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 bmr5221_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.32 _LACS_plot.Line_1_terminator_val_y_1 -2.89 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.16 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.33 _LACS_plot.Line_2_terminator_val_x_2 9.84 _LACS_plot.Line_2_terminator_val_y_2 7.65 _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 184 ASP 9.84 1.61 0 34 GLU -0.15 0.10 1 35 ASP -0.35 0.02 1 70 ALA 4.15 3.51 1 71 GLU 2.69 2.27 1 72 ASN 2.59 2.99 1 73 PHE 3.59 3.43 1 74 ARG 4.63 4.44 1 75 VAL 5.43 4.38 1 76 LEU 3.35 3.33 1 77 VAL 4.35 2.14 1 78 LYS 3.46 3.04 1 79 GLN 1.12 0.20 1 80 LYS 4.48 0.99 1 81 LYS 0.43 0.47 1 82 ALA -4.69 -1.84 1 83 SER -1.45 -1.11 1 84 PHE 5.26 4.56 1 85 GLU 3.71 3.93 1 86 GLU 2.90 2.61 1 87 ALA 2.59 2.32 1 88 SER 4.17 3.50 1 89 ASN 4.59 2.83 1 90 GLN 3.60 2.95 1 91 LEU 3.20 3.18 1 92 ILE 5.81 5.02 1 93 ASN 4.30 3.39 1 94 HIS 4.40 5.21 1 95 ILE 6.09 5.34 1 96 GLU 4.57 3.98 1 97 GLN 4.43 3.34 1 98 PHE 2.00 -0.51 1 99 LEU 4.57 3.03 1 100 ASP 2.34 1.99 1 101 THR 2.06 2.48 1 102 ASN 1.38 1.39 1 103 GLU -3.44 0.50 1 106 TYR 4.66 3.69 1 107 PHE 3.12 0.12 1 108 MET 5.51 2.23 1 109 LYS 3.86 3.51 1 111 ILE 6.13 2.92 1 112 ASP 4.57 3.87 1 114 ILE 6.40 5.91 1 115 ARG 4.86 4.55 1 116 ALA 3.62 3.11 1 117 PHE 1.28 -0.31 1 118 ARG 4.35 4.39 1 119 GLU 2.11 2.67 1 120 GLU 1.84 1.00 1 121 ALA 4.19 3.35 1 122 ILE 5.34 5.12 1 123 LYS 3.73 3.17 1 124 PHE 2.34 1.04 1 125 SER 4.23 1.30 1 126 GLU -1.89 -2.28 1 127 GLU 4.88 3.41 1 128 GLN 4.64 3.43 1 129 ARG 3.63 3.51 1 130 PHE 5.32 4.45 1 131 ASN 4.53 2.43 1 132 ASN 4.04 2.56 1 133 PHE 4.17 2.32 1 134 LEU 3.93 2.38 1 135 LYS 4.31 3.81 1 136 ALA 3.50 2.09 1 137 LEU 3.63 2.28 1 138 GLN 5.10 3.77 1 139 GLU 2.77 2.55 1 140 LYS 3.26 2.76 1 141 VAL 6.11 4.34 1 142 GLU 3.40 2.56 1 143 ILE 3.94 3.33 1 144 LYS 0.55 0.06 1 145 GLN 4.50 1.00 1 146 LEU -1.76 -2.24 1 147 ASN 5.31 4.30 1 148 HIS 3.13 3.53 1 149 PHE 3.70 2.39 1 150 TRP 1.58 1.78 1 151 GLU 3.00 2.73 1 152 ILE 4.92 3.81 1 153 VAL 6.84 4.96 1 154 VAL 4.73 3.77 1 155 GLN 3.99 2.84 1 156 ASP 0.49 1.17 1 158 ILE 2.86 1.28 1 159 THR -6.32 -4.78 1 160 LEU -1.46 -0.37 1 161 ILE 0.52 0.82 1 162 THR -3.75 -0.81 1 163 LYS 2.13 1.63 1 164 GLU 2.37 1.90 1 165 GLU -1.98 0.72 1 166 ALA -2.76 -0.41 1 167 SER 3.12 2.73 1 169 SER -2.20 -2.18 1 170 SER -0.73 -0.39 1 171 VAL 0.80 0.77 1 172 THR -2.92 -1.24 1 173 ALA 4.16 3.13 1 174 GLU 3.83 3.20 1 175 GLU 2.48 2.50 1 176 ALA 2.80 2.29 1 177 LYS 3.54 2.89 1 178 LYS 2.86 2.07 1 179 PHE 4.18 3.25 1 180 LEU 6.31 4.44 1 183 LYS 0.04 -0.10 