29 -0.11 1 105 LYS 0.37 -0.10 1 106 PHE -0.27 0.02 1 108 VAL 0.14 -0.05 1 109 ASP -0.38 -0.06 1 110 ALA 0.79 -0.11 1 111 ASN 0.61 -0.09 1 112 GLN 0.57 -0.06 1 113 ALA 0.61 -0.03 1 115 ALA 0.82 -0.03 1 117 SER 2.10 -0.19 1 118 TRP 2.42 -0.37 1 119 LEU 3.25 -1.16 1 120 LYS 2.97 -0.33 1 121 TYR 1.56 -0.40 1 122 ILE 3.61 -0.32 1 124 VAL -1.07 0.23 1 125 ALA -1.67 -0.16 1 127 SER -3.39 0.12 1 129 ASP 2.71 -0.25 1 130 ASP -0.96 -0.05 1 131 GLN 1.10 -0.56 1 132 ASN -0.32 -0.12 1 133 LEU -6.66 0.71 1 134 THR -3.87 0.08 1 135 MET -1.97 0.68 1 137 GLN -2.44 0.96 1 138 ILE -1.38 0.09 1 139 SER 3.25 -0.51 1 140 GLU 2.44 -0.37 1 141 GLN -4.07 0.30 1 142 ILE -1.06 0.52 1 143 TYR -4.78 0.29 1 144 TYR -3.97 0.98 1 145 LYS -4.88 0.87 1 146 VAL 1.92 0.34 1 147 ILE -0.36 0.39 1 148 LYS -3.59 0.22 1 149 ASP 1.91 -0.02 1 150 ILE -1.94 0.03 1 151 GLU -0.26 -0.10 1 154 GLU -2.81 0.51 1 155 GLU 0.39 -0.80 1 156 LEU 1.87 0.00 1 158 VAL -5.90 0.80 1 159 HIS -1.71 -0.06 1 160 VAL -1.25 0.01 1 161 LYS 0.57 -0.12 1 162 GLU 0.02 -0.13 1 164 VAL -0.18 -0.09 1 165 TYR -0.52 0.00 1 167 LEU 0.81 -0.07 1 169 THR -0.15 -0.22 1 170 VAL -0.21 -0.10 1 174 LEU -0.01 0.02 1 175 ASP 0.01 -0.04 1 176 GLU -0.20 -0.24 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25562_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.05 _LACS_plot.Line_1_terminator_val_y_1 -1.82 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.11 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.82 _LACS_plot.Line_2_terminator_val_x_2 3.60 _LACS_plot.Line_2_terminator_val_y_2 0.46 _LACS_plot.Y_axis_chem_shift_offset 0.37 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 176 GLU -0.20 4.44 0 10 PHE -0.10 -0.34 1 11 THR -0.05 -0.90 1 13 LYS -0.18 0.06 1 14 GLU -0.24 0.25 1 16 SER -0.31 -0.02 1 18 TYR -0.03 -0.56 1 19 GLU -2.12 -1.73 1 20 ALA -0.09 -0.52 1 22 VAL -0.19 -0.84 1 23 TYR -0.80 -1.29 1 24 ILE -0.97 -1.00 1 26 GLU -0.10 -0.45 1 27 ASP 0.22 -0.64 1 28 ILE -0.79 -1.13 1 30 ILE -4.20 -1.80 1 32 ALA 1.91 -0.19 1 33 ASP 1.33 -3.30 1 34 PHE -5.98 -3.10 1 35 GLU -6.05 -2.31 1 36 LEU -2.27 -0.84 1 37 