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 bmr27526_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -4.77 _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 0.46 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.83 _LACS_plot.Line_2_terminator_val_x_2 9.03 _LACS_plot.Line_2_terminator_val_y_2 6.07 _LACS_plot.Y_axis_chem_shift_offset 0.39 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 116 SER -0.88 3.35 0 10 ILE 0.99 -0.24 1 11 ALA 1.00 0.15 1 13 GLN 0.32 -0.28 1 14 SER -0.17 -0.25 1 15 ALA 0.50 -0.11 1 17 SER 0.03 -0.03 1 19 SER -0.21 -0.23 1 20 ALA 0.32 -0.26 1 21 GLN -0.10 -0.63 1 22 LEU 0.78 -0.10 1 24 GLN 2.61 1.45 1 25 GLU 2.20 1.18 1 26 GLU 2.68 1.69 1 27 LYS 4.43 2.73 1 28 ALA 2.95 1.51 1 29 LYS 3.56 2.01 1 30 ILE 4.92 3.38 1 31 ALA 4.44 2.59 1 32 GLU 2.75 2.04 1 33 GLN 4.05 2.00 1 34 VAL 6.64 4.44 1 35 GLU 4.41 2.57 1 36 ILE 5.31 3.49 1 37 PHE 6.13 4.43 1 38 HIS 3.87 4.22 1 39 GLN 5.09 2.89 1 40 GLU 2.92 1.55 1 41 LYS 4.71 2.93 1 42 SER 4.37 3.23 1 43 LYS 4.00 2.57 1 44 LEU 5.20 2.48 1 45 ASP 4.39 2.85 1 46 ALA 2.78 1.42 1 47 GLU 2.05 1.18 1 48 VAL 4.46 2.36 1 49 ALA 2.15 0.95 1 50 LYS 2.59 1.04 1 53 ASP 0.35 -0.31 1 54 SER 2.80 1.65 1 57 ASP 2.64 1.95 1 58 ILE 7.83 5.05 1 59 ILE 4.51 1.27 1 60 VAL 6.24 4.70 1 61 LEU 2.95 2.11 1 62 ALA 4.39 2.75 1 63 LYS 5.08 3.75 1 64 GLN 4.92 3.16 1 65 MET 4.25 4.31 1 67 MET 4.71 3.11 1 68 ILE 5.64 3.81 1 69 MET 2.82 5.17 1 70 MET 4.22 2.87 1 71 GLU 4.60 2.98 1 72 MET 4.14 4.71 1 73 THR 6.02 3.85 1 74 ASP 6.29 3.27 1 75 PHE 5.09 3.22 1 76 THR 4.13 2.72 1 77 ARG -0.73 -2.21 1 79 LYS -4.77 -2.48 1 82 LEU 3.46 -0.76 1 83 LYS -0.63 -0.44 1 84 ASN -3.00 -1.76 1 85 THR 5.84 4.29 1 87 ASP 2.73 2.53 1 88 VAL 6.71 4.09 1 89 ILE 5.17 3.79 1 90 ASN 4.12 2.89 1 91 ALA 4.10 2.48 1 92 ALA 4.93 2.27 1 93 LYS 5.01 3.20 1 94 LYS 4.31 2.86 1 95 ILE 6.40 3.54 1 96 ALA 4.20 2.29 1 97 GLU 3.75 2.42 1 98 ALA 4.37 2.47 1 100 SER 3.90 2.74 1 101 ARG 4.79 3.24 1 102 MET 4.41 3.60 1 103 ASP 2.55 3.30 1 104 LYS 4.73 3.35 1 105 LEU 1.85 1.90 1 106 ALA 2.83 1.90 1 107 ARG 5.38 3.59 1 108 ALA 3.97 2.07 1 109 VAL 5.84 3.57 1 110 ALA 4.90 2.78 1 111 ASP 3.27 2.61 1 112 GLN 0.39 -0.69 1 117 ALA 4.36 2.44 1 119 LYS 4.50 3.81 1 120 GLN 4.54 2.51 1 121 ASP 