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 bmr27209_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -4.66 _LACS_plot.Line_1_terminator_val_y_1 -2.85 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.06 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.31 _LACS_plot.Line_2_terminator_val_x_2 8.15 _LACS_plot.Line_2_terminator_val_y_2 4.88 _LACS_plot.Y_axis_chem_shift_offset 0.90 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 179 ASP -3.86 0.22 0 162 LYS 2.50 -3.35 0 10 GLU 2.87 0.60 1 11 PHE 4.47 3.20 1 12 ARG 4.86 3.58 1 13 LYS 5.06 2.39 1 14 LEU 5.87 1.98 1 16 ALA 3.80 1.33 1 17 MET 3.50 2.77 1 18 VAL 6.46 3.94 1 19 ALA 2.70 1.20 1 20 ASP 0.62 -0.03 1 21 ASN -2.94 -1.27 1 23 SER -0.95 -2.12 1 27 LYS 5.65 4.56 1 28 THR 6.39 5.01 1 29 GLN 4.31 2.26 1 30 ILE 4.89 3.09 1 31 ILE 5.94 3.87 1 32 GLN 3.92 3.53 1 33 ASP 4.18 2.31 1 34 PHE 4.11 3.52 1 37 LYS 0.94 -0.02 1 42 ASP -0.30 -1.70 1 48 VAL 4.79 1.72 1 49 TYR -1.59 -1.62 1 52 VAL 6.92 3.81 1 53 LYS 4.79 2.84 1 54 LEU 3.57 1.20 1 55 LEU 0.11 -0.18 1 56 LEU -1.31 -1.95 1 59 VAL 1.81 0.43 1 60 ILE 2.45 -1.33 1 61 LYS 1.49 -0.54 1 62 THR 0.85 0.04 1 63 VAL 1.35 -0.42 1 66 LEU -4.66 -2.23 1 67 ASN -2.63 -3.16 1 68 ASP 5.97 3.78 1 69 LYS 5.41 2.59 1 70 GLN 2.77 1.97 1 71 ILE 7.08 4.87 1 72 VAL 6.55 3.44 1 73 LYS 5.02 2.92 1 74 LEU 4.88 2.09 1 75 PHE 8.15 4.50 1 76 SER 5.91 3.35 1 77 ARG 3.72 1.57 1 78 ILE 4.72 2.72 1 79 PHE -2.03 -4.47 1 80 ASN 3.07 0.12 1 82 ASN -0.08 -0.78 1 84 ASP 4.41 2.05 1 85 ASP 4.29 2.00 1 86 MET 3.73 3.09 1 87 ALA 4.23 1.62 1 88 ARG 4.68 2.20 1 89 ASP 1.54 2.27 1 90 LEU 3.21 0.82 1 91 GLU 3.25 1.10 1 92 GLN 2.68 0.57 1 94 ASP -1.05 -2.21 1 95 VAL 4.34 1.22 1 96 SER 4.87 2.48 1 97 GLU 0.98 -1.15 1 98 THR 5.72 4.28 1 99 ILE 6.60 0.44 1 100 ARG 6.75 4.36 1 101 VAL 5.32 3.13 1 102 PHE 6.60 4.02 1 103 PHE -1.08 -2.92 1 104 GLU 2.86 1.28 1 105 GLN -0.32 -1.26 1 106 SER 1.40 0.19 1 107 LYS 1.75 -0.24 1 108 SER 0.92 0.13 1 109 PHE -0.92 -0.20 1 112 ALA 1.21 -1.31 1 113 ALA 1.36 0.38 1 114 LYS -4.41 -3.14 1 115 SER 0.45 -1.89 1 116 