ARG -2.32 -0.62 1 38 GLU 2.28 -0.53 1 40 SER 1.81 0.68 1 44 ALA 1.04 -0.27 1 46 LEU -0.55 -0.99 1 48 VAL -1.02 -2.34 1 49 TRP -3.01 0.23 1 50 ALA 0.16 2.53 1 51 LYS 0.57 -1.70 1 52 ARG -4.05 -3.77 1 53 LYS 0.01 0.88 1 54 MET -3.87 -1.53 1 55 GLU -4.08 -0.57 1 56 ALA 2.85 0.35 1 58 GLU 1.54 -1.66 1 59 ARG -4.40 -0.71 1 60 LEU -4.16 -2.01 1 65 VAL -0.79 -0.94 1 66 VAL -0.71 -0.88 1 68 ARG -0.17 0.04 1 69 ALA -0.28 -0.54 1 70 ALA -0.51 -0.37 1 71 ALA -0.52 -0.30 1 72 LYS -0.23 0.10 1 73 GLU 0.26 0.02 1 74 THR -0.25 -0.59 1 75 ASP 0.08 -0.41 1 76 PHE 0.59 0.40 1 78 TRP 0.11 0.29 1 79 GLU 0.22 -0.35 1 80 GLN 0.24 -0.28 1 81 ILE 0.37 -0.30 1 82 LEU 0.06 -0.36 1 83 THR -0.16 -0.60 1 84 ASP 0.21 -0.26 1 85 VAL -0.01 -0.31 1 86 GLU -0.66 -0.39 1 87 VAL -0.25 -0.32 1 88 SER -0.28 -0.23 1 90 GLN 0.20 0.14 1 91 GLU 0.13 0.43 1 94 ILE 0.29 -0.04 1 95 THR 0.41 -0.59 1 96 LYS -0.24 -0.37 1 97 ILE 0.12 -0.16 1 98 SER 0.00 -0.05 1 99 GLU -0.35 -0.55 1 100 ASP -0.03 0.03 1 101 LEU 0.85 0.56 1 103 SER 0.24 0.19 1 104 GLU 0.29 -0.11 1 105 LYS 0.37 -0.45 1 106 PHE -0.27 -0.40 1 108 VAL 0.14 -0.63 1 109 ASP -0.38 0.05 1 110 ALA 0.79 0.21 1 111 ASN 0.61 0.46 1 112 GLN 0.57 0.07 1 113 ALA 0.61 0.54 1 115 ALA 0.82 0.44 1 117 SER 2.10 0.96 1 118 TRP 2.42 -0.12 1 119 LEU 3.25 1.16 1 120 LYS 2.97 -0.27 1 121 TYR 1.56 -2.10 1 122 ILE 3.61 0.58 1 124 VAL -1.07 -0.29 1 125 ALA -1.67 -0.23 1 127 SER -3.39 -0.03 1 130 ASP -0.96 -0.77 1 131 GLN 1.10 -0.80 1 134 THR -3.87 -1.82 1 135 MET -1.97 -1.06 1 137 GLN -2.44 -0.58 1 138 ILE -1.38 -0.31 1 140 GLU 2.44 -1.36 1 141 GLN -4.07 -1.98 1 142 ILE -1.06 -1.76 1 143 TYR -4.78 -0.90 1 144 TYR -3.97 -0.68 1 145 LYS -4.88 -1.31 1 146 VAL 1.92 2.42 1 147 ILE -0.36 -1.73 1 148 LYS -3.59 -4.83 1 149 ASP 1.91 0.06 1 150 ILE -1.94 -0.85 1 151 GLU -0.26 -1.57 1 154 GLU -2.81 -1.94 1 155 GLU 0.39 -0.04 1 156 LEU 1.87 -2.99 1 158 VAL -5.90 -0.61 1 161 LYS 0.57 -0.33 1 162 GLU 0.02 0.17 1 164 VAL -0.18 -1.13 1 165 TYR -0.52 -0.66 1 167 LEU 0.81 0.27 1 169 THR -0.15 -0.58 1 170 VAL -0.21 -0.92 1 174 LEU -0.01 -0.59 1 175 ASP 0.01 -1.23 1 stop_ save_