4.28 2.55 1 122 LEU 4.27 2.83 1 123 LEU 5.35 2.83 1 124 ALA 4.60 2.21 1 125 TYR 4.19 1.40 1 126 LEU 4.99 2.19 1 127 GLN 4.98 2.81 1 128 ARG 4.37 2.95 1 129 ILE 6.50 4.06 1 130 ALA 4.66 2.71 1 131 LEU 3.72 2.55 1 132 TYR 4.52 2.83 1 134 HIS 4.69 4.50 1 135 GLN 5.11 3.40 1 136 LEU 3.92 2.80 1 137 ASN 3.55 3.27 1 138 ILE 5.06 2.77 1 140 SER 3.13 2.35 1 141 LYS 1.42 0.00 1 142 VAL 1.45 0.37 1 143 LYS 0.62 -0.25 1 144 ALA -0.04 -0.39 1 145 GLU -0.61 -0.56 1 146 VAL 0.68 -0.17 1 147 GLN -0.44 -0.37 1 148 ASN 0.06 -0.36 1 149 LEU 0.87 -0.23 1 152 GLU -0.78 -0.78 1 153 LEU 0.60 -0.45 1 154 ILE -0.24 -0.88 1 155 VAL 0.44 -0.54 1 156 SER -0.81 -0.38 1 158 LEU 2.32 1.19 1 159 ASP 2.77 1.80 1 160 SER 2.75 1.57 1 161 ALA 3.38 2.54 1 162 THR 6.55 4.45 1 163 SER 4.54 3.39 1 164 LEU 5.21 3.90 1 165 ILE 5.54 3.85 1 166 GLN 4.70 3.03 1 167 ALA 4.99 2.69 1 168 ALA 4.48 2.03 1 169 LYS 6.66 4.04 1 170 ASN 6.10 2.14 1 171 LEU 5.46 2.41 1 173 ASN 3.55 3.98 1 174 ALA 3.75 2.42 1 175 VAL 7.41 5.03 1 176 VAL 7.50 5.10 1 177 LEU 5.93 2.25 1 178 THR 9.04 6.47 1 179 VAL 7.75 5.55 1 180 LYS 5.20 3.76 1 181 ALA 2.61 1.80 1 182 SER 3.35 4.68 1 183 TYR 5.75 2.37 1 184 VAL 6.35 4.19 1 187 THR 3.63 2.64 1 188 LYS 2.62 0.63 1 189 TYR 2.74 2.37 1 190 GLN 2.47 1.41 1 191 LYS 2.43 1.09 1 192 VAL 1.59 0.78 1 193 TYR 0.72 0.34 1 195 THR 0.67 -0.06 1 196 ALA 0.07 -0.48 1 197 ALA 0.41 -0.20 1 198 VAL 1.14 -0.12 1 199 ASN -0.18 -0.53 1 200 SER -1.17 -2.07 1 207 MET 0.92 0.47 1 208 LYS 1.31 0.32 1 209 ALA 0.28 0.78 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27526_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -4.77 _LACS_plot.Line_1_terminator_val_y_1 2.35 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.54 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.17 _LACS_plot.Line_2_terminator_val_x_2 9.03 _LACS_plot.Line_2_terminator_val_y_2 -2.96 _LACS_plot.Y_axis_chem_shift_offset 0.39 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 116 SER -0.88 4.23 0 10 ILE 0.99 -1.23 1 11 ALA 1.00 -0.85 1 13 GLN 0.32 -0.60 1 14 SER -0.17 -0.08 1 15 ALA 0.50 -0.61 1 17 SER 0.03 -0.06 1 19 SER -0.21 -0.02 1 20 ALA 0.32 -0.58 1 21 GLN -0.10 -0.53 1 22 LEU 0.78 -0.88 1 24 GLN 2.61 -1.16 1 25 GLU 2.20 -1.02 1 26 GLU 2.68 -0.99 1 