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 bmr25697_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.77 _LACS_plot.Line_1_terminator_val_y_1 -3.62 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.36 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.38 _LACS_plot.Line_2_terminator_val_x_2 8.63 _LACS_plot.Line_2_terminator_val_y_2 5.57 _LACS_plot.Y_axis_chem_shift_offset 0.96 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 203 HIS -1.87 1.36 0 88 ASN 2.75 4.11 0 108 GLN 4.57 -0.59 0 14 ALA -6.60 -1.92 0 27 ILE 2.36 -2.17 0 10 GLU -4.18 -2.85 1 11 ASN 1.73 0.49 1 12 VAL 2.07 0.81 1 13 THR -3.41 -1.60 1 15 PHE -2.79 -1.44 1 16 TRP 0.49 1.03 1 17 GLU -3.56 -2.60 1 18 GLU 2.40 0.52 1 23 VAL 1.12 -1.46 1 24 LEU -5.63 -2.69 1 25 LYS -3.08 -1.79 1 26 ASP 2.33 0.11 1 28 ASN -5.10 -1.37 1 29 PHE 0.92 0.07 1 30 LYS -2.49 -1.11 1 31 ILE -3.27 -2.33 1 32 GLU -2.17 -2.38 1 33 ARG 3.44 1.04 1 35 GLN -0.22 0.02 1 36 LEU -2.03 -2.19 1 37 LEU -3.33 -2.97 1 38 ALA -4.41 -3.55 1 39 VAL -2.02 -2.16 1 40 ALA -7.27 -3.55 1 42 SER -0.31 -0.49 1 43 THR 3.18 1.01 1 45 ALA 1.56 1.95 1 47 LYS 8.41 3.02 1 48 THR 7.63 4.94 1 49 SER 8.64 5.68 1 50 LEU 5.73 3.34 1 51 LEU 6.39 2.58 1 52 MET 3.29 1.23 1 53 MET 3.35 2.25 1 54 ILE 6.50 3.43 1 55 MET 0.91 0.23 1 57 GLU 0.20 -0.20 1 58 LEU -2.06 -2.64 1 59 GLU -1.40 -1.38 1 61 SER 2.09 1.13 1 62 GLU -4.90 -2.12 1 64 LYS -4.36 -1.95 1 65 ILE -2.88 -2.35 1 66 LYS -2.80 -1.76 1 67 HIS -1.29 0.65 1 68 SER -0.51 -0.67 1 70 ARG 0.64 -0.85 1 71 ILE -3.44 -1.63 1 72 SER -2.79 -3.04 1 73 PHE -5.69 -3.41 1 84 THR -2.23 -1.14 1 85 ILE 7.18 5.27 1 86 LYS 5.12 3.40 1 87 GLU 3.29 1.78 1 89 ILE 4.41 3.42 1 90 ILE 4.34 0.69 1 91 PHE 1.90 1.01 1 93 VAL -0.50 -1.83 1 94 SER 1.69 0.50 1 95 TYR 1.97 0.74 1 96 ASP -3.52 -2.12 1 97 GLU 3.76 2.60 1 98 TYR 5.08 2.77 1 99 ARG 4.68 2.77 1 100 TYR 4.24 3.69 1 101 ARG 5.00 2.21 1 102 SER 5.33 3.05 1 103 VAL 6.52 3.92 1 104 ILE 6.04 2.88 1 105 LYS 4.24 2.33 1 106 ALA 2.96 1.92 1 109 LEU -3.39 -1.20 1 110 GLU 4.08 3.31 1 111 GLU 4.21 1.96 1 112 ASP 3.48 2.39 1 113 ILE 6.09 3.77 1 114 SER 3.27 1.83 1 115 LYS 1.29 -0.18 1 116 PHE -1.05 -1.89 1 117 ALA 4.50 2.82 1 118 GLU -0.16 -2.51 1 119 LYS 5.06 -0.02 1 120 ASP 3.61 0.27 1 121 ASN 0.51 -0.97 1 122 THR 3.36 2.48 1 123 VAL 3.04 1.14 1 124 LEU -2.21 -2.83 1 126 GLU 2.12 