LEU -2.98 -1.47 1 117 LEU 0.01 0.33 1 118 THR -3.62 -2.76 1 119 ILE 6.68 3.49 1 120 GLN 7.77 4.01 1 121 GLU 2.28 1.63 1 122 VAL 7.37 4.33 1 123 ASP 1.89 3.37 1 124 GLU 3.80 2.05 1 125 PHE 4.59 2.34 1 126 LEU 6.18 1.80 1 127 LEU 4.76 1.83 1 128 ARG 5.31 2.75 1 129 LEU 3.91 1.57 1 130 SER 2.91 2.04 1 131 LYS 0.30 -1.19 1 132 LEU -0.42 -1.34 1 133 THR -0.77 -0.95 1 134 LYS -1.00 -1.58 1 135 GLU 3.45 2.31 1 136 ASP 4.99 1.88 1 137 GLU 2.52 1.02 1 138 GLN 4.91 3.07 1 139 GLN 5.70 3.46 1 140 GLN 4.25 1.91 1 141 ALA 4.31 1.78 1 142 LEU 4.81 1.36 1 143 GLN 5.49 3.18 1 144 ASP 3.63 2.37 1 145 ILE 1.19 -0.93 1 146 ALA 3.87 2.17 1 147 SER 3.13 1.99 1 148 ARG -0.46 -1.46 1 150 THR -0.57 -0.98 1 151 ALA 6.35 3.34 1 152 ASN 3.81 1.48 1 153 ASP 4.87 3.36 1 154 LEU 3.89 1.27 1 155 LYS 4.60 3.20 1 157 ILE 6.76 4.26 1 158 ILE 6.33 0.38 1 159 ARG 7.78 4.63 1 160 LEU 5.27 2.83 1 161 ILE 4.56 2.21 1 163 HIS 3.41 0.26 1 164 ASP 0.19 -0.29 1 165 LEU 0.55 -0.20 1 166 LYS 5.87 0.13 1 167 MET -1.06 -1.07 1 168 ASN 2.95 0.15 1 169 SER -4.06 -2.34 1 171 ALA 4.16 1.92 1 172 LYS 5.11 2.79 1 173 HIS 3.13 3.60 1 174 VAL 4.00 2.31 1 175 LEU 6.26 2.19 1 176 ASP 3.55 1.57 1 177 ALA 1.66 0.30 1 178 LEU 1.72 0.73 1 181 ASN -0.95 -0.88 1 182 ALA 3.19 2.09 1 183 TYR 6.21 3.02 1 184 GLU 4.14 1.65 1 185 ALA 3.85 1.68 1 186 PHE 3.18 1.98 1 187 LYS 5.06 2.12 1 188 ALA 2.05 0.55 1 189 SER -0.97 -0.27 1 190 ARG 5.04 -0.37 1 191 ASN -0.96 -2.31 1 192 LEU 3.55 2.04 1 193 GLN 6.35 3.27 1 194 ASP 2.58 2.00 1 195 VAL 5.59 3.36 1 196 VAL 6.82 3.97 1 197 GLU 4.47 2.32 1 198 ARG 4.89 2.41 1 199 VAL 5.01 2.37 1 200 LEU 3.73 1.05 1 201 HIS 2.92 1.34 1 202 ASN 1.90 0.44 1 203 ALA 1.46 -0.05 1 204 GLN 1.21 -0.22 1 205 GLU 0.54 -0.65 1 206 VAL 1.31 -0.36 1 207 GLU 0.47 -0.79 1 208 LYS 0.78 -0.58 1 209 GLU 0.18 -0.73 1 212 GLN 0.61 -0.74 1 213 ARG 1.25 -0.54 1 214 ARG 0.68 -0.84 1 215 ALA 0.22 -1.01 1 216 LEU 0.71 -0.80 1 217 SER -0.38 -0.99 1 218 VAL 0.74 -0.81 1 219 GLN 0.38 -0.90 1 220 ALA 0.10 -0.93 1 221 SER -0.48 -0.95 1 222 LEU 1.48 0.85 