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5221_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.32 _LACS_plot.Line_1_terminator_val_y_1 3.43 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.84 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.67 _LACS_plot.Line_2_terminator_val_x_2 9.84 _LACS_plot.Line_2_terminator_val_y_2 -2.19 _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 184 ASP 9.84 -8.23 0 34 GLU -0.15 0.25 1 35 ASP -0.35 0.37 1 70 ALA 4.15 -0.64 1 71 GLU 2.69 -0.42 1 72 ASN 2.59 0.40 1 73 PHE 3.59 -0.16 1 74 ARG 4.63 -0.19 1 75 VAL 5.43 -1.05 1 76 LEU 3.35 -0.02 1 77 VAL 4.35 -2.21 1 78 LYS 3.46 -0.42 1 79 GLN 1.12 -0.92 1 80 LYS 4.48 -3.49 1 81 LYS 0.43 0.04 1 82 ALA -4.69 2.85 1 83 SER -1.45 0.34 1 84 PHE 5.26 -0.70 1 85 GLU 3.71 0.22 1 86 GLU 2.90 -0.29 1 87 ALA 2.59 -0.27 1 88 SER 4.17 -0.67 1 89 ASN 4.59 -1.76 1 90 GLN 3.60 -0.65 1 91 LEU 3.20 -0.02 1 92 ILE 5.81 -0.79 1 93 ASN 4.30 -0.91 1 94 HIS 4.40 0.81 1 95 ILE 6.09 -0.75 1 96 GLU 4.57 -0.59 1 97 GLN 4.43 -1.09 1 98 PHE 2.00 -2.51 1 99 LEU 4.57 -1.54 1 100 ASP 2.34 -0.35 1 101 THR 2.06 0.42 1 102 ASN 1.38 0.01 1 103 GLU -3.44 3.94 1 106 TYR 4.66 -0.97 1 107 PHE 3.12 -3.00 1 108 MET 5.51 -3.28 1 109 LYS 3.86 -0.35 1 111 ILE 6.13 -3.21 1 112 ASP 4.57 -0.70 1 114 ILE 6.40 -0.49 1 115 ARG 4.86 -0.31 1 116 ALA 3.62 -0.51 1 117 PHE 1.28 -1.59 1 118 ARG 4.35 0.04 1 119 GLU 2.11 0.56 1 120 GLU 1.84 -0.84 1 121 ALA 4.19 -0.84 1 122 ILE 5.34 -0.22 1 123 LYS 3.73 -0.56 1 124 PHE 2.34 -1.30 1 125 SER 4.23 -2.93 1 126 GLU -1.89 -0.39 1 127 GLU 4.88 -1.47 1 128 GLN 4.64 -1.21 1 129 ARG 3.63 -0.12 1 130 PHE 5.32 -0.87 1 131 ASN 4.53 -2.10 1 132 ASN 4.04 -1.48 1 133 PHE 4.17 -1.85 1 134 LEU 3.93 -1.55 1 135 LYS 4.31 -0.50 1 136 ALA 3.50 -1.41 1 137 LEU 3.63 -1.35 1 138 GLN 5.10 -1.33 1 139 GLU 2.77 -0.22 1 140 LYS 3.26 -0.50 1 141 VAL 6.11 -1.77 1 142 GLU 3.40 -0.84 1 143 ILE 3.94 -0.61 1 144 LYS 0.55 -0.49 1 145 GLN 4.50 -3.50 1 146 LEU -1.76 -0.48 1 147 ASN 5.31 -1.01 1 148 HIS 3.13 0.40 1 149 PHE 3.70 -1.31 1 150 TRP 1.58 0.20 1 151 GLU 3.00 -0.27 1 152 ILE 4.92 -1.11 1 153 VAL 6.84 -1.88 1 154 VAL 4.73 -0.96 1 155 GLN 3.99 -1.15 1 156 ASP 0.49 0.68 1 158 ILE 2.86 -1.58 1 159 THR -6.32 1.54 1 160 LEU -1.46 1.09 1 161 ILE 0.52 0.30 1 162 THR -3.75 2.94 1 163 LYS 2.13 -0.50 1 164 GLU 2.37 -0.47 1 165 GLU -1.98 2.70 1 166 ALA -2.76 2.35 1 167 SER 3.12 -0.39 1 169 SER -2.20 0.02 1 170 SER -0.73 0.34 1 171 VAL 0.80 -0.03 1 172 THR -2.92 1.68 1 173 ALA 4.16 -1.03 1 174 GLU 3.83 -0.63 1 175 GLU 2.48 0.02 1 176 ALA 2.80 -0.51 1 177 LYS 3.54 -0.65 1 178 LYS 2.86 -0.79 1 179 PHE 4.18 -0.93 1 180 LEU 6.31 -1.87 