0.62 1 131 LEU -2.19 -2.20 1 132 SER -2.60 -1.89 1 135 GLN 3.97 3.17 1 136 ARG 5.29 3.61 1 137 ALA 3.36 1.87 1 138 ARG 6.18 4.38 1 139 ILE 5.93 3.16 1 140 SER 4.24 2.39 1 146 TYR 4.88 3.59 1 147 LYS 1.90 0.38 1 148 ASP 0.94 -0.04 1 149 ALA -4.14 -3.14 1 150 ASP -0.09 0.81 1 151 LEU -2.95 -2.13 1 152 TYR -2.10 -1.65 1 153 LEU -1.87 -3.04 1 154 LEU -2.23 -2.99 1 155 ASP -0.83 -2.26 1 156 SER 0.93 -1.79 1 161 LEU -1.59 -1.86 1 162 ASP -1.36 -1.60 1 163 VAL 4.86 2.64 1 164 LEU 4.88 2.13 1 165 THR 7.32 4.14 1 166 GLU 3.90 2.78 1 167 LYS 4.56 2.82 1 168 GLU 3.29 1.64 1 169 ILE 4.90 2.92 1 170 PHE 6.64 4.43 1 171 GLU 3.90 2.44 1 172 SER 4.50 2.92 1 174 VAL 7.79 3.70 1 176 LYS 3.50 1.79 1 177 LEU 5.01 3.25 1 178 MET -0.69 -1.56 1 179 ALA 2.72 1.58 1 180 ASN 0.99 -0.47 1 181 LYS -4.37 -4.11 1 183 ARG -5.51 -2.21 1 184 ILE -0.24 -1.16 1 185 LEU -6.74 -3.34 1 186 VAL 0.76 -1.29 1 187 THR -0.76 -3.12 1 188 SER -2.25 -2.04 1 189 LYS 1.36 -2.02 1 190 MET 4.61 2.22 1 191 GLU 3.76 1.84 1 192 HIS -1.99 -0.14 1 193 LEU 5.80 2.52 1 194 LYS 3.28 1.52 1 195 LYS -0.95 -2.07 1 196 ALA -0.54 -0.89 1 197 ASP 2.26 2.98 1 198 LYS -7.77 -3.33 1 199 ILE -4.55 -1.97 1 200 LEU -5.29 -2.44 1 201 ILE -1.07 -2.37 1 202 LEU -4.87 -2.84 1 204 GLU 3.39 -0.19 1 206 SER -2.88 -1.83 1 207 SER 0.73 -1.50 1 208 TYR 1.11 0.83 1 209 PHE -2.11 0.31 1 210 TYR -4.06 -3.19 1 212 THR -2.86 -1.99 1 213 PHE 5.95 4.16 1 214 SER 4.69 2.47 1 215 GLU 2.84 1.44 1 216 LEU 5.25 1.76 1 217 GLN 3.17 1.48 1 218 ASN 1.31 0.90 1 219 LEU 0.97 0.44 1 220 GLN 0.42 -0.93 1 222 ASP 0.90 -0.93 1 223 PHE 3.35 1.52 1 224 SER 2.75 1.06 1 225 SER 2.74 1.15 1 226 LYS 1.85 -0.20 1 227 LEU 1.05 -0.47 1 228 MET -0.06 -0.77 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25697_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.77 _LACS_plot.Line_1_terminator_val_y_1 4.15 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -2.36 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.38 _LACS_plot.Line_2_terminator_val_x_2 8.63 _LACS_plot.Line_2_terminator_val_y_2 -3.06 _LACS_plot.Y_axis_chem_shift_offset 0.96 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 203 HIS -1.87 3.23 0 88 ASN 2.75 1.36 0 108 GLN 4.57 -5.16 0 14 ALA -6.60 4.68 0 27 ILE 2.36 -4.53 0 10 GLU -4.18 1.33 1 11 ASN 1.73 -1.24 1 12 VAL 2.07 -1.26 1 13 THR -3.41 1.81 1 15 PHE -2.79 1.35 1 16 TRP 0.49 0.54 1 17 GLU -3.56 0.96 1 18 GLU 2.40 -1.88 1 23 VAL 1.12 -2.58 1 24 LEU -5.63 2.94 1 25 LYS -3.08 1.29 1 26 ASP 2.33 -2.22 1 28 ASN -5.10 3.73 1 29 PHE 0.92 -0.85 1 30 LYS -2.49 1.38 1 31 ILE -3.27 0.94 1 32 GLU -2.17 -0.21 1 33 ARG 3.44 -2.40 1 35 GLN -0.22 0.24 1 36 LEU -2.03 -0.16 1 37 LEU -3.33 0.36 1 38 ALA -4.41 0.86 1 39 VAL -2.02 -0.14 1 40 ALA -7.27 3.72 1 42 SER -0.31 -0.18 1 43 THR 3.18 -2.17 1 45 ALA 1.56 0.39 1 47 LYS 8.41 -5.39 1 48 THR 7.63 -2.69 1 49 SER 8.64 -2.96 1 50 LEU 5.73 -2.39 1 51 LEU 6.39 -3.81 1 52 MET 3.29 -2.06 1 53 MET 3.35 -1.10 1 54 ILE 6.50 -3.07 1 55 MET 0.91 -0.68 1 57 GLU 0.20 -0.40 1 58 LEU -2.06 -0.58 1 59 GLU -1.40 0.02 1 61 SER 2.09 -0.96 1 62 GLU -4.90 2.78 1 64 LYS -4.36 2.41 1 65 ILE -2.88 0.53 1 66 LYS -2.80 1.04 1 67 HIS -1.29 1.94 1 68 SER -0.51 -0.16 1 70 ARG 0.64 -1.49 1 71 ILE -3.44 1.81 1 72 SER -2.79 -0.25 1 73 PHE -5.69 2.28 1 84 THR -2.23 1.09 1 85 ILE 7.18 -1.91 1 86 LYS 5.12 -1.72 1 87 GLU 3.29 -1.51 1 89 ILE 4.41 -0.99 1 90 ILE 4.34 -3.65 1 91 PHE 1.90 -0.89 1 93 VAL -0.50 -1.33 1 94 SER 1.69 -1.19 1 95 TYR 1.97 -1.23 1 96 ASP -3.52 1.40 1 97 GLU 3.76 -1.16 1 98 TYR 5.08 -2.31 1 99 ARG 4.68 -1.91 1 100 TYR 4.24 -0.55 1 101 ARG 5.00 -2.79 1 102 SER 5.33 -2.28 1 103 VAL 6.52 -2.60 1 104 ILE 6.04 -3.16 1 105 LYS 4.24 -1.91 1 106 ALA 2.96 -1.04 1 109 LEU -3.39 2.19 1 110 GLU 4.08 -0.77 1 111 GLU 4.21 -2.25 1 112 ASP 3.48 -1.09 1 113 ILE 6.09 -2.32 1 114 SER 3.27 -1.44 1 115 LYS 1.29 -1.47 1 116 PHE -1.05 -0.84 1 117 ALA 4.50 -1.68 1 118 GLU -0.16 -2.35 1 119 LYS 5.06 -5.08 1 120 ASP 3.61 -3.34 1 121 ASN 0.51 -1.48 1 122 THR 3.36 -0.88 1 123 VAL 3.04 -1.90 1 124 LEU -2.21 -0.62 1 126 GLU 2.12 -1.50 1 131 LEU -2.19 -0.01 1 132 SER -2.60 0.71 1 135 GLN 3.97 -0.80 1 136 ARG 5.29 -1.68 1 137 ALA 3.36 -1.49 1 138 ARG 6.18 -1.80 1 139 ILE 5.93 -2.77 1 140 SER 4.24 -1.85 1 146 TYR 4.88 -1.29 1 147 LYS 1.90 -1.52 1 148 ASP 0.94 -0.98 1 149 ALA -4.14 1.00 1 150 ASP -0.09 0.90 1 151 LEU -2.95 0.82 1 152 TYR -2.10 0.45 1 153 LEU -1.87 -1.17 1 154 LEU -2.23 -0.76 1 155 ASP -0.83 -1.43 1 156 SER 0.93 -2.72 1 161 LEU -1.59 -0.27 1 162 ASP -1.36 -0.24 1 163 VAL 4.86 -2.22 1 164 LEU 4.88 -2.75 1 165 THR 7.32 -3.18 1 166 GLU 3.90 -1.12 1 167 LYS 4.56 -1.74 1 168 GLU 3.29 -1.65 1 169 ILE 4.90 -1.98 1 170 PHE 6.64 -2.21 