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27209_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -4.66 _LACS_plot.Line_1_terminator_val_y_1 1.81 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -2.06 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.31 _LACS_plot.Line_2_terminator_val_x_2 8.15 _LACS_plot.Line_2_terminator_val_y_2 -3.27 _LACS_plot.Y_axis_chem_shift_offset 0.90 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 179 ASP -3.86 4.08 0 162 LYS 2.50 -5.85 0 10 GLU 2.87 -2.27 1 11 PHE 4.47 -1.27 1 12 ARG 4.86 -1.28 1 13 LYS 5.06 -2.67 1 14 LEU 5.87 -3.89 1 16 ALA 3.80 -2.47 1 17 MET 3.50 -0.73 1 18 VAL 6.46 -2.52 1 19 ALA 2.70 -1.50 1 20 ASP 0.62 -0.65 1 21 ASN -2.94 1.67 1 23 SER -0.95 -1.17 1 27 LYS 5.65 -1.09 1 28 THR 6.39 -1.38 1 29 GLN 4.31 -2.05 1 30 ILE 4.89 -1.80 1 31 ILE 5.94 -2.07 1 32 GLN 3.92 -0.39 1 33 ASP 4.18 -1.87 1 34 PHE 4.11 -0.59 1 37 LYS 0.94 -0.96 1 42 ASP -0.30 -1.40 1 48 VAL 4.79 -3.07 1 49 TYR -1.59 -0.03 1 52 VAL 6.92 -3.11 1 53 LYS 4.79 -1.95 1 54 LEU 3.57 -2.37 1 55 LEU 0.11 -0.29 1 56 LEU -1.31 -0.64 1 59 VAL 1.81 -1.38 1 60 ILE 2.45 -3.78 1 61 LYS 1.49 -2.03 1 62 THR 0.85 -0.81 1 63 VAL 1.35 -1.77 1 66 LEU -4.66 2.43 1 67 ASN -2.63 -0.53 1 68 ASP 5.97 -2.19 1 69 LYS 5.41 -2.82 1 70 GLN 2.77 -0.80 1 71 ILE 7.08 -2.21 1 72 VAL 6.55 -3.11 1 73 LYS 5.02 -2.10 1 74 LEU 4.88 -2.79 1 75 PHE 8.15 -3.65 1 76 SER 5.91 -2.56 1 77 ARG 3.72 -2.15 1 78 ILE 4.72 -2.00 1 79 PHE -2.03 -2.44 1 80 ASN 3.07 -2.95 1 82 ASN -0.08 -0.70 1 84 ASP 4.41 -2.36 1 85 ASP 4.29 -2.29 1 86 MET 3.73 -0.64 1 87 ALA 4.23 -2.61 1 88 ARG 4.68 -2.48 1 89 ASP 1.54 0.73 1 90 LEU 3.21 -2.39 1 91 GLU 3.25 -2.15 1 92 GLN 2.68 -2.11 1 94 ASP -1.05 -1.16 1 95 VAL 4.34 -3.12 1 96 SER 4.87 -2.39 1 97 GLU 0.98 -2.13 1 98 THR 5.72 -1.44 1 99 ILE 6.60 -6.16 1 100 ARG 6.75 -2.39 1 101 VAL 5.32 -2.19 1 102 PHE 6.60 -2.58 1 103 PHE -1.08 -1.84 1 104 GLU 2.86 -1.58 1 105 GLN -0.32 -0.94 1 106 SER 1.40 -1.21 1 107 LYS 1.75 -1.99 1 108 SER 0.92 -0.79 1 109 PHE -0.92 0.72 1 112 ALA 1.21 -2.52 1 113 ALA 1.36 -0.98 1 114 LYS -4.41 1.27 1 115 SER 0.45 -2.34 1 116 LEU -2.98 1.51 1 117 LEU 0.01 0.32 1 118 THR -3.62 0.86 1 119 ILE 6.68 -3.19 1 120 GLN 7.77 -3.76 1 121 GLU 2.28 -0.65 1 122 VAL 7.37 -3.04 1 123 ASP 1.89 1.48 1 124 GLU 3.80 -1.75 1 125 PHE 4.59 -2.25 1 126 LEU 6.18 -4.38 1 127 LEU 4.76 -2.93 1 128 ARG 5.31 -2.56 1 129 LEU 3.91 -2.34 1 130 SER 2.91 -0.87 1 131 LYS 0.30 -1.49 1 132 LEU -0.42 -0.92 1 133 THR -0.77 -0.18 1 134 LYS -1.00 -0.58 1 135 GLU 3.45 -1.14 1 136 ASP 4.99 -3.11 1 137 GLU 2.52 -1.50 1 138 GLN 4.91 -1.84 1 139 GLN 5.70 -2.24 1 140 GLN 4.25 -2.34 1 141 ALA 4.31 -2.53 1 142 LEU 4.81 -3.45 1 143 GLN 5.49 -2.31 1 144 ASP 3.63 -1.26 1 145 ILE 1.19 -2.12 1 146 ALA 3.87 -1.70 1 147 SER 3.13 -1.14 1 148 ARG -0.46 -1.00 1 150 THR -0.57 -0.41 1 151 ALA 6.35 -3.01 1 152 ASN 3.81 -2.33 1 153 ASP 4.87 -1.51 1 154 LEU 3.89 -2.62 1 155 LYS 4.60 -1.40 1 157 ILE 6.76 -2.50 1 158 ILE 6.33 -5.95 1 159 ARG 7.78 -3.15 1 160 LEU 5.27 -2.44 1 161 ILE 4.56 -2.35 1 163 HIS 3.41 -3.15 1 164 ASP 0.19 -0.48 1 165 LEU 0.55 -0.75 1 166 LYS 5.87 -5.74 1 167 MET -1.06 -0.01 1 168 ASN 2.95 -2.80 1 169 SER -4.06 1.72 1 171 ALA 4.16 -2.24 1 172 LYS 5.11 -2.32 1 173 HIS 3.13 0.47 1 174 VAL 4.00 -1.69 1 175 LEU 6.26 -4.07 1 176 ASP 3.55 -1.98 1 177 ALA 1.66 -1.36 1 178 LEU 1.72 -0.99 1 181 ASN -0.95 0.07 1 182 ALA 3.19 -1.10 1 183 TYR 6.21 -3.19 1 184 GLU 4.14 -2.49 1 185 ALA 3.85 -2.17 1 186 PHE 3.18 -1.20 1 187 LYS 5.06 -2.94 1 188 ALA 2.05 -1.50 1 189 SER -0.97 0.70 1 190 ARG 5.04 -5.41 1 191 ASN -0.96 -1.35 1 192 LEU 3.55 -1.51 1 193 GLN 6.35 -3.08 1 194 ASP 2.58 -0.58 1 195 VAL 5.59 -2.23 1 196 VAL 6.82 -2.85 1 197 GLU 4.47 -2.15 1 198 ARG 4.89 -2.48 1 199 VAL 5.01 -2.64 1 200 LEU 3.73 -2.68 1 201 HIS 2.92 -1.58 1 202 ASN 1.90 -1.46 1 203 ALA 1.46 -1.51 1 204 GLN 1.21 -1.43 1 205 GLU 0.54 -1.19 1 206 VAL 1.31 -1.67 1 207 GLU 0.47 -1.26 1 208 LYS 0.78 -1.36 1 209 GLU 0.18 -0.91 1 212 GLN 0.61 -1.35 1 213 ARG 1.25 -1.79 1 214 ARG 0.68 -1.52 1 215 ALA 0.22 -1.23 1 216 LEU 0.71 -1.51 1 217 SER -0.38 -0.61 1 218 VAL 0.74 -1.55 1 219 GLN 0.38 -1.28 1 220 ALA 0.10 -1.03 1 221 SER -0.48 -0.47 1 222 LEU 1.48 -0.63 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27209_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -4.66 _LACS_plot.Line_1_terminator_val_y_1 -1.62 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.37 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.64 _LACS_plot.Line_2_terminator_val_x_2 8.15 _LACS_plot.Line_2_terminator_val_y_2 1.74 _LACS_plot.Y_axis_chem_shift_offset 0.20 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 109 PHE -0.92 -6.20 0 10 GLU 2.87 1.47 1 11 PHE 4.47 1.06 1 12 ARG 4.86 2.56 1 13 LYS 5.06 0.81 1 14 LEU 5.87 -0.18 1 16 ALA 3.80 1.17 1 17 MET 3.50 2.58 1 18 VAL 6.46 1.75 1 19 ALA 2.70 0.61 1 20 ASP 0.62 -1.38 1 21 ASN -2.94 -0.85 1 23 SER -0.95 0.83 1 27 LYS 5.65 0.86 1 28 THR 6.39 0.16 1 29 GLN 4.31 1.12 1 30 ILE 4.89 2.65 1 31 ILE 5.94 0.09 1 32 GLN 3.92 1.16 1 33 ASP 4.18 1.85 1 37 LYS 0.94 0.31 1 42 ASP -0.30 -0.61 1 48 VAL 4.79 2.26 1 49 TYR -1.59 2.70 1 52 VAL 6.92 -0.74 1 53 LYS 4.79 3.18 1 54 LEU 3.57 -1.17 1 55 LEU 0.11 -1.44 1 56 LEU -1.31 -0.68 1 59 VAL 1.81 -0.60 1 60 ILE 2.45 -1.10 1 61 LYS 1.49 -1.20 1 62 THR 0.85 -2.38 1 63 VAL 1.35 -1.63 1 66 LEU -4.66 -2.71 1 67 ASN -2.63 -0.29 1 68 ASP 5.97 1.05 1 69 LYS 5.41 2.77 1 70 GLN 2.77 1.60 1 71 ILE 7.08 1.06 1 72 VAL 6.55 0.40 1 73 LYS 5.02 2.72 1 74 LEU 4.88 1.30 1 75 PHE 8.15 1.16 1 76 SER 5.91 1.61 1 77 ARG 3.72 2.10 1 78 ILE 4.72 0.35 1 79 PHE -2.03 0.69 1 80 ASN 3.07 -2.02 1 82 ASN -0.08 1.15 1 84 ASP 4.41 2.33 1 85 ASP 4.29 2.56 1 86 MET 3.73 0.31 1 87 ALA 4.23 2.29 1 88 ARG 4.68 2.67 1 89 ASP 1.54 2.25 1 90 LEU 3.21 0.84 1 91 GLU 3.25 0.81 1 92 GLN 2.68 1.92 1 94 ASP -1.05 -0.51 1 95 VAL 4.34 -2.20 1 96 SER 4.87 -0.82 1 97 GLU 0.98 0.63 1 98 THR 5.72 1.30 1 99 ILE 6.60 -0.24 1 100 ARG 6.75 0.94 1 101 VAL 5.32 2.63 1 102 PHE 6.60 0.93 1 103 PHE -1.08 1.97 1 104 GLU 2.86 1.28 1 105 GLN -0.32 -0.54 1 106 SER 1.40 1.24 1 107 LYS 1.75 1.01 1 108 SER 0.92 -0.77 1 112 ALA 1.21 -0.91 1 113 ALA 1.36 -0.52 1 114 LYS -4.41 -3.13 1 115 SER 0.45 -1.07 1 116 LEU -2.98 0.16 1 117 LEU 0.01 