1 183 LYS 0.04 -0.14 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5221_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.32 _LACS_plot.Line_1_terminator_val_y_1 0.39 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.22 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.03 _LACS_plot.Line_2_terminator_val_x_2 9.84 _LACS_plot.Line_2_terminator_val_y_2 -0.69 _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 184 ASP 9.84 -0.30 0 159 THR -6.32 0.49 0 34 GLU -0.15 -0.10 1 35 ASP -0.35 0.03 1 70 ALA 4.15 -0.36 1 71 GLU 2.69 -0.24 1 72 ASN 2.59 -0.41 1 73 PHE 3.59 -0.58 1 74 ARG 4.63 -0.95 1 75 VAL 5.43 -0.54 1 76 LEU 3.35 -0.58 1 77 VAL 4.35 -0.33 1 78 LYS 3.46 -0.11 1 79 GLN 1.12 -0.02 1 80 LYS 4.48 -0.22 1 81 LYS 0.43 -0.10 1 82 ALA -4.69 0.11 1 83 SER -1.45 -0.06 1 84 PHE 5.26 -0.99 1 85 GLU 3.71 -0.69 1 86 GLU 2.90 -0.35 1 87 ALA 2.59 -0.46 1 88 SER 4.17 -0.06 1 89 ASN 4.59 -0.35 1 90 GLN 3.60 -0.36 1 91 LEU 3.20 -0.40 1 92 ILE 5.81 -0.91 1 93 ASN 4.30 -0.38 1 94 HIS 4.40 -0.75 1 95 ILE 6.09 -0.56 1 96 GLU 4.57 -0.58 1 97 GLN 4.43 -0.29 1 98 PHE 2.00 -0.06 1 99 LEU 4.57 -0.22 1 100 ASP 2.34 -0.05 1 101 THR 2.06 -0.29 1 102 ASN 1.38 -0.12 1 103 GLU -3.44 -0.02 1 106 TYR 4.66 -0.52 1 107 PHE 3.12 0.12 1 108 MET 5.51 0.01 1 109 LYS 3.86 -0.04 1 111 ILE 6.13 -0.26 1 112 ASP 4.57 -0.14 1 114 ILE 6.40 -0.38 1 115 ARG 4.86 -0.44 1 116 ALA 3.62 -0.02 1 117 PHE 1.28 -0.08 1 119 GLU 2.11 -0.45 1 120 GLU 1.84 0.42 1 121 ALA 4.19 -0.36 1 122 ILE 5.34 -0.57 1 123 LYS 3.73 -0.38 1 124 PHE 2.34 -0.09 1 125 SER 4.23 -0.01 1 126 GLU -1.89 0.28 1 127 GLU 4.88 -0.54 1 128 GLN 4.64 -0.22 1 129 ARG 3.63 -0.12 1 130 PHE 5.32 -1.03 1 131 ASN 4.53 -0.56 1 132 ASN 4.04 -0.34 1 133 PHE 4.17 -0.14 1 134 LEU 3.93 -1.00 1 135 LYS 4.31 -0.19 1 136 ALA 3.50 -0.16 1 137 LEU 3.63 -0.44 1 139 GLU 2.77 -0.48 1 140 LYS 3.26 -0.29 1 141 VAL 6.11 -0.66 1 142 GLU 3.40 -0.31 1 143 ILE 3.94 -0.30 1 144 LYS 0.55 -0.05 1 145 GLN 4.50 -0.33 1 146 LEU -1.76 0.62 1 147 ASN 5.31 -0.44 1 148 HIS 3.13 -0.11 1 149 PHE 3.70 -0.68 1 150 TRP 1.58 -0.80 1 151 GLU 3.00 -0.50 1 152 ILE 4.92 -0.62 1 153 VAL 6.84 -0.26 1 154 VAL 4.73 -0.77 1 155 GLN 3.99 -0.41 1 156 ASP 0.49 -0.09 1 158 ILE 2.86 -0.50 1 160 LEU -1.46 -0.24 1 161 ILE 0.52 0.00 1 162 THR -3.75 0.18 1 163 LYS 2.13 0.30 1 164 GLU 2.37 -0.30 1 165 GLU -1.98 -0.22 1 166 ALA -2.76 0.21 1 167 SER 3.12 -0.13 1 169 SER -2.20 0.04 1 170 SER -0.73 0.15 1 171 VAL 0.80 -0.08 1 172 THR -2.92 -0.14 1 173 ALA 4.16 -0.16 1 174 GLU 3.83 -0.32 1 175 GLU 2.48 -0.39 1 176 ALA 2.80 -0.36 1 177 LYS 3.54 -0.13 1 178 LYS 2.86 -0.26 1 179 PHE 4.18 -0.36 1 180 