27 LYS 4.43 -1.70 1 28 ALA 2.95 -1.44 1 29 LYS 3.56 -1.55 1 30 ILE 4.92 -1.54 1 31 ALA 4.44 -1.85 1 32 GLU 2.75 -0.71 1 33 GLN 4.05 -2.05 1 34 VAL 6.64 -2.20 1 35 GLU 4.41 -1.84 1 36 ILE 5.31 -1.82 1 37 PHE 6.13 -1.70 1 38 HIS 3.87 0.35 1 39 GLN 5.09 -2.20 1 40 GLU 2.92 -1.37 1 41 LYS 4.71 -1.78 1 42 SER 4.37 -1.14 1 43 LYS 4.00 -1.43 1 44 LEU 5.20 -2.72 1 45 ASP 4.39 -1.54 1 46 ALA 2.78 -1.36 1 47 GLU 2.05 -0.87 1 48 VAL 4.46 -2.10 1 49 ALA 2.15 -1.20 1 50 LYS 2.59 -1.55 1 53 ASP 0.35 -0.66 1 54 SER 2.80 -1.15 1 57 ASP 2.64 -0.69 1 58 ILE 7.83 -2.78 1 59 ILE 4.51 -3.24 1 60 VAL 6.24 -1.54 1 61 LEU 2.95 -0.84 1 62 ALA 4.39 -1.64 1 63 LYS 5.08 -1.33 1 64 GLN 4.92 -1.76 1 65 MET 4.25 0.06 1 67 MET 4.71 -1.60 1 68 ILE 5.64 -1.83 1 69 MET 2.82 2.35 1 70 MET 4.22 -1.35 1 71 GLU 4.60 -1.62 1 72 MET 4.14 0.57 1 73 THR 6.02 -2.17 1 74 ASP 6.29 -3.02 1 75 PHE 5.09 -1.87 1 76 THR 4.13 -1.41 1 77 ARG -0.73 -1.48 1 79 LYS -4.77 2.29 1 82 LEU 3.46 -4.22 1 83 LYS -0.63 0.19 1 84 ASN -3.00 1.24 1 85 THR 5.84 -1.55 1 87 ASP 2.73 -0.20 1 88 VAL 6.71 -2.62 1 89 ILE 5.17 -1.38 1 90 ASN 4.12 -1.23 1 91 ALA 4.10 -1.62 1 92 ALA 4.93 -2.66 1 93 LYS 5.01 -1.81 1 94 LYS 4.31 -1.45 1 95 ILE 6.40 -2.86 1 96 ALA 4.20 -1.91 1 97 GLU 3.75 -1.33 1 98 ALA 4.37 -1.90 1 100 SER 3.90 -1.16 1 101 ARG 4.79 -1.55 1 102 MET 4.41 -0.81 1 103 ASP 2.55 0.75 1 104 LYS 4.73 -1.38 1 105 LEU 1.85 0.05 1 106 ALA 2.83 -0.93 1 107 ARG 5.38 -1.79 1 108 ALA 3.97 -1.90 1 109 VAL 5.84 -2.27 1 110 ALA 4.90 -2.12 1 111 ASP 3.27 -0.66 1 112 GLN 0.39 -1.08 1 117 ALA 4.36 -1.92 1 119 LYS 4.50 -0.69 1 120 GLN 4.54 -2.03 1 121 ASP 4.28 -1.73 1 122 LEU 4.27 -1.44 1 123 LEU 5.35 -2.52 1 124 ALA 4.60 -2.39 1 125 TYR 4.19 -2.79 1 126 LEU 4.99 -2.80 1 127 GLN 4.98 -2.17 1 128 ARG 4.37 -1.42 1 129 ILE 6.50 -2.44 1 130 ALA 4.66 -1.95 1 131 LEU 3.72 -1.17 1 132 TYR 4.52 -1.69 1 134 HIS 4.69 -0.19 1 135 GLN 5.11 -1.71 1 136 LEU 3.92 -1.12 1 137 ASN 3.55 -0.28 1 138 ILE 5.06 -2.29 1 140 SER 3.13 -0.78 1 141 LYS 1.42 -1.42 1 142 VAL 1.45 -1.08 1 143 LYS 0.62 -0.87 1 144 ALA -0.04 -0.35 1 145 GLU -0.61 0.05 1 146 VAL 0.68 -0.85 1 147 GLN -0.44 0.07 1 148 ASN 0.06 -0.42 1 149 LEU 0.87 -1.10 1 152 GLU -0.78 0.00 1 153 LEU 0.60 -1.05 1 154 ILE -0.24 -0.64 1 155 VAL 0.44 -0.98 1 156 SER -0.81 0.43 1 158 LEU 2.32 -1.13 1 159 ASP 2.77 -0.97 1 160 SER 2.75 -1.18 1 161 ALA 3.38 -0.84 1 162 THR 6.55 -2.10 1 163 SER 4.54 -1.15 1 164 LEU 5.21 -1.31 1 165 ILE 5.54 -1.69 1 166 GLN 4.70 -1.67 1 167 ALA 4.99 -2.30 1 168 ALA 4.48 -2.45 1 169 LYS 6.66 -2.62 1 170 ASN 6.10 -3.96 1 171 LEU 5.46 -3.05 1 173 ASN 3.55 0.43 1 174 ALA 3.75 -1.33 1 175 VAL 7.41 -2.38 1 176 VAL 7.50 -2.40 1 177 LEU 5.93 -3.68 1 178 THR 9.04 -2.57 1 179 VAL 7.75 -2.20 1 180 LYS 5.20 -1.44 1 181 ALA 2.61 -0.81 1 182 SER 3.35 1.33 1 183 TYR 5.75 -3.38 1 184 VAL 6.35 -2.16 1 187 THR 3.63 -0.99 1 188 LYS 2.62 -1.99 1 189 TYR 2.74 -0.37 1 190 GLN 2.47 -1.06 1 191 LYS 2.43 -1.34 1 192 VAL 1.59 -0.81 1 193 TYR 0.72 -0.38 1 195 THR 0.67 -0.73 1 196 ALA 0.07 -0.55 1 197 ALA 0.41 -0.61 1 198 VAL 1.14 -1.26 1 199 ASN -0.18 -0.35 1 200 SER -1.17 -0.90 1 207 MET 0.92 -0.45 1 208 LYS 1.31 -0.99 1 209 ALA 0.28 0.50 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27526_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -4.77 _LACS_plot.Line_1_terminator_val_y_1 -2.11 _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 -0.40 _LACS_plot.Line_2_terminator_val_x_2 7.83 _LACS_plot.Line_2_terminator_val_y_2 3.12 _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 209 ALA 0.28 4.57 0 79 LYS -4.77 0.33 0 182 SER 3.35 6.04 0 10 ILE 0.99 0.03 1 11 ALA 1.00 0.68 1 13 GLN 0.32 0.28 1 14 SER -0.17 -0.08 1 15 ALA 0.50 0.52 1 17 SER 0.03 0.72 1 19 SER -0.21 -0.17 1 20 ALA 0.32 -0.31 1 21 GLN -0.10 -0.19 1 22 LEU 0.78 -0.47 1 24 GLN 2.61 1.34 1 25 GLU 2.20 1.43 1 26 GLU 2.68 1.50 1 27 LYS 4.43 2.27 1 28 ALA 2.95 2.12 1 29 LYS 3.56 3.05 1 30 ILE 4.92 1.14 1 31 ALA 4.44 2.58 1 32 GLU 2.75 2.46 1 33 GLN 4.05 3.19 1 34 VAL 6.64 1.20 1 35 GLU 4.41 2.75 1 36 ILE 5.31 2.81 1 37 PHE 6.13 1.22 1 38 HIS 3.87 4.27 1 40 GLU 2.92 2.25 1 41 LYS 4.71 1.84 1 42 SER 4.37 2.47 1 43 LYS 4.00 2.98 1 44 LEU 5.20 1.13 1 45 ASP 4.39 2.50 1 46 ALA 2.78 1.77 1 47 GLU 2.05 2.22 1 48 VAL 4.46 1.60 1 49 ALA 2.15 0.50 1 50 LYS 2.59 0.47 1 53 ASP 0.35 0.94 1 54 SER 2.80 0.76 1 57 ASP 2.64 2.38 1 58 ILE 7.83 0.65 1 59 ILE 4.51 1.32 1 61 LEU 2.95 1.37 1 62 ALA 4.39 1.96 1 63 LYS 5.08 3.04 1 64 GLN 4.92 2.98 1 65 MET 4.25 1.15 1 67 MET 4.71 2.70 1 68 