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 bmr17428_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.32 _LACS_plot.Line_1_terminator_val_y_1 -2.42 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.88 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.16 _LACS_plot.Line_2_terminator_val_x_2 7.53 _LACS_plot.Line_2_terminator_val_y_2 5.58 _LACS_plot.Y_axis_chem_shift_offset -0.21 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 170 THR -1.38 -3.20 0 65 ILE -1.75 -3.44 0 38 VAL 1.17 1.09 1 39 GLN -0.05 -0.38 1 40 ALA 0.03 0.01 1 41 TRP -0.30 0.65 1 46 GLU 2.83 2.47 1 47 LYS 2.68 2.40 1 49 ILE 1.89 2.47 1 50 ALA -0.75 0.48 1 51 GLN -1.93 -0.85 1 52 SER -2.00 -0.64 1 54 ASP -2.32 -1.22 1 55 TYR -5.14 -0.70 1 56 LYS -0.60 0.06 1 57 ALA -3.46 -0.93 1 58 ALA -1.95 -0.93 1 59 TYR -4.61 -3.56 1 60 LEU 2.96 1.63 1 62 SER -3.87 -2.04 1 63 MET -5.73 -1.36 1 64 LEU 0.89 1.15 1 66 LYS 2.68 2.40 1 67 GLU -2.80 -1.75 1 68 LEU 0.43 -0.25 1 69 ARG -0.73 -1.15 1 71 THR 5.19 3.83 1 72 GLU 3.77 3.41 1 74 THR 6.12 4.30 1 75 GLN 6.05 4.78 1 76 ASP 2.36 3.46 1 77 ALA 2.69 2.82 1 79 ALA 3.98 2.82 1 81 MET 3.75 1.80 1 82 ARG 5.37 4.95 1 83 ALA 3.63 2.35 1 84 ASN 2.68 2.69 1 86 GLN 1.36 1.03 1 87 LYS 0.81 1.00 1 89 THR 2.85 1.96 1 90 GLU 1.42 1.53 1 91 GLN 2.29 1.96 1 92 MET 2.03 1.33 1 93 LYS 1.28 1.00 1 94 LYS 0.34 0.06 1 95 VAL 0.45 0.20 1 97 THR 1.44 1.02 1 98 ILE -6.39 -2.50 1 99 ILE -0.97 -1.02 1 100 LEU -3.02 -1.19 1 101 SER -1.99 -1.10 1 102 VAL -0.70 0.15 1 103 SER -5.28 -1.10 1 104 ALA 1.91 1.41 1 105 LYS 0.81 1.00 1 107 VAL -4.46 -1.73 1 108 LYS -5.29 -1.82 1 109 PHE -4.79 -3.78 1 110 ILE -4.45 -2.03 1 111 ASP -0.91 1.59 1 112 ALA 2.64 2.33 1 113 THR 3.31 2.89 1 114 ASN -0.13 0.35 1 115 LYS 5.96 1.46 1 116 ASN 0.33 -0.12 1 117 ILE 2.08 1.25 1 118 ILE 1.67 1.71 1 122 GLU -0.45 0.13 1 123 ILE 1.14 1.25 1 124 ARG 3.49 1.66 1 125 ASN -1.54 -0.59 1 126 ILE -0.27 0.78 1 127 SER -3.41 -0.64 1 129 ALA -0.05 0.15 1 130 ALA -3.66 -0.06 1 131 GLN -5.21 -0.85 1 132 ASP -1.46 -0.16 1 134 GLU -0.92 0.13 1 135 ASP 0.02 -0.29 1 136 LEU 2.30 2.56 1 137 SER 2.69 2.65 1 138 THR 1.91 1.49 1 139 PHE -4.57 -2.38 1 141 TYR -2.81 -0.82 1 142 ILE -2.14 -1.56 1 144 LYS -1.54 -0.41 1 145 ASP -2.32 -0.29 1 146 LEU 2.70 2.09 1 147 LYS 2.21 1.93 1 148 SER -1.06 0.30 1 149 ASN 2.20 1.28 1 150 HIS -3.74 -0.09 1 151 HIS -2.00 1.35 1 152 TYR -5.61 -1.17 1 154 HIS -3.03 0.32 1 155 VAL -1.17 -0.79 1 156 PHE -7.32 -2.38 1 157 THR -1.38 0.04 1 158 ALA -3.61 -1.61 1 159 PHE 4.31 2.77 1 160 ASP -3.72 -0.75 1 161 VAL 4.50 3.43 1 162 ASN 4.08 3.16 1 163 LEU 2.70 2.09 1 164 ALA 3.31 3.28 1 165 ALA 4.55 3.28 1 166 GLU 3.30 2.94 1 167 ILE 7.54 5.39 1 168 ILE 4.88 2.18 1 169 LEU 3.63 3.09 1 171 LEU 4.01 3.16 1 173 GLN 4.17 2.90 1 174 ALA 4.97 3.28 1 175 PHE 3.76 3.54 1 176 GLU 3.30 2.94 1 177 VAL 5.39 4.37 1 178 ALA 3.61 3.28 1 179 TYR 3.80 2.98 1 180 GLN 4.17 2.90 1 181 LEU 2.77 2.56 1 182 ALA 2.84 1.60 1 183 LEU 2.11 1.80 1 184 GLN 1.83 1.50 1 185 ALA 0.80 0.36 1 186 ARG 0.21 0.26 1 187 LYS -0.13 0.06 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17428_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.32 _LACS_plot.Line_1_terminator_val_y_1 4.90 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.12 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.84 _LACS_plot.Line_2_terminator_val_x_2 7.53 _LACS_plot.Line_2_terminator_val_y_2 -1.95 _LACS_plot.Y_axis_chem_shift_offset -0.21 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 170 THR -1.38 -1.82 0 65 ILE -1.75 -1.69 0 38 VAL 1.17 -0.08 1 39 GLN -0.05 -0.33 1 40 ALA 0.03 -0.02 1 41 TRP -0.30 0.95 1 46 GLU 2.83 -0.36 1 47 LYS 2.68 -0.28 1 49 ILE 1.89 0.58 1 50 ALA -0.75 1.23 1 51 GLN -1.93 1.08 1 52 SER -2.00 1.36 1 54 ASP -2.32 1.10 1 55 TYR -5.14 4.44 1 56 LYS -0.60 0.66 1 57 ALA -3.46 2.53 1 58 ALA -1.95 1.02 1 59 TYR -4.61 1.05 1 60 LEU 2.96 -1.33 1 62 SER -3.87 1.83 1 63 MET -5.73 4.37 1 64 LEU 0.89 0.26 1 66 LYS 2.68 -0.28 1 67 GLU -2.80 1.05 1 68 LEU 0.43 -0.68 1 69 ARG -0.73 -0.42 1 71 THR 5.19 -1.36 1 72 GLU 3.77 -0.36 1 74 THR 6.12 -1.82 1 75 GLN 6.05 -1.27 1 76 ASP 2.36 1.10 1 77 ALA 2.69 0.13 1 79 ALA 3.98 -1.16 1 81 MET 3.75 -1.95 1 82 ARG 5.37 -0.42 1 83 ALA 3.63 -1.28 1 84 ASN 2.68 0.01 1 86 GLN 1.36 -0.33 1 87 LYS 0.81 0.19 1 89 THR 2.85 -0.89 1 90 GLU 1.42 0.11 1 91 GLN 2.29 -0.33 1 92 MET 2.03 -0.70 1 93 LYS 1.28 -0.28 1 94 LYS 0.34 -0.28 1 95 VAL 0.45 -0.25 1 97 THR 1.44 -0.42 1 98 ILE -6.39 3.89 1 99 ILE -0.97 -0.05 1 100 LEU -3.02 1.83 1 101 SER -1.99 0.89 1 102 VAL -0.70 0.85 1 103 SER -5.28 4.18 1 104 ALA 1.91 -0.50 1 105 LYS 0.81 0.19 1 107 VAL -4.46 2.73 1 108 LYS -5.29 3.47 1 109 PHE -4.79 1.01 1 110 ILE -4.45 2.42 1 111 ASP -0.91 