1 171 GLU 3.90 -1.46 1 172 SER 4.50 -1.58 1 174 VAL 7.79 -4.09 1 176 LYS 3.50 -1.71 1 177 LEU 5.01 -1.76 1 178 MET -0.69 -0.87 1 179 ALA 2.72 -1.14 1 180 ASN 0.99 -1.46 1 181 LYS -4.37 0.26 1 183 ARG -5.51 3.30 1 184 ILE -0.24 -0.92 1 185 LEU -6.74 3.40 1 186 VAL 0.76 -2.05 1 187 THR -0.76 -2.36 1 188 SER -2.25 0.21 1 189 LYS 1.36 -3.38 1 190 MET 4.61 -2.39 1 191 GLU 3.76 -1.92 1 192 HIS -1.99 1.85 1 193 LEU 5.80 -3.28 1 194 LYS 3.28 -1.76 1 195 LYS -0.95 -1.12 1 196 ALA -0.54 -0.35 1 197 ASP 2.26 0.72 1 198 LYS -7.77 4.44 1 199 ILE -4.55 2.58 1 200 LEU -5.29 2.85 1 201 ILE -1.07 -1.30 1 202 LEU -4.87 2.03 1 204 GLU 3.39 -3.58 1 206 SER -2.88 1.05 1 207 SER 0.73 -2.23 1 208 TYR 1.11 -0.28 1 209 PHE -2.11 2.42 1 210 TYR -4.06 0.87 1 212 THR -2.86 0.87 1 213 PHE 5.95 -1.79 1 214 SER 4.69 -2.22 1 215 GLU 2.84 -1.40 1 216 LEU 5.25 -3.49 1 217 GLN 3.17 -1.69 1 218 ASN 1.31 -0.41 1 219 LEU 0.97 -0.53 1 220 GLN 0.42 -1.35 1 222 ASP 0.90 -1.83 1 223 PHE 3.35 -1.83 1 224 SER 2.75 -1.69 1 225 SER 2.74 -1.59 1 226 LYS 1.85 -2.05 1 227 LEU 1.05 -1.52 1 228 MET -0.06 -0.71 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25697_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.77 _LACS_plot.Line_1_terminator_val_y_1 -3.51 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.09 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.31 _LACS_plot.Line_2_terminator_val_x_2 8.63 _LACS_plot.Line_2_terminator_val_y_2 2.10 _LACS_plot.Y_axis_chem_shift_offset 0.66 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 84 THR -2.23 2.97 0 192 HIS -1.99 3.24 0 10 GLU -4.18 -3.37 1 11 ASN 1.73 -1.03 1 12 VAL 2.07 -0.19 1 13 THR -3.41 -2.12 1 14 ALA -6.60 -4.23 1 15 PHE -2.79 -0.98 1 16 TRP 0.49 0.77 1 17 GLU -3.56 -1.31 1 18 GLU 2.40 0.87 1 23 VAL 1.12 -3.59 1 24 LEU -5.63 -2.37 1 25 LYS -3.08 -3.91 1 26 ASP 2.33 -3.16 1 27 ILE 2.36 -0.72 1 28 ASN -5.10 -1.28 1 29 PHE 0.92 -3.80 1 30 LYS -2.49 -2.04 1 31 ILE -3.27 -1.71 1 32 GLU -2.17 -1.52 1 33 ARG 3.44 1.62 1 35 GLN -0.22 -2.66 1 40 ALA -7.27 -2.08 1 42 SER -0.31 -0.68 1 43 THR 3.18 0.92 1 45 ALA 1.56 -1.84 1 47 LYS 8.41 0.78 1 48 THR 7.63 2.80 1 49 SER 8.64 -0.80 1 50 LEU 5.73 0.83 1 52 MET 3.29 2.50 1 53 MET 3.35 3.47 1 54 ILE 6.50 -0.83 1 55 MET 0.91 -0.58 1 57 GLU 0.20 -2.55 1 58 LEU -2.06 -3.58 1 61 SER 2.09 -0.52 1 62 GLU -4.90 -2.34 1 