ILE 5.64 2.87 1 69 MET 2.82 2.93 1 70 MET 4.22 1.53 1 71 GLU 4.60 4.34 1 72 MET 4.14 0.85 1 74 ASP 6.29 2.96 1 75 PHE 5.09 3.14 1 76 THR 4.13 -0.02 1 77 ARG -0.73 -0.25 1 82 LEU 3.46 -1.58 1 83 LYS -0.63 0.32 1 84 ASN -3.00 -0.06 1 87 ASP 2.73 2.63 1 88 VAL 6.71 0.99 1 89 ILE 5.17 2.73 1 90 ASN 4.12 2.53 1 91 ALA 4.10 0.92 1 92 ALA 4.93 2.87 1 93 LYS 5.01 3.15 1 94 LYS 4.31 4.32 1 95 ILE 6.40 0.69 1 96 ALA 4.20 2.98 1 97 GLU 3.75 2.89 1 98 ALA 4.37 2.18 1 100 SER 3.90 2.71 1 101 ARG 4.79 2.64 1 102 MET 4.41 0.92 1 103 ASP 2.55 0.39 1 104 LYS 4.73 3.69 1 105 LEU 1.85 0.99 1 106 ALA 2.83 1.82 1 107 ARG 5.38 1.97 1 108 ALA 3.97 3.10 1 109 VAL 5.84 3.10 1 110 ALA 4.90 1.66 1 111 ASP 3.27 1.72 1 112 GLN 0.39 -0.73 1 116 SER -0.88 1.32 1 117 ALA 4.36 1.97 1 119 LYS 4.50 0.37 1 120 GLN 4.54 3.15 1 121 ASP 4.28 0.13 1 122 LEU 4.27 0.64 1 123 LEU 5.35 2.64 1 124 ALA 4.60 4.24 1 125 TYR 4.19 3.40 1 126 LEU 4.99 3.62 1 127 GLN 4.98 2.93 1 128 ARG 4.37 1.49 1 129 ILE 6.50 1.60 1 130 ALA 4.66 3.08 1 131 LEU 3.72 2.13 1 132 TYR 4.52 3.31 1 134 HIS 4.69 3.75 1 135 GLN 5.11 2.69 1 136 LEU 3.92 1.00 1 137 ASN 3.55 2.71 1 138 ILE 5.06 2.60 1 140 SER 3.13 -1.35 1 141 LYS 1.42 0.17 1 142 VAL 1.45 -0.08 1 143 LYS 0.62 -0.45 1 144 ALA -0.04 -0.30 1 145 GLU -0.61 -0.23 1 146 VAL 0.68 -0.06 1 147 GLN -0.44 -0.64 1 148 ASN 0.06 0.08 1 149 LEU 0.87 0.35 1 152 GLU -0.78 -0.80 1 153 LEU 0.60 -0.78 1 154 ILE -0.24 -0.39 1 155 VAL 0.44 -0.38 1 156 SER -0.81 0.44 1 158 LEU 2.32 0.44 1 159 ASP 2.77 1.53 1 160 SER 2.75 1.89 1 161 ALA 3.38 1.41 1 163 SER 4.54 1.81 1 164 LEU 5.21 0.36 1 165 ILE 5.54 1.40 1 166 GLN 4.70 2.18 1 167 ALA 4.99 1.77 1 168 ALA 4.48 0.86 1 169 LYS 6.66 1.90 1 170 ASN 6.10 2.81 1 171 LEU 5.46 0.15 1 173 ASN 3.55 0.97 1 174 ALA 3.75 2.75 1 175 VAL 7.41 1.12 1 176 VAL 7.50 1.54 1 177 LEU 5.93 2.09 1 179 VAL 7.75 1.20 1 180 LYS 5.20 2.68 1 181 ALA 2.61 2.92 1 183 TYR 5.75 2.22 1 184 VAL 6.35 2.90 1 187 THR 3.63 1.85 1 188 LYS 2.62 1.23 1 189 TYR 2.74 0.47 1 190 GLN 2.47 1.32 1 191 LYS 2.43 0.71 1 192 VAL 1.59 0.31 1 193 TYR 0.72 0.89 1 195 THR 0.67 0.02 1 196 ALA 0.07 -0.40 1 197 ALA 0.41 0.09 1 198 VAL 1.14 -0.30 1 199 ASN -0.18 -0.33 1 200 SER -1.17 0.27 1 207 MET 0.92 0.42 1 208 LYS 1.31 -1.41 1 stop_ save_