2.50 1 112 ALA 2.64 -0.31 1 113 THR 3.31 -0.42 1 114 ASN -0.13 0.48 1 115 LYS 5.96 -4.50 1 116 ASN 0.33 -0.45 1 117 ILE 2.08 -0.83 1 118 ILE 1.67 0.04 1 122 GLU -0.45 0.58 1 123 ILE 1.14 0.11 1 124 ARG 3.49 -1.83 1 125 ASN -1.54 0.95 1 126 ILE -0.27 1.05 1 127 SER -3.41 2.77 1 129 ALA -0.05 0.20 1 130 ALA -3.66 3.60 1 131 GLN -5.21 4.36 1 132 ASP -1.46 1.30 1 134 GLU -0.92 1.05 1 135 ASP 0.02 -0.31 1 136 LEU 2.30 0.26 1 137 SER 2.69 -0.04 1 138 THR 1.91 -0.42 1 139 PHE -4.57 2.19 1 141 TYR -2.81 1.99 1 142 ILE -2.14 0.58 1 144 LYS -1.54 1.13 1 145 ASP -2.32 2.03 1 146 LEU 2.70 -0.61 1 147 LYS 2.21 -0.28 1 148 SER -1.06 1.36 1 149 ASN 2.20 -0.92 1 150 HIS -3.74 3.65 1 151 HIS -2.00 3.35 1 152 TYR -5.61 4.44 1 154 HIS -3.03 3.35 1 155 VAL -1.17 0.38 1 156 PHE -7.32 4.94 1 157 THR -1.38 1.42 1 158 ALA -3.61 2.00 1 159 PHE 4.31 -1.54 1 160 ASP -3.72 2.97 1 161 VAL 4.50 -1.07 1 162 ASN 4.08 -0.92 1 163 LEU 2.70 -0.61 1 164 ALA 3.31 -0.03 1 165 ALA 4.55 -1.27 1 166 GLU 3.30 -0.36 1 167 ILE 7.54 -2.15 1 168 ILE 4.88 -2.70 1 169 LEU 3.63 -0.54 1 171 LEU 4.01 -0.85 1 173 GLN 4.17 -1.27 1 174 ALA 4.97 -1.69 1 175 PHE 3.76 -0.22 1 176 GLU 3.30 -0.36 1 177 VAL 5.39 -1.02 1 178 ALA 3.61 -0.33 1 179 TYR 3.80 -0.82 1 180 GLN 4.17 -1.27 1 181 LEU 2.77 -0.21 1 182 ALA 2.84 -1.24 1 183 LEU 2.11 -0.31 1 184 GLN 1.83 -0.33 1 185 ALA 0.80 -0.44 1 186 ARG 0.21 0.05 1 187 LYS -0.13 0.19 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17428_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.32 _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 -0.19 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.20 _LACS_plot.Line_2_terminator_val_x_2 7.53 _LACS_plot.Line_2_terminator_val_y_2 -0.72 _LACS_plot.Y_axis_chem_shift_offset -0.01 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 138 THR 1.91 1.02 0 38 VAL 1.17 -0.15 1 39 GLN -0.05 -0.15 1 40 ALA 0.03 -0.12 1 41 TRP -0.30 -0.31 1 46 GLU 2.83 -0.23 1 49 ILE 1.89 -0.35 1 50 ALA -0.75 0.12 1 51 GLN -1.93 0.23 1 52 SER -2.00 -0.08 1 55 TYR -5.14 0.18 1 56 LYS -0.60 0.87 1 57 ALA -3.46 0.41 1 58 ALA -1.95 0.86 1 59 TYR -4.61 0.46 1 60 LEU 2.96 -0.42 1 62 SER -3.87 1.32 1 63 MET -5.73 0.24 1 64 LEU 0.89 -0.55 1 65 ILE -1.75 0.02 1 66 LYS 2.68 -0.27 1 67 GLU -2.80 0.04 1 68 LEU 0.43 -0.40 1 69 ARG -0.73 0.21 1 71 THR 5.19 -0.29 1 72 GLU 3.77 -0.22 1 74 THR 6.12 -0.30 1 75 GLN 6.05 -0.58 1 76 ASP 2.36 -0.28 1 77 ALA 2.69 -0.33 1 79 ALA 3.98 -0.32 1 81 MET 3.75 -0.27 1 82 ARG 5.37 -0.48 1 83 ALA 3.63 -0.58 1 84 ASN 2.68 -0.27 1 86 GLN 1.36 -0.11 1 89 THR 2.85 -0.05 1 90 GLU 1.42 -0.20 1 91 GLN 2.29 -0.20 1 92 MET 2.03 -0.13 1 93 LYS 1.28 -0.09 1 94 LYS 0.34 0.01 1 95 VAL 0.45 -0.06 1 97 THR 1.44 0.48 1 99 ILE -0.97 0.57 1 100 LEU -3.02 0.51 1 101 SER -1.99 0.94 1 102 VAL -0.70 0.37 1 103 SER -5.28 0.37 1 104 ALA 1.91 -0.17 1 105 LYS 0.81 -0.04 1 107 VAL -4.46 0.88 1 108 LYS -5.29 0.70 1 109 PHE -4.79 1.08 1 110 ILE -4.45 0.67 1 111 ASP -0.91 -0.08 1 112 ALA 2.64 -0.35 1 113 THR 3.31 -0.16 1 114 ASN -0.13 0.00 1 116 ASN 0.33 -0.15 1 117 ILE 2.08 -0.14 1 118 ILE 1.67 -0.25 1 122 GLU -0.45 0.17 1 123 ILE 1.14 -0.15 1 124 ARG 3.49 0.00 1 125 ASN -1.54 0.41 1 126 ILE -0.27 0.90 1 127 SER -3.41 0.21 1 129 ALA -0.05 0.11 1 130 ALA -3.66 0.36 1 131 GLN -5.21 0.59 1 134 GLU -0.92 -0.13 1 135 ASP 0.02 -0.10 1 136 LEU 2.30 0.05 1 137 SER 2.69 -0.18 1 139 PHE -4.57 0.85 1 141 TYR -2.81 0.37 1 142 ILE -2.14 1.20 1 144 LYS -1.54 0.14 1 145 ASP -2.32 0.14 1 146 LEU 2.70 -0.19 1 147 LYS 2.21 -0.06 1 149 ASN 2.20 -0.35 1 150 HIS -3.74 0.20 1 151 HIS -2.00 0.59 1 152 TYR -5.61 0.46 1 154 HIS -3.03 -0.03 1 155 VAL -1.17 0.23 1 156 PHE -7.32 0.80 1 157 THR -1.38 0.80 1 158 ALA -3.61 0.40 1 159 PHE 4.31 -0.33 1 160 ASP -3.72 0.20 1 161 VAL 4.50 -0.53 1 162 ASN 4.08 -0.26 1 163 LEU 2.70 -0.13 1 164 ALA 3.31 -1.01 1 165 ALA 4.55 -0.61 1 166 GLU 3.30 -0.46 1 167 ILE 7.54 -1.39 1 168 ILE 4.88 -0.63 1 169 LEU 3.63 -0.15 1 170 THR -1.38 -0.62 1 171 LEU 4.01 -0.60 1 174 ALA 4.97 -0.61 1 175 PHE 3.76 -0.53 1 176 GLU 3.30 -0.12 1 177 VAL 5.39 -0.44 1 178 ALA 3.61 -0.32 1 179 TYR 3.80 -0.36 1 180 GLN 4.17 -0.43 1 181 LEU 2.77 -0.24 1 182 ALA 2.84 -0.18 1 183 LEU 2.11 -0.26 1 184 GLN 1.83 -0.19 1 185 ALA 0.80 -0.07 1 186 ARG 0.21 -0.08 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17428_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.32 _LACS_plot.Line_1_terminator_val_y_1 -2.51 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.67 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.74 _LACS_plot.Line_2_terminator_val_x_2 7.53 _LACS_plot.Line_2_terminator_val_y_2 2.54 _LACS_plot.Y_axis_chem_shift_offset 0.03 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 127 SER -3.41 6.14 0 154 HIS -3.03 6.68 0 38 VAL 1.17 -0.13 1 39 GLN -0.05 0.23 1 40 ALA 0.03 -0.53 1 41 TRP -0.30 1.67 1 46 GLU 2.83 1.57 1 47 LYS 2.68 -0.12 1 49 ILE 1.89 -0.02 1 50 ALA -0.75 -0.31 1 51 GLN -1.93 -2.37 1 52 SER -2.00 -0.82 1 55 TYR -5.14 -0.11 1 56 LYS -0.60 -0.81 1 57 ALA -3.46 -3.29 1 58 ALA -1.95 -0.96 1 60 LEU 2.96 -1.62 1 63 MET -5.73 -2.16 1 64 LEU 0.89 -1.74 1 65 ILE -1.75 -1.52 1 66 LYS 2.68 -0.33 1 67 GLU -2.80 -2.64 1 68 LEU 0.43 -0.73 1 69 ARG -0.73 -0.19 1 71 THR 5.19 1.93 1 72 GLU 3.77 3.38 1 74 THR 6.12 1.27 1 75 GLN 6.05 2.48 1 76 ASP 2.36 1.18 1 77 ALA 2.69 1.97 1 79 ALA 3.98 -4.29 1 81 MET 3.75 3.23 1 82 ARG 5.37 2.58 1 83 ALA 3.63 2.37 1 84 ASN 2.68 1.88 1 90 GLU 1.42 1.06 1 91 GLN 2.29 1.28 1 92 MET 2.03 0.87 1 93 LYS 1.28 0.08 1 94 LYS 0.34 -0.26 1 95 VAL 0.45 -0.69 1 97 THR 1.44 -0.02 1 99 ILE -0.97 -1.02 1 100 LEU -3.02 -2.62 1 101 SER -1.99 -0.19 1 102 VAL -0.70 -2.41 1 103 SER -5.28 -1.41 1 104 ALA 1.91 -1.09 1 105 LYS 0.81 0.43 1 110 ILE -4.45 -1.15 1 111 ASP -0.91 1.27 1 112 ALA 2.64 0.25 1 113 THR 3.31 0.89 1 115 LYS 5.96 -1.69 1 116 ASN 0.33 -0.20 1 117 ILE 2.08 0.17 1 118 ILE 1.67 -0.53 1 122 GLU -0.45 2.45 1 123 ILE 1.14 -0.31 1 124 ARG 3.49 0.28 1 125 ASN -1.54 -0.61 1 126 ILE -0.27 -1.17 1 129 ALA -0.05 0.30 1 130 ALA -3.66 -2.08 1 131 GLN -5.21 -0.73 1 132 ASP -1.46 0.22 1 134 GLU -0.92 0.08 1 135 ASP 0.02 -1.53 1 136 LEU 2.30 -0.46 1 137 SER 2.69 -0.49 1 138 THR 1.91 5.99 1 139 PHE -4.57 3.41 1 141 TYR -2.81 4.53 1 142 ILE -2.14 -0.19 1 144 LYS -1.54 -0.66 1 145 ASP -2.32 0.10 1 146 LEU 2.70 0.95 1 147 LYS 2.21 0.58 1 149 ASN 2.20 -1.00 1 150 HIS -3.74 -0.20 1 151 HIS -2.00 -0.41 1 152 TYR -5.61 -2.37 1 155 VAL -1.17 -2.88 1 156 PHE -7.32 -0.92 1 157 THR -1.38 -0.60 1 158 ALA -3.61 -0.63 1 159 PHE 4.31 -1.10 1 160 ASP -3.72 0.23 1 161 VAL 4.50 0.56 1 162 ASN 4.08 3.05 1 163 LEU 2.70 0.40 1 164 ALA 3.31 0.37 1 165 ALA 4.55 2.36 1 166 GLU 3.30 2.64 1 167 ILE 7.54 1.02 1 168 ILE 4.88 2.98 1 169 LEU 3.63 2.26 1 170 THR -1.38 1.39 1 171 LEU 4.01 0.74 1 173 GLN 4.17 1.89 1 174 ALA 4.97 1.19 1 175 PHE 3.76 2.33 1 176 GLU 3.30 2.65 1 177 VAL 5.39 1.77 1 178 ALA 3.61 2.98 1 179 TYR 3.80 1.75 1 180 GLN 4.17 3.39 1 181 LEU 2.77 2.00 1 182 ALA 2.84 2.07 1 183 LEU 2.11 1.57 1 184 GLN 1.83 0.59 1 185 ALA 0.80 0.05 1 186 ARG 0.21 -0.17 1 187 LYS -0.13 -0.37 1 stop_ save_