64 LYS -4.36 -2.89 1 65 ILE -2.88 -1.70 1 66 LYS -2.80 -2.01 1 67 HIS -1.29 -0.33 1 68 SER -0.51 0.07 1 70 ARG 0.64 -0.28 1 71 ILE -3.44 -0.67 1 72 SER -2.79 -2.24 1 73 PHE -5.69 -2.51 1 85 ILE 7.18 0.01 1 86 LYS 5.12 1.81 1 87 GLU 3.29 3.25 1 88 ASN 2.75 0.34 1 90 ILE 4.34 -0.20 1 93 VAL -0.50 -1.05 1 94 SER 1.69 0.80 1 95 TYR 1.97 -2.99 1 96 ASP -3.52 -2.08 1 97 GLU 3.76 0.08 1 98 TYR 5.08 3.19 1 99 ARG 4.68 2.05 1 100 TYR 4.24 0.55 1 101 ARG 5.00 3.03 1 102 SER 5.33 2.04 1 104 ILE 6.04 1.60 1 105 LYS 4.24 3.56 1 106 ALA 2.96 0.67 1 108 GLN 4.57 -0.21 1 109 LEU -3.39 -0.80 1 110 GLU 4.08 2.10 1 111 GLU 4.21 2.10 1 112 ASP 3.48 1.65 1 113 ILE 6.09 0.58 1 114 SER 3.27 0.26 1 115 LYS 1.29 0.90 1 116 PHE -1.05 2.94 1 117 ALA 4.50 1.47 1 118 GLU -0.16 -0.44 1 119 LYS 5.06 1.31 1 120 ASP 3.61 -2.26 1 121 ASN 0.51 -1.93 1 122 THR 3.36 -1.90 1 123 VAL 3.04 -2.06 1 124 LEU -2.21 -0.57 1 126 GLU 2.12 1.09 1 131 LEU -2.19 -0.52 1 135 GLN 3.97 2.02 1 136 ARG 5.29 2.09 1 137 ALA 3.36 3.28 1 138 ARG 6.18 1.41 1 139 ILE 5.93 -0.46 1 146 TYR 4.88 0.87 1 147 LYS 1.90 -1.56 1 148 ASP 0.94 -2.97 1 149 ALA -4.14 -4.04 1 150 ASP -0.09 -1.55 1 154 LEU -2.23 -4.58 1 155 ASP -0.83 -3.91 1 161 LEU -1.59 -0.93 1 162 ASP -1.36 -0.77 1 163 VAL 4.86 1.72 1 164 LEU 4.88 -0.91 1 165 THR 7.32 1.28 1 166 GLU 3.90 -0.59 1 167 LYS 4.56 2.14 1 168 GLU 3.29 2.87 1 169 ILE 4.90 2.76 1 170 PHE 6.64 0.81 1 171 GLU 3.90 1.23 1 172 SER 4.50 1.21 1 174 VAL 7.79 -0.10 1 176 LYS 3.50 0.69 1 177 LEU 5.01 1.02 1 178 MET -0.69 -2.13 1 179 ALA 2.72 -0.70 1 180 ASN 0.99 -0.54 1 181 LYS -4.37 -0.83 1 186 VAL 0.76 -1.24 1 187 THR -0.76 -4.10 1 188 SER -2.25 -0.95 1 189 LYS 1.36 0.76 1 190 MET 4.61 1.08 1 191 GLU 3.76 1.08 1 193 LEU 5.80 0.13 1 194 LYS 3.28 0.58 1 195 LYS -0.95 -1.05 1 196 ALA -0.54 -1.26 1 197 ASP 2.26 0.53 1 198 LYS -7.77 -3.48 1 201 ILE -1.07 -0.80 1 202 LEU -4.87 -1.22 1 203 HIS -1.87 0.71 1 204 GLU 3.39 -0.56 1 206 SER -2.88 -1.21 1 207 SER 0.73 -0.54 1 208 TYR 1.11 -0.37 1 210 TYR -4.06 -2.39 1 212 THR -2.86 0.62 1 213 PHE 5.95 0.89 1 214 SER 4.69 2.39 1 215 GLU 2.84 1.71 1 216 LEU 5.25 -0.02 1 217 GLN 3.17 0.82 1 218 ASN 1.31 0.61 1 219 LEU 0.97 -0.35 1 222 ASP 0.90 0.35 1 223 PHE 3.35 0.33 1 224 SER 2.75 0.82 1 225 SER 2.74 0.72 1 226 LYS 1.85 0.01 1 227 LEU 1.05 -1.06 1 228 MET -0.06 -1.01 1 stop_ save_