LEU 6.31 -0.03 1 183 LYS 0.04 -0.03 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5221_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.32 _LACS_plot.Line_1_terminator_val_y_1 -0.76 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.63 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.58 _LACS_plot.Line_2_terminator_val_x_2 6.83 _LACS_plot.Line_2_terminator_val_y_2 2.75 _LACS_plot.Y_axis_chem_shift_offset -1.06 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 158 ILE 2.86 -4.35 0 34 GLU -0.15 -0.24 1 35 ASP -0.35 0.31 1 70 ALA 4.15 1.24 1 71 GLU 2.69 2.84 1 72 ASN 2.59 1.52 1 73 PHE 3.59 -0.50 1 74 ARG 4.63 2.66 1 75 VAL 5.43 1.90 1 76 LEU 3.35 2.60 1 77 VAL 4.35 2.77 1 78 LYS 3.46 2.33 1 79 GLN 1.12 -0.17 1 80 LYS 4.48 0.01 1 81 LYS 0.43 -0.11 1 82 ALA -4.69 -1.23 1 83 SER -1.45 -0.18 1 84 PHE 5.26 4.00 1 85 GLU 3.71 0.16 1 86 GLU 2.90 2.98 1 87 ALA 2.59 2.94 1 88 SER 4.17 1.07 1 89 ASN 4.59 3.61 1 90 GLN 3.60 2.64 1 91 LEU 3.20 1.00 1 92 ILE 5.81 1.10 1 93 ASN 4.30 3.23 1 94 HIS 4.40 2.81 1 95 ILE 6.09 1.41 1 96 GLU 4.57 2.57 1 97 GLN 4.43 4.15 1 98 PHE 2.00 4.29 1 99 LEU 4.57 2.10 1 100 ASP 2.34 1.79 1 101 THR 2.06 2.08 1 102 ASN 1.38 -0.72 1 103 GLU -3.44 2.01 1 106 TYR 4.66 3.99 1 107 PHE 3.12 3.65 1 108 MET 5.51 3.68 1 109 LYS 3.86 3.70 1 111 ILE 6.13 1.56 1 112 ASP 4.57 4.00 1 114 ILE 6.40 1.32 1 115 ARG 4.86 2.55 1 116 ALA 3.62 1.52 1 117 PHE 1.28 1.72 1 118 ARG 4.35 1.31 1 119 GLU 2.11 4.94 1 120 GLU 1.84 2.75 1 121 ALA 4.19 2.80 1 122 ILE 5.34 2.94 1 123 LYS 3.73 2.18 1 124 PHE 2.34 -1.19 1 125 SER 4.23 0.95 1 126 GLU -1.89 0.69 1 127 GLU 4.88 1.51 1 128 GLN 4.64 2.13 1 129 ARG 3.63 4.13 1 130 PHE 5.32 0.19 1 131 ASN 4.53 2.82 1 132 ASN 4.04 3.64 1 133 PHE 4.17 0.47 1 134 LEU 3.93 1.91 1 135 LYS 4.31 2.66 1 136 ALA 3.50 3.11 1 137 LEU 3.63 0.49 1 138 GLN 5.10 1.95 1 139 GLU 2.77 2.22 1 140 LYS 3.26 2.02 1 141 VAL 6.11 1.86 1 142 GLU 3.40 3.84 1 143 ILE 3.94 2.31 1 144 LYS 0.55 -1.32 1 145 GLN 4.50 0.95 1 146 LEU -1.76 0.92 1 147 ASN 5.31 2.04 1 148 HIS 3.13 3.90 1 149 PHE 3.70 0.69 1 150 TRP 1.58 0.65 1 151 GLU 3.00 2.46 1 152 ILE 4.92 1.66 1 153 VAL 6.84 1.52 1 154 VAL 4.73 4.41 1 155 GLN 3.99 2.18 1 156 ASP 0.49 0.97 1 159 THR -6.32 0.16 1 160 LEU -1.46 -1.06 1 161 ILE 0.52 2.61 1 162 THR -3.75 1.20 1 163 LYS 2.13 1.24 1 164 GLU 2.37 1.48 1 165 GLU -1.98 0.19 1 167 SER 3.12 1.02 1 170 SER -0.73 0.37 1 171 VAL 0.80 0.23 1 172 THR -2.92 1.24 1 173 ALA 4.16 3.19 1 174 GLU 3.83 2.75 1 175 GLU 2.48 3.29 1 176 ALA 2.80 2.36 1 177 LYS 3.54 3.04 1 178 LYS 2.86 1.96 1 179 PHE 4.18 0.33 1 180 LEU 6.31 0.05 1 183 LYS 0.04 -0.68 1 stop_ save_