0.25 1 118 THR -3.62 1.27 1 119 ILE 6.68 0.76 1 120 GLN 7.77 2.24 1 121 GLU 2.28 3.41 1 122 VAL 7.37 -0.43 1 123 ASP 1.89 1.13 1 124 GLU 3.80 2.26 1 125 PHE 4.59 -0.32 1 126 LEU 6.18 1.46 1 127 LEU 4.76 2.73 1 128 ARG 5.31 2.67 1 129 LEU 3.91 1.62 1 130 SER 2.91 -0.66 1 131 LYS 0.30 -0.31 1 132 LEU -0.42 -1.45 1 133 THR -0.77 -0.47 1 134 LYS -1.00 0.54 1 135 GLU 3.45 0.89 1 136 ASP 4.99 2.45 1 137 GLU 2.52 3.04 1 138 GLN 4.91 1.01 1 139 GLN 5.70 0.60 1 140 GLN 4.25 1.28 1 141 ALA 4.31 1.77 1 142 LEU 4.81 -0.22 1 143 GLN 5.49 1.10 1 144 ASP 3.63 2.96 1 145 ILE 1.19 1.06 1 146 ALA 3.87 1.14 1 147 SER 3.13 -0.13 1 148 ARG -0.46 -0.73 1 150 THR -0.57 0.71 1 151 ALA 6.35 1.71 1 152 ASN 3.81 3.69 1 153 ASP 4.87 0.30 1 154 LEU 3.89 -0.39 1 155 LYS 4.60 -0.11 1 157 ILE 6.76 0.68 1 158 ILE 6.33 0.77 1 159 ARG 7.78 1.50 1 160 LEU 5.27 4.29 1 161 ILE 4.56 -0.32 1 162 LYS 2.50 -1.28 1 163 HIS 3.41 -0.55 1 164 ASP 0.19 -1.98 1 165 LEU 0.55 -1.79 1 166 LYS 5.87 -0.93 1 167 MET -1.06 -1.35 1 168 ASN 2.95 -3.19 1 169 SER -4.06 -0.67 1 171 ALA 4.16 0.43 1 172 LYS 5.11 -0.78 1 173 HIS 3.13 3.41 1 174 VAL 4.00 0.14 1 175 LEU 6.26 1.10 1 176 ASP 3.55 1.00 1 177 ALA 1.66 -0.53 1 178 LEU 1.72 -1.97 1 179 ASP -3.86 -1.13 1 181 ASN -0.95 0.31 1 182 ALA 3.19 0.10 1 183 TYR 6.21 1.00 1 184 GLU 4.14 2.57 1 185 ALA 3.85 2.22 1 186 PHE 3.18 1.13 1 187 LYS 5.06 0.71 1 188 ALA 2.05 0.27 1 189 SER -0.97 -0.04 1 190 ARG 5.04 -1.86 1 191 ASN -0.96 -1.06 1 192 LEU 3.55 -0.67 1 193 GLN 6.35 1.16 1 194 ASP 2.58 1.40 1 195 VAL 5.59 1.34 1 196 VAL 6.82 0.57 1 197 GLU 4.47 2.25 1 198 ARG 4.89 2.42 1 199 VAL 5.01 2.07 1 200 LEU 3.73 1.01 1 201 HIS 2.92 1.21 1 202 ASN 1.90 0.17 1 203 ALA 1.46 -0.07 1 204 GLN 1.21 0.06 1 205 GLU 0.54 -0.17 1 206 VAL 1.31 -0.35 1 207 GLU 0.47 -0.62 1 208 LYS 0.78 -0.59 1 209 GLU 0.18 -0.80 1 212 GLN 0.61 -0.34 1 213 ARG 1.25 -0.37 1 214 ARG 0.68 -0.78 1 215 ALA 0.22 -0.64 1 216 LEU 0.71 -0.62 1 217 SER -0.38 -0.63 1 218 VAL 0.74 -0.69 1 219 GLN 0.38 -0.98 1 220 ALA 0.10 -0.83 1 221 SER -0.48 -1.62 1 222 LEU 1.